data_r5ch8sf
# 
_audit.revision_id     1_0 
_audit.creation_date   2016-04-20 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5ch8 
_cell.length_a      33.3300 
_cell.length_b      44.5200 
_cell.length_c      44.7600 
_cell.angle_alpha   61.2650 
_cell.angle_beta    68.6500 
_cell.angle_gamma   78.1700 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97852 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.617 
_diffrn_reflns.pdbx_d_res_low    39.011 
_diffrn_reflns.limit_h_max       20 
_diffrn_reflns.limit_h_min       -18 
_diffrn_reflns.limit_k_max       27 
_diffrn_reflns.limit_k_min       -24 
_diffrn_reflns.limit_l_max       27 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            26871 
_diffrn_reflns.pdbx_number_obs   25794 
# 
_entry.id   5ch8 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5ch8 
_symmetry.space_group_name_H-M   "P 1" 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   "X,  Y,  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 -18 -7  1  o 48.085  1.4848 114.291  7.0469  119.957  12.923  111.894  8.4068  49.101  2.6765 47.560  1.7908 1.541248       3.220357  
1 1 1 -18 -6  1  o 38.281  3.6027 73.609   13.453  67.267   30.877  75.095   14.946  35.290  8.8736 38.596  3.9804 -3.305382      9.725408  
1 1 1 -18 -5  1  o 30.961  1.2905 47.360   3.9437  43.345   9.4807  48.201   4.3367  29.340  3.3329 31.231  1.4068 -1.890944      3.617698  
1 1 1 -18 -5  2  o 139.356 4.2447 971.187  58.385  986.725  61.984  848.930  173.871 140.364 4.4740 121.188 14.846 19.17638       15.50563  
1 1 1 -18 -4  1  o 100.095 1.6184 495.340  15.990  504.571  21.621  484.195  23.756  100.952 2.1698 98.852  2.4347 2.100166       3.261293  
1 1 1 -18 -4  2  o 29.996  1.3281 44.461   3.9320  45.826   4.2321  35.852   10.630  30.450  1.4081 26.470  4.2098 3.980585       4.439072  
1 1 1 -18 -3  1  o 104.830 1.9037 543.680  19.697  543.294  27.975  544.060  27.739  104.661 2.7080 104.740 2.6832 -0.7851410E-01 3.812171  
1 1 1 -18 -3  2  o 70.195  1.4972 243.568  10.373  246.431  15.159  241.046  14.225  70.544  2.1771 69.780  2.0654 0.7632675      3.000896  
1 1 1 -18 -3  3  o 121.031 1.9224 725.013  22.965  713.750  32.552  736.173  32.403  119.906 2.7504 121.789 2.6955 -1.883072      3.851065  
1 1 1 -18 -2  1  o 17.183  4.3969 15.324   7.4881  15.071   10.223  15.618   10.999  17.339  5.3968 17.715  5.6104 -0.3761158     7.784752  
1 1 1 -18 -2  2  o 37.553  1.0039 69.649   3.7210  71.140   4.6808  67.090   6.1332  37.945  1.2498 36.833  1.6870 1.112926       2.099520  
1 1 1 -18 -2  3  o 56.750  1.2196 159.124  6.8315  161.285  9.9060  157.164  9.4337  57.098  1.7577 56.369  1.6955 0.7295227      2.442200  
1 1 1 -18 -1  1  o 60.149  1.4387 178.806  8.5413  186.092  10.739  166.262  14.091  61.339  1.7738 57.919  2.4648 3.419353       3.036715  
1 1 1 -18 -1  2  o 43.995  1.0577 95.602   4.5932  97.357   5.7966  92.641   7.5296  44.387  1.3231 43.277  1.7627 1.109623       2.204014  
1 1 1 -18 -1  3  o 16.643  1.1160 13.744   1.8226  7.0473   2.5273  21.001   2.6308  11.729  2.2650 20.574  1.3022 -8.844643      2.612660  
1 1 1 -18 0   1  o 37.349  1.1670 68.910   4.3019  68.479   4.4495  75.084   16.845  37.231  1.2108 38.472  4.5222 -1.241299      4.681535  
1 1 1 -18 0   2  o 61.977  1.8608 190.058  11.383  193.960  11.736  127.994  46.801  62.607  1.8992 48.342  10.133 14.26487       10.30902  
1 1 1 -18 0   3  o 20.357  6.7663 20.314   15.890  23.216   20.804  16.251   24.618  22.169  7.7344 21.229  8.2288 0.9401722      11.29312  
1 1 1 -18 1   1  o 41.668  6.5649 90.336   26.107  95.239   37.150  85.553   36.695  41.901  9.2318 39.598  9.5085 2.303471       13.25285  
1 1 1 -18 1   2  o 103.711 6.3589 549.256  64.779  541.196  91.354  557.408  91.872  101.085 9.2589 102.669 9.1622 -1.584480      13.02584  
1 1 1 -18 1   3  o 107.691 6.4062 593.558  67.787  570.100  95.265  617.616  96.476  103.417 9.4367 107.906 9.1442 -4.489067      13.14027  
1 1 1 -18 2   1  o 87.883  2.1705 382.544  18.827  371.536  23.895  400.569  30.575  86.505  2.7985 89.681  3.4541 -3.175774      4.445508  
1 1 1 -18 2   2  o 83.607  1.4480 345.555  11.949  339.851  17.030  351.088  16.771  82.839  2.0827 84.206  2.0178 -1.367386      2.899878  
1 1 1 -18 2   3  o 16.784  1.7037 14.079   2.7832  13.723   2.8593  20.494   12.144  16.559  1.7772 19.890  5.8172 -3.331615      6.082611  
1 1 1 -18 3   1  o 31.582  1.4932 49.313   4.6547  53.472   13.917  48.789   4.9391  32.364  4.4766 31.369  1.6005 0.9948044      4.754134  
1 1 1 -18 3   2  o 49.704  1.3290 122.108  6.5200  124.452  9.2425  119.786  9.1989  50.143  1.8675 49.192  1.8946 0.9510803      2.660220  
1 1 1 -18 3   3  o 17.184  0.8828 14.621   1.4923  10.315   1.8099  23.766   2.6376  14.389  1.2879 21.896  1.2254 -7.506384      1.777710  
1 1 1 -18 4   1  o 61.232  1.4221 185.357  8.5950  213.986  11.995  155.149  12.322  65.751  1.8483 55.949  2.2312 9.801991       2.897329  
1 1 1 -18 4   2  o 38.449  1.0794 73.036   4.0963  79.581   5.8155  66.592   5.7708  40.117  1.4687 36.691  1.5934 3.426037       2.167030  
1 1 1 -18 4   3  o 39.751  1.4690 78.145   5.7638  77.719   6.0718  82.029   18.332  39.638  1.5519 40.081  4.7246 -0.4432411     4.972954  
1 1 1 -18 5   1  o 39.988  1.3492 79.050   5.3252  79.816   7.5336  78.285   7.5283  40.149  1.9011 39.760  1.9183 0.3881569      2.700717  
1 1 1 -18 5   2  o 90.641  1.6380 406.526  14.655  408.875  21.328  404.426  20.171  90.772  2.3805 90.300  2.2631 0.4714203      3.284537  
1 1 1 -18 6   1  o 39.787  7.0550 84.107   26.692  93.650   37.806  74.622   37.689  41.010  9.5225 36.425  10.120 4.585609       13.89596  
1 1 1 -18 6   2  o 30.434  7.3969 50.164   22.003  53.516   31.707  47.051   30.558  31.169  9.4700 29.473  9.3531 1.695456       13.31018  
1 1 1 -17 -10 1  o 80.063  1.5919 316.911  12.580  300.501  16.983  336.860  18.725  77.899  2.2088 82.465  2.3005 -4.566154      3.189233  
1 1 1 -17 -9  1  o 66.224  2.0000 217.005  13.073  197.591  16.907  245.871  20.616  63.123  2.7136 70.380  2.9678 -7.257580      4.021340  
1 1 1 -17 -9  2  f 86.100  1.5496 366.480  13.169  347.060  19.522  382.697  17.840  83.693  2.3632 87.928  2.0556 -4.234253      3.132120  
1 1 1 -17 -8  1  o 69.758  6.1298 247.557  41.778  236.975  58.710  258.413  59.463  67.059  9.1054 70.224  8.7699 -3.165031      12.64202  
1 1 1 -17 -8  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -17 -7  1  o 96.681  6.2656 474.232  59.470  490.398  83.812  457.840  84.397  97.037  8.8478 93.501  9.2669 3.535446       12.81247  
1 1 1 -17 -7  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -17 -7  3  o 52.680  6.3698 142.630  32.448  144.785  45.366  140.372  46.429  52.038  9.1672 51.057  9.5646 0.9815254      13.24834  
1 1 1 -17 -6  1  o 85.832  2.3535 364.791  19.939  257.762  64.990  375.912  20.949  69.777  9.6985 87.120  2.4362 -17.34351      9.999839  
1 1 1 -17 -6  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -17 -6  3  o 88.112  6.2534 394.846  54.032  381.964  76.043  407.981  76.789  85.226  9.1848 88.246  8.9393 -3.020111      12.81686  
1 1 1 -17 -6  4  o 45.680  7.7892 110.088  33.860  97.243   57.067  117.067  42.065  41.572  12.720 46.487  9.4886 -4.915405      15.86937  
1 1 1 -17 -5  1  o 83.910  1.5534 347.970  12.866  345.415  18.777  350.231  17.664  83.533  2.2774 84.130  2.1272 -0.5965042     3.116274  
1 1 1 -17 -5  2  o 32.465  1.4243 52.080   4.5639  53.134   10.037  51.805   5.1242  32.561  3.1630 32.373  1.6036 0.1878014      3.546319  
1 1 1 -17 -5  3  o 75.588  1.7904 282.552  13.358  272.449  16.516  301.657  22.712  74.179  2.2557 77.964  2.9514 -3.784523      3.714692  
1 1 1 -17 -5  4  o 138.510 2.0404 949.557  27.895  914.594  38.637  987.626  40.316  135.741 2.8838 141.053 2.8958 -5.312164      4.086760  
1 1 1 -17 -4  1  o 55.966  1.4178 154.758  7.8321  141.427  12.912  162.517  9.8513  53.440  2.4480 57.335  1.7408 -3.894936      3.003798  
1 1 1 -17 -4  2  o 32.473  2.4258 52.517   7.7191  54.248   10.789  50.701   11.049  32.871  3.3731 31.729  3.5912 1.141748       4.926925  
1 1 1 -17 -4  3  o 42.857  1.1443 90.722   4.8405  74.697   11.496  94.175   5.3366  38.674  3.0360 43.662  1.2383 -4.988113      3.278837  
1 1 1 -17 -4  4  o 89.966  1.7387 400.267  15.440  398.698  21.742  401.863  21.928  89.698  2.4558 90.052  2.4671 -0.3537369     3.480996  
1 1 1 -17 -4  5  o 39.205  6.9713 80.711   25.988  85.106   36.044  75.954   37.505  39.511  9.3821 37.199  9.9994 2.312622       13.71175  
1 1 1 -17 -3  1  o 59.584  1.2173 175.360  7.1594  170.128  9.9108  181.070  10.353  58.665  1.7116 60.520  1.7332 -1.855824      2.435879  
1 1 1 -17 -3  2  o 126.203 1.8833 787.735  23.459  789.980  33.291  785.521  33.063  126.245 2.6717 125.890 2.6608 0.3545380      3.770646  
1 1 1 -17 -3  3  f 63.299  1.6292 198.075  10.179  191.665  14.847  203.760  13.982  62.203  2.4183 64.155  2.2080 -1.952366      3.274637  
1 1 1 -17 -3  4  o 52.384  2.4367 135.967  12.599  96.053   41.316  140.059  13.229  41.925  10.103 53.159  2.5212 -11.23421      10.41293  
1 1 1 -17 -3  5  o 76.345  1.5342 288.148  11.561  275.752  15.065  305.911  18.033  74.635  2.0449 78.576  2.3251 -3.940399      3.096450  
1 1 1 -17 -2  1  o 78.598  1.5779 305.306  12.241  302.302  16.353  309.133  18.462  78.166  2.1196 79.020  2.3670 -0.8535004     3.177327  
1 1 1 -17 -2  2  o 84.420  1.4276 352.159  11.895  342.809  16.371  362.618  17.315  83.243  1.9924 85.609  2.0491 -2.365295      2.858058  
1 1 1 -17 -2  3  o 80.842  1.4970 323.000  11.945  306.466  17.345  337.916  16.475  78.676  2.2336 82.639  2.0198 -3.962486      3.011387  
1 1 1 -17 -2  4  o 125.485 1.9632 779.139  24.316  767.778  33.922  791.148  34.874  124.410 2.7624 126.281 2.7979 -1.870926      3.931799  
1 1 1 -17 -2  5  f 43.366  6.7040 97.837   27.770  107.162  39.271  88.510   39.275  44.524  9.2386 40.179  9.9546 4.345146       13.58113  
1 1 1 -17 -1  1  o 95.780  2.1977 453.987  20.777  452.884  28.356  455.265  30.531  95.549  3.0066 95.762  3.2301 -0.2130432     4.412838  
1 1 1 -17 -1  2  o 132.543 2.0864 869.323  27.295  867.972  39.314  870.581  37.925  132.248 3.0118 132.474 2.9004 -0.2253418     4.181305  
1 1 1 -17 -1  3  o 40.214  1.1268 79.875   4.4724  65.939   6.3875  93.278   6.2642  36.515  1.7722 43.445  1.4608 -6.929321      2.296698  
1 1 1 -17 -1  4  o 40.977  1.3735 82.974   5.5551  85.925   6.2794  72.349   11.914  41.693  1.5259 38.024  3.2043 3.669689       3.549100  
1 1 1 -17 -1  5  f 106.048 1.7833 556.302  18.666  537.686  26.142  575.664  26.661  104.134 2.5434 107.756 2.5067 -3.622101      3.571033  
1 1 1 -17 0   1  o 154.945 2.3023 1188.50  35.211  1203.87  49.800  1173.13  49.792  155.710 3.2403 153.697 3.2822 2.012772       4.612164  
1 1 1 -17 0   2  o 37.040  1.0505 67.757   3.8406  60.860   4.7136  81.381   6.6248  35.096  1.3607 40.573  1.6542 -5.476776      2.141957  
1 1 1 -17 0   3  o 33.447  1.0309 55.249   3.4033  49.835   4.8016  60.715   4.8245  31.752  1.5321 35.052  1.3945 -3.299936      2.071641  
1 1 1 -17 0   4  o 70.492  1.5311 245.636  10.653  233.411  13.319  267.349  17.750  68.680  1.9647 73.449  2.4483 -4.769470      3.139171  
1 1 1 -17 0   5  o 44.721  2.2043 99.058   9.7302  99.279   13.433  98.814   14.113  44.593  3.0706 44.459  3.2384 0.1338539      4.462770  
1 1 1 -17 0   6  o 27.140  1.0716 36.386   2.8706  36.556   2.9650  33.849   11.469  27.203  1.1043 25.573  4.7174 1.629971       4.844947  
1 1 1 -17 1   1  o 191.754 2.8630 1823.62  54.187  1818.23  76.622  1829.02  76.641  190.994 4.0645 191.565 4.0533 -0.5708771     5.740133  
1 1 1 -17 1   2  o 19.937  0.8921 19.627   1.7556  14.593   2.4211  25.209   2.5493  17.123  1.4461 22.562  1.1485 -5.438826      1.846671  
1 1 1 -17 1   3  o 69.935  1.4965 241.745  10.330  244.293  14.844  239.352  14.386  70.246  2.1409 69.536  2.0960 0.7094421      2.996068  
1 1 1 -17 1   4  o 29.621  0.9293 43.327   2.7169  32.869   4.6092  48.896   3.3633  25.712  1.8281 31.463  1.0830 -5.751074      2.124804  
1 1 1 -17 1   5  o 115.271 2.0115 657.767  22.886  618.892  32.030  698.320  32.714  111.627 2.9071 118.602 2.7945 -6.975609      4.032384  
1 1 1 -17 1   6  o 86.609  1.5414 370.922  13.177  368.277  18.351  373.738  18.933  86.218  2.1564 86.847  2.2087 -0.6287537     3.086800  
1 1 1 -17 2   1  o 58.774  1.8764 170.861  10.886  170.944  15.776  170.785  15.039  58.716  2.7221 58.701  2.5956 0.1486969E-01  3.761298  
1 1 1 -17 2   2  o 138.549 2.0498 950.041  28.032  968.941  39.352  930.570  39.942  139.735 2.8532 136.912 2.9556 2.822189       4.108084  
1 1 1 -17 2   3  o 35.098  0.8597 60.827   2.9783  58.649   4.2121  63.005   4.2117  34.454  1.2386 35.712  1.1948 -1.257751      1.720970  
1 1 1 -17 2   4  o 51.843  1.5544 132.882  7.9538  117.817  14.351  139.560  9.5557  48.607  3.0060 53.112  1.8228 -4.505795      3.515509  
1 1 1 -17 2   5  o 27.726  3.0431 38.663   8.1911  36.687   11.241  40.900   11.960  26.724  4.4160 28.246  4.4360 -1.521980      6.259287  
1 1 1 -17 2   6  o 15.271  4.8103 11.618   8.0942  10.806   10.324  12.913   13.039  15.490  5.4461 17.090  6.1086 -1.599772      8.183823  
1 1 1 -17 3   1  o 57.368  1.3613 162.622  7.7080  179.546  10.876  145.540  10.926  60.249  1.8288 54.229  2.0413 6.019627       2.740709  
1 1 1 -17 3   2  o 113.386 1.8910 636.104  21.164  628.473  29.893  643.773  29.968  112.558 2.6907 113.925 2.6650 -1.367455      3.787099  
1 1 1 -17 3   3  o 24.635  1.5225 30.118   3.6839  19.835   18.507  30.542   3.7592  20.740  7.2918 24.807  1.5429 -4.067230      7.453202  
1 1 1 -17 3   4  o 39.799  13.378 87.922   62.100  0.0000   0.0000  87.922   62.100  ?       ?      39.799  13.378 0.000000       13.37845  
1 1 1 -17 3   5  o 27.180  7.1591 39.349   19.473  41.729   26.711  36.649   28.450  28.122  8.7189 26.917  9.0552 1.204369       12.57045  
1 1 1 -17 3   6  o 29.879  7.0954 47.768   20.614  36.201   28.464  60.525   29.893  26.726  9.0571 33.264  8.9210 -6.538639      12.71281  
1 1 1 -17 4   1  o 66.609  6.2805 226.990  40.805  221.381  57.447  232.701  57.969  64.465  9.2972 66.212  9.1114 -1.746895      13.01756  
1 1 1 -17 4   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -17 4   3  f 74.097  14.134 319.357  99.602  0.0000   0.0000  319.357  99.602  ?       ?      74.097  14.134 0.000000       14.13443  
1 1 1 -17 4   4  o 42.234  6.8678 93.454   27.646  91.190   39.443  95.641   38.760  40.641  9.9196 41.742  9.6070 -1.101166      13.80918  
1 1 1 -17 4   5  o 45.585  4.1521 104.897  18.477  153.160  44.172  94.662   20.342  53.448  8.6701 43.100  4.8669 10.34737       9.942657  
1 1 1 -17 4   6  o 27.678  0.7578 37.827   2.0704  33.550   2.9297  42.095   2.9262  26.057  1.1391 29.191  1.0156 -3.134068      1.526094  
1 1 1 -17 5   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -17 5   2  f 13.122  5.2067 4.7835   10.054  -1.6864  14.701  10.469   13.781  13.599  5.9029 16.505  6.2158 -2.905586      8.572069  
1 1 1 -17 5   3  o 89.499  1.8228 396.395  16.103  390.781  22.953  401.836  22.597  88.733  2.6207 89.994  2.5439 -1.261040      3.652314  
1 1 1 -17 5   4  o 77.799  1.4842 299.277  11.397  290.583  16.798  306.692  15.513  76.570  2.2227 78.696  1.9972 -2.125923      2.988139  
1 1 1 -17 5   5  o 80.275  1.5965 318.772  12.650  302.765  18.330  333.327  17.479  78.122  2.3771 82.007  2.1594 -3.885368      3.211479  
1 1 1 -17 6   1  o 62.641  2.1733 194.413  13.437  194.605  16.812  194.075  22.358  62.602  2.7208 62.260  3.6543 0.3420525      4.555926  
1 1 1 -17 6   2  f 70.687  1.5746 247.113  10.986  235.583  14.608  262.129  16.670  68.955  2.1462 72.712  2.3227 -3.757027      3.162435  
1 1 1 -17 6   3  o 84.056  1.8582 349.751  15.416  348.972  22.002  350.502  21.607  83.828  2.6592 84.022  2.6054 -0.1939468     3.722770  
1 1 1 -17 6   4  o 72.952  1.5139 263.213  10.901  239.831  15.402  286.684  15.431  69.548  2.2437 76.067  2.0553 -6.519119      3.042756  
1 1 1 -17 6   5  o 63.304  1.3549 198.137  8.4660  188.238  10.442  217.124  14.462  61.669  1.7155 66.167  2.2144 -4.498539      2.801150  
1 1 1 -17 7   1  o 46.662  2.2231 107.928  10.239  109.658  14.540  106.227  14.420  46.825  3.1647 46.078  3.1903 0.7463226      4.493655  
1 1 1 -17 7   2  o 9.0394  1.5929 4.1613   1.3693  6.4614   1.8744  1.5285   2.0053  11.297  1.7366 6.3810  2.3773 4.915531       2.944077  
1 1 1 -17 7   3  o 24.840  3.7815 31.542   8.9788  34.734   12.807  28.455   12.592  25.759  5.2159 23.221  5.5663 2.538525       7.628212  
1 1 1 -17 7   4  o 106.376 1.9256 560.553  20.218  552.700  28.585  568.416  28.601  105.424 2.7470 106.923 2.7101 -1.499184      3.858826  
1 1 1 -17 7   5  o 19.168  6.9709 16.300   17.069  18.326   23.303  13.956   25.074  21.198  8.0592 20.628  8.2106 0.5706310      11.50495  
1 1 1 -17 8   1  o 63.306  1.4142 198.172  8.8367  188.502  12.690  207.277  12.313  61.672  2.0846 64.690  1.9283 -3.018082      2.839731  
1 1 1 -17 8   2  o 56.244  2.0981 156.809  11.648  150.762  16.460  162.874  16.484  54.932  3.0478 57.128  2.9333 -2.195869      4.230061  
1 1 1 -17 8   3  o 65.101  1.8402 209.909  11.824  137.008  53.539  213.648  12.124  48.681  11.351 65.675  1.8703 -16.99360      11.50436  
1 1 1 -17 8   4  o 67.915  1.9980 228.656  13.394  235.985  19.129  221.607  18.760  68.844  2.8151 66.707  2.8492 2.137367       4.005369  
1 1 1 -17 9   1  o 104.409 1.9323 540.164  19.913  552.518  28.704  528.703  27.647  105.376 2.7598 103.093 2.7170 2.283058       3.872801  
1 1 1 -17 9   2  o 44.405  2.5065 98.305   10.941  96.272   15.182  100.500  15.780  43.720  3.5488 44.660  3.6106 -0.9401016     5.062676  
1 1 1 -17 9   3  o 16.492  1.1084 13.503   1.7937  21.729   2.5074  4.8800   2.5672  20.929  1.2190 9.7393  2.6153 11.18980       2.885423  
1 1 1 -17 10  1  o 32.662  3.2480 53.838   10.332  61.321   14.664  46.460   14.561  34.583  4.3953 29.819  5.1323 4.763979       6.757115  
1 1 1 -16 -13 1  o 54.607  6.2753 153.357  33.209  144.576  46.591  162.426  47.347  51.724  9.4751 55.106  9.0166 -3.381859      13.07965  
1 1 1 -16 -12 1  o 82.093  1.6259 333.190  13.175  309.866  17.813  361.359  19.575  79.098  2.2815 85.413  2.3219 -6.314323      3.255275  
1 1 1 -16 -11 1  f 85.163  1.7164 358.601  14.428  345.672  19.986  372.669  20.848  83.537  2.4239 86.736  2.4352 -3.199333      3.435949  
1 1 1 -16 -11 2  o 128.766 1.9398 820.355  24.654  804.842  36.016  834.033  33.819  127.352 2.8652 129.694 2.6419 -2.342400      3.897304  
1 1 1 -16 -10 1  o 117.268 1.7512 679.935  20.270  630.340  28.112  733.632  29.252  112.799 2.5250 121.706 2.4351 -8.907814      3.507894  
1 1 1 -16 -10 2  o 93.827  1.6194 435.182  14.997  414.203  20.791  457.938  21.654  91.461  2.3031 96.171  2.2811 -4.710464      3.241577  
1 1 1 -16 -10 3  o 51.753  1.6996 132.443  8.6817  125.702  11.629  140.930  13.049  50.375  2.3389 53.327  2.4790 -2.951965      3.408203  
1 1 1 -16 -9  1  o 49.374  1.5375 120.470  7.4930  127.703  10.802  113.760  10.403  50.801  2.1542 47.945  2.1983 2.855991       3.077784  
1 1 1 -16 -9  2  o 75.985  1.5528 285.355  11.646  276.321  16.405  294.535  16.536  74.716  2.2245 77.144  2.1716 -2.428574      3.108759  
1 1 1 -16 -9  3  o 189.478 2.3897 1778.20  44.693  1781.37  63.206  1775.04  63.206  189.306 3.3827 188.967 3.3888 0.3389893      4.788132  
1 1 1 -16 -9  4  o 125.008 1.8110 772.975  22.345  788.356  31.948  758.245  31.265  126.102 2.5668 123.671 2.5613 2.430382       3.626064  
1 1 1 -16 -8  1  o 48.070  7.2917 119.658  33.511  123.123  41.071  112.755  57.964  48.246  8.9542 45.190  12.549 3.056225       15.41587  
1 1 1 -16 -8  2  o 62.454  1.5135 192.753  9.3301  187.046  13.003  198.809  13.395  61.482  2.1427 63.386  2.1411 -1.904011      3.029072  
1 1 1 -16 -8  3  o 70.897  1.4530 248.378  10.168  236.704  14.136  260.891  14.636  69.166  2.0707 72.616  2.0419 -3.450363      2.908115  
1 1 1 -16 -8  4  o 16.002  1.2040 12.721   1.8878  12.922   1.9443  9.4023   7.8881  16.127  1.2308 14.159  4.7681 1.967978       4.924342  
1 1 1 -16 -7  1  o 66.895  1.4754 221.083  9.7417  226.446  13.762  215.699  13.791  67.667  2.0606 66.038  2.1158 1.629028       2.953389  
1 1 1 -16 -7  2  o 61.053  2.0803 184.395  12.536  184.395  12.536  0.0000   0.0000  61.053  2.0803 ?       ?      0.000000       2.080308  
1 1 1 -16 -7  3  o 117.725 1.7183 685.156  19.967  674.361  28.186  696.029  28.288  116.690 2.4472 118.554 2.4175 -1.864838      3.439894  
1 1 1 -16 -7  4  o 109.874 1.6895 596.839  18.323  634.853  26.579  562.413  25.293  113.222 2.3783 106.563 2.4047 6.659332       3.382184  
1 1 1 -16 -7  5  o 20.509  1.3148 20.868   2.6477  21.032   2.7625  19.020   9.2805  20.586  1.3674 19.118  4.8966 1.467983       5.083884  
1 1 1 -16 -6  1  o 85.005  1.4992 356.976  12.579  351.216  17.310  363.420  18.310  84.277  2.0810 85.722  2.1640 -1.444839      3.002225  
1 1 1 -16 -6  2  o 54.093  1.5019 144.575  8.0188  136.528  10.961  153.841  11.762  52.536  2.1138 55.766  2.1368 -3.230377      3.005685  
1 1 1 -16 -6  3  o 69.961  1.3800 241.815  9.5298  227.398  12.534  261.569  14.671  67.812  1.8726 72.715  2.0441 -4.902878      2.772207  
1 1 1 -16 -6  4  f 69.153  1.4973 236.326  10.220  226.273  14.201  247.126  14.719  67.620  2.1277 70.669  2.1101 -3.048820      2.996640  
1 1 1 -16 -6  5  o 107.689 1.7010 573.392  18.080  548.022  25.137  600.584  26.025  105.181 2.4213 110.114 2.3945 -4.933044      3.405319  
1 1 1 -16 -5  1  o 95.107  1.6686 446.939  15.664  449.865  22.450  444.164  21.867  95.359  2.3852 94.757  2.3380 0.6017075      3.339931  
1 1 1 -16 -5  2  o 52.848  1.5394 137.993  8.0299  136.664  11.242  139.378  11.473  52.563  2.1669 53.081  2.1898 -0.5180016     3.080733  
1 1 1 -16 -5  3  o 36.623  1.1444 66.239   4.1369  75.178   10.326  64.530   4.5151  38.858  2.7092 36.144  1.2656 2.713833       2.990267  
1 1 1 -16 -5  4  o 32.935  1.2517 53.582   4.0691  49.269   7.8771  55.151   4.7523  31.432  2.5612 33.409  1.4412 -1.976572      2.938861  
1 1 1 -16 -5  5  o 16.710  1.5452 13.918   2.5197  23.450   6.9949  12.497   2.7010  21.461  3.4168 15.800  1.7619 5.660502       3.844296  
1 1 1 -16 -5  6  o 70.914  1.5139 248.567  10.597  232.421  15.113  264.179  14.861  68.510  2.2350 73.059  2.0609 -4.549309      3.040135  
1 1 1 -16 -4  1  o 170.664 3.4297 1444.32  57.774  1377.46  81.660  1511.33  81.750  166.228 4.9771 174.195 4.7547 -7.966080      6.883171  
1 1 1 -16 -4  2  o 134.667 2.4274 897.461  32.265  897.498  40.113  897.393  54.305  134.569 3.0200 134.324 4.0960 0.2456818      5.088952  
1 1 1 -16 -4  3  o 104.155 2.3669 536.970  24.333  529.654  25.205  637.262  93.323  103.430 2.4689 111.206 8.5682 -7.775703      8.916781  
1 1 1 -16 -4  4  o 29.281  3.4822 43.199   9.8666  39.179   26.063  43.872   10.660  27.596  8.6217 29.464  3.7505 -1.867413      9.402178  
1 1 1 -16 -4  5  o 63.607  1.5846 199.976  9.9484  192.150  12.059  216.648  17.602  62.324  1.9603 66.109  2.6975 -3.784687      3.334595  
1 1 1 -16 -4  6  o 79.059  1.7278 309.066  13.483  303.686  16.693  319.164  22.869  78.324  2.1592 80.199  2.8889 -1.874474      3.606675  
1 1 1 -16 -3  1  o 90.043  6.1401 407.892  54.245  389.742  76.540  426.207  76.888  87.048  9.0403 91.220  8.6426 -4.172630      12.50683  
1 1 1 -16 -3  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -16 -3  3  o 117.086 6.3538 692.468  73.155  684.617  103.429 700.327  103.484 114.997 9.1889 116.380 9.0806 -1.382813      12.91874  
1 1 1 -16 -3  4  o 71.326  6.2644 258.531  43.655  261.657  61.623  255.381  61.854  70.691  9.0388 69.751  9.2094 0.9393997      12.90398  
1 1 1 -16 -3  5  o 67.467  6.2482 231.815  41.136  234.202  58.102  229.417  58.248  66.720  9.0569 65.962  9.1965 0.7571487      12.90750  
1 1 1 -16 -3  6  o 24.736  7.4380 31.675   19.634  27.938   24.343  38.631   33.214  24.219  8.3712 28.185  9.7762 -3.966408      12.87057  
1 1 1 -16 -3  7  o 33.724  7.0289 60.091   22.638  63.595   31.900  56.536   32.132  34.270  9.2260 32.424  9.4566 1.845512       13.21162  
1 1 1 -16 -2  1  o 91.348  6.1749 419.752  55.348  409.101  78.163  430.463  78.385  89.239  8.9966 91.646  8.7725 -2.406937      12.56563  
1 1 1 -16 -2  2  o 36.341  11.682 68.332   47.555  0.0000   0.0000  68.332   47.555  ?       ?      36.341  11.682 0.000000       11.68229  
1 1 1 -16 -2  3  o 95.183  6.2324 457.676  58.229  464.416  82.375  450.944  82.323  94.765  8.9114 93.302  9.0531 1.462585       12.70316  
1 1 1 -16 -2  4  o 17.924  6.1512 14.890   13.132  11.785   18.497  18.045   18.647  18.518  7.1454 20.328  7.3008 -1.810808      10.21565  
1 1 1 -16 -2  5  o 95.566  3.0401 453.281  28.676  461.681  81.825  452.105  30.618  94.089  8.9172 95.403  3.2515 -1.313766      9.491509  
1 1 1 -16 -2  6  o 39.221  1.8279 76.082   7.0764  76.082   7.0764  0.0000   0.0000  39.221  1.8279 ?       ?      0.000000       1.827916  
1 1 1 -16 -2  7  o 34.044  2.2832 57.664   7.6278  57.030   10.751  58.307   10.824  33.712  3.2721 34.094  3.2562 -0.3813019     4.616206  
1 1 1 -16 -1  1  o 109.469 1.8200 592.177  19.665  603.775  27.947  580.802  27.676  110.466 2.5631 108.341 2.5881 2.124718       3.642478  
1 1 1 -16 -1  2  o 77.191  1.2670 294.270  9.6532  291.474  13.652  297.066  13.651  76.796  1.8011 77.530  1.7838 -0.7341995     2.534955  
1 1 1 -16 -1  3  o 114.915 1.7784 652.741  20.171  638.046  28.429  667.639  28.625  113.521 2.5372 116.130 2.4973 -2.608589      3.560015  
1 1 1 -16 -1  4  o 92.177  1.7006 420.006  15.473  431.547  22.072  408.854  21.696  93.360  2.3953 90.869  2.4190 2.490723       3.404247  
1 1 1 -16 -1  5  o 63.932  1.1887 201.889  7.5009  201.729  11.225  202.018  10.083  63.871  1.7805 63.929  1.5979 -0.5800629E-01 2.392344  
1 1 1 -16 -1  6  o 35.562  2.3640 62.915   8.2508  65.569   11.425  60.023   11.928  36.186  3.2329 34.556  3.5473 1.629963       4.799530  
1 1 1 -16 -1  7  o 20.826  1.5628 21.562   3.1890  25.025   10.236  21.190   3.3561  21.921  4.8584 20.635  1.6619 1.285789       5.134818  
1 1 1 -16 0   1  o 63.035  1.2770 196.224  7.9452  200.891  10.437  189.791  12.253  63.766  1.6582 61.964  2.0034 1.802326       2.600641  
1 1 1 -16 0   2  o 114.015 1.8279 642.496  20.571  632.956  29.079  652.052  29.103  113.079 2.6054 114.776 2.5689 -1.697838      3.658891  
1 1 1 -16 0   3  o 53.511  1.4198 141.461  7.4989  137.442  13.351  143.313  9.0637  52.685  2.5674 53.848  1.7053 -1.163334      3.082124  
1 1 1 -16 0   4  o 50.710  1.8711 127.161  9.3652  118.867  12.953  136.245  13.556  48.903  2.6939 52.440  2.6190 -3.537270      3.757207  
1 1 1 -16 0   5  o 9.8273  0.9661 4.8150   0.9250  5.2524   1.1244  3.8990   1.6271  10.250  1.1301 8.7074  1.9426 1.542741       2.247385  
1 1 1 -16 0   6  f 14.179  5.0816 8.6073   9.0291  11.728   10.950  1.9776   15.960  16.095  5.6115 15.049  6.3283 1.046416       8.457951  
1 1 1 -16 0   7  o 67.988  1.8791 228.691  12.610  191.507  55.333  230.728  12.951  59.711  9.7232 68.286  1.9215 -8.575256      9.911222  
1 1 1 -16 0   8  o 66.204  1.7761 216.848  11.606  225.005  16.671  209.176  16.169  67.355  2.5075 64.941  2.5224 2.414314       3.556749  
1 1 1 -16 1   1  o 32.675  0.8341 52.704   2.6901  55.127   4.5480  51.401   3.3364  33.409  1.3792 32.265  1.0476 1.143444       1.731974  
1 1 1 -16 1   2  o 21.570  1.0864 23.033   2.3056  21.050   3.3029  24.917   3.2199  20.575  1.6400 22.411  1.4636 -1.836477      2.198166  
1 1 1 -16 1   3  o 81.876  1.7080 331.339  13.803  307.153  19.230  357.046  19.825  78.766  2.4734 84.934  2.3648 -6.168175      3.422027  
1 1 1 -16 1   4  o 103.485 1.7408 529.455  17.781  531.644  24.969  527.202  25.328  103.611 2.4415 103.170 2.4872 0.4405365      3.485241  
1 1 1 -16 1   5  o 91.080  1.5419 410.027  13.862  403.463  19.601  416.595  19.606  90.277  2.1998 91.739  2.1653 -1.461868      3.086633  
1 1 1 -16 1   6  o 27.064  3.1094 36.855   8.1554  35.148   11.421  38.631   11.650  26.131  4.5957 27.457  4.4510 -1.326080      6.397837  
1 1 1 -16 1   7  o 53.030  1.5072 139.014  7.8890  130.766  9.5196  157.098  14.096  51.410  1.8760 56.290  2.5370 -4.879951      3.155319  
1 1 1 -16 1   8  o 114.483 6.4522 670.200  72.612  653.197  102.112 687.594  103.277 110.871 9.4201 113.897 9.2670 -3.026123      13.21423  
1 1 1 -16 2   1  o 63.134  1.8456 197.005  11.501  205.687  17.160  189.924  15.497  64.456  2.6973 61.948  2.5344 2.507511       3.701121  
1 1 1 -16 2   2  o 107.694 2.0598 573.556  21.895  583.635  39.046  568.932  26.444  108.400 3.6493 107.208 2.4990 1.192604       4.422947  
1 1 1 -16 2   3  o 37.336  2.3091 69.254   8.4676  65.516   11.604  73.511   12.384  36.184  3.2849 38.342  3.3045 -2.158260      4.659446  
1 1 1 -16 2   4  f 34.496  2.5928 59.295   8.7638  59.125   12.955  59.439   11.900  34.240  3.9031 34.394  3.5567 -0.1538429     5.280543  
1 1 1 -16 2   5  o 84.984  1.6125 357.049  13.526  358.953  18.628  354.926  19.672  85.145  2.2165 84.649  2.3544 0.4965820      3.233644  
1 1 1 -16 2   6  o 82.057  1.5230 332.843  12.336  310.985  17.634  353.790  17.262  79.240  2.2546 84.541  2.0687 -5.301445      3.059850  
1 1 1 -16 2   7  o 52.102  1.2335 134.122  6.3433  138.721  8.8781  129.326  9.0663  52.961  1.6984 51.129  1.7965 1.831532       2.472222  
1 1 1 -16 2   8  o 38.800  2.4373 74.949   9.2866  84.526   13.643  66.680   12.677  41.055  3.3972 36.398  3.5747 4.656776       4.931479  
1 1 1 -16 3   1  o 132.035 2.0824 862.112  27.138  872.164  38.822  852.505  37.952  132.665 2.9647 131.167 2.9314 1.497635       4.169264  
1 1 1 -16 3   2  o 102.847 1.7009 522.797  17.267  526.206  24.009  519.145  24.851  103.111 2.3590 102.405 2.4586 0.7066269      3.407316  
1 1 1 -16 3   3  o 50.372  1.3928 125.363  6.9247  129.804  10.408  121.835  9.2757  51.223  2.0585 49.635  1.8933 1.588100       2.796835  
1 1 1 -16 3   4  o 99.545  1.7924 490.032  17.611  480.456  25.058  499.378  24.756  98.460  2.5784 100.393 2.4983 -1.933037      3.590237  
1 1 1 -16 3   5  f 91.762  1.7355 416.418  15.719  415.923  21.901  416.943  22.574  91.617  2.4219 91.718  2.4935 -0.1012115     3.476123  
1 1 1 -16 3   6  o 58.770  1.1437 170.622  6.6341  172.165  9.3848  169.080  9.3794  59.008  1.6113 58.476  1.6250 0.5319824      2.288480  
1 1 1 -16 3   7  o 108.686 1.8155 584.456  19.476  575.534  28.279  592.506  26.862  107.696 2.6603 109.309 2.4897 -1.613350      3.643607  
1 1 1 -16 3   8  o 36.606  1.4652 66.250   5.2938  67.931   5.8788  59.045   12.173  37.060  1.6071 34.207  3.6624 2.853310       3.999480  
1 1 1 -16 4   1  o 71.273  1.6052 251.028  11.292  236.161  14.906  271.049  17.299  69.091  2.1858 74.004  2.3682 -4.912094      3.222783  
1 1 1 -16 4   2  o 32.224  1.1733 51.286   3.7318  42.821   5.3112  59.540   5.2445  29.371  1.8414 34.711  1.5307 -5.340124      2.394531  
1 1 1 -16 4   3  o 113.725 1.8990 639.701  21.317  645.626  30.715  634.195  29.608  114.116 2.7269 113.115 2.6519 1.000725       3.803755  
1 1 1 -16 4   4  o 48.862  1.6101 118.033  7.7653  114.072  9.1550  128.191  14.660  48.017  1.9317 50.734  2.9402 -2.717297      3.517977  
1 1 1 -16 4   5  o 85.506  1.4683 361.389  12.392  375.023  16.993  345.908  18.109  87.048  1.9778 83.573  2.1953 3.474762       2.954816  
1 1 1 -16 4   6  o 5.7401  1.9090 1.5392   1.2648  1.5963   1.2779  -1.1979  8.8528  5.8201  1.9181 10.566  4.5834 -4.745565      4.968526  
1 1 1 -16 4   7  o 50.080  1.2552 123.932  6.2046  124.724  6.9543  120.842  13.738  50.232  1.4026 49.242  2.8386 0.9892120      3.166188  
1 1 1 -16 4   8  o 48.490  1.2087 116.191  5.7850  115.232  8.3805  117.064  7.9955  48.255  1.7595 48.644  1.6653 -0.3890038     2.422625  
1 1 1 -16 5   1  o 84.508  1.7945 353.092  14.968  364.090  26.327  347.838  18.195  85.658  3.1138 83.839  2.1988 1.818848       3.811927  
1 1 1 -16 5   2  o 62.280  1.4367 191.667  8.8314  185.532  12.711  197.391  12.279  61.231  2.1032 63.168  1.9694 -1.937180      2.881345  
1 1 1 -16 5   3  o 61.332  1.1803 185.817  7.1450  178.331  10.107  193.295  10.102  60.054  1.7051 62.527  1.6368 -2.473667      2.363598  
1 1 1 -16 5   4  o 106.763 1.7871 563.828  18.832  549.699  27.300  576.656  26.012  105.276 2.6273 107.862 2.4433 -2.586647      3.587764  
1 1 1 -16 5   5  o 60.303  1.7759 179.905  10.571  189.020  14.679  170.088  15.234  61.749  2.4085 58.549  2.6361 3.199799       3.570656  
1 1 1 -16 5   6  o 57.141  3.4395 163.243  19.309  140.192  70.941  165.087  20.066  48.716  14.006 57.438  3.5569 -8.722065      14.45082  
1 1 1 -16 5   7  o 28.743  7.1099 44.141   20.059  39.206   28.334  49.100   28.403  27.528  9.0299 30.189  8.9157 -2.661253      12.68973  
1 1 1 -16 5   8  o 58.189  6.5622 175.763  37.032  165.199  52.181  186.482  52.562  54.678  10.039 58.525  9.4187 -3.846405      13.76530  
1 1 1 -16 6   1  o 103.447 2.0182 529.497  20.607  541.849  34.822  522.840  25.563  104.403 3.3792 102.720 2.5213 1.682961       4.216136  
1 1 1 -16 6   2  o 107.937 2.5763 577.578  27.447  681.282  98.851  568.915  28.571  114.195 8.8389 107.100 2.7027 7.095055       9.242847  
1 1 1 -16 6   3  o 35.669  7.6001 67.698   25.938  69.729   37.159  65.768   36.223  35.724  10.093 34.762  10.013 0.9625816      14.21667  
1 1 1 -16 6   4  o 56.204  6.5985 163.152  35.909  167.080  52.093  159.596  49.567  55.450  9.8803 54.300  9.5994 1.150059       13.77563  
1 1 1 -16 6   5  o 66.208  6.4777 225.684  41.789  226.721  59.023  224.641  59.175  64.888  9.4968 64.538  9.5802 0.3497467      13.48959  
1 1 1 -16 6   6  o 68.541  6.4566 241.992  43.166  236.715  60.443  247.484  61.667  66.221  9.5211 67.756  9.4805 -1.535172      13.43620  
1 1 1 -16 6   7  o 48.578  1.8849 116.842  9.0381  114.988  41.439  116.935  9.2610  45.722  9.4930 48.594  1.9308 -2.872089      9.687344  
1 1 1 -16 6   8  o 26.596  4.0711 36.264   10.347  39.900   15.429  33.292   13.948  27.474  5.8678 25.082  5.7562 2.391745       8.219793  
1 1 1 -16 7   1  o 26.944  7.5214 38.412   20.767  52.840   28.708  22.577   30.076  31.377  8.8734 23.974  9.1460 7.402855       12.74311  
1 1 1 -16 7   2  o 20.212  6.9339 19.392   16.686  35.674   24.788  5.9005   22.563  26.324  8.4314 18.370  7.6091 7.954233       11.35725  
1 1 1 -16 7   3  o 57.401  6.6071 170.278  36.751  188.219  53.180  153.879  50.845  59.097  9.4342 53.010  10.086 6.087078       13.81059  
1 1 1 -16 7   4  o 66.396  2.7700 218.975  18.153  386.791  66.431  205.433  18.871  85.972  7.9175 64.278  2.9744 21.69347       8.457786  
1 1 1 -16 7   5  o 16.874  0.9805 14.112   1.6259  10.365   2.0122  21.158   2.7598  14.409  1.4340 20.644  1.3621 -6.235373      1.977738  
1 1 1 -16 7   6  o 47.534  2.2786 112.044  10.691  107.617  15.543  116.019  14.728  46.325  3.4235 48.173  3.1142 -1.848137      4.628009  
1 1 1 -16 7   7  o 76.373  1.5844 288.577  11.944  295.764  16.668  280.992  17.122  77.232  2.1866 75.259  2.3050 1.973061       3.177112  
1 1 1 -16 8   1  o 74.511  1.7788 274.702  13.082  272.717  15.238  280.266  25.515  74.206  2.0804 74.996  3.4469 -0.7902679     4.026056  
1 1 1 -16 8   2  o 93.453  1.7084 432.077  15.759  417.727  22.690  445.448  21.902  91.757  2.5053 94.785  2.3411 -3.027504      3.428924  
1 1 1 -16 8   3  o 16.081  1.2706 12.860   2.0003  20.129   2.9152  6.3923   2.7499  20.122  1.4781 11.129  2.5571 8.993728       2.953579  
1 1 1 -16 8   4  o 37.447  1.5760 69.360   5.8252  69.897   5.9046  49.782   35.651  37.590  1.5914 30.638  10.133 6.952484       10.25703  
1 1 1 -16 8   5  o 55.010  1.0994 149.514  5.9693  147.401  8.4504  151.618  8.4334  54.587  1.5684 55.365  1.5432 -0.7775230     2.200317  
1 1 1 -16 8   6  o 56.398  2.2116 157.743  12.311  160.301  17.373  155.163  17.449  56.633  3.1200 55.700  3.1870 0.9328384      4.460009  
1 1 1 -16 8   7  o 26.805  1.8715 35.766   4.9205  34.065   5.1936  50.679   15.376  26.136  2.0291 31.217  5.1714 -5.080128      5.555215  
1 1 1 -16 9   1  f 132.138 2.1749 865.412  28.366  861.746  40.121  869.077  40.110  131.570 3.0895 132.134 3.0754 -0.5636444     4.359250  
1 1 1 -16 9   2  o 40.763  1.2771 82.130   5.1384  88.165   7.2628  76.082   7.2707  42.207  1.7434 39.199  1.8792 3.007736       2.563342  
1 1 1 -16 9   3  o 16.145  0.7670 12.872   1.2222  12.542   1.7392  13.193   1.7180  15.893  1.1158 16.306  1.0734 -0.4131870     1.548298  
1 1 1 -16 9   4  o 34.460  1.8039 58.952   6.1142  91.770   18.218  54.786   6.4907  42.500  4.4069 33.194  1.9902 9.306076       4.835474  
1 1 1 -16 9   5  o 16.508  0.9571 13.508   1.5528  14.143   1.9173  12.296   2.6474  16.877  1.1579 15.664  1.7418 1.213274       2.091602  
1 1 1 -16 9   6  o 53.604  2.4159 142.727  12.783  146.507  18.268  139.102  17.892  54.025  3.4437 52.632  3.4635 1.393635       4.884172  
1 1 1 -16 10  1  o 64.921  1.8268 208.701  11.706  240.225  22.945  197.609  13.611  69.380  3.3506 63.128  2.1844 6.252766       3.999771  
1 1 1 -16 10  2  f 112.737 2.0103 629.825  22.369  623.472  31.221  636.527  32.067  111.942 2.8256 113.093 2.8727 -1.150612      4.029425  
1 1 1 -16 10  3  o 55.098  1.1363 150.024  6.1794  148.132  8.7473  151.908  8.7306  54.711  1.6198 55.406  1.5964 -0.6951370     2.274303  
1 1 1 -16 10  4  o 70.759  1.5882 247.784  11.092  231.917  15.588  264.058  15.787  68.351  2.3106 72.955  2.1923 -4.603928      3.185121  
1 1 1 -16 10  5  o 64.606  1.5921 206.598  10.153  199.098  15.401  212.362  13.502  63.293  2.4653 65.431  2.0906 -2.138760      3.232433  
1 1 1 -16 10  6  o 56.205  7.3351 168.564  39.722  175.649  58.821  162.624  53.858  54.803  11.251 53.113  10.644 1.690182       15.48812  
1 1 1 -16 11  1  o 51.891  2.4514 133.779  12.556  142.272  20.233  128.460  16.012  53.112  3.8865 50.629  3.2209 2.483566       5.047725  
1 1 1 -16 11  2  o 57.013  1.4095 160.781  7.9316  170.344  11.303  151.501  11.133  58.623  1.9533 55.274  2.0406 3.348209       2.824855  
1 1 1 -16 11  3  o 54.715  2.4933 148.836  13.465  145.508  20.746  151.258  17.700  53.669  3.9441 54.917  3.2803 -1.248592      5.129885  
1 1 1 -16 11  4  o 27.950  3.7623 39.899   10.116  32.979   14.361  46.715   14.252  24.837  5.9383 29.937  4.9994 -5.100252      7.762538  
1 1 1 -16 12  1  o 20.168  1.2314 20.187   2.4395  11.834   3.4471  28.568   3.4527  15.255  2.3660 23.982  1.4657 -8.727147      2.783162  
1 1 1 -16 12  2  o 33.719  3.2784 57.421   10.773  53.386   15.066  61.645   15.412  32.047  4.9201 34.575  4.6325 -2.528374      6.757749  
1 1 1 -16 12  3  o 45.511  7.9368 113.463  34.357  128.202  49.016  99.228   48.170  46.578  10.861 40.517  11.507 6.061527       15.82319  
1 1 1 -15 -14 1  o 70.762  1.6103 247.570  11.247  241.613  15.872  253.578  15.940  69.839  2.3025 71.553  2.2569 -1.713623      3.224192  
1 1 1 -15 -13 1  o 33.009  2.1373 54.153   6.9262  48.329   9.1519  61.960   10.596  31.058  3.0237 35.194  3.0815 -4.135420      4.317215  
1 1 1 -15 -13 2  o 57.016  6.2917 166.583  34.818  172.388  49.193  160.756  49.287  56.946  9.0552 54.781  9.4569 2.164593       13.09312  
1 1 1 -15 -12 1  f 27.848  2.4113 38.691   6.5626  40.005   8.7674  37.017   9.8966  28.206  3.2062 27.009  3.8187 1.196301       4.986207  
1 1 1 -15 -12 2  o 124.588 1.7962 767.595  22.088  745.836  31.144  789.615  31.331  122.680 2.5720 126.241 2.5144 -3.560669      3.596843  
1 1 1 -15 -12 3  o 40.129  6.5454 83.675   25.032  84.632   35.374  82.714   35.426  39.564  9.2278 39.085  9.3149 0.4782219      13.11181  
1 1 1 -15 -11 1  o 88.999  1.6035 391.459  14.086  384.960  19.746  398.194  20.100  88.195  2.2683 89.698  2.2703 -1.503044      3.209334  
1 1 1 -15 -11 2  o 93.716  1.5429 434.047  14.272  432.256  20.239  435.819  20.129  93.455  2.1941 93.842  2.1732 -0.3868561     3.088163  
1 1 1 -15 -11 3  o 99.427  2.3157 489.494  22.726  473.957  33.761  502.368  30.731  97.630  3.5035 100.596 3.0950 -2.966438      4.674788  
1 1 1 -15 -11 4  o 63.427  6.2807 205.612  38.804  192.886  54.626  218.574  55.131  60.113  9.5240 64.345  8.9206 -4.231205      13.04930  
1 1 1 -15 -10 1  o 80.147  1.5051 317.366  11.907  299.001  16.506  337.292  17.192  77.749  2.1508 82.581  2.1092 -4.832001      3.012464  
1 1 1 -15 -10 2  o 61.737  1.3720 188.295  8.3607  188.789  11.220  187.678  12.538  61.792  1.8395 61.596  2.0622 0.1967087      2.763426  
1 1 1 -15 -10 3  o 118.699 1.7880 696.643  20.948  664.865  28.994  731.343  30.298  115.851 2.5356 121.507 2.5263 -5.655533      3.579298  
1 1 1 -15 -10 4  o 65.150  1.4870 209.759  9.5624  208.723  13.593  210.773  13.455  64.943  2.1206 65.264  2.0886 -0.3206940     2.976448  
1 1 1 -15 -10 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -15 -9  1  f 110.390 2.2425 602.702  24.434  611.130  25.358  493.378  91.330  111.152 2.3114 97.654  9.5993 13.49728       9.873624  
1 1 1 -15 -9  2  o 106.435 1.8293 560.010  19.218  551.941  27.480  567.735  26.887  105.571 2.6372 107.084 2.5438 -1.512672      3.664081  
1 1 1 -15 -9  3  o 43.757  1.5301 94.616   6.6085  103.898  10.088  87.639   8.7466  45.820  2.2306 42.036  2.1149 3.784485       3.073772  
1 1 1 -15 -9  4  o 54.180  1.3805 145.033  7.3827  152.284  10.204  137.070  10.694  55.493  1.8630 52.636  2.0584 2.856731       2.776306  
1 1 1 -15 -9  5  o 146.252 1.9903 1058.23  28.732  1098.38  41.105  1019.87  40.177  148.822 2.7983 143.394 2.8386 5.427368       3.986016  
1 1 1 -15 -8  1  o 106.116 1.6455 556.311  17.235  563.196  24.429  549.488  24.319  106.716 2.3192 105.408 2.3375 1.308434       3.292775  
1 1 1 -15 -8  2  o 125.319 2.3355 776.944  28.888  787.336  36.387  759.226  47.512  126.068 2.9242 123.616 3.8940 2.451706       4.869705  
1 1 1 -15 -8  3  o 53.508  1.2569 141.415  6.6380  143.086  10.178  140.178  8.7566  53.795  1.9169 53.258  1.6658 0.5372314      2.539554  
1 1 1 -15 -8  4  o 59.818  1.4578 176.803  8.6070  166.502  12.077  187.435  12.269  58.012  2.1092 61.557  2.0194 -3.545147      2.920013  
1 1 1 -15 -8  5  o 111.283 1.6698 612.172  18.341  588.482  25.791  636.412  26.089  109.014 2.3969 113.377 2.3313 -4.362892      3.343695  
1 1 1 -15 -8  6  o 14.525  3.8018 10.892   5.5139  10.099   7.2598  11.973   8.4767  14.338  4.5598 15.565  4.9248 -1.226867      6.711555  
1 1 1 -15 -7  1  o 174.760 2.3530 1510.15  40.588  1456.36  59.627  1556.59  55.406  171.415 3.5242 177.289 3.1662 -5.874237      4.737602  
1 1 1 -15 -7  2  o 129.213 1.8896 825.158  24.099  777.594  34.752  869.221  33.449  125.326 2.8094 132.540 2.5568 -7.214012      3.798662  
1 1 1 -15 -7  3  o 49.353  1.2720 120.300  6.1964  117.800  9.5291  122.132  8.1564  48.812  1.9779 49.714  1.6622 -0.9025803     2.583558  
1 1 1 -15 -7  4  o 36.299  1.5548 65.111   5.5706  65.048   7.6889  65.180   8.0820  36.196  2.1620 36.221  2.2721 -0.2564621E-01 3.136345  
1 1 1 -15 -7  5  o 62.314  1.4052 191.854  8.6427  185.412  11.491  200.244  13.114  61.231  1.9014 63.619  2.0884 -2.388405      2.824308  
1 1 1 -15 -7  6  o 66.055  1.5189 215.635  9.9032  218.625  13.718  212.379  14.312  66.470  2.0909 65.503  2.2136 0.9668274      3.044931  
1 1 1 -15 -7  7  o 134.097 1.9027 889.622  25.184  883.278  35.587  895.986  35.644  133.451 2.7017 134.412 2.6867 -0.9602661     3.810194  
1 1 1 -15 -6  1  o 43.178  1.0933 92.045   4.6596  91.481   6.7012  92.573   6.4835  43.037  1.5775 43.294  1.5172 -0.2572289     2.188720  
1 1 1 -15 -6  2  o 79.441  1.3892 311.676  10.893  295.317  15.895  326.161  14.957  77.294  2.0835 81.243  1.8652 -3.948975      2.796359  
1 1 1 -15 -6  3  o 84.132  2.0782 349.963  17.258  394.155  100.914 348.632  17.516  85.981  12.236 83.969  2.1134 2.011604       12.41738  
1 1 1 -15 -6  4  o 45.093  1.2230 100.426  5.4436  102.991  8.9086  98.899   6.8768  45.638  1.9776 44.739  1.5573 0.8993378      2.517184  
1 1 1 -15 -6  5  o 38.562  1.4853 73.478   5.6532  78.026   8.0584  69.070   7.9328  39.662  2.0656 37.300  2.1640 2.361927       2.991602  
1 1 1 -15 -6  6  o 91.892  1.5711 417.340  14.250  419.570  19.846  414.966  20.474  92.076  2.1837 91.560  2.2656 0.5162354      3.146644  
1 1 1 -15 -6  7  o 34.459  1.7135 58.709   5.8278  52.973   7.8880  65.604   8.6479  32.607  2.4692 36.311  2.4268 -3.704563      3.462167  
1 1 1 -15 -5  1  o 17.349  3.0898 15.342   5.0970  11.537   6.6886  20.612   7.8713  15.066  4.2909 20.022  4.1203 -4.956911      5.948843  
1 1 1 -15 -5  2  o 120.676 1.8418 719.523  21.938  736.625  29.549  698.521  32.745  122.047 2.4529 118.812 2.7923 3.234573       3.716663  
1 1 1 -15 -5  3  o 142.514 2.1025 1004.10  29.576  984.022  40.481  1027.08  43.315  140.970 2.9093 143.998 3.0476 -3.027893      4.213278  
1 1 1 -15 -5  4  o 60.913  6.1468 188.102  36.452  198.061  51.658  178.225  51.443  61.731  8.7211 58.322  9.2448 3.408863       12.70921  
1 1 1 -15 -5  5  o 66.226  1.3902 216.671  9.0871  222.572  12.887  210.835  12.815  67.088  1.9461 65.293  1.9885 1.795753       2.782395  
1 1 1 -15 -5  6  o 40.579  1.4721 81.367   5.8962  84.996   8.4462  77.916   8.2349  41.449  2.0645 39.627  2.1130 1.822056       2.954143  
1 1 1 -15 -5  7  o 105.782 1.6935 553.212  17.682  532.553  25.669  571.866  24.392  103.680 2.5083 107.472 2.2994 -3.791519      3.402821  
1 1 1 -15 -5  8  o 85.366  1.4881 360.189  12.539  358.806  17.047  361.819  18.508  85.146  2.0284 85.483  2.1936 -0.3364716     2.987684  
1 1 1 -15 -4  1  o 72.389  1.3308 258.741  9.5087  252.532  13.077  265.704  13.851  71.498  1.8531 73.336  1.9134 -1.838585      2.663682  
1 1 1 -15 -4  2  o 169.105 2.3124 1413.72  38.596  1384.24  52.661  1447.93  56.734  167.202 3.1909 170.975 3.3618 -3.772614      4.635042  
1 1 1 -15 -4  3  o 98.312  1.5589 477.427  15.127  500.395  21.407  454.517  21.380  100.607 2.1557 95.876  2.2592 4.731049       3.122681  
1 1 1 -15 -4  4  o 56.254  1.1325 156.260  6.2883  160.070  8.8951  152.453  8.8908  56.920  1.5833 55.548  1.6216 1.372292       2.266329  
1 1 1 -15 -4  5  o 27.880  2.5713 38.814   6.9962  38.651   7.2672  40.876   25.859  27.807  2.6810 28.131  8.5534 -0.3237572     8.963728  
1 1 1 -15 -4  6  o 100.993 1.8309 504.323  18.251  485.212  22.189  544.303  32.093  99.011  2.2705 104.734 3.1045 -5.723358      3.846201  
1 1 1 -15 -4  7  o 38.526  1.8742 73.404   7.1268  77.518   8.7708  65.408   12.227  39.508  2.2585 36.112  3.4732 3.395992       4.142922  
1 1 1 -15 -4  8  o 115.841 1.7460 663.588  19.963  659.365  28.247  667.802  28.217  115.355 2.4809 116.094 2.4625 -0.7391739     3.495506  
1 1 1 -15 -3  1  o 132.818 1.9370 871.516  25.393  891.966  36.354  852.031  35.485  134.297 2.7425 131.257 2.7390 3.040451       3.876040  
1 1 1 -15 -3  2  o 124.316 1.8457 763.508  22.648  792.542  31.832  733.746  32.229  126.597 2.5475 121.797 2.6809 4.799530       3.698180  
1 1 1 -15 -3  3  o 146.186 2.1671 1056.43  31.269  1042.98  43.883  1070.29  44.567  145.132 3.0634 147.019 3.0712 -1.886810      4.337818  
1 1 1 -15 -3  4  o 54.050  1.2330 144.269  6.5781  135.980  9.4047  152.208  9.2041  52.455  1.8164 55.503  1.6801 -3.047440      2.474308  
1 1 1 -15 -3  5  o 120.565 1.8630 718.586  22.170  728.734  32.544  709.799  30.284  121.298 2.7182 119.736 2.5624 1.562340       3.735606  
1 1 1 -15 -3  6  o 72.880  1.3718 262.404  9.8680  273.943  14.485  252.412  13.480  74.424  1.9719 71.444  1.9115 2.979843       2.746350  
1 1 1 -15 -3  7  o 119.827 1.9379 710.213  22.920  688.488  34.857  726.761  30.422  117.797 2.9980 121.117 2.5447 -3.320267      3.932365  
1 1 1 -15 -3  8  o 35.693  1.7366 62.997   6.1183  62.407   8.2158  63.730   9.1672  35.419  2.3637 35.763  2.6151 -0.3437347     3.525021  
1 1 1 -15 -2  1  o 141.485 2.1303 989.173  29.750  946.506  41.639  1033.67  42.522  138.309 3.0501 144.546 2.9804 -6.236511      4.264472  
1 1 1 -15 -2  2  o 53.804  1.2927 142.938  6.8651  147.254  9.8487  138.859  9.5745  54.596  1.8276 53.017  1.8297 1.579067       2.586083  
1 1 1 -15 -2  3  o 88.199  1.5577 384.235  13.561  374.505  19.078  394.171  19.279  87.037  2.2207 89.296  2.1873 -2.258232      3.117052  
1 1 1 -15 -2  4  o 56.290  1.3062 156.481  7.2572  144.082  10.457  168.000  10.080  53.991  1.9623 58.309  1.7513 -4.318523      2.630178  
1 1 1 -15 -2  5  f 111.912 1.7309 618.971  19.120  614.956  26.900  623.070  27.181  111.471 2.4449 112.203 2.4543 -0.7317505     3.464239  
1 1 1 -15 -2  6  o 86.321  1.5132 368.196  12.893  381.119  18.697  356.479  17.803  87.767  2.1583 84.885  2.1249 2.881203       3.028739  
1 1 1 -15 -2  7  o 99.351  1.6765 487.955  16.440  485.471  23.778  490.230  22.756  99.006  2.4332 99.507  2.3169 -0.5004272     3.359813  
1 1 1 -15 -2  8  o 85.338  1.4524 359.886  12.234  356.056  16.814  364.194  17.834  84.831  2.0081 85.784  2.1062 -0.9531021     2.910132  
1 1 1 -15 -2  9  o 57.416  1.4963 162.947  8.4796  163.172  11.844  162.710  12.145  57.412  2.0901 57.326  2.1465 0.8615494E-01  2.995991  
1 1 1 -15 -1  1  o 235.617 2.9377 2746.38  68.319  2728.88  100.141 2761.61  93.442  234.537 4.3258 236.025 4.0110 -1.488419      5.899209  
1 1 1 -15 -1  2  o 169.869 2.7557 1427.37  46.203  1456.47  68.721  1403.36  62.416  171.361 4.0630 168.268 3.7581 3.092941       5.534498  
1 1 1 -15 -1  3  o 146.790 2.0925 1064.99  30.317  1040.63  42.493  1090.24  43.267  144.991 2.9692 148.409 2.9537 -3.418289      4.188129  
1 1 1 -15 -1  4  o 87.184  1.6136 375.508  13.886  361.436  20.190  388.137  19.127  85.482  2.3929 88.599  2.1872 -3.117630      3.241933  
1 1 1 -15 -1  5  o 28.202  2.0467 39.535   5.6585  35.779   7.9677  43.356   8.0375  26.692  3.0808 29.455  2.7981 -2.763256      4.161860  
1 1 1 -15 -1  6  o 172.547 3.2656 1477.74  55.617  1486.11  59.173  1414.28  162.871 172.973 3.4659 164.599 10.073 8.373703       10.65303  
1 1 1 -15 -1  7  o 68.991  2.6122 235.866  17.789  0.0000   0.0000  235.866  17.789  ?       ?      68.991  2.6122 0.000000       2.612239  
1 1 1 -15 -1  8  o 18.454  6.3565 15.810   14.030  9.7311   20.332  21.334   19.384  18.552  7.3907 21.437  7.4666 -2.885096      10.50578  
1 1 1 -15 -1  9  o 66.360  6.3743 225.335  41.238  223.568  57.778  227.169  58.876  64.850  9.2920 65.325  9.4020 -0.4745407     13.21888  
1 1 1 -15 0   1  o 216.298 7.4187 2345.00  158.386 0.0000   0.0000  2345.00  158.386 ?       ?      216.298 7.4187 0.000000       7.418727  
1 1 1 -15 0   2  o 181.695 6.8608 1652.93  123.041 1646.36  173.940 1659.50  174.073 179.735 9.8421 180.471 9.8090 -0.7359619     13.89543  
1 1 1 -15 0   3  o 118.481 6.3221 704.255  73.666  658.454  103.448 751.376  104.928 113.471 9.3187 121.478 8.8110 -8.006622      12.82465  
1 1 1 -15 0   4  o 99.049  6.2040 493.373  60.348  475.724  85.401  510.975  85.288  96.232  9.0990 99.910  8.7364 -3.678192      12.61417  
1 1 1 -15 0   5  o 64.631  6.4243 211.986  40.439  232.958  56.871  190.537  57.514  67.012  8.8118 60.057  10.058 6.954323       13.37198  
1 1 1 -15 0   6  o 73.524  6.2941 274.303  45.236  269.242  63.405  279.551  64.559  71.766  9.1599 73.154  9.1405 -1.387215      12.94030  
1 1 1 -15 0   7  o 72.230  6.2875 265.463  44.379  253.948  62.421  277.233  63.106  69.402  9.3503 72.732  8.9812 -3.329628      12.96496  
1 1 1 -15 0   8  o 76.453  6.2620 297.577  46.840  270.649  65.657  325.486  66.843  71.467  9.5464 78.884  8.7312 -7.417763      12.93709  
1 1 1 -15 0   9  o 73.188  3.1362 266.168  22.656  280.258  64.076  264.155  24.221  72.812  9.1156 72.873  3.3673 -0.6128693E-01 9.717702  
1 1 1 -15 1   1  o 73.583  6.2089 272.086  44.674  282.258  63.080  261.850  63.277  74.315  8.7685 71.420  9.1894 2.894371       12.70164  
1 1 1 -15 1   2  o 116.059 6.2926 675.006  71.815  648.736  101.285 701.564  101.841 112.811 9.1757 117.470 8.8484 -4.658394      12.74706  
1 1 1 -15 1   3  o 69.969  6.2330 246.781  42.596  239.817  60.046  253.835  60.435  68.152  9.1581 70.223  8.9205 -2.071068      12.78455  
1 1 1 -15 1   4  o 39.478  6.8552 80.500   25.743  88.090   34.770  71.291   38.298  40.862  8.8750 36.679  10.205 4.183647       13.52465  
1 1 1 -15 1   5  o 64.016  6.2184 207.701  38.796  208.536  55.075  206.878  54.658  63.235  9.0848 62.991  9.0511 0.2439690      12.82409  
1 1 1 -15 1   6  o 65.815  2.6819 214.605  17.422  227.129  26.142  204.598  23.367  67.443  3.9442 64.043  3.7125 3.400497       5.416612  
1 1 1 -15 1   7  o 73.794  1.4506 269.094  10.566  273.619  16.452  265.918  13.785  74.345  2.2419 73.323  1.9047 1.022362       2.941817  
1 1 1 -15 1   8  o 102.076 1.7926 515.319  18.062  527.274  25.998  504.164  25.111  103.141 2.5537 100.861 2.5224 2.280373       3.589388  
1 1 1 -15 1   9  o 49.692  2.2050 122.284  10.815  109.438  13.536  144.962  17.985  46.857  2.9416 53.873  3.3996 -7.016155      4.495639  
1 1 1 -15 1   10 o 59.278  1.5004 173.729  8.7789  174.807  15.399  173.209  10.686  59.352  2.6285 59.164  1.8298 0.1883659      3.202703  
1 1 1 -15 2   1  o 29.697  1.1454 43.540   3.3574  30.659   4.7981  55.897   4.6994  24.832  1.9739 33.644  1.4152 -8.812449      2.428806  
1 1 1 -15 2   2  o 70.369  1.2328 244.501  8.5628  233.798  12.109  255.206  12.110  68.792  1.7834 71.876  1.7070 -3.083801      2.468658  
1 1 1 -15 2   3  o 97.856  1.6741 473.068  16.170  473.306  23.090  472.839  22.651  97.828  2.3913 97.783  2.3468 0.4453278E-01  3.350507  
1 1 1 -15 2   4  o 34.548  1.0748 58.932   3.6652  46.808   10.896  60.478   3.8920  30.491  3.6959 34.997  1.1267 -4.506172      3.863844  
1 1 1 -15 2   5  o 155.635 2.1852 1198.14  33.569  1155.71  47.355  1240.99  47.593  152.669 3.1425 158.223 3.0475 -5.554718      4.377512  
1 1 1 -15 2   6  o 132.844 2.1791 873.239  28.573  869.912  42.890  875.894  38.312  132.370 3.2827 132.906 2.9205 -0.5368805     4.393801  
1 1 1 -15 2   7  o 146.824 2.1169 1066.89  30.679  1053.90  42.394  1081.17  44.451  145.735 2.9472 147.580 3.0515 -1.844650      4.242385  
1 1 1 -15 2   8  o 66.436  1.6665 218.237  10.928  221.567  15.591  215.020  15.322  66.877  2.3619 65.882  2.3562 0.9948349      3.336170  
1 1 1 -15 2   9  o 71.120  1.8245 250.229  12.808  241.438  17.844  259.570  18.394  69.775  2.5910 72.349  2.5758 -2.574585      3.653523  
1 1 1 -15 2   10 o 28.881  1.0833 41.203   3.0879  39.740   4.4524  42.559   4.2863  28.302  1.6004 29.302  1.4869 -0.9996586     2.184503  
1 1 1 -15 3   1  o 126.689 1.8623 792.996  23.288  808.849  32.681  776.644  33.192  127.882 2.5891 125.300 2.6838 2.581932       3.729160  
1 1 1 -15 3   2  o 117.662 2.1019 684.302  24.411  671.561  30.062  708.969  41.828  116.512 2.6140 119.593 3.5435 -3.080971      4.403326  
1 1 1 -15 3   3  o 87.468  1.7073 378.000  14.739  381.693  21.779  374.879  20.021  87.836  2.5121 87.063  2.3298 0.7726440      3.426142  
1 1 1 -15 3   4  o 35.716  2.3603 63.384   8.2740  58.858   11.500  68.241   11.913  34.275  3.4461 36.952  3.3010 -2.677006      4.772018  
1 1 1 -15 3   5  o 24.014  1.6750 28.637   3.9453  26.851   4.1860  42.841   11.805  23.233  1.8405 29.035  4.2444 -5.802025      4.626279  
1 1 1 -15 3   6  o 25.523  1.1038 32.171   2.7808  22.223   4.0847  40.764   3.7963  21.103  1.9843 28.725  1.3390 -7.621710      2.393799  
1 1 1 -15 3   7  o 76.573  1.4467 289.766  10.935  288.802  15.990  290.614  14.986  76.386  2.1208 76.639  1.9811 -0.2535172     2.902199  
1 1 1 -15 3   8  o 74.643  1.5075 275.407  11.106  275.013  15.563  275.816  15.854  74.532  2.1155 74.636  2.1521 -0.1046219     3.017797  
1 1 1 -15 3   9  o 21.820  3.7616 24.402   7.8090  22.191   11.903  26.073   10.347  20.631  5.6701 22.375  4.8268 -1.743891      7.446339  
1 1 1 -15 3   10 o 38.390  2.1265 73.230   8.0263  122.408  39.372  71.097   8.1985  47.714  8.6799 37.815  2.2061 9.898487       8.955854  
1 1 1 -15 4   1  o 131.950 2.6611 861.399  34.657  803.910  115.487 867.089  36.332  125.375 9.4007 132.370 2.7808 -6.995033      9.803406  
1 1 1 -15 4   2  f 39.410  1.2029 76.695   4.6794  77.969   6.6372  75.435   6.5982  39.726  1.6927 39.075  1.7108 0.6512566      2.406668  
1 1 1 -15 4   3  o 132.350 1.9792 865.890  25.854  881.538  36.372  849.908  36.758  133.436 2.7616 131.008 2.8426 2.428192       3.963224  
1 1 1 -15 4   4  o 120.638 2.1211 719.764  25.257  764.557  42.499  695.306  31.405  124.116 3.4691 118.495 2.6851 5.620583       4.386869  
1 1 1 -15 4   5  o 44.542  1.5432 98.037   6.7846  92.402   13.857  99.814   7.7810  43.023  3.2881 44.935  1.7543 -1.912544      3.726825  
1 1 1 -15 4   6  o 68.924  1.6674 234.843  11.344  238.957  16.509  231.164  15.613  69.461  2.4080 68.328  2.3150 1.132782       3.340293  
1 1 1 -15 4   7  o 42.101  1.2054 87.564   5.0089  86.936   5.5007  90.609   12.119  41.946  1.3286 42.629  2.8974 -0.6835670     3.187522  
1 1 1 -15 4   8  o 87.995  1.5860 382.844  13.775  402.202  20.414  366.663  18.665  90.101  2.2955 86.042  2.1978 4.058945       3.177944  
1 1 1 -15 4   9  o 69.888  1.5755 241.515  10.868  246.945  14.094  233.551  17.070  70.625  2.0218 68.622  2.5201 2.002502       3.230896  
1 1 1 -15 4   10 o 110.268 1.9827 602.106  21.579  598.111  31.230  605.757  29.852  109.694 2.8844 110.431 2.7387 -0.7377167     3.977470  
1 1 1 -15 5   1  o 67.339  1.4304 223.968  9.5074  222.755  13.547  225.145  13.346  67.129  2.0446 67.490  2.0034 -0.3613129     2.862531  
1 1 1 -15 5   2  o 104.317 7.2461 551.312  74.146  595.370  91.665  467.926  126.107 107.828 8.6864 92.720  14.234 15.10778       16.67539  
1 1 1 -15 5   3  o 35.163  2.7102 61.588   9.3338  59.288   13.170  63.908   13.230  34.314  3.9612 35.667  3.8175 -1.353004      5.501301  
1 1 1 -15 5   4  o 35.885  2.6924 64.144   9.4670  65.582   13.452  62.732   13.326  36.120  3.8316 35.308  3.8882 0.8121414      5.458909  
1 1 1 -15 5   5  f 107.717 2.0605 574.034  21.908  604.470  37.685  558.498  26.925  110.289 3.4618 106.177 2.5691 4.112442       4.310946  
1 1 1 -15 5   6  o 65.788  1.4195 213.877  9.2175  231.173  12.867  195.645  13.211  68.360  1.9070 62.869  2.1289 5.490498       2.858096  
1 1 1 -15 5   7  o 54.304  1.9853 145.951  10.641  149.512  15.512  142.784  14.626  54.803  2.8777 53.568  2.7757 1.234203       3.998194  
1 1 1 -15 5   8  o 45.245  1.4544 101.195  6.4950  102.280  7.3677  97.411   13.758  45.477  1.6414 44.144  3.1789 1.333279       3.577614  
1 1 1 -15 5   9  o 51.784  1.1897 132.496  6.0811  135.818  8.6660  129.273  8.5354  52.399  1.6756 51.120  1.6916 1.279179       2.380967  
1 1 1 -15 5   10 o 125.090 2.1539 775.495  26.594  769.260  36.883  782.247  38.380  124.339 3.0053 125.351 3.1020 -1.011749      4.319066  
1 1 1 -15 6   1  o 50.362  2.1231 125.418  10.554  128.086  14.857  122.700  14.994  50.760  2.9783 49.666  3.0738 1.094437       4.280009  
1 1 1 -15 6   2  o 143.083 2.3586 1013.00  33.310  996.147  45.121  1033.18  49.380  141.727 3.2255 144.283 3.4674 -2.555832      4.735665  
1 1 1 -15 6   3  o 62.786  2.0344 194.960  12.608  194.960  12.608  0.0000   0.0000  62.786  2.0344 ?       ?      0.000000       2.034406  
1 1 1 -15 6   4  o 83.153  1.6781 341.785  13.773  345.203  19.017  338.014  19.974  83.509  2.3071 82.619  2.4494 0.8898468      3.364896  
1 1 1 -15 6   5  o 67.176  1.8221 223.176  12.081  222.483  17.253  223.842  16.923  66.997  2.6091 67.208  2.5511 -0.2107315     3.648979  
1 1 1 -15 6   6  o 42.757  2.3296 90.835   9.7945  84.473   13.826  97.244   13.877  41.059  3.4434 44.114  3.2090 -3.055328      4.706877  
1 1 1 -15 6   7  o 73.238  1.5041 265.175  10.873  265.506  15.359  264.843  15.394  73.220  2.1253 73.127  2.1327 0.9237671E-01  3.010837  
1 1 1 -15 6   8  o 52.499  2.0898 136.509  10.829  143.574  15.684  130.072  14.970  53.663  2.9726 51.067  2.9829 2.595486       4.211209  
1 1 1 -15 6   9  o 58.919  1.4971 171.655  8.7066  174.230  12.386  169.140  12.242  59.301  2.1160 58.428  2.1227 0.8733673      2.997247  
1 1 1 -15 6   10 o 55.675  6.7174 161.624  36.169  154.435  50.905  168.953  51.400  52.697  10.155 55.404  9.7555 -2.706791      14.08163  
1 1 1 -15 7   1  o 118.252 2.0420 691.553  23.834  697.596  34.591  686.091  32.885  118.633 2.9541 117.671 2.8313 0.9616089      4.091861  
1 1 1 -15 7   2  o 22.128  1.1593 24.249   2.5232  17.751   3.5826  30.645   3.5543  18.845  1.9544 24.862  1.4547 -6.016932      2.436392  
1 1 1 -15 7   3  o 74.091  1.4508 271.246  10.610  266.324  15.749  275.336  14.356  73.360  2.1750 74.611  1.9494 -1.250893      2.920739  
1 1 1 -15 7   4  o 71.714  1.5363 254.197  10.874  242.872  13.227  277.808  19.100  70.070  1.9125 74.868  2.5847 -4.798241      3.215331  
1 1 1 -15 7   5  o 62.069  1.9475 190.643  11.931  190.403  16.997  190.876  16.753  61.944  2.7799 62.027  2.7364 -0.8207703E-01 3.900729  
1 1 1 -15 7   6  o 50.419  2.2098 125.932  10.997  123.974  15.546  127.893  15.559  49.827  3.1775 50.620  3.1295 -0.7930984     4.459829  
1 1 1 -15 7   7  o 82.467  1.8426 336.579  14.999  332.923  17.961  345.005  27.264  81.966  2.2200 83.231  3.3188 -1.264786      3.992848  
1 1 1 -15 7   8  o 19.621  7.0405 17.241   17.337  17.756   24.466  16.720   24.571  21.491  8.2370 21.275  8.2281 0.2157402      11.64254  
1 1 1 -15 7   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -15 7   10 o 83.349  6.4797 359.712  52.889  340.391  74.228  379.635  75.378  78.818  9.7493 83.651  9.2860 -4.833702      13.46395  
1 1 1 -15 8   1  o 84.293  1.6242 351.195  13.513  372.317  19.054  329.821  19.168  86.732  2.2257 81.616  2.3794 5.116402       3.258073  
1 1 1 -15 8   2  o 114.606 1.9061 649.664  21.562  668.275  31.238  632.726  29.800  116.100 2.7259 112.980 2.6723 3.120132       3.817337  
1 1 1 -15 8   3  o 11.397  1.3806 6.5123   1.5214  4.8891   2.2219  7.9451   2.0876  9.7415  2.3401 12.558  1.7300 -2.816809      2.910205  
1 1 1 -15 8   4  o 78.963  1.6781 308.344  13.079  293.947  22.629  315.565  16.027  76.928  2.9802 79.844  2.0337 -2.915558      3.608007  
1 1 1 -15 8   5  o 40.754  10.620 92.439   43.153  92.439   43.153  0.0000   0.0000  40.754  10.620 ?       ?      0.000000       10.62019  
1 1 1 -15 8   6  o 56.014  6.7575 162.847  36.606  173.874  53.072  152.840  50.557  56.431  9.8888 52.736  10.080 3.695026       14.12090  
1 1 1 -15 8   7  o 23.599  7.3509 28.857   18.962  36.635   27.111  21.409   26.531  26.696  8.8366 22.799  8.6156 3.896887       12.34157  
1 1 1 -15 8   8  o 27.340  1.1978 36.939   3.2323  28.355   4.6358  45.060   4.5092  23.844  1.9879 30.146  1.5203 -6.302214      2.502661  
1 1 1 -15 8   9  o 75.748  1.5823 283.891  11.830  284.417  17.109  283.409  16.376  75.713  2.2894 75.595  2.1947 0.1180725      3.171483  
1 1 1 -15 9   1  o 106.308 2.5027 560.148  26.261  555.410  37.107  564.901  37.170  105.626 3.5592 106.531 3.5350 -0.9049530     5.016373  
1 1 1 -15 9   2  o 68.035  6.5116 237.395  43.193  229.980  60.775  244.964  61.398  65.509  9.6917 67.778  9.4334 -2.269089      13.52468  
1 1 1 -15 9   3  o 77.064  9.5283 317.270  70.933  0.0000   0.0000  317.270  70.933  ?       ?      77.064  9.5283 0.000000       9.528326  
1 1 1 -15 9   4  f 25.734  9.2022 31.242   29.594  0.0000   0.0000  31.242   29.594  ?       ?      25.734  9.2022 0.000000       9.202234  
1 1 1 -15 9   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -15 9   6  o 48.698  2.3466 117.634  11.279  115.134  15.550  120.411  16.385  47.948  3.3059 49.017  3.4077 -1.069595      4.747817  
1 1 1 -15 9   7  o 33.573  3.4772 56.854   11.356  52.962   18.024  59.416   14.623  31.746  5.9714 34.103  4.4501 -2.356886      7.447227  
1 1 1 -15 9   8  o 79.871  1.4488 315.514  11.422  301.750  16.157  329.265  16.149  78.018  2.0981 81.513  2.0072 -3.494987      2.903587  
1 1 1 -15 9   9  o 19.715  1.4904 19.339   2.8788  19.527   2.9588  15.990   12.470  19.807  1.5251 18.021  5.9943 1.786068       6.185225  
1 1 1 -15 10  1  o 42.230  7.2939 94.086   29.304  94.635   41.630  93.546   41.256  41.292  10.260 41.066  10.219 0.2262230      14.48077  
1 1 1 -15 10  2  o 75.666  6.4807 294.497  47.934  283.370  67.188  306.032  68.405  72.501  9.6269 75.538  9.3763 -3.036583      13.43850  
1 1 1 -15 10  3  o 89.342  1.7556 395.008  15.482  388.233  22.283  401.329  21.526  88.439  2.5527 89.943  2.4247 -1.504509      3.520720  
1 1 1 -15 10  4  o 51.055  2.3210 129.288  11.696  123.539  17.054  134.393  16.072  49.630  3.5039 51.851  3.1553 -2.220673      4.715212  
1 1 1 -15 10  5  o 31.666  1.1216 49.547   3.5056  47.644   4.9462  51.468   4.9692  30.989  1.6227 32.256  1.5608 -1.266584      2.251532  
1 1 1 -15 10  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -15 10  7  o 60.671  1.4949 182.093  8.9522  185.640  12.410  178.245  12.926  61.195  2.0546 59.947  2.1846 1.248581       2.998987  
1 1 1 -15 10  8  o 42.247  1.0537 88.194   4.3940  85.937   7.3632  89.443   5.4760  41.653  1.7910 42.531  1.3044 -0.8774300     2.215651  
1 1 1 -15 11  1  o 49.114  2.8325 120.339  13.673  121.511  16.945  118.153  23.147  49.213  3.5115 48.142  4.9413 1.071083       6.061963  
1 1 1 -15 11  2  o 79.190  1.7061 310.361  13.336  307.718  19.257  312.797  18.486  78.729  2.4781 79.398  2.3589 -0.6690903     3.421279  
1 1 1 -15 11  3  o 72.772  2.0619 262.472  14.810  261.167  20.900  263.788  20.990  72.436  2.9232 72.799  2.9212 -0.3629837     4.132599  
1 1 1 -15 11  4  o 67.230  2.0405 224.019  13.541  233.099  19.301  215.220  19.001  68.438  2.8573 65.747  2.9279 2.690773       4.091077  
1 1 1 -15 11  5  o 38.080  1.1457 71.663   4.3063  68.592   6.1173  74.680   6.0631  37.226  1.6649 38.848  1.5812 -1.622528      2.296084  
1 1 1 -15 11  6  o 24.814  1.2731 30.522   3.1076  27.553   4.4914  33.248   4.3043  23.498  1.9542 25.859  1.6958 -2.360849      2.587373  
1 1 1 -15 11  7  f 67.560  2.2399 226.596  14.937  226.596  14.937  0.0000   0.0000  67.560  2.2399 ?       ?      0.000000       2.239929  
1 1 1 -15 11  8  o 36.798  1.4750 67.014   5.3575  69.907   5.7696  48.904   14.436  37.578  1.5555 30.653  4.9391 6.925362       5.178245  
1 1 1 -15 12  1  o 47.392  1.0394 110.974  4.8619  107.951  6.8857  113.979  6.8660  46.714  1.4934 48.004  1.4491 -1.289764      2.080859  
1 1 1 -15 12  2  o 48.416  1.7713 116.078  8.4648  113.589  9.2416  129.041  21.094  47.876  1.9557 50.468  4.2746 -2.591888      4.700751  
1 1 1 -15 12  3  o 25.922  1.3377 33.317   3.4111  32.558   4.8612  34.053   4.7875  25.559  1.9415 26.152  1.8670 -0.5929680     2.693517  
1 1 1 -15 12  4  o 40.514  1.0576 81.108   4.2293  86.266   7.2298  78.425   5.2147  41.736  1.7550 39.824  1.3266 1.912010       2.200038  
1 1 1 -15 12  5  o 25.876  1.1448 33.096   2.9240  37.499   4.2591  29.171   4.0213  27.479  1.5769 24.212  1.6933 3.267046       2.313877  
1 1 1 -15 12  6  o 99.344  2.2856 490.265  22.411  460.335  28.405  539.617  36.475  96.039  2.9966 103.742 3.5622 -7.702820      4.654925  
1 1 1 -15 12  7  o 55.998  2.2233 155.790  12.288  160.418  18.353  152.029  16.544  56.505  3.3051 55.074  3.0554 1.430649       4.501016  
1 1 1 -15 13  1  o 25.950  4.0195 34.620   9.9623  23.081   13.889  46.846   14.297  20.961  6.2453 29.997  5.0052 -9.036293      8.003493  
1 1 1 -15 13  2  o 27.442  3.9260 38.582   10.331  43.066   14.747  34.260   14.477  28.603  5.4218 25.337  5.8991 3.265842       8.012184  
1 1 1 -15 13  3  o 14.261  1.1785 10.123   1.6441  9.1511   2.2670  11.202   2.3879  13.480  1.7448 14.951  1.6453 -1.470828      2.398176  
1 1 1 -15 13  4  o 49.257  1.3790 120.036  6.7044  111.161  9.5761  128.568  9.3895  47.330  2.0498 50.925  1.8680 -3.594685      2.773323  
1 1 1 -15 13  5  o 25.492  4.6266 33.945   11.212  26.801   14.462  44.712   17.753  22.366  6.2883 28.786  6.4126 -6.419922      8.981361  
1 1 1 -15 14  1  o 29.412  0.8297 42.733   2.4087  42.323   3.4234  43.134   3.3898  29.256  1.1855 29.536  1.1628 -0.2800789     1.660581  
1 1 1 -15 14  2  o 57.381  1.1464 162.801  6.4932  165.810  9.1924  159.805  9.1731  57.856  1.6097 56.795  1.6363 1.060726       2.295370  
1 1 1 -15 14  3  o 26.642  1.2122 35.106   3.1876  33.561   4.5603  36.582   4.4573  25.955  1.7910 27.119  1.6734 -1.163776      2.451118  
1 1 1 -14 -16 1  f 91.955  1.7259 418.266  15.664  438.746  21.246  393.872  23.187  94.097  2.2875 89.096  2.6367 5.000938       3.490673  
1 1 1 -14 -15 1  o 22.579  3.0430 25.768   6.6092  27.184   8.3144  23.338   10.893  23.065  3.7833 21.139  5.2458 1.926212       6.467702  
1 1 1 -14 -15 2  o 81.419  1.6551 327.815  13.301  321.264  16.855  338.630  21.656  80.549  2.1200 82.620  2.6556 -2.070801      3.398030  
1 1 1 -14 -14 1  o 92.777  1.5792 425.467  14.461  436.281  20.811  415.370  20.109  93.874  2.2460 91.600  2.2242 2.274490       3.160960  
1 1 1 -14 -14 2  o 89.510  2.1803 396.638  19.263  426.961  27.427  367.118  27.061  92.741  2.9962 85.963  3.1893 6.777832       4.375929  
1 1 1 -14 -14 3  f 19.452  3.6019 19.434   6.6611  20.727   7.5291  14.779   14.290  20.044  3.9462 18.130  6.4039 1.913111       7.522117  
1 1 1 -14 -13 1  o 72.461  1.6794 259.543  12.011  265.990  14.731  246.755  20.746  73.328  2.0353 70.533  2.9800 2.795334       3.608721  
1 1 1 -14 -13 2  o 36.234  1.3226 64.861   4.7302  66.263   5.4382  60.507   9.5871  36.617  1.5046 34.819  2.8136 1.797798       3.190632  
1 1 1 -14 -13 3  o 118.522 1.7098 694.557  20.002  658.148  27.897  733.078  28.695  115.261 2.4521 121.658 2.3896 -6.396118      3.423931  
1 1 1 -14 -13 4  o 16.536  3.4406 14.105   5.4328  12.150   6.8922  17.312   8.8288  15.386  4.3466 18.257  4.8261 -2.871086      6.494928  
1 1 1 -14 -12 1  o 29.278  3.4093 43.111   9.6678  47.338   25.783  42.419   10.429  30.010  8.3820 28.985  3.7319 1.025024       9.175217  
1 1 1 -14 -12 2  o 10.891  3.8208 5.2048   5.0802  4.9675   6.8591  5.4933   7.5611  11.649  4.3856 12.231  4.6046 -0.5827255     6.358895  
1 1 1 -14 -12 3  o 30.725  1.9872 46.891   5.9942  59.442   8.2589  32.921   8.7135  34.560  2.4368 25.491  3.5603 9.068098       4.314316  
1 1 1 -14 -12 4  o 56.343  1.4874 156.882  8.2719  154.229  10.883  160.512  12.729  55.835  1.9748 56.939  2.2649 -1.104248      3.004914  
1 1 1 -14 -12 5  o 93.367  1.5440 430.928  14.229  424.886  19.795  437.387  20.467  92.637  2.1649 93.984  2.2063 -1.347054      3.091060  
1 1 1 -14 -11 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 -11 2  o 42.621  1.8139 89.795   7.6309  93.449   9.8644  84.349   12.042  43.397  2.3112 41.146  2.9854 2.251369       3.775479  
1 1 1 -14 -11 3  o 69.596  1.4210 239.307  9.7615  239.853  13.477  238.704  14.158  69.641  1.9606 69.466  2.0649 0.1749039      2.847412  
1 1 1 -14 -11 4  o 128.514 1.7780 816.583  22.554  810.097  31.767  823.176  32.026  127.885 2.5167 128.913 2.5169 -1.028191      3.559309  
1 1 1 -14 -11 5  o 100.883 1.6178 503.090  16.110  542.779  23.513  467.979  22.116  104.704 2.2752 97.218  2.3047 7.486008       3.238561  
1 1 1 -14 -10 1  o 41.329  6.3401 87.391   25.038  76.842   35.430  97.916   35.387  38.123  9.4604 43.265  8.5896 -5.141563      12.77813  
1 1 1 -14 -10 2  o 25.699  6.6171 34.429   16.886  31.397   24.239  37.287   23.537  25.349  8.3538 26.983  8.1505 -1.633396      11.67117  
1 1 1 -14 -10 3  o 118.182 1.7102 690.280  19.950  701.562  28.304  679.142  28.123  119.061 2.4085 117.140 2.4324 1.921173       3.423047  
1 1 1 -14 -10 4  o 64.758  1.4209 207.189  9.0825  207.226  12.744  207.151  12.948  64.729  1.9946 64.715  2.0270 0.1409912E-01  2.843822  
1 1 1 -14 -10 5  o 135.611 2.0170 909.722  26.998  916.262  38.478  903.381  37.890  135.935 2.8678 134.981 2.8439 0.9535065      4.038815  
1 1 1 -14 -10 6  o 70.838  1.4004 247.953  9.7914  253.550  13.297  241.323  14.472  71.598  1.8816 69.831  2.0996 1.766632       2.819344  
1 1 1 -14 -9  1  o 78.395  6.1013 308.603  46.839  319.144  66.302  298.102  66.179  79.068  8.6361 76.291  8.9591 2.776901       12.44372  
1 1 1 -14 -9  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 -9  3  o 159.729 6.6373 1282.63  104.643 1302.71  148.005 1262.56  147.969 159.231 9.4596 156.647 9.6166 2.583420       13.48932  
1 1 1 -14 -9  4  o 69.035  1.6118 235.504  10.983  239.470  13.614  228.110  18.588  69.591  1.9819 67.857  2.7752 1.734039       3.410273  
1 1 1 -14 -9  5  o 46.540  1.4106 107.013  6.4801  114.235  9.4188  100.523  8.9293  48.059  1.9856 45.082  2.0067 2.977650       2.823002  
1 1 1 -14 -9  6  o 88.199  1.4766 384.394  12.855  383.800  18.314  384.970  18.048  88.073  2.1067 88.211  2.0729 -0.1377487     2.955513  
1 1 1 -14 -9  7  o 118.374 1.7241 692.864  20.144  724.619  29.002  663.264  28.001  120.943 2.4295 115.706 2.4518 5.237564       3.451648  
1 1 1 -14 -8  1  o 57.872  6.0981 168.787  34.309  168.294  48.597  169.277  48.444  57.135  8.9078 57.321  8.8472 -0.1851120     12.55476  
1 1 1 -14 -8  2  o 64.103  8.9219 211.585  54.921  232.833  77.496  190.147  77.844  66.177  12.318 59.272  13.595 6.905010       18.34515  
1 1 1 -14 -8  3  o 103.090 6.2236 533.907  63.031  512.445  89.075  555.430  89.203  99.983  9.1266 104.275 8.7478 -4.292381      12.64196  
1 1 1 -14 -8  4  o 111.336 6.2982 624.342  68.928  603.723  97.173  645.222  97.789  108.261 9.1802 112.074 8.9137 -3.813148      12.79565  
1 1 1 -14 -8  5  o 96.999  6.2425 475.436  59.449  481.104  83.831  469.703  84.318  96.434  8.9079 95.189  9.0846 1.245255       12.72324  
1 1 1 -14 -8  6  o 38.098  1.8644 71.770   7.0110  73.382   8.3616  67.955   12.865  38.445  2.2129 36.805  3.5871 1.640217       4.214750  
1 1 1 -14 -8  7  o 69.900  1.6630 241.530  11.474  229.050  21.832  246.293  13.487  67.912  3.2569 70.565  1.9364 -2.652931      3.789084  
1 1 1 -14 -7  1  o 207.715 2.8706 2133.82  58.854  2051.56  87.245  2202.52  79.727  203.395 4.3458 210.859 3.8307 -7.463669      5.793100  
1 1 1 -14 -7  2  o 151.274 3.2372 1132.75  48.335  909.592  124.332 1172.48  52.461  133.737 9.4803 153.872 3.4542 -20.13489      10.09000  
1 1 1 -14 -7  3  o 49.825  6.1609 125.874  29.653  133.964  41.909  117.763  41.963  50.811  8.6674 47.407  9.3001 3.403542       12.71281  
1 1 1 -14 -7  4  o 61.396  6.1535 190.590  36.788  189.732  51.627  191.475  52.435  60.482  8.9153 60.730  9.0216 -0.2480927     12.68359  
1 1 1 -14 -7  5  o 83.294  6.1974 350.361  50.587  341.387  71.246  359.486  71.838  81.189  9.0443 83.412  8.8613 -2.222908      12.66184  
1 1 1 -14 -7  6  o 58.013  6.2302 171.335  35.116  187.003  49.666  155.672  49.657  59.832  8.6620 54.140  9.6463 5.692135       12.96455  
1 1 1 -14 -7  7  o 42.393  6.6866 92.966   27.052  113.965  37.762  70.830   38.771  46.450  8.5515 36.281  10.330 10.16902       13.41040  
1 1 1 -14 -7  8  o 52.786  6.3933 142.878  32.631  157.784  46.093  127.902  46.200  54.636  8.8499 48.668  9.9534 5.968441       13.31882  
1 1 1 -14 -6  1  o 214.105 2.6577 2266.20  56.166  2261.69  79.415  2270.72  79.446  213.707 3.7649 214.135 3.7588 -0.4274292     5.320066  
1 1 1 -14 -6  2  o 133.092 1.8247 874.964  23.971  840.536  34.509  907.064  33.322  130.380 2.6816 135.460 2.4923 -5.079056      3.660902  
1 1 1 -14 -6  3  o 31.302  2.1810 48.661   6.6965  43.645   12.933  50.498   7.8276  29.293  4.6265 31.859  2.5095 -2.565903      5.263243  
1 1 1 -14 -6  4  f 44.841  6.2482 102.460  26.903  110.866  38.484  94.425   37.624  46.056  8.7864 42.323  9.2635 3.732353       12.76763  
1 1 1 -14 -6  5  o 137.003 2.6618 929.106  35.995  940.774  51.628  918.071  50.210  137.647 3.8000 135.989 3.7407 1.658218       5.332235  
1 1 1 -14 -6  6  o 8.5608  3.7680 -1.7320  6.1736  3.5328   11.016  -4.1426  7.4542  13.233  5.3806 8.8282  3.9936 4.404570       6.700728  
1 1 1 -14 -6  7  o 41.551  6.5324 89.158   25.907  97.402   36.203  80.506   37.088  42.790  8.8634 38.661  9.7273 4.128716       13.15979  
1 1 1 -14 -6  8  o 108.996 6.3446 602.065  67.962  601.542  95.802  602.594  96.427  107.478 9.1167 107.538 9.1722 -0.6006622E-01 12.93229  
1 1 1 -14 -6  9  o 53.283  6.5012 145.972  33.482  147.569  46.690  144.282  48.040  52.519  9.3495 51.745  9.7639 0.7740898      13.51837  
1 1 1 -14 -5  1  o 85.914  1.5525 364.481  13.165  355.076  18.893  373.361  18.357  84.772  2.2579 86.932  2.1393 -2.160553      3.110453  
1 1 1 -14 -5  2  o 211.872 2.6486 2219.31  55.389  2215.03  81.847  2222.93  75.233  211.446 3.9217 211.887 3.5973 -0.4416962     5.321643  
1 1 1 -14 -5  3  o 124.066 1.9894 760.484  24.362  738.927  37.205  776.664  32.233  122.200 3.0846 125.329 2.6056 -3.129364      4.037802  
1 1 1 -14 -5  4  o 92.688  1.4095 424.258  12.895  405.684  17.992  443.875  18.490  90.606  2.0118 94.777  1.9765 -4.171005      2.820256  
1 1 1 -14 -5  5  o 64.930  1.6233 208.275  10.403  209.100  10.607  187.405  53.353  65.057  1.6518 59.990  9.3126 5.067829       9.457911  
1 1 1 -14 -5  6  o 68.217  1.3447 229.854  9.0541  221.163  12.654  238.971  12.960  66.886  1.9167 69.528  1.8885 -2.642502      2.690791  
1 1 1 -14 -5  7  o 114.629 1.8121 649.611  20.503  648.466  28.540  650.832  29.474  114.434 2.5267 114.630 2.6050 -0.1962891     3.629102  
1 1 1 -14 -5  8  o 56.894  1.3900 159.923  7.8056  154.530  10.499  166.589  11.672  55.899  1.9028 58.031  2.0377 -2.131371      2.788018  
1 1 1 -14 -5  9  o 69.903  1.3585 241.434  9.3732  241.212  13.122  241.665  13.394  69.832  1.9037 69.895  1.9414 -0.6237793E-01 2.719070  
1 1 1 -14 -4  1  o 50.799  1.2550 127.401  6.2927  119.453  9.7691  133.037  8.2268  49.175  2.0127 51.905  1.6058 -2.729416      2.574770  
1 1 1 -14 -4  2  o 122.252 1.8442 738.205  22.254  782.993  32.143  696.972  30.841  125.856 2.5875 118.738 2.6315 7.117798       3.690522  
1 1 1 -14 -4  3  o 181.682 3.5716 1634.57  64.048  1587.35  78.442  1729.01  110.934 178.872 4.4429 186.271 6.0337 -7.399063      7.493046  
1 1 1 -14 -4  4  o 57.573  1.1435 163.649  6.4979  155.406  10.369  168.979  8.3380  56.085  1.8731 58.496  1.4441 -2.410675      2.365200  
1 1 1 -14 -4  5  o 105.178 1.5813 546.446  16.417  542.457  23.133  550.494  23.301  104.747 2.2375 105.520 2.2372 -0.7730942     3.164099  
1 1 1 -14 -4  6  o 20.654  1.1424 21.129   2.3199  21.914   6.0113  20.991   2.5147  20.818  3.0130 20.579  1.2439 0.2391567      3.259675  
1 1 1 -14 -4  7  o 129.460 1.9285 828.703  24.643  845.179  35.069  812.633  34.636  130.619 2.7201 128.076 2.7398 2.543137       3.860787  
1 1 1 -14 -4  8  o 43.151  1.4827 92.006   6.3148  97.870   8.7764  85.712   9.0929  44.482  1.9989 41.557  2.2248 2.924725       2.990944  
1 1 1 -14 -4  9  o 95.626  1.5453 451.944  14.585  432.167  20.159  473.670  21.129  93.443  2.1857 97.827  2.1882 -4.383812      3.092786  
1 1 1 -14 -4  10 o 21.207  6.7222 22.632   15.788  17.916   22.523  27.188   22.138  21.179  7.9522 23.624  7.9875 -2.444742      11.27110  
1 1 1 -14 -3  1  o 85.049  1.4086 357.136  11.824  342.132  16.493  373.003  16.961  83.224  2.0078 86.899  1.9774 -3.674782      2.818076  
1 1 1 -14 -3  2  o 100.270 1.5570 496.470  15.410  490.817  21.752  502.166  21.833  99.668  2.2111 100.814 2.1941 -1.146576      3.115012  
1 1 1 -14 -3  3  o 275.912 4.0983 3773.36  111.612 3697.62  157.555 3849.66  158.133 272.514 5.8575 278.101 5.7608 -5.586212      8.215675  
1 1 1 -14 -3  4  o 101.828 1.8079 512.210  18.171  518.765  22.418  499.655  31.027  102.453 2.2169 100.477 3.1285 1.975807       3.834346  
1 1 1 -14 -3  5  o 145.986 1.9815 1053.18  28.551  1045.34  40.311  1061.08  40.445  145.343 2.8099 146.434 2.7982 -1.091370      3.965590  
1 1 1 -14 -3  6  o 152.096 2.8536 1145.44  42.839  1021.60  134.721 1159.37  45.185  140.892 9.7475 152.993 2.9922 -12.10187      10.19640  
1 1 1 -14 -3  7  o 82.398  1.4732 335.421  11.982  338.867  17.345  332.276  16.570  82.773  2.1231 81.970  2.0480 0.8026276      2.949896  
1 1 1 -14 -3  8  o 105.281 1.6368 547.830  17.009  535.185  25.043  558.658  23.175  103.964 2.4405 106.251 2.2098 -2.286957      3.292256  
1 1 1 -14 -3  9  f 91.199  1.5261 411.042  13.737  399.779  19.376  422.425  19.480  89.876  2.1842 92.393  2.1360 -2.516129      3.055025  
1 1 1 -14 -3  10 o 42.430  1.2561 88.942   5.2606  91.126   6.2523  83.649   9.7337  42.940  1.4752 41.021  2.4147 1.918564       2.829634  
1 1 1 -14 -2  1  o 206.268 3.2103 2104.64  65.360  2057.85  98.513  2141.43  87.357  203.648 4.9009 207.880 4.2574 -4.232010      6.491920  
1 1 1 -14 -2  2  o 130.325 1.9065 838.948  24.524  811.836  33.471  870.378  36.037  128.151 2.6461 132.682 2.7517 -4.531128      3.817558  
1 1 1 -14 -2  3  o 136.413 2.0103 919.311  27.067  931.822  38.459  907.033  38.101  137.268 2.8386 135.429 2.8503 1.839264       4.022645  
1 1 1 -14 -2  4  o 63.006  1.4890 196.039  9.2603  179.640  13.215  211.858  12.980  60.290  2.2208 65.482  2.0082 -5.192005      2.994115  
1 1 1 -14 -2  5  o 92.194  1.4774 419.781  13.445  416.799  18.423  423.179  19.665  91.837  2.0323 92.530  2.1532 -0.6926193     2.960861  
1 1 1 -14 -2  6  o 44.330  1.0990 97.031   4.8085  95.995   9.1940  97.421   5.6417  44.065  2.1139 44.416  1.2869 -0.3501053     2.474761  
1 1 1 -14 -2  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 -2  8  o 111.283 1.6618 612.080  18.253  606.692  26.130  617.216  25.509  110.703 2.3914 111.670 2.3143 -0.9670181     3.327903  
1 1 1 -14 -2  9  o 26.909  2.0174 36.020   5.3191  34.901   7.6199  37.084   7.4284  26.358  2.9813 27.206  2.8066 -0.8482437     4.094507  
1 1 1 -14 -2  10 o 7.4856  1.3864 2.8574   0.9866  2.8534   0.9952  3.0867   7.5188  7.4782  1.3998 11.202  4.4837 -3.723817      4.697131  
1 1 1 -14 -1  1  o 210.701 2.8392 2194.99  59.047  2179.94  83.235  2210.23  83.776  209.784 4.0198 211.237 4.0181 -1.452850      5.683617  
1 1 1 -14 -1  2  o 42.272  1.2959 88.222   5.4070  73.015   8.9177  97.063   6.7994  38.366  2.3665 44.335  1.5538 -5.969639      2.830976  
1 1 1 -14 -1  3  o 32.348  1.2745 51.663   4.0693  52.746   4.6122  47.858   8.6451  32.684  1.4297 30.977  2.8597 1.706518       3.197193  
1 1 1 -14 -1  4  o 135.778 1.9926 910.841  26.705  876.487  37.330  946.848  38.217  133.116 2.8412 138.361 2.7984 -5.244583      3.987912  
1 1 1 -14 -1  5  o 73.748  1.4665 268.600  10.675  268.978  15.351  268.246  14.854  73.773  2.1082 73.676  2.0427 0.9719086E-01  2.935436  
1 1 1 -14 -1  6  o 50.695  1.1917 126.903  5.9633  129.548  8.6723  124.531  8.2131  51.206  1.7159 50.207  1.6573 0.9993744      2.385566  
1 1 1 -14 -1  7  o 44.854  1.1710 99.352   5.1843  114.938  7.7407  86.675   6.9813  48.230  1.6260 41.881  1.6888 6.349464       2.344367  
1 1 1 -14 -1  8  o 75.675  2.0681 283.272  15.448  281.639  15.905  310.475  64.920  75.451  2.1356 77.362  8.6500 -1.911240      8.909734  
1 1 1 -14 -1  9  o 64.061  1.4082 202.770  8.9040  196.391  12.488  209.366  12.699  63.007  2.0080 65.057  1.9776 -2.050495      2.818361  
1 1 1 -14 -1  10 o 29.466  1.9749 43.148   5.7105  44.255   8.3087  42.157   7.8616  29.732  2.8667 29.025  2.7781 0.7074852      3.992012  
1 1 1 -14 -1  11 o 50.348  1.4125 125.283  7.0197  121.970  8.4886  132.450  12.485  49.660  1.7318 51.694  2.4468 -2.034138      2.997679  
1 1 1 -14 0   1  o 146.273 2.3377 1057.27  33.752  1122.27  48.380  995.640  47.109  150.613 3.2544 141.850 3.3646 8.763062       4.681023  
1 1 1 -14 0   2  o 128.855 1.9425 820.170  24.706  821.627  35.189  818.754  34.694  128.909 2.7656 128.686 2.7314 0.2226257      3.887073  
1 1 1 -14 0   3  o 165.602 2.3535 1355.36  38.469  1362.14  54.908  1348.82  53.914  165.894 3.3533 165.087 3.3087 0.8065643      4.710802  
1 1 1 -14 0   4  o 93.358  1.4680 430.402  13.528  443.542  19.233  417.536  19.031  94.745  2.0566 91.924  2.0975 2.821716       2.937499  
1 1 1 -14 0   5  o 106.968 1.7623 565.252  18.607  570.259  25.764  559.794  26.901  107.393 2.4305 106.392 2.5617 1.001015       3.531226  
1 1 1 -14 0   6  o 125.860 1.9473 782.877  24.191  816.382  35.061  752.431  33.422  128.433 2.7657 123.302 2.7461 5.130440       3.897511  
1 1 1 -14 0   7  o 94.603  1.6075 442.190  15.010  457.288  21.437  427.669  21.024  96.151  2.2588 92.982  2.2908 3.168945       3.217148  
1 1 1 -14 0   8  o 17.965  1.2851 16.024   2.2637  16.484   7.1818  15.973   2.3853  17.842  4.1555 17.930  1.3579 -0.8860397E-01 4.371715  
1 1 1 -14 0   9  o 35.699  1.6782 63.000   5.9132  57.687   8.2267  68.680   8.5052  34.039  2.4653 37.172  2.3299 -3.133068      3.392079  
1 1 1 -14 0   10 o 92.404  1.5252 422.023  13.911  409.718  19.611  434.486  19.736  90.976  2.1840 93.692  2.1341 -2.715950      3.053565  
1 1 1 -14 0   11 o 76.347  1.5814 288.177  11.917  268.808  16.267  310.609  17.507  73.671  2.2371 79.192  2.2397 -5.520836      3.165608  
1 1 1 -14 1   1  o 201.057 2.7992 1998.72  55.549  1985.27  78.647  2012.11  78.471  200.189 3.9802 201.544 3.9446 -1.355530      5.603781  
1 1 1 -14 1   2  o 178.399 2.7940 1573.73  49.199  1606.93  70.079  1541.45  69.086  180.098 3.9423 176.386 3.9682 3.711929       5.593568  
1 1 1 -14 1   3  o 80.010  1.4736 316.115  11.638  323.985  16.568  308.450  16.351  80.978  2.0728 79.011  2.0966 1.966286       2.948252  
1 1 1 -14 1   4  o 87.326  1.5544 376.606  13.398  369.483  18.570  384.338  19.349  86.467  2.1759 88.186  2.2229 -1.718506      3.110622  
1 1 1 -14 1   5  o 129.230 1.9140 825.163  24.413  838.295  33.447  810.189  35.715  130.189 2.6029 127.963 2.8277 2.226204       3.843317  
1 1 1 -14 1   6  f 161.463 2.2850 1289.14  36.416  1310.11  51.413  1268.03  51.586  162.618 3.2031 159.972 3.2670 2.645721       4.575315  
1 1 1 -14 1   7  o 109.491 1.7468 592.439  18.878  544.690  26.508  641.581  26.892  104.904 2.5601 113.874 2.3926 -8.969566      3.504024  
1 1 1 -14 1   8  o 26.560  0.8388 34.826   2.1990  32.978   3.1281  36.632   3.0918  25.840  1.2265 27.235  1.1501 -1.394991      1.681400  
1 1 1 -14 1   9  o 59.436  1.5589 174.602  9.1457  182.360  11.670  162.253  14.724  60.717  1.9473 57.220  2.6070 3.497120       3.253941  
1 1 1 -14 1   10 o 74.395  6.2452 281.896  45.434  280.053  64.080  283.759  64.429  72.916  9.1018 73.411  9.0858 -0.4953690     12.86060  
1 1 1 -14 1   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 2   1  o 284.792 3.8043 4017.07  106.938 4156.41  156.152 3894.00  146.753 289.139 5.4715 279.922 5.3115 9.216949       7.625566  
1 1 1 -14 2   2  f 176.335 2.3933 1536.82  41.655  1541.94  60.972  1532.33  57.043  176.481 3.5002 175.963 3.2843 0.5173340      4.799830  
1 1 1 -14 2   3  o 125.919 1.8983 783.276  23.593  775.708  34.118  790.212  32.661  125.241 2.7599 126.420 2.6175 -1.178604      3.803745  
1 1 1 -14 2   4  o 131.510 2.0420 854.594  26.506  883.660  39.828  831.484  35.513  133.630 3.0196 129.652 2.7750 3.977997       4.101072  
1 1 1 -14 2   5  o 147.639 2.2376 1077.52  32.608  1089.25  44.289  1063.62  48.185  148.339 3.0249 146.536 3.3315 1.802826       4.499832  
1 1 1 -14 2   6  o 183.010 4.1222 1663.70  74.462  1697.51  176.349 1656.37  82.144  181.863 9.8610 182.474 4.5608 -0.6109161     10.86463  
1 1 1 -14 2   7  o 56.246  14.206 176.437  78.885  0.0000   0.0000  176.437  78.885  ?       ?      56.246  14.206 0.000000       14.20560  
1 1 1 -14 2   8  o 90.549  6.1725 414.719  54.838  379.399  77.141  450.803  77.970  85.278  9.3162 93.411  8.5516 -8.133217      12.64602  
1 1 1 -14 2   9  o 93.868  6.2559 447.198  57.630  431.015  81.321  463.524  81.682  90.711  9.2103 94.284  8.8819 -3.572975      12.79521  
1 1 1 -14 2   10 o 120.598 6.4287 739.535  76.248  697.970  107.442 781.708  108.225 115.144 9.5396 122.281 9.0307 -7.137474      13.13607  
1 1 1 -14 2   11 o 16.987  4.6715 14.917   8.0768  12.290   12.825  16.644   10.398  16.844  6.0543 18.064  5.4084 -1.219379      8.118235  
1 1 1 -14 3   1  o 136.309 6.3455 926.519  85.374  983.697  121.137 870.090  120.340 139.514 8.8425 130.988 9.3697 8.526520       12.88334  
1 1 1 -14 3   2  o 147.754 2.7169 1079.56  39.623  1048.21  55.471  1112.22  56.619  145.446 3.8639 149.826 3.8286 -4.380264      5.439516  
1 1 1 -14 3   3  o 70.790  7.1579 253.366  49.326  262.201  85.215  248.915  60.491  70.327  12.745 69.679  9.0061 0.6478958      15.60621  
1 1 1 -14 3   4  o 29.052  9.1900 42.272   29.519  0.0000   0.0000  42.272   29.519  ?       ?      29.052  9.1900 0.000000       9.189981  
1 1 1 -14 3   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 3   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 3   7  o 35.910  6.9508 67.156   23.746  73.068   33.686  61.317   33.479  37.041  9.2435 34.028  9.5680 3.012360       13.30372  
1 1 1 -14 3   8  o 90.144  1.7291 401.690  15.385  426.476  25.484  387.477  19.299  92.761  2.7834 88.488  2.2096 4.273041       3.553798  
1 1 1 -14 3   9  o 102.950 1.7683 524.109  17.968  512.158  26.021  535.002  24.841  101.653 2.5934 103.924 2.4217 -2.270729      3.548341  
1 1 1 -14 3   10 f 20.641  1.0239 21.043   2.0860  30.538   3.0719  12.917   2.8417  24.830  1.2575 16.057  1.8255 8.773127       2.216679  
1 1 1 -14 3   11 o 65.981  2.1803 215.613  14.200  215.613  14.200  0.0000   0.0000  65.981  2.1803 ?       ?      0.000000       2.180340  
1 1 1 -14 4   1  o 177.705 6.8168 1578.30  119.567 1531.71  168.894 1625.11  169.293 173.600 9.8977 178.973 9.6187 -5.372757      13.80157  
1 1 1 -14 4   2  o 227.883 7.4042 2603.02  166.541 2656.94  235.874 2549.42  235.178 228.484 10.459 223.687 10.652 4.796936       14.92822  
1 1 1 -14 4   3  o 103.395 7.3786 538.878  74.807  548.108  91.880  520.728  128.843 103.735 9.0645 99.260  13.501 4.475533       16.26178  
1 1 1 -14 4   4  o 63.113  6.3965 201.179  39.296  210.646  56.064  192.037  55.095  63.864  9.1559 60.828  9.4860 3.036057       13.18388  
1 1 1 -14 4   5  o 22.632  5.4010 26.564   11.897  22.387   23.037  28.084   13.893  22.686  8.1184 23.267  6.0080 -0.5813675     10.09971  
1 1 1 -14 4   6  o 123.428 1.9799 753.092  24.120  759.256  34.530  747.217  33.708  123.826 2.8252 122.847 2.7800 0.9790726      3.963555  
1 1 1 -14 4   7  o 25.107  1.0652 31.127   2.6398  31.066   2.7005  32.429   12.520  25.082  1.0908 25.011  5.2394 0.7103348E-01  5.351727  
1 1 1 -14 4   8  o 2.6421  1.3387 -6.3248  1.7605  5.7237   9.6420  -6.7403  1.7906  13.303  5.1517 ?       ?      0.000000       5.151724  
1 1 1 -14 4   9  o 52.951  1.9604 138.724  10.246  144.915  15.014  133.326  14.018  53.972  2.8281 51.774  2.7529 2.198193       3.946730  
1 1 1 -14 4   10 o 38.089  1.4248 71.704   5.3566  74.905   6.2290  62.618   10.495  38.922  1.6214 35.375  3.0352 3.546261       3.441113  
1 1 1 -14 4   11 o 72.248  1.5295 258.074  10.907  249.009  15.274  267.506  15.581  70.902  2.1826 73.492  2.1479 -2.590439      3.062194  
1 1 1 -14 4   12 o 134.064 6.6645 921.593  88.189  902.739  124.128 940.810  125.316 129.645 9.7720 132.495 9.6486 -2.849762      13.73274  
1 1 1 -14 5   1  o 59.170  1.6103 172.916  9.4046  178.760  13.317  167.102  13.283  60.140  2.2435 58.143  2.3145 1.996971       3.223387  
1 1 1 -14 5   2  o 76.713  1.5572 290.642  11.791  291.545  16.513  289.703  16.843  76.804  2.1782 76.559  2.2289 0.2456665      3.116462  
1 1 1 -14 5   3  f 26.462  3.6604 35.360   9.3046  32.924   11.719  39.515   15.306  25.313  4.8670 27.639  5.7955 -2.326103      7.568092  
1 1 1 -14 5   4  o 97.612  2.0578 470.937  19.826  466.844  24.811  478.169  32.977  97.144  2.5875 98.231  3.4012 -1.086494      4.273575  
1 1 1 -14 5   5  o 99.133  1.7651 485.599  17.271  488.293  24.261  482.829  24.594  99.349  2.4741 98.786  2.5223 0.5621490      3.533108  
1 1 1 -14 5   6  f 100.336 1.6939 497.492  16.776  494.233  23.946  500.633  23.510  99.939  2.4275 100.590 2.3679 -0.6514893     3.391100  
1 1 1 -14 5   7  o 42.697  2.3735 90.514   9.9635  90.687   14.552  90.361   13.671  42.591  3.4922 42.545  3.2807 0.4544830E-01  4.791523  
1 1 1 -14 5   8  o 56.865  1.6652 159.855  9.3465  108.920  23.637  169.294  10.176  46.303  5.2656 58.513  1.7619 -12.21040      5.552593  
1 1 1 -14 5   9  o 103.654 1.8113 531.461  18.532  531.852  26.287  531.075  26.129  103.572 2.5714 103.499 2.5577 0.7315826E-01  3.626810  
1 1 1 -14 5   10 o 30.423  2.9124 46.383   8.6388  46.820   12.825  46.020   11.688  30.275  4.4225 30.094  4.0365 0.1806679      5.987648  
1 1 1 -14 5   11 o 77.710  1.7554 298.776  13.465  295.733  19.340  301.637  18.757  77.209  2.5378 77.992  2.4366 -0.7827377     3.518183  
1 1 1 -14 5   12 o 106.285 2.4989 560.698  26.215  587.571  95.352  558.500  27.266  104.707 9.3237 106.051 2.6048 -1.343430      9.680716  
1 1 1 -14 6   1  o 149.037 2.1788 1097.87  32.051  1104.33  44.110  1090.65  46.652  149.375 2.9918 148.419 3.1845 0.9563599      4.369434  
1 1 1 -14 6   2  o 59.883  1.3758 177.086  8.1320  164.310  11.643  189.253  11.363  57.660  2.0458 61.890  1.8601 -4.229404      2.764998  
1 1 1 -14 6   3  o 140.540 2.5601 977.061  35.514  997.266  67.641  969.372  41.728  141.560 4.8410 139.922 3.0214 1.637909       5.706517  
1 1 1 -14 6   4  o 27.163  3.9893 37.407   10.377  34.267   14.581  40.631   14.772  25.676  5.8799 28.051  5.5319 -2.374729      8.073103  
1 1 1 -14 6   5  o 104.632 1.7956 541.061  18.545  532.619  26.305  549.403  26.148  103.736 2.5690 105.365 2.5142 -1.628105      3.594628  
1 1 1 -14 6   6  o 35.277  2.6868 61.992   9.2852  56.181   13.013  68.019   13.252  33.369  4.0329 36.819  3.6965 -3.450260      5.470699  
1 1 1 -14 6   7  f 43.219  1.2386 92.266   5.2836  95.698   7.5077  88.898   7.4371  43.998  1.7288 42.404  1.7769 1.594048       2.479148  
1 1 1 -14 6   8  o 74.845  1.8035 277.050  13.323  276.086  19.539  277.888  18.215  74.621  2.6528 74.888  2.4642 -0.2668915     3.620698  
1 1 1 -14 6   9  o 26.001  1.4269 33.515   3.6480  33.940   3.8078  28.773   12.726  26.161  1.4807 23.420  5.5838 2.741432       5.776779  
1 1 1 -14 6   10 o 44.998  1.3275 100.070  5.8960  94.594   8.1293  106.147  8.5640  43.719  1.8839 46.312  1.8735 -2.593487      2.656856  
1 1 1 -14 6   11 o 39.612  1.3043 77.553   5.0995  88.830   7.2329  66.407   7.1908  42.371  1.7294 36.565  2.0000 5.805954       2.644033  
1 1 1 -14 6   12 o 59.071  6.7134 181.683  38.447  184.351  53.914  178.923  54.844  57.913  9.7801 56.821  10.151 1.091698       14.09610  
1 1 1 -14 7   1  o 86.988  1.7624 373.850  15.132  355.027  21.362  392.805  21.438  84.718  2.5547 89.121  2.4371 -4.402634      3.530684  
1 1 1 -14 7   2  o 79.444  1.8118 311.857  14.207  322.320  20.381  301.967  19.814  80.716  2.5582 78.125  2.5695 2.590752       3.625858  
1 1 1 -14 7   3  o 76.178  1.4623 286.641  10.995  305.436  16.995  273.109  14.420  78.594  2.1908 74.333  1.9654 4.261467       2.943138  
1 1 1 -14 7   4  o 161.584 3.1800 1294.27  50.717  1100.54  145.665 1320.99  54.103  145.739 10.190 163.202 3.3586 -17.46349      10.72959  
1 1 1 -14 7   5  o 19.904  1.5227 19.689   2.9690  19.632   3.0608  20.606   12.211  19.871  1.5735 20.061  5.8237 -0.1901264     6.032492  
1 1 1 -14 7   6  o 26.693  3.4742 35.981   8.9365  39.312   12.685  32.699   12.592  27.661  4.8215 25.096  5.2519 2.564291       7.129438  
1 1 1 -14 7   7  o 54.255  1.9983 145.638  10.701  142.358  15.398  148.702  14.882  53.485  2.9279 54.691  2.7659 -1.205894      4.027791  
1 1 1 -14 7   8  o 67.178  1.4416 223.051  9.5588  235.867  13.633  210.657  13.406  69.033  2.0008 65.232  2.0821 3.801254       2.887637  
1 1 1 -14 7   9  o 81.916  1.8459 332.059  14.925  347.235  22.609  320.337  19.870  83.631  2.7389 80.366  2.5049 3.265358       3.711645  
1 1 1 -14 7   10 o 23.306  1.0892 26.832   2.5056  32.418   3.6855  22.031   3.4167  25.565  1.4667 21.039  1.6588 4.525663       2.214218  
1 1 1 -14 7   11 o 50.279  2.2864 125.356  11.347  119.093  15.898  131.859  16.200  48.769  3.3224 51.350  3.2124 -2.581917      4.621486  
1 1 1 -14 8   1  o 265.841 3.2950 3503.14  86.458  3473.51  122.377 3532.66  122.163 264.118 4.6943 266.381 4.6462 -2.263367      6.604846  
1 1 1 -14 8   2  o 84.955  1.6950 356.627  14.214  363.481  20.356  350.105  19.855  85.714  2.4060 84.123  2.3913 1.590599       3.392233  
1 1 1 -14 8   3  o 139.246 2.1279 958.903  29.246  981.364  41.205  936.102  41.516  140.730 2.9664 137.428 3.0606 3.301483       4.262261  
1 1 1 -14 8   4  o 60.973  1.1805 183.601  7.1042  189.746  10.055  177.475  10.039  61.964  1.6440 59.924  1.6973 2.039909       2.362933  
1 1 1 -14 8   5  o 110.515 6.3967 618.364  69.478  682.883  99.735  557.533  96.842  114.853 8.8665 103.296 9.6085 11.55680       13.07432  
1 1 1 -14 8   6  o 44.980  2.2381 100.162  9.9365  94.798   14.212  105.292  13.898  43.553  3.3312 45.952  3.0821 -2.399708      4.538316  
1 1 1 -14 8   7  o 40.118  2.3905 80.031   9.4230  84.896   13.794  75.775   12.903  41.166  3.4258 38.881  3.3963 2.284801       4.823989  
1 1 1 -14 8   8  o 42.060  1.3044 87.421   5.4152  85.719   7.7157  89.073   7.6022  41.618  1.8783 42.428  1.8153 -0.8101692     2.612118  
1 1 1 -14 8   9  o 58.792  2.0854 171.221  12.101  184.112  18.293  161.189  16.137  60.760  3.0600 56.876  2.8840 3.884163       4.204860  
1 1 1 -14 8   10 o 26.621  5.0085 36.865   12.677  30.974   19.148  41.462   16.916  24.306  7.3536 27.970  6.2809 -3.664335      9.670854  
1 1 1 -14 8   11 o 42.064  13.295 104.853  61.790  104.853  61.790  0.0000   0.0000  42.064  13.295 ?       ?      0.000000       13.29487  
1 1 1 -14 9   1  o 96.402  1.8732 459.411  17.824  459.145  25.363  459.671  25.054  96.291  2.6686 96.350  2.6345 -0.5924988E-01 3.749953  
1 1 1 -14 9   2  o 99.849  1.9146 492.939  18.870  491.803  26.798  494.056  26.575  99.640  2.7248 99.872  2.6959 -0.2318802     3.833045  
1 1 1 -14 9   3  o 90.188  1.7559 402.086  15.631  411.842  22.489  392.968  21.741  91.198  2.4984 89.087  2.4725 2.111198       3.515001  
1 1 1 -14 9   4  o 55.030  1.6080 149.676  8.7341  161.193  16.080  144.856  10.402  56.943  2.8702 54.117  1.9474 2.825153       3.468500  
1 1 1 -14 9   5  o 63.550  1.4692 199.588  9.2156  204.233  13.300  195.298  12.781  64.239  2.0976 62.821  2.0613 1.417923       2.940859  
1 1 1 -14 9   6  o 99.401  2.3560 489.560  23.115  496.334  24.032  405.854  84.479  100.073 2.4330 87.174  9.9989 12.89912       10.29069  
1 1 1 -14 9   7  o 34.553  2.7641 59.651   9.3481  55.862   13.650  62.997   12.828  33.143  4.2722 35.342  3.7339 -2.199772      5.673973  
1 1 1 -14 9   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 9   9  o 11.303  5.2138 -10.1278 13.537  -16.0564 19.484  -4.5944  18.823  13.271  6.1679 14.824  6.5494 -1.552826      8.996479  
1 1 1 -14 9   10 f 13.523  5.9420 -3.1467  15.297  -18.5082 25.809  5.1721   18.993  15.498  7.1665 16.870  6.9839 -1.371738      10.00665  
1 1 1 -14 9   11 o 67.597  1.5755 226.106  10.512  221.142  16.541  229.469  13.614  66.714  2.5120 68.038  2.0272 -1.324440      3.227994  
1 1 1 -14 10  1  o 109.462 1.8536 592.494  20.026  603.998  28.139  580.685  28.508  110.417 2.5819 108.251 2.6681 2.165939       3.712814  
1 1 1 -14 10  2  o 56.571  2.0637 158.346  11.523  157.211  16.356  159.464  16.237  56.216  2.9582 56.625  2.9150 -0.4090080     4.153060  
1 1 1 -14 10  3  o 172.433 2.6254 1473.84  44.683  1478.28  63.617  1469.51  62.775  172.304 3.7406 171.808 3.7018 0.4966278      5.262644  
1 1 1 -14 10  4  o 106.612 1.9013 562.334  20.008  554.092  28.454  570.395  28.139  105.689 2.7276 107.246 2.6582 -1.557327      3.808664  
1 1 1 -14 10  5  o 63.642  2.2531 200.651  14.153  194.924  26.680  202.894  16.696  62.254  4.3696 63.950  2.6451 -1.696121      5.107852  
1 1 1 -14 10  6  o 45.134  7.3003 107.227  31.412  105.891  46.908  108.314  42.296  43.427  10.947 44.331  9.9146 -0.9040031     14.76927  
1 1 1 -14 10  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 10  8  o 59.552  6.9912 185.296  40.312  190.616  56.737  179.872  57.287  58.715  10.158 56.724  10.622 1.991112       14.69741  
1 1 1 -14 10  9  o 90.247  1.7203 403.139  15.324  390.746  22.297  414.233  21.096  88.693  2.5470 91.366  2.3393 -2.672829      3.458239  
1 1 1 -14 10  10 f 27.997  1.2617 38.751   3.4866  36.685   5.0102  40.691   4.8551  27.148  1.8813 28.617  1.7270 -1.468641      2.553788  
1 1 1 -14 10  11 o 62.586  2.1979 194.428  13.577  193.856  19.683  194.947  18.753  62.211  3.2165 62.507  3.0396 -0.2955475     4.425442  
1 1 1 -14 11  1  o 37.601  1.0607 69.829   3.9364  67.901   6.5780  70.905   4.9133  37.051  1.7987 37.881  1.3141 -0.8305283     2.227589  
1 1 1 -14 11  2  o 37.601  1.0587 69.832   3.9291  63.524   4.8332  82.125   6.7471  35.853  1.3658 40.751  1.6774 -4.898548      2.163124  
1 1 1 -14 11  3  o 57.150  6.8805 169.178  38.033  180.363  53.469  157.723  54.110  57.762  9.7237 53.504  10.621 4.258511       14.39967  
1 1 1 -14 11  4  o 40.081  10.623 89.688   42.701  88.415   59.772  91.015   61.023  39.655  13.121 40.144  13.256 -0.4895973     18.65125  
1 1 1 -14 11  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 11  6  o 34.388  1.1785 58.437   4.0000  70.785   5.7659  46.980   5.5538  37.830  1.5442 30.750  1.8383 7.079453       2.400768  
1 1 1 -14 11  7  o 17.957  1.8353 16.132   3.2073  28.391   15.711  15.599   3.2763  23.166  6.5687 17.644  1.9118 5.521572       6.841301  
1 1 1 -14 11  8  o 80.979  1.6669 324.567  13.323  332.186  19.312  317.646  18.405  81.799  2.3919 80.001  2.3309 1.798370       3.339761  
1 1 1 -14 11  9  o 21.922  1.7004 23.935   3.6505  22.945   3.8090  35.100   12.787  21.447  1.8164 25.858  5.1905 -4.411114      5.499152  
1 1 1 -14 11  10 o 71.194  1.6001 250.910  11.244  261.985  15.957  239.986  15.847  72.644  2.2254 69.512  2.3098 3.132790       3.207432  
1 1 1 -14 12  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 12  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -14 12  3  o 35.531  2.0439 62.750   7.1379  130.965  61.605  61.822   7.1863  47.155  12.874 35.263  2.0738 11.89227       13.04031  
1 1 1 -14 12  4  o 61.891  1.2143 189.309  7.4182  180.782  10.497  197.816  10.485  60.433  1.7598 63.225  1.6801 -2.791317      2.433032  
1 1 1 -14 12  5  o 87.777  1.6771 381.328  14.531  381.435  20.321  381.217  20.786  87.669  2.3483 87.633  2.4031 0.3646088E-01  3.359973  
1 1 1 -14 12  6  o 69.424  1.3307 238.305  9.1188  248.020  12.913  228.643  12.879  70.763  1.8488 67.933  1.9207 2.830223       2.665939  
1 1 1 -14 12  7  o 12.930  4.8935 6.2302   8.5670  9.7284   12.753  3.3536   11.565  15.827  5.9753 13.325  5.4763 2.501621       8.105145  
1 1 1 -14 12  8  o 72.152  2.1414 258.285  15.251  342.060  70.028  254.114  15.626  79.158  9.1301 71.555  2.2124 7.603745       9.394328  
1 1 1 -14 12  9  f 34.320  1.2721 58.246   4.3092  56.202   6.1709  60.191   6.0202  33.622  1.8668 34.813  1.7577 -1.190441      2.564056  
1 1 1 -14 12  10 o 18.546  7.6880 7.5681   23.059  11.883   30.798  2.0631   34.787  21.457  8.8889 20.887  9.0733 0.5693474      12.70182  
1 1 1 -14 13  1  o 44.140  1.1558 96.286   5.0354  97.587   8.2173  95.503   6.3718  44.388  1.8756 43.942  1.4691 0.4460411      2.382432  
1 1 1 -14 13  2  o 60.619  1.4232 181.737  8.5156  187.203  12.271  176.660  11.827  61.458  2.0228 59.704  2.0070 1.753792       2.849520  
1 1 1 -14 13  3  o 18.360  1.5592 16.799   2.7989  16.468   2.8991  21.340   10.736  18.168  1.6342 20.131  5.3223 -1.962952      5.567519  
1 1 1 -14 13  4  o 29.803  3.2749 44.868   9.4749  41.492   13.609  48.044   13.199  28.200  5.0759 30.553  4.5127 -2.353062      6.791827  
1 1 1 -14 13  5  o 26.006  1.0655 33.421   2.7351  31.618   3.8593  35.241   3.8767  25.229  1.5574 26.648  1.4797 -1.419334      2.148284  
1 1 1 -14 13  6  o 19.165  1.1259 18.217   2.1205  9.5437   2.9639  27.311   3.0349  13.685  2.2740 23.464  1.3157 -9.778369      2.627228  
1 1 1 -14 13  7  o 33.293  1.1463 54.793   3.7669  52.549   5.3780  56.953   5.2779  32.532  1.6806 33.919  1.5765 -1.387550      2.304287  
1 1 1 -14 13  8  o 51.232  1.0754 129.732  5.4381  126.628  7.7128  132.800  7.6687  50.575  1.5451 51.797  1.5000 -1.222374      2.153397  
1 1 1 -14 13  9  o 24.866  7.3679 33.607   19.371  33.434   22.981  34.029   36.001  24.981  8.1294 26.549  10.035 -1.568209      12.91501  
1 1 1 -14 14  1  o 47.827  2.3472 113.608  11.080  115.288  15.649  111.920  15.691  47.914  3.3295 47.190  3.3913 0.7237511      4.752534  
1 1 1 -14 14  2  o 47.382  2.3906 111.822  11.144  113.000  15.870  110.676  15.653  47.408  3.4143 46.918  3.4031 0.4897499      4.820669  
1 1 1 -14 14  3  o 50.948  1.4191 128.415  7.1363  127.853  10.037  128.990  10.148  50.776  2.0027 51.000  2.0160 -0.2235680     2.841678  
1 1 1 -14 14  4  o 29.860  1.7411 44.317   5.1092  42.247   5.3181  69.121   18.410  29.137  1.8588 36.468  5.2673 -7.330965      5.585661  
1 1 1 -14 14  5  o 81.499  2.0838 329.623  16.763  306.189  23.695  353.101  23.718  78.297  3.0661 84.148  2.8556 -5.850830      4.189906  
1 1 1 -14 14  6  o 94.672  1.7791 444.208  16.625  453.433  23.239  434.537  23.793  95.465  2.4663 93.419  2.5803 2.046013       3.569417  
1 1 1 -14 14  7  o 28.795  4.1038 42.669   11.334  43.809   14.796  41.051   17.630  28.785  5.4062 27.496  6.5835 1.289211       8.518754  
1 1 1 -14 14  8  o 48.843  7.5836 130.217  35.374  156.849  51.289  106.055  48.853  51.662  10.418 41.523  11.517 10.13893       15.52963  
1 1 1 -14 15  1  o 60.648  1.3212 181.948  7.9088  171.120  12.313  189.553  10.319  58.707  2.1249 61.857  1.6901 -3.149212      2.715050  
1 1 1 -14 15  2  o 25.281  1.0696 31.592   2.6690  25.577   4.6650  34.519   3.2543  22.599  2.1160 26.419  1.2480 -3.819750      2.456568  
1 1 1 -14 15  3  f 22.684  0.8856 25.423   1.9829  26.295   3.3645  24.960   2.4545  22.999  1.4901 22.470  1.1067 0.5295525      1.856143  
1 1 1 -14 15  4  o 47.687  1.3690 112.529  6.4435  109.593  9.0975  115.485  9.1277  46.994  1.9613 48.247  1.9167 -1.252804      2.742352  
1 1 1 -14 15  5  o 52.834  1.6910 138.355  8.8183  136.673  10.490  142.405  16.281  52.464  2.0258 53.245  3.1114 -0.7815628     3.712765  
1 1 1 -14 15  6  o 59.229  1.7945 174.011  10.491  191.289  18.844  166.251  12.629  61.793  3.0896 57.817  2.2129 3.976379       3.800347  
1 1 1 -13 -17 1  o 98.396  1.7591 478.954  17.085  458.706  22.990  503.929  25.533  96.191  2.4214 100.793 2.5665 -4.602188      3.528452  
1 1 1 -13 -16 1  o 130.076 1.8854 837.029  24.207  876.053  33.560  794.704  34.950  132.939 2.5576 126.561 2.7978 6.377586       3.790662  
1 1 1 -13 -16 2  o 57.650  1.5757 164.317  8.9659  155.467  11.215  179.990  14.925  56.043  2.0274 60.254  2.5095 -4.210712      3.226175  
1 1 1 -13 -15 1  o 136.338 1.9319 919.470  25.998  913.706  36.046  925.719  37.531  135.763 2.6900 136.631 2.7830 -0.8681030     3.870520  
1 1 1 -13 -15 2  o 124.692 1.9126 769.138  23.540  713.359  32.067  834.319  34.665  119.943 2.7087 129.715 2.7075 -9.771362      3.829786  
1 1 1 -13 -15 3  o 62.272  1.7091 191.761  10.505  188.573  11.988  202.305  21.802  61.732  1.9675 63.667  3.4826 -1.934933      3.999952  
1 1 1 -13 -14 1  o 87.287  1.5550 376.500  13.397  359.859  17.971  397.318  20.100  85.288  2.1348 89.602  2.2728 -4.314560      3.118130  
1 1 1 -13 -14 2  o 118.551 1.7347 694.843  20.299  652.682  27.620  744.363  29.934  114.799 2.4375 122.590 2.4738 -7.791481      3.472958  
1 1 1 -13 -14 3  o 109.982 1.7700 598.122  19.214  557.160  25.992  647.475  28.531  106.050 2.4831 114.314 2.5286 -8.264526      3.543946  
1 1 1 -13 -14 4  o 50.021  1.5305 123.675  7.5564  120.047  9.0227  132.198  13.828  49.264  1.8556 51.557  2.7270 -2.293743      3.298408  
1 1 1 -13 -13 1  o 138.983 1.9736 954.931  27.074  972.476  40.033  940.144  36.753  140.116 2.8947 137.800 2.7021 2.316391       3.959865  
1 1 1 -13 -13 2  o 11.088  3.8219 5.5394   5.0722  5.3873   6.8423  5.7249   7.5573  11.840  4.3953 12.337  4.6114 -0.4971514     6.370568  
1 1 1 -13 -13 3  o 71.522  1.3898 252.735  9.8112  241.925  13.937  263.354  13.814  69.933  2.0191 72.973  1.9179 -3.039856      2.784787  
1 1 1 -13 -13 4  o 41.990  1.5027 87.135   6.2280  81.207   8.4902  94.041   9.1637  40.453  2.1339 43.593  2.1297 -3.139683      3.014833  
1 1 1 -13 -13 5  o 14.824  3.2377 11.341   4.6049  12.822   5.7588  8.7157   7.6684  15.735  3.7594 13.753  4.7008 1.981342       6.019221  
1 1 1 -13 -12 1  f 70.088  1.3688 242.599  9.4693  231.197  13.164  254.827  13.632  68.397  1.9499 71.809  1.9233 -3.411613      2.738810  
1 1 1 -13 -12 2  o 81.377  1.4544 327.112  11.682  314.093  15.798  342.821  17.353  79.708  2.0080 83.266  2.1114 -3.557793      2.913774  
1 1 1 -13 -12 3  o 81.374  1.4231 327.124  11.430  327.620  16.156  326.626  16.173  81.394  2.0110 81.270  2.0162 0.1239777      2.847625  
1 1 1 -13 -12 4  o 41.151  1.4748 83.674   5.9902  83.625   7.7411  83.747   9.4573  41.122  1.9072 41.065  2.3430 0.5732346E-01  3.021079  
1 1 1 -13 -12 5  o 68.068  1.3336 228.898  8.9595  231.806  12.951  226.230  12.408  68.461  1.9166 67.637  1.8585 0.8240509      2.669765  
1 1 1 -13 -12 6  o 54.406  1.4872 146.292  7.9864  148.094  9.4489  141.783  14.944  54.725  1.7493 53.385  2.8464 1.340061       3.340925  
1 1 1 -13 -11 1  o 31.781  1.9031 50.082   5.9423  46.686   8.1735  53.890   8.6545  30.600  2.7349 32.899  2.6887 -2.298649      3.835223  
1 1 1 -13 -11 2  o 131.880 1.7957 859.335  23.374  862.178  33.088  856.503  33.024  132.022 2.5392 131.586 2.5427 0.4356995      3.593418  
1 1 1 -13 -11 3  f 160.235 2.0927 1269.46  33.097  1253.85  46.722  1285.19  46.891  159.096 2.9753 161.077 2.9493 -1.981140      4.189385  
1 1 1 -13 -11 4  o 72.211  1.3617 257.578  9.7054  259.079  13.734  256.081  13.717  72.388  1.9222 71.967  1.9311 0.4206924      2.724674  
1 1 1 -13 -11 5  o 40.533  1.4845 81.181   5.9390  75.506   7.7637  89.186   9.2209  39.018  2.0228 42.396  2.2112 -3.377491      2.996870  
1 1 1 -13 -11 6  o 81.978  1.3814 332.031  11.178  313.747  15.364  352.587  16.291  79.644  1.9545 84.430  1.9549 -4.785835      2.764328  
1 1 1 -13 -11 7  o 79.664  1.3660 313.581  10.741  312.961  14.795  314.272  15.619  79.541  1.8845 79.698  1.9855 -0.1563492     2.737435  
1 1 1 -13 -10 1  o 58.157  1.8675 167.074  10.720  160.460  47.357  167.432  11.006  55.784  8.9000 58.217  1.9152 -2.433998      9.103719  
1 1 1 -13 -10 2  f 157.733 2.3260 1229.89  36.213  1255.44  60.425  1215.56  45.237  159.135 3.8470 156.737 2.9241 2.398376       4.832147  
1 1 1 -13 -10 3  f 69.669  1.2905 239.683  8.8745  237.106  12.336  242.447  12.776  69.273  1.8042 70.047  1.8479 -0.7738724     2.582605  
1 1 1 -13 -10 4  o 97.174  1.5295 466.486  14.670  442.431  20.637  491.057  20.857  94.584  2.2105 99.654  2.1205 -5.070511      3.063146  
1 1 1 -13 -10 5  o 68.765  1.3370 233.576  9.0748  236.812  12.870  230.378  12.797  69.209  1.8841 68.261  1.8994 0.9477158      2.675310  
1 1 1 -13 -10 6  o 139.272 1.8879 959.146  25.952  944.597  36.697  973.702  36.707  138.072 2.6927 140.191 2.6528 -2.119186      3.779959  
1 1 1 -13 -10 7  o 121.444 1.7096 729.121  20.493  735.552  29.050  722.750  28.913  121.874 2.4149 120.807 2.4248 1.066986       3.422187  
1 1 1 -13 -9  1  o 159.933 2.0952 1263.69  33.075  1298.92  45.275  1223.37  48.434  162.076 2.8301 157.259 3.1204 4.816788       4.212626  
1 1 1 -13 -9  2  o 85.452  2.0505 360.778  17.295  0.0000   0.0000  360.778  17.295  ?       ?      85.452  2.0505 0.000000       2.050545  
1 1 1 -13 -9  3  o 154.242 2.3836 1176.18  36.288  1208.24  67.260  1163.01  43.099  156.007 4.3680 153.319 2.8480 2.688110       5.214398  
1 1 1 -13 -9  4  f 35.491  1.4377 62.210   5.0364  57.520   6.7309  68.176   7.5917  34.055  2.0114 37.080  2.0827 -3.024460      2.895404  
1 1 1 -13 -9  5  o 145.893 1.9309 1052.17  27.805  1040.24  39.383  1064.03  39.261  144.940 2.7529 146.594 2.7134 -1.654449      3.865363  
1 1 1 -13 -9  6  o 140.851 2.0282 981.164  28.198  979.755  39.948  982.563  39.808  140.600 2.8786 140.804 2.8643 -0.2043457     4.060837  
1 1 1 -13 -9  7  o 101.434 1.4934 508.402  14.951  544.277  21.737  476.191  20.597  104.889 2.0996 98.106  2.1271 6.782753       2.988803  
1 1 1 -13 -9  8  o 99.030  1.6626 484.798  16.251  471.329  20.156  509.820  27.472  97.598  2.0923 101.409 2.7446 -3.811111      3.451196  
1 1 1 -13 -8  1  f 66.227  1.3274 216.546  8.6771  224.810  12.503  208.868  12.052  67.466  1.8776 65.030  1.8777 2.436172       2.655348  
1 1 1 -13 -8  2  o 105.535 1.5449 549.985  16.093  568.142  22.643  531.452  22.876  107.235 2.1393 103.709 2.2348 3.525642       3.093671  
1 1 1 -13 -8  3  o 47.081  6.1415 112.326  27.860  123.201  39.402  101.453  39.398  48.822  8.4844 44.022  9.3555 4.800201       12.62977  
1 1 1 -13 -8  4  o 80.177  1.3084 317.426  10.355  322.176  14.634  312.664  14.653  80.753  1.8360 79.551  1.8662 1.202423       2.617953  
1 1 1 -13 -8  5  o 77.663  1.3142 297.869  10.074  287.174  14.048  309.192  14.455  76.231  1.8670 79.100  1.8515 -2.869293      2.629381  
1 1 1 -13 -8  6  o 83.892  1.3900 347.644  11.510  343.210  16.146  352.226  16.412  83.318  1.9633 84.405  1.9700 -1.086716      2.781254  
1 1 1 -13 -8  7  o 93.642  1.4557 433.238  13.454  418.621  19.027  447.857  19.028  91.993  2.0954 95.159  2.0259 -3.165298      2.914605  
1 1 1 -13 -8  8  f 93.309  1.4441 430.190  13.301  422.335  18.988  437.758  18.636  92.395  2.0821 94.075  2.0070 -1.680008      2.891928  
1 1 1 -13 -8  9  o 10.442  3.9470 3.9176   5.5689  -0.5958  9.9400  5.9824   6.7232  11.409  4.9025 12.056  4.3763 -0.6469507     6.571674  
1 1 1 -13 -7  1  f 79.433  1.3024 311.500  10.211  315.716  14.587  307.449  14.299  79.954  1.8484 78.900  1.8361 1.053383       2.605391  
1 1 1 -13 -7  2  o 122.845 1.6724 745.239  20.279  774.719  28.804  716.270  28.554  125.214 2.3306 120.393 2.4029 4.820679       3.347499  
1 1 1 -13 -7  3  o 82.380  1.4303 335.096  11.630  318.262  16.003  353.940  16.931  80.264  2.0200 84.643  2.0266 -4.379112      2.861334  
1 1 1 -13 -7  4  o 35.028  1.9241 60.798   6.6269  62.479   6.8321  34.069   27.247  35.507  1.9570 26.635  8.8608 8.872747       9.074282  
1 1 1 -13 -7  5  o 58.298  1.2497 167.817  7.1909  169.567  9.8841  165.849  10.481  58.587  1.7092 57.937  1.8328 0.6502075      2.506133  
1 1 1 -13 -7  6  o 39.426  1.2046 76.757   4.6875  76.568   7.9631  76.857   5.7987  39.301  2.0600 39.445  1.4894 -0.1442757     2.541976  
1 1 1 -13 -7  7  o 74.001  1.3135 270.484  9.5939  269.641  13.780  271.277  13.365  73.852  1.8904 74.080  1.8278 -0.2278442     2.629569  
1 1 1 -13 -7  8  o 118.453 1.6491 693.482  19.281  685.174  27.359  701.680  27.177  117.651 2.3559 119.067 2.3125 -1.415192      3.301216  
1 1 1 -13 -7  9  o 26.695  1.6299 35.355   4.2741  34.639   5.7473  36.241   6.3932  26.361  2.2297 26.944  2.4301 -0.5826454     3.298045  
1 1 1 -13 -6  1  o 163.771 2.3168 1325.14  37.450  1367.89  46.692  1248.03  62.706  166.346 2.8438 158.760 4.0016 7.585587       4.909203  
1 1 1 -13 -6  2  o 184.295 2.5411 1678.57  46.225  1670.22  71.793  1684.48  60.413  183.652 3.9605 184.528 3.3170 -0.8759613     5.166022  
1 1 1 -13 -6  3  o 172.495 2.5018 1470.59  42.595  1442.54  57.673  1504.25  63.179  170.733 3.4223 174.311 3.6721 -3.578003      5.019624  
1 1 1 -13 -6  4  o 152.318 2.0614 1146.26  30.992  1132.67  42.231  1162.13  45.625  151.338 2.8272 153.272 3.0159 -1.933273      4.133786  
1 1 1 -13 -6  5  o 56.936  1.2171 160.054  6.8396  163.706  9.4558  156.047  9.9051  57.570  1.6640 56.204  1.7855 1.366482       2.440707  
1 1 1 -13 -6  6  o 58.717  1.3815 170.270  8.0067  165.451  13.084  173.155  10.124  57.845  2.2916 59.201  1.7325 -1.355801      2.872777  
1 1 1 -13 -6  7  o 28.772  1.7374 41.058   4.9107  43.300   6.7446  38.529   7.1640  29.493  2.3360 27.773  2.6454 1.720037       3.529145  
1 1 1 -13 -6  8  o 17.978  2.5044 16.308   4.3233  16.145   5.6131  16.546   6.7787  17.752  3.3257 17.894  3.9443 -0.1413383     5.159213  
1 1 1 -13 -6  9  o 77.634  1.3393 297.741  10.262  280.433  14.155  316.918  14.900  75.305  1.9044 80.056  1.8856 -4.750565      2.679982  
1 1 1 -13 -6  10 o 150.572 2.0080 1121.68  29.843  1085.27  42.073  1158.56  42.337  147.913 2.8818 152.846 2.8063 -4.933426      4.022430  
1 1 1 -13 -5  1  o 207.623 9.9535 2170.17  203.978 2170.17  203.978 0.0000   0.0000  207.623 9.9535 ?       ?      0.000000       9.953464  
1 1 1 -13 -5  2  o 185.598 7.9227 1722.51  145.138 1670.80  177.661 1826.26  251.659 181.859 9.9351 188.275 13.634 -6.416443      16.87016  
1 1 1 -13 -5  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 -5  4  o 154.189 2.8664 1175.67  43.623  1134.33  57.160  1233.33  67.510  151.336 3.8266 157.722 4.3365 -6.385986      5.783452  
1 1 1 -13 -5  5  o 64.972  1.4351 208.453  9.2033  199.984  11.392  224.367  15.616  63.628  1.8140 67.374  2.3482 -3.746616      2.967222  
1 1 1 -13 -5  6  o 53.962  1.3917 143.802  7.4126  144.075  9.2609  143.317  12.366  54.004  1.7374 53.840  2.3270 0.1637230      2.904008  
1 1 1 -13 -5  7  f 8.4405  3.3538 1.8205   4.1768  0.4448   6.3736  2.8560   5.5297  9.4778  3.9931 9.9134  3.8839 -0.4355345     5.570452  
1 1 1 -13 -5  8  o 44.628  1.4560 98.395   6.4138  93.146   7.7441  109.859  11.445  43.410  1.8074 47.046  2.4732 -3.636963      3.063274  
1 1 1 -13 -5  9  o 108.977 1.5629 586.885  16.811  543.553  23.531  632.055  24.026  104.799 2.2749 113.026 2.1536 -8.226593      3.132573  
1 1 1 -13 -5  10 o 61.925  1.5776 189.523  9.6424  179.429  17.976  193.601  11.425  60.058  3.0424 62.570  1.8499 -2.511841      3.560684  
1 1 1 -13 -4  1  o 114.330 8.8921 659.049  99.556  0.0000   0.0000  659.049  99.556  ?       ?      114.330 8.8921 0.000000       8.892051  
1 1 1 -13 -4  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 -4  3  o 199.234 10.055 2006.87  197.091 2006.87  197.091 0.0000   0.0000  199.234 10.055 ?       ?      0.000000       10.05482  
1 1 1 -13 -4  4  f 64.018  6.1062 205.831  38.116  210.508  53.690  201.079  54.122  64.191  8.6979 62.634  9.0141 1.557304       12.52630  
1 1 1 -13 -4  5  o 84.584  6.0937 358.307  50.534  359.184  71.392  357.427  71.542  84.052  8.7328 83.833  8.7760 0.2188950      12.38058  
1 1 1 -13 -4  6  o 95.555  7.1780 460.195  67.206  458.702  116.063 460.949  82.431  93.289  12.954 95.115  8.8831 -1.826614      15.70748  
1 1 1 -13 -4  7  o 29.382  6.5153 44.930   18.400  57.060   26.059  32.871   25.984  32.966  8.0731 26.046  8.6524 6.919718       11.83378  
1 1 1 -13 -4  8  o 74.861  6.1590 283.132  45.106  263.916  63.508  302.692  64.074  71.234  9.2510 76.600  8.6247 -5.366272      12.64774  
1 1 1 -13 -4  9  o 41.755  6.4445 89.835   25.705  84.660   36.220  95.085   36.486  39.754  9.3819 42.259  9.0217 -2.505859      13.01581  
1 1 1 -13 -4  10 f 32.720  6.6697 56.019   20.810  64.738   29.446  47.320   29.413  34.827  8.6137 30.080  9.1170 4.747480       12.54259  
1 1 1 -13 -4  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 -3  1  o 199.990 4.8866 1983.28  96.461  1974.18  195.411 1986.21  110.916 197.787 10.043 199.986 5.6191 -2.198227      11.50771  
1 1 1 -13 -3  2  o 162.054 9.4727 1324.18  150.859 0.0000   0.0000  1324.18  150.859 ?       ?      162.054 9.4727 0.000000       9.472702  
1 1 1 -13 -3  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 -3  4  o 136.004 9.1566 934.315  122.203 934.315  122.203 0.0000   0.0000  136.004 9.1566 ?       ?      0.000000       9.156550  
1 1 1 -13 -3  5  o 167.104 9.5920 1414.21  157.545 1414.21  157.545 0.0000   0.0000  167.104 9.5920 ?       ?      0.000000       9.591985  
1 1 1 -13 -3  6  o 126.411 3.1507 790.888  39.312  735.224  108.120 799.368  42.201  120.280 9.1764 127.062 3.3649 -6.781723      9.773852  
1 1 1 -13 -3  7  o 47.934  6.2897 116.829  29.040  121.606  41.069  112.052  41.069  48.260  8.9513 46.185  9.3302 2.074421       12.92975  
1 1 1 -13 -3  8  o 52.911  1.6859 138.330  8.8045  136.542  11.043  141.452  14.587  52.549  2.1291 53.378  2.7782 -0.8290405     3.500207  
1 1 1 -13 -3  9  o 95.215  1.5112 447.938  14.202  451.124  20.514  445.005  19.682  95.494  2.1764 94.851  2.1023 0.6422119      3.025975  
1 1 1 -13 -3  10 o 73.133  1.3905 264.240  10.037  250.670  14.035  278.447  14.360  71.189  1.9973 75.034  1.9390 -3.845459      2.783695  
1 1 1 -13 -3  11 o 64.492  1.3866 205.508  8.8263  206.329  12.440  204.675  12.525  64.584  1.9514 64.323  1.9728 0.2610855      2.774896  
1 1 1 -13 -2  1  o 83.628  1.4584 345.293  12.039  331.526  17.238  358.401  16.820  81.924  2.1317 85.184  2.0005 -3.260445      2.923404  
1 1 1 -13 -2  2  o 153.158 2.1966 1158.82  33.206  1159.03  49.290  1158.65  44.932  153.081 3.2622 153.084 2.9737 -0.2929688E-02 4.414143  
1 1 1 -13 -2  3  o 126.001 1.8682 784.111  23.235  773.115  33.037  794.873  32.683  125.066 2.6763 126.818 2.6110 -1.752350      3.738976  
1 1 1 -13 -2  4  o 25.677  2.1748 32.807   5.4602  34.025   8.0731  31.781   7.4129  26.031  3.2101 25.167  3.0462 0.8636532      4.425361  
1 1 1 -13 -2  5  o 106.001 1.6609 554.897  17.377  563.977  24.919  546.302  24.245  106.827 2.3632 105.142 2.3362 1.685677       3.323076  
1 1 1 -13 -2  6  o 94.108  1.5474 437.368  14.373  450.385  20.985  425.865  19.727  95.465  2.2271 92.834  2.1529 2.630898       3.097546  
1 1 1 -13 -2  7  o 74.885  1.3411 276.916  9.9127  280.174  14.293  273.895  13.760  75.301  1.9230 74.454  1.8724 0.8462143      2.683970  
1 1 1 -13 -2  8  o 113.176 2.3858 633.575  26.651  637.538  27.163  531.298  137.985 113.525 2.4241 98.870  14.577 14.65553       14.77705  
1 1 1 -13 -2  9  o 38.963  1.2195 74.977   4.6900  72.822   5.8301  78.929   7.8953  38.391  1.5386 39.902  2.0111 -1.510796      2.532157  
1 1 1 -13 -2  10 o 21.799  1.2468 23.549   2.6716  18.829   7.1849  24.307   2.8779  19.106  3.9409 22.142  1.3229 -3.036903      4.156956  
1 1 1 -13 -2  11 o 44.918  1.3396 99.681   5.9394  92.167   7.3921  113.366  9.9764  43.176  1.7346 47.864  2.1117 -4.687698      2.732759  
1 1 1 -13 -2  12 o 121.904 1.7901 734.989  21.539  718.916  30.385  751.222  30.537  120.427 2.5563 123.113 2.5130 -2.685280      3.584627  
1 1 1 -13 -1  1  o 154.172 1.9804 1173.98  30.136  1218.75  44.259  1135.28  41.149  157.017 2.8558 151.554 2.7508 5.462845       3.965132  
1 1 1 -13 -1  2  o 49.313  1.4697 120.066  7.1535  130.811  10.375  110.327  9.8769  51.462  2.0425 47.259  2.1174 4.202213       2.941918  
1 1 1 -13 -1  3  o 114.397 1.8900 646.344  21.340  696.884  31.182  601.818  29.268  118.740 2.6606 110.343 2.6873 8.397583       3.781547  
1 1 1 -13 -1  4  o 98.512  1.5764 479.209  15.329  470.483  22.634  486.603  20.834  97.577  2.3500 99.246  2.1268 -1.668785      3.169502  
1 1 1 -13 -1  5  o 65.021  1.2278 208.722  7.8797  219.860  10.681  195.423  11.672  66.724  1.6218 62.900  1.8800 3.824295       2.482880  
1 1 1 -13 -1  6  o 170.842 2.9658 1443.86  50.011  1450.79  63.862  1432.88  80.420  171.124 3.7809 169.864 4.7965 1.259460       6.107560  
1 1 1 -13 -1  7  o 116.893 1.7360 674.989  20.030  621.890  28.811  724.658  27.865  112.134 2.6031 121.071 2.3318 -8.936729      3.494756  
1 1 1 -13 -1  8  o 169.454 2.4208 1420.30  40.490  1432.35  60.695  1410.64  54.351  169.936 3.6185 168.722 3.2637 1.214554       4.872927  
1 1 1 -13 -1  9  o 61.416  1.3075 186.298  7.9257  181.172  11.094  191.642  11.327  60.540  1.8566 62.266  1.8431 -1.725552      2.616038  
1 1 1 -13 -1  10 o 27.851  1.2885 38.316   3.5421  42.890   7.4365  36.973   4.0285  29.312  2.5973 27.313  1.5000 1.998489       2.999306  
1 1 1 -13 -1  11 o 43.314  1.2687 92.680   5.4241  88.525   6.3762  103.559  10.318  42.323  1.5263 45.737  2.2856 -3.413521      2.748405  
1 1 1 -13 -1  12 o 43.829  1.3361 94.917   5.7799  92.541   6.9337  100.327  10.464  43.265  1.6236 44.942  2.3673 -1.677292      2.870568  
1 1 1 -13 0   1  o 221.867 2.8637 2433.45  62.713  2455.40  86.941  2409.63  90.550  222.695 3.9553 220.572 4.1591 2.122818       5.739583  
1 1 1 -13 0   2  o 60.023  1.5779 177.898  9.3482  169.625  11.493  194.068  16.068  58.602  1.9870 62.664  2.5979 -4.061687      3.270684  
1 1 1 -13 0   3  o 88.514  1.5057 386.846  13.155  364.788  18.410  409.861  18.805  85.930  2.1705 91.088  2.0916 -5.157486      3.014305  
1 1 1 -13 0   4  f 178.247 2.5079 1570.26  44.124  1557.08  60.048  1585.72  65.053  177.386 3.4296 178.973 3.6825 -1.587494      5.032215  
1 1 1 -13 0   5  o 135.426 1.9422 905.958  25.961  871.295  38.381  935.195  35.249  132.732 2.9296 137.544 2.5964 -4.811981      3.914549  
1 1 1 -13 0   6  o 160.793 2.2223 1277.66  35.270  1270.87  51.445  1283.69  48.447  160.243 3.2526 161.077 3.0472 -0.8339844     4.456998  
1 1 1 -13 0   7  o 95.191  1.5086 447.510  14.175  469.011  20.546  427.981  19.581  97.416  2.1368 93.058  2.1318 4.358307       3.018327  
1 1 1 -13 0   8  o 239.288 3.2833 2837.22  77.546  2827.39  109.736 2847.02  109.598 238.385 4.6638 239.221 4.6416 -0.8357086     6.579916  
1 1 1 -13 0   9  o 155.339 2.9166 1195.49  44.718  1183.88  143.397 1196.74  47.066  151.437 9.6437 155.388 3.0687 -3.951279      10.12013  
1 1 1 -13 0   10 o 90.152  1.4392 401.560  12.807  392.822  18.130  410.261  18.093  89.113  2.0612 91.075  2.0127 -1.961510      2.880872  
1 1 1 -13 0   11 f 42.019  1.0814 87.196   4.4850  76.745   6.5245  96.558   6.1753  39.401  1.6777 44.206  1.4153 -4.804989      2.194924  
1 1 1 -13 0   12 o 157.304 2.2977 1225.43  35.675  1228.56  50.727  1222.37  50.181  157.227 3.2688 156.839 3.2416 0.3879852      4.603524  
1 1 1 -13 1   1  o 187.724 2.5605 1741.57  47.443  1714.46  67.290  1768.37  66.900  186.122 3.6628 189.037 3.5855 -2.914658      5.125633  
1 1 1 -13 1   2  o 119.063 1.8931 700.156  22.247  691.143  31.186  709.495  31.746  118.249 2.6720 119.808 2.6846 -1.558723      3.787629  
1 1 1 -13 1   3  o 99.741  1.6214 491.250  15.963  493.312  23.242  489.409  21.962  99.917  2.3567 99.527  2.2356 0.3899765      3.248328  
1 1 1 -13 1   4  o 254.592 3.9259 3210.35  98.654  3206.35  169.749 3212.40  121.229 253.532 6.7833 254.439 4.8271 -0.9075623     8.325537  
1 1 1 -13 1   5  o 31.395  0.8742 48.653   2.7090  47.576   3.8329  49.729   3.8294  31.042  1.2509 31.738  1.2224 -0.6951389     1.749060  
1 1 1 -13 1   6  f 169.953 2.3756 1427.67  39.851  1480.29  53.774  1363.56  59.353  172.956 3.1500 165.924 3.6241 7.031784       4.801702  
1 1 1 -13 1   7  o 107.925 1.6346 575.320  17.413  560.859  24.630  589.772  24.622  106.513 2.3428 109.229 2.2837 -2.715553      3.271717  
1 1 1 -13 1   8  o 102.063 1.6318 514.600  16.439  505.472  23.935  522.749  22.617  101.096 2.3986 102.824 2.2284 -1.728188      3.274036  
1 1 1 -13 1   9  o 130.979 2.0420 848.243  26.399  831.793  35.839  867.758  39.035  129.596 2.8017 132.336 2.9884 -2.740051      4.096387  
1 1 1 -13 1   10 o 131.515 9.3426 897.940  120.488 897.940  120.488 0.0000   0.0000  131.515 9.3426 ?       ?      0.000000       9.342628  
1 1 1 -13 1   11 o 13.737  3.6257 9.7238   4.9878  8.1393   7.0865  11.279   7.0215  13.276  4.5190 14.929  4.4387 -1.653153      6.334341  
1 1 1 -13 1   12 o 26.287  2.4547 34.533   6.2953  36.511   9.1306  32.741   8.6914  26.864  3.5288 25.409  3.5635 1.455238       5.015038  
1 1 1 -13 1   13 o 84.319  1.5550 351.514  12.942  362.780  18.577  340.892  18.039  85.581  2.1993 82.959  2.2030 2.622414       3.112877  
1 1 1 -13 2   1  o 119.835 2.5565 709.716  30.238  709.716  30.238  0.0000   0.0000  119.835 2.5565 ?       ?      0.000000       2.556486  
1 1 1 -13 2   2  o 140.693 1.9858 977.755  27.576  954.391  40.445  998.051  37.697  138.929 2.9494 142.094 2.6878 -3.165482      3.990404  
1 1 1 -13 2   3  o 106.309 1.7592 558.152  18.459  570.734  25.181  543.536  27.140  107.469 2.3738 104.862 2.6222 2.606888       3.537065  
1 1 1 -13 2   4  o 137.316 2.0182 931.472  27.354  905.862  38.447  957.725  38.927  135.347 2.8779 139.171 2.8338 -3.824707      4.038930  
1 1 1 -13 2   5  o 36.413  0.8466 65.448   3.0428  61.301   4.3065  69.582   4.2998  35.237  1.2382 37.542  1.1604 -2.305344      1.696934  
1 1 1 -13 2   6  o 106.253 1.6406 557.582  17.206  542.985  23.759  573.679  24.950  104.815 2.2965 107.733 2.3463 -2.918236      3.283184  
1 1 1 -13 2   7  o 95.286  1.5703 448.434  14.769  450.744  21.264  446.282  20.528  95.491  2.2560 95.022  2.1887 0.4693069      3.143285  
1 1 1 -13 2   8  o 61.779  1.2748 188.474  7.7732  188.288  11.118  188.652  10.872  61.729  1.8247 61.790  1.7827 -0.6137085E-01 2.550981  
1 1 1 -13 2   9  o 96.940  1.5664 464.295  14.988  467.705  21.581  461.118  20.831  97.239  2.2486 96.557  2.1858 0.6811371      3.135841  
1 1 1 -13 2   10 o 76.114  1.7978 286.415  13.506  295.394  26.025  283.105  15.801  77.119  3.4189 75.647  2.1162 1.472534       4.020864  
1 1 1 -13 2   11 o 123.242 2.5883 752.736  31.485  752.736  31.485  0.0000   0.0000  123.242 2.5883 ?       ?      0.000000       2.588262  
1 1 1 -13 2   12 o 15.039  1.0108 11.220   1.4917  9.2583   8.4554  11.283   1.5155  14.266  4.9335 15.080  1.0242 -0.8140707     5.038700  
1 1 1 -13 2   13 o 110.811 6.4717 627.147  70.476  585.267  99.210  669.810  100.133 104.876 9.6936 112.735 9.0756 -7.859718      13.27905  
1 1 1 -13 3   1  o 102.337 1.6989 517.193  17.161  536.587  24.813  499.411  23.760  104.204 2.4125 100.530 2.3945 3.673576       3.399050  
1 1 1 -13 3   2  o 214.838 2.8275 2282.06  59.958  2302.95  81.684  2257.66  88.289  215.651 3.8375 213.451 4.1906 2.200684       5.682230  
1 1 1 -13 3   3  f 201.763 2.7933 2012.78  55.627  2088.38  78.592  1936.88  78.745  205.341 3.8777 197.723 4.0349 7.617661       5.596138  
1 1 1 -13 3   4  o 81.877  1.4342 331.019  11.590  340.121  16.391  321.917  16.391  82.975  2.0014 80.722  2.0572 2.253365       2.870170  
1 1 1 -13 3   5  o 48.554  1.1248 116.387  5.3907  110.991  7.6060  121.833  7.6414  47.407  1.6255 49.670  1.5587 -2.262791      2.252023  
1 1 1 -13 3   6  o 98.154  1.5316 475.793  14.839  457.275  20.900  494.617  21.071  96.191  2.2013 100.045 2.1338 -3.854675      3.065772  
1 1 1 -13 3   7  o 92.180  1.6313 419.717  14.842  424.545  20.571  414.475  21.436  92.673  2.2489 91.558  2.3720 1.114174       3.268624  
1 1 1 -13 3   8  o 91.700  1.5356 415.370  13.899  393.735  19.409  438.144  19.913  89.237  2.2035 94.140  2.1431 -4.902855      3.073806  
1 1 1 -13 3   9  o 95.075  1.5893 446.624  14.915  448.111  21.110  445.141  21.075  95.178  2.2471 94.861  2.2508 0.3163528      3.180521  
1 1 1 -13 3   10 o 76.197  1.9571 287.148  14.720  294.029  21.439  281.012  20.246  77.016  2.8203 75.303  2.7239 1.712883       3.920864  
1 1 1 -13 3   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 3   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 3   13 o 64.039  3.2280 204.522  20.338  195.243  55.267  205.975  21.873  60.195  9.6262 64.216  3.4638 -4.021133      10.23041  
1 1 1 -13 4   1  o 129.831 1.9318 832.614  24.756  802.928  36.467  857.988  33.715  127.426 2.8994 131.748 2.5927 -4.322678      3.889573  
1 1 1 -13 4   2  o 55.981  1.5029 154.745  8.3043  75.263   47.556  157.245  8.4339  38.250  11.593 56.431  1.5142 -18.18095      11.69099  
1 1 1 -13 4   3  o 22.453  0.9349 24.885   2.0719  30.224   2.9352  19.584   2.9249  24.743  1.2019 19.858  1.5034 4.884464       1.924756  
1 1 1 -13 4   4  o 28.778  1.0672 40.884   3.0312  38.843   4.3099  42.882   4.2641  28.002  1.5656 29.469  1.4660 -1.467007      2.144841  
1 1 1 -13 4   5  o 13.511  4.2716 8.9067   6.3784  10.082   8.8849  7.6571   9.1623  14.848  5.0601 13.900  5.0992 0.9480848      7.183756  
1 1 1 -13 4   6  o 75.724  1.4698 283.178  10.986  280.702  15.434  285.720  15.640  75.368  2.0747 76.038  2.0838 -0.6702423     2.940548  
1 1 1 -13 4   7  o 202.792 2.9886 2035.79  59.822  2024.33  84.900  2047.09  84.304  201.903 4.2602 203.051 4.2064 -1.147766      5.986928  
1 1 1 -13 4   8  o 117.091 6.3559 689.542  73.182  694.703  103.314 684.344  103.677 116.421 9.0622 115.493 9.1702 0.9270020      12.89248  
1 1 1 -13 4   9  o 51.092  6.4174 133.294  31.649  117.113  44.189  150.335  45.349  46.835  9.8702 53.555  8.8909 -6.719078      13.28416  
1 1 1 -13 4   10 o 67.963  6.3869 235.217  42.342  241.596  59.809  228.808  59.952  67.817  9.1700 65.827  9.5022 1.990219       13.20536  
1 1 1 -13 4   11 o 76.236  2.5672 288.087  19.318  321.889  31.414  267.533  24.497  80.342  3.9614 73.348  3.3837 6.994438       5.209843  
1 1 1 -13 4   12 o 68.065  2.5244 229.687  16.959  0.0000   0.0000  229.687  16.959  ?       ?      68.065  2.5244 0.000000       2.524367  
1 1 1 -13 4   13 o 31.697  0.8333 49.612   2.6070  52.322   3.6936  46.921   3.6801  32.543  1.1499 30.816  1.2099 1.727112       1.669135  
1 1 1 -13 5   1  o 103.375 1.6444 527.750  16.778  523.427  23.826  532.002  23.631  102.915 2.3455 103.757 2.3074 -0.8419037     3.290252  
1 1 1 -13 5   2  o 170.325 2.3981 1433.82  40.316  1404.10  56.715  1464.19  57.322  168.424 3.4116 171.995 3.3765 -3.571182      4.800025  
1 1 1 -13 5   3  o 112.312 2.4734 623.536  27.419  754.654  101.084 613.122  28.487  122.238 8.4296 111.362 2.5916 10.87651       8.818973  
1 1 1 -13 5   4  o 44.322  1.1127 96.984   4.8679  104.736  6.8145  88.907   6.9563  46.053  1.4991 42.428  1.6611 3.625492       2.237550  
1 1 1 -13 5   5  o 31.667  7.4800 52.287   23.007  60.486   32.058  43.580   33.038  34.023  9.2866 29.795  9.7496 4.227594       13.46461  
1 1 1 -13 5   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 5   7  o 96.680  6.3205 469.925  59.982  447.872  84.121  492.734  85.553  93.404  9.2459 98.133  8.9302 -4.729340      12.85443  
1 1 1 -13 5   8  o 166.016 6.7827 1386.90  111.144 1423.17  157.144 1350.60  157.217 166.321 9.6133 161.820 9.8906 4.500870       13.79279  
1 1 1 -13 5   9  o 69.290  1.4077 237.183  9.6276  237.297  13.734  237.073  13.500  69.271  2.0086 69.241  1.9754 0.3036499E-01  2.817222  
1 1 1 -13 5   10 o 74.508  1.4988 274.347  11.022  291.646  16.068  258.970  15.149  76.769  2.1205 72.340  2.1216 4.428383       2.999623  
1 1 1 -13 5   11 o 11.699  1.2476 6.8381   1.4183  4.9858   2.1935  8.1689   1.8593  9.8369  2.3003 12.768  1.5043 -2.930730      2.748469  
1 1 1 -13 5   12 o 16.165  4.9081 13.214   8.5189  11.106   13.370  14.654   11.053  16.597  6.1474 17.300  5.6382 -0.7031803     8.341493  
1 1 1 -13 5   13 o 32.966  7.8294 58.439   25.097  58.439   25.097  0.0000   0.0000  32.966  7.8294 ?       ?      0.000000       7.829365  
1 1 1 -13 6   1  o 100.412 2.3635 498.331  23.425  476.667  33.125  520.001  33.130  98.126  3.4201 102.502 3.2746 -4.376526      4.734996  
1 1 1 -13 6   2  o 143.553 6.5507 1028.95  92.819  1017.45  130.960 1040.55  131.573 141.585 9.4249 143.216 9.3592 -1.631210      13.28243  
1 1 1 -13 6   3  o 67.960  6.3299 232.450  41.972  231.272  59.413  233.623  59.302  67.072  9.2182 67.437  9.1451 -0.3653488     12.98489  
1 1 1 -13 6   4  o 90.731  6.3687 413.120  56.673  409.981  80.911  416.143  79.407  89.557  9.2882 90.320  9.0282 -0.7622604     12.95295  
1 1 1 -13 6   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -13 6   6  o 113.434 3.3674 637.542  37.703  690.290  102.079 629.209  40.572  116.330 8.9591 112.652 3.6488 3.678513       9.673640  
1 1 1 -13 6   7  o 82.174  1.4384 333.521  11.667  332.290  15.861  334.972  17.222  81.993  1.9598 82.313  2.1197 -0.3195648     2.886906  
1 1 1 -13 6   8  o 87.675  1.5529 379.785  13.439  382.703  18.997  376.861  19.013  87.963  2.1880 87.287  2.2069 0.6756592      3.107655  
1 1 1 -13 6   9  o 53.414  1.9326 141.091  10.189  153.908  15.416  131.148  13.578  55.654  2.8155 51.380  2.6867 4.274426       3.891706  
1 1 1 -13 6   10 o 73.029  1.4213 263.549  10.245  280.710  14.660  247.164  14.324  75.324  1.9718 70.673  2.0534 4.651390       2.846854  
1 1 1 -13 6   11 o 55.977  2.0278 155.106  11.204  152.734  16.323  157.219  15.406  55.369  2.9980 56.283  2.7732 -0.9142570     4.083956  
1 1 1 -13 6   12 o 29.054  0.8905 41.685   2.5536  39.869   4.3268  42.656   3.1633  28.354  1.5520 29.386  1.0906 -1.031981      1.896839  
1 1 1 -13 6   13 o 46.015  1.6171 104.735  7.3448  104.479  8.6187  105.414  14.038  45.939  1.9007 45.921  3.1155 0.1859665E-01  3.649538  
1 1 1 -13 7   1  f 83.335  6.3223 348.592  51.617  356.806  72.694  340.240  73.304  83.630  8.9453 81.544  9.2724 2.085075       12.88391  
1 1 1 -13 7   2  o 119.752 6.4546 718.456  76.011  711.835  107.493 725.078  107.498 118.263 9.2833 119.399 9.1922 -1.136208      13.06431  
1 1 1 -13 7   3  o 120.237 4.0449 717.074  48.004  0.0000   0.0000  717.074  48.004  ?       ?      120.237 4.0449 0.000000       4.044864  
1 1 1 -13 7   4  o 72.428  1.4791 259.076  10.574  270.591  16.485  251.027  13.783  73.985  2.2574 71.275  1.9592 2.710327       2.989049  
1 1 1 -13 7   5  o 77.430  2.2051 296.384  16.853  297.221  17.408  283.871  67.278  77.535  2.2746 74.172  9.4006 3.362724       9.671872  
1 1 1 -13 7   6  o 120.360 1.9845 716.023  23.576  703.028  33.901  728.194  32.808  119.163 2.8823 121.296 2.7403 -2.132683      3.977064  
1 1 1 -13 7   7  o 94.774  1.7109 443.851  16.005  456.003  23.264  432.932  22.053  95.998  2.4552 93.544  2.3885 2.453339       3.425356  
1 1 1 -13 7   8  o 49.879  1.0877 122.857  5.3553  118.942  6.8219  129.144  8.6448  49.068  1.4085 51.117  1.7134 -2.048729      2.218045  
1 1 1 -13 7   9  o 58.717  1.0773 170.267  6.2434  170.582  8.8372  169.952  8.8219  58.751  1.5239 58.643  1.5241 0.1085815      2.155284  
1 1 1 -13 7   10 o 83.874  1.9884 348.137  16.461  372.608  20.905  308.211  26.703  86.711  2.4426 78.703  3.4375 8.007645       4.216907  
1 1 1 -13 7   11 o 8.9992  1.7717 4.1463   1.5177  4.8041   2.3080  3.6451   2.0145  9.6569  2.4249 8.4502  2.3368 1.206699       3.367584  
1 1 1 -13 7   12 o 76.310  1.7975 288.163  13.539  281.076  19.304  295.025  18.994  75.256  2.5988 77.117  2.4954 -1.861641      3.602860  
1 1 1 -13 7   13 o 31.898  2.9466 51.036   9.1724  47.113   13.090  54.820   12.856  30.302  4.5145 32.845  4.0516 -2.542480      6.065984  
1 1 1 -13 8   1  f 105.265 2.0973 547.613  21.791  546.390  26.363  550.250  38.716  105.113 2.5410 105.361 3.7229 -0.2478104     4.507397  
1 1 1 -13 8   2  o 120.095 2.0658 712.786  24.488  722.828  35.078  703.238  34.202  120.852 2.9407 119.207 2.9068 1.645058       4.134846  
1 1 1 -13 8   3  o 104.234 1.8150 536.799  18.674  522.325  26.440  551.205  26.377  102.758 2.6068 105.568 2.5314 -2.809555      3.633664  
1 1 1 -13 8   4  o 56.892  1.3292 159.840  7.4644  169.730  10.469  149.611  10.646  58.610  1.8096 55.021  1.9603 3.588737       2.667862  
1 1 1 -13 8   5  o 132.248 2.1593 864.706  28.186  881.445  39.900  848.031  39.822  133.404 3.0302 130.843 3.0835 2.561264       4.323213  
1 1 1 -13 8   6  o 89.790  1.5700 398.313  13.914  386.796  20.790  407.658  18.727  88.421  2.3822 90.800  2.0895 -2.378883      3.168732  
1 1 1 -13 8   7  o 31.881  1.2315 50.197   3.8752  43.615   5.5195  56.596   5.4419  29.642  1.8965 33.842  1.6292 -4.200502      2.500148  
1 1 1 -13 8   8  o 83.238  1.6206 342.441  13.315  356.900  18.666  327.463  18.999  84.921  2.2269 81.329  2.3667 3.592194       3.249707  
1 1 1 -13 8   9  o 111.994 1.8695 620.426  20.666  617.388  29.573  623.326  28.891  111.583 2.6851 112.133 2.6103 -0.5499344     3.744796  
1 1 1 -13 8   10 o 50.205  1.6432 124.646  8.1427  122.529  9.6330  129.946  15.240  49.755  1.9615 51.046  3.0385 -1.291409      3.616668  
1 1 1 -13 8   11 o 57.518  1.2475 163.487  7.0825  166.308  9.1327  159.231  11.218  57.988  1.5956 56.706  2.0043 1.282032       2.561852  
1 1 1 -13 8   12 o 69.778  1.5459 240.804  10.647  230.945  15.361  249.921  14.771  68.249  2.2802 71.022  2.1071 -2.772537      3.104730  
1 1 1 -13 8   13 o 30.444  0.8523 45.775   2.5612  50.457   4.3299  43.256   3.1765  31.945  1.3732 29.588  1.0877 2.357109       1.751789  
1 1 1 -13 9   1  o 189.911 2.9084 1785.29  54.518  1778.76  77.092  1791.81  77.107  189.277 4.1264 189.974 4.1121 -0.6969452     5.825553  
1 1 1 -13 9   2  o 153.771 2.1877 1169.01  33.204  1153.10  47.093  1184.74  46.824  152.582 3.1270 154.671 3.0671 -2.089722      4.380045  
1 1 1 -13 9   3  o 21.072  1.1499 21.990   2.3827  24.603   3.3436  19.295   3.3963  22.265  1.5307 19.682  1.7671 2.582958       2.337897  
1 1 1 -13 9   4  f 31.209  1.5075 48.113   4.6438  50.124   12.068  47.763   5.0312  31.524  3.9663 31.049  1.6476 0.4752846      4.294927  
1 1 1 -13 9   5  o 68.719  1.4679 233.277  9.9562  240.729  13.932  225.499  14.233  69.778  2.0229 67.527  2.1354 2.250343       2.941434  
1 1 1 -13 9   6  o 42.891  1.1434 90.849   4.8407  94.821   8.3337  88.827   5.9468  43.792  1.9280 42.404  1.4208 1.388855       2.394977  
1 1 1 -13 9   7  o 114.428 1.9208 647.543  21.694  647.716  31.389  647.386  30.018  114.314 2.7819 114.306 2.6606 0.8049011E-02  3.849339  
1 1 1 -13 9   8  o 65.154  1.7851 209.931  11.480  221.891  16.725  199.276  15.787  66.916  2.5322 63.415  2.5221 3.500664       3.573962  
1 1 1 -13 9   9  o 18.979  1.1595 17.860   2.1616  18.434   3.2015  17.379   2.9304  19.231  1.7043 18.679  1.6050 0.5518169      2.341052  
1 1 1 -13 9   10 o 62.132  1.9619 191.129  12.032  198.480  17.240  184.149  16.799  63.216  2.7630 60.887  2.7952 2.329510       3.930312  
1 1 1 -13 9   11 o 45.116  1.3182 100.612  5.8700  107.391  8.2614  93.701   8.3420  46.580  1.7969 43.499  1.9429 3.080894       2.646452  
1 1 1 -13 9   12 o 75.686  2.5331 284.451  18.923  287.076  19.760  255.388  65.743  76.015  2.6336 68.168  10.075 7.847794       10.41308  
1 1 1 -13 9   13 o 22.820  7.4715 26.640   19.401  18.235   27.242  35.290   27.637  22.098  8.6309 26.219  8.9244 -4.120342      12.41521  
1 1 1 -13 10  1  f 117.769 1.9446 685.551  22.604  679.984  31.723  691.294  32.216  117.200 2.7423 118.168 2.7621 -0.9680252     3.892258  
1 1 1 -13 10  2  o 14.901  1.0389 11.016   1.5184  13.103   2.0952  8.7072   2.2035  16.235  1.3189 13.160  1.7389 3.074367       2.182541  
1 1 1 -13 10  3  o 15.828  4.9541 12.387   8.6008  20.590   12.301  4.5407   12.030  20.076  5.8500 14.037  5.6528 6.038445       8.134875  
1 1 1 -13 10  4  o 94.302  1.7446 439.524  16.239  455.671  23.528  424.835  22.442  95.947  2.4844 92.647  2.4541 3.299950       3.492105  
1 1 1 -13 10  5  o 84.650  1.7737 354.224  14.819  351.258  21.273  357.020  20.656  84.220  2.5591 84.919  2.4644 -0.6985550     3.552765  
1 1 1 -13 10  6  o 44.663  1.5358 98.580   6.7704  88.255   14.263  101.583  7.6924  42.001  3.4715 45.330  1.7192 -3.329212      3.873931  
1 1 1 -13 10  7  o 39.055  1.6689 75.411   6.4332  85.486   41.337  75.161   6.5126  39.526  10.440 38.989  1.6923 0.5371094      10.57644  
1 1 1 -13 10  8  o 66.623  1.6387 219.488  10.776  218.269  13.604  221.542  17.655  66.398  2.0758 66.823  2.6768 -0.4256210     3.387346  
1 1 1 -13 10  9  o 76.889  1.5589 292.357  11.831  297.368  16.810  287.439  16.653  77.468  2.1985 76.161  2.2152 1.306587       3.120982  
1 1 1 -13 10  10 o 15.114  5.4118 9.9731   10.239  12.538   13.038  5.8473   16.536  16.937  6.1026 16.146  6.5818 0.7907391      8.975600  
1 1 1 -13 10  11 o 57.794  6.8032 174.272  38.065  194.151  54.573  155.436  53.122  59.548  9.6122 52.608  10.597 6.940495       14.30684  
1 1 1 -13 10  12 o 19.310  7.2306 15.411   18.596  11.512   28.475  18.311   24.555  21.057  8.6162 21.513  8.2504 -0.4559441     11.92932  
1 1 1 -13 10  13 o 76.994  6.5661 309.334  49.423  296.745  69.392  322.295  70.410  73.012  9.8830 76.403  9.5448 -3.391876      13.73962  
1 1 1 -13 11  1  o 28.140  1.0782 39.101   2.9946  40.240   4.2207  37.947   4.2494  28.499  1.5058 27.668  1.5624 0.8305054      2.169901  
1 1 1 -13 11  2  o 44.925  1.2891 99.689   5.7163  87.998   8.0553  111.550  8.1132  42.186  1.9346 47.506  1.7303 -5.320267      2.595443  
1 1 1 -13 11  3  o 46.073  0.9871 104.815  4.4887  114.869  6.3595  94.833   6.3366  48.221  1.3361 43.810  1.4654 4.410992       1.983074  
1 1 1 -13 11  4  o 15.986  4.9315 12.774   8.5574  11.822   12.293  13.669   11.919  16.557  5.9299 17.149  5.8607 -0.5922375     8.337348  
1 1 1 -13 11  5  o 41.993  2.3785 87.612   9.8179  92.201   14.264  83.482   13.534  42.937  3.3933 40.845  3.3876 2.092754       4.794851  
1 1 1 -13 11  6  o 46.863  2.2140 108.749  10.241  104.926  14.689  112.366  14.285  45.828  3.2687 47.466  3.0655 -1.638550      4.481272  
1 1 1 -13 11  7  o 49.572  1.2036 121.411  5.8890  134.277  10.186  114.951  7.2175  52.083  1.9814 48.220  1.5165 3.863441       2.495145  
1 1 1 -13 11  8  o 52.608  7.7121 146.036  38.857  156.701  56.144  136.232  53.832  52.845  11.116 49.081  11.340 3.764099       15.87967  
1 1 1 -13 11  9  o 55.835  7.3443 163.939  39.493  176.018  55.776  151.793  55.928  56.257  10.429 51.667  11.283 4.589382       15.36433  
1 1 1 -13 11  10 o 67.031  7.0135 234.827  45.716  243.309  65.034  226.541  64.277  66.250  10.278 63.673  10.600 2.576668       14.76499  
1 1 1 -13 11  11 o 35.778  1.7033 63.370   6.0153  77.376   15.088  60.723   6.5591  39.080  3.9665 34.958  1.9081 4.121655       4.401571  
1 1 1 -13 11  12 f 73.846  1.9217 270.280  14.007  276.085  19.403  263.962  20.241  74.494  2.6389 72.799  2.8169 1.694702       3.859892  
1 1 1 -13 12  1  o 75.878  1.8045 284.710  13.515  285.484  19.356  283.974  18.879  75.901  2.5837 75.707  2.5264 0.1940842      3.613593  
1 1 1 -13 12  2  o 22.710  1.0438 25.470   2.3398  22.780   3.2908  28.219   3.3275  21.411  1.5681 23.855  1.4196 -2.444124      2.115209  
1 1 1 -13 12  3  o 22.981  0.8002 26.076   1.8151  24.191   2.5844  27.912   2.5499  22.097  1.1893 23.772  1.0867 -1.674761      1.610998  
1 1 1 -13 12  4  o 2.4991  1.2339 -2.4738  1.1045  -6.4128  1.8475  -0.2830  1.3778  2.7445  1.3884 4.1275  1.7992 -1.382998      2.272611  
1 1 1 -13 12  5  o 125.118 2.1986 775.408  27.152  779.907  38.403  770.911  38.394  125.253 3.1063 124.523 3.1238 0.7295380      4.405389  
1 1 1 -13 12  6  o 37.846  9.1797 78.367   33.939  84.391   62.890  75.891   40.313  39.034  13.457 36.975  10.536 2.059013       17.09093  
1 1 1 -13 12  7  o 50.552  7.4635 134.829  36.120  134.653  50.708  135.009  51.465  48.940  10.788 48.933  10.931 0.7148743E-02  15.35794  
1 1 1 -13 12  8  o 65.500  7.0860 224.325  45.082  219.984  65.365  228.264  62.258  62.539  10.990 64.290  10.148 -1.751457      14.95878  
1 1 1 -13 12  9  o 9.0835  1.5598 4.1975   1.3481  4.2678   1.3495  -29.6074 29.596  9.1627  1.5473 15.584  7.3562 -6.421223      7.517173  
1 1 1 -13 12  10 o 19.789  0.9129 19.344   1.7831  21.543   2.2257  15.403   2.9797  20.851  1.0852 17.552  1.7430 3.299580       2.053220  
1 1 1 -13 12  11 f 28.270  3.6001 40.659   9.8177  38.000   14.488  42.917   13.350  26.780  5.6583 28.720  4.8843 -1.940557      7.474807  
1 1 1 -13 12  12 o 44.975  1.1519 100.000  5.1135  97.992   6.2900  103.914  8.7813  44.500  1.4320 45.773  1.9436 -1.273445      2.414203  
1 1 1 -13 13  1  o 22.522  0.8211 25.046   1.8252  25.047   2.6032  25.045   2.5599  22.485  1.1770 22.486  1.1573 -0.6637573E-03 1.650681  
1 1 1 -13 13  2  o 15.412  1.4230 11.841   2.1403  14.977   3.1366  9.1088   2.9279  17.297  1.8668 13.370  2.3016 3.926205       2.963551  
1 1 1 -13 13  3  o 38.541  8.6350 80.532   32.034  80.344   47.703  80.686   43.234  37.909  11.635 38.016  10.935 -0.1073341     15.96727  
1 1 1 -13 13  4  o 53.477  7.2294 149.812  37.181  138.488  52.617  161.106  52.547  49.608  11.031 54.041  10.226 -4.433071      15.04164  
1 1 1 -13 13  5  o 115.230 6.6722 684.233  75.562  670.524  106.928 697.907  106.795 111.377 9.8274 113.872 9.5910 -2.495384      13.73188  
1 1 1 -13 13  6  o 64.069  7.0750 214.726  43.995  222.749  62.320  206.755  62.117  63.373  10.318 60.731  10.756 2.641582       14.90487  
1 1 1 -13 13  7  o 65.283  1.6456 210.927  10.603  214.396  16.391  208.430  13.905  65.691  2.5279 64.827  2.1731 0.8639832      3.333604  
1 1 1 -13 13  8  o 13.305  1.2350 8.8258   1.6034  9.5058   2.4141  8.2890   2.1448  13.734  1.8261 12.822  1.7396 0.9114904      2.522100  
1 1 1 -13 13  9  o 85.402  1.7391 361.211  14.660  380.815  24.982  350.914  18.105  87.419  2.8952 84.092  2.1813 3.326950       3.624951  
1 1 1 -13 13  10 o 13.939  5.1224 8.0768   9.2514  6.7676   13.832  9.1367   12.445  15.261  6.0907 15.488  5.8893 -0.2276573     8.472309  
1 1 1 -13 13  11 o 28.307  0.9789 39.595   2.7351  42.872   4.6816  37.897   3.3701  29.378  1.6208 27.683  1.2334 1.695108       2.036696  
1 1 1 -13 14  1  o 35.496  7.8205 68.131   26.660  66.632   37.972  69.588   37.440  34.570  10.332 35.281  10.184 -0.7117043     14.50776  
1 1 1 -13 14  2  o 109.905 6.6968 624.501  72.300  601.183  101.469 648.549  103.044 105.068 9.9011 109.414 9.6400 -4.346344      13.81882  
1 1 1 -13 14  3  o 18.176  7.6463 4.3755   23.313  15.121   35.417  -3.8401  30.968  23.436  9.6017 19.233  8.4528 4.203115       12.79229  
1 1 1 -13 14  4  o 22.163  0.8894 24.261   1.9455  28.217   2.4210  17.049   3.2689  23.898  1.0263 18.466  1.8170 5.431557       2.086805  
1 1 1 -13 14  5  f 55.270  1.3387 151.055  7.3033  155.248  10.286  146.791  10.372  55.981  1.8615 54.427  1.9306 1.553967       2.681911  
1 1 1 -13 14  6  o 41.975  1.0850 87.070   4.4952  92.064   5.7634  79.314   7.1826  43.146  1.3533 40.013  1.8186 3.132576       2.266939  
1 1 1 -13 14  7  o 53.175  1.0799 139.740  5.6678  152.475  8.0350  127.128  7.9960  55.513  1.4664 50.677  1.5986 4.835934       2.169285  
1 1 1 -13 14  8  o 14.070  5.1378 8.3657   9.2862  19.733   13.742  -1.1884  12.598  19.635  6.2765 12.593  5.4652 7.041753       8.322419  
1 1 1 -13 14  9  o 41.622  1.1984 85.658   4.9232  84.431   7.0287  86.840   6.8980  41.282  1.7250 41.872  1.6691 -0.5899620     2.400281  
1 1 1 -13 14  10 o 90.321  2.4890 406.111  22.190  582.349  88.987  394.426  22.913  102.852 8.8518 88.974  2.6091 13.87789       9.228325  
1 1 1 -13 15  1  o 26.521  1.5624 34.930   4.0720  34.876   4.1093  37.860   30.286  26.499  1.5783 27.052  9.3381 -0.5536194     9.470565  
1 1 1 -13 15  2  f 44.934  1.3717 99.864   6.0836  100.670  8.5757  99.048   8.6317  45.067  1.9279 44.699  1.9564 0.3673782      2.746680  
1 1 1 -13 15  3  o 79.980  1.6386 316.706  12.936  321.676  18.115  311.535  18.478  80.485  2.2802 79.188  2.3641 1.297035       3.284559  
1 1 1 -13 15  4  o 34.763  2.9075 60.662   9.8849  63.289   14.442  58.347   13.558  35.189  4.2437 33.794  4.1521 1.395828       5.937066  
1 1 1 -13 15  5  o 75.568  1.8895 283.082  14.094  287.488  20.159  278.868  19.712  75.981  2.6880 74.838  2.6685 1.142998       3.787625  
1 1 1 -13 15  6  o 54.482  1.4337 146.880  7.7101  146.023  11.484  147.584  10.403  54.235  2.1454 54.554  1.9320 -0.3194542     2.887053  
1 1 1 -13 15  7  o 7.6759  2.3858 2.9116   1.9987  11.446   13.875  2.7307   2.0197  16.684  6.2461 7.5041  2.4071 9.180227       6.693880  
1 1 1 -13 15  8  o 21.220  1.2678 22.352   2.6433  17.817   3.8381  26.444   3.6456  18.827  2.1012 23.050  1.6126 -4.222803      2.648666  
1 1 1 -13 15  9  o 13.187  0.9153 8.6349   1.1841  6.8995   1.7305  10.163   1.6236  11.704  1.5350 14.288  1.1613 -2.584571      1.924802  
1 1 1 -13 16  1  o 36.756  1.0168 66.766   3.6891  59.028   6.2115  70.983   4.5854  34.460  1.8328 37.888  1.2262 -3.427513      2.205123  
1 1 1 -13 16  2  o 34.258  1.8247 58.338   6.1478  56.784   6.2245  120.209  39.284  33.790  1.8736 46.391  8.9029 -12.60085      9.097901  
1 1 1 -13 16  3  o 73.076  1.7300 264.612  12.478  272.849  20.325  259.629  15.808  73.968  2.7839 72.291  2.2155 1.676414       3.557844  
1 1 1 -13 16  4  o 13.880  1.2261 9.6013   1.6625  14.844   2.3237  4.1043   2.3794  17.266  1.3749 8.9709  2.5607 8.295177       2.906496  
1 1 1 -13 16  5  o 42.466  1.2323 89.195   5.1655  92.060   7.3886  86.455   7.2243  43.097  1.7369 41.763  1.7526 1.334244       2.467465  
1 1 1 -13 16  6  o 54.632  1.4530 147.761  7.8352  148.933  11.247  146.656  10.922  54.758  2.0809 54.345  2.0361 0.4126740      2.911304  
1 1 1 -13 16  7  o 23.733  4.7544 29.713   10.749  28.735   16.212  30.481   14.359  23.034  6.7170 23.728  6.0979 -0.6941586     9.072081  
1 1 1 -13 16  8  o 15.146  5.8978 8.1755   12.691  2.7063   15.802  18.114   21.300  14.851  6.2738 20.335  7.7113 -5.484113      9.941086  
1 1 1 -13 17  1  o 54.188  1.4069 145.365  7.5249  140.898  10.617  149.874  10.667  53.261  2.0196 54.940  1.9670 -1.679462      2.819206  
1 1 1 -13 17  2  o 16.658  1.7528 13.912   2.8387  13.438   2.9135  22.786   12.606  16.356  1.8364 20.637  5.8952 -4.281170      6.174615  
1 1 1 -13 17  3  o 15.102  1.3391 11.376   1.9753  11.432   1.9802  -0.1649  28.340  15.139  1.3389 18.597  8.1318 -3.457965      8.241302  
1 1 1 -13 17  4  o 10.818  1.3642 5.8843   1.4243  13.052   2.0181  -1.2276  2.0103  16.191  1.2731 4.5314  2.0594 11.65946       2.421152  
1 1 1 -13 17  5  o 38.602  1.1130 73.697   4.2409  76.686   5.3239  68.509   7.0151  39.356  1.3705 37.091  1.9227 2.264145       2.361197  
1 1 1 -12 -18 1  o 30.036  2.8192 45.189   8.2602  42.660   9.2055  55.639   18.713  29.101  3.2608 32.632  6.0320 -3.530653      6.857021  
1 1 1 -12 -17 1  o 103.464 1.9119 529.643  19.525  523.196  23.867  542.689  33.951  102.765 2.3530 104.471 3.2925 -1.705391      4.046875  
1 1 1 -12 -17 2  o 103.053 1.6490 525.162  16.773  526.542  22.949  523.580  24.575  103.099 2.2552 102.779 2.4224 0.3197937      3.309696  
1 1 1 -12 -16 1  o 30.021  2.5683 44.984   7.5370  43.328   9.5344  47.742   12.306  29.341  3.3523 30.665  4.1743 -1.323736      5.353812  
1 1 1 -12 -16 2  o 60.361  1.5971 180.110  9.5152  175.553  12.777  185.783  14.257  59.550  2.1738 61.244  2.3585 -1.693722      3.207484  
1 1 1 -12 -16 3  o 130.681 3.3697 849.422  43.465  723.218  111.500 872.037  47.199  116.949 9.7481 132.332 3.6135 -15.38258      10.39628  
1 1 1 -12 -15 1  o 90.803  1.5728 407.437  14.097  417.143  19.282  396.295  20.660  91.830  2.1274 89.484  2.3391 2.345970       3.161847  
1 1 1 -12 -15 2  o 73.848  1.4612 269.479  10.651  260.286  14.624  279.864  15.543  72.535  2.0427 75.209  2.0939 -2.673790      2.925200  
1 1 1 -12 -15 3  o 56.228  1.4742 156.241  8.1816  157.021  10.314  154.917  13.438  56.346  1.8545 55.924  2.4345 0.4221268      3.060319  
1 1 1 -12 -15 4  o 47.513  6.3986 116.283  29.244  129.283  42.100  104.160  40.653  49.227  8.9960 43.851  9.6539 5.376030       13.19568  
1 1 1 -12 -14 1  o 111.834 1.6303 617.913  17.996  635.895  25.089  598.857  25.827  113.394 2.2416 110.028 2.3782 3.366158       3.268132  
1 1 1 -12 -14 2  o 73.546  1.3893 267.194  10.085  266.390  13.385  268.249  15.340  73.409  1.8473 73.646  2.1103 -0.2371902     2.804614  
1 1 1 -12 -14 3  o 77.252  1.5190 294.907  11.583  283.575  15.109  311.062  18.039  75.716  2.0217 79.274  2.3054 -3.557755      3.066288  
1 1 1 -12 -14 4  o 40.209  6.8188 84.082   26.095  85.576   37.631  82.699   36.219  39.790  9.6752 39.156  9.4740 0.6334229      13.54130  
1 1 1 -12 -14 5  o 19.333  2.8216 18.924   5.2257  17.689   6.0009  22.799   10.630  18.579  3.3975 20.909  5.1778 -2.330133      6.192932  
1 1 1 -12 -13 1  o 148.928 2.1822 1096.35  32.077  1067.60  39.429  1152.63  55.163  146.897 2.7194 152.480 3.6652 -5.582962      4.563840  
1 1 1 -12 -13 2  o 186.342 2.5657 1718.11  47.190  1711.46  58.668  1730.30  79.423  185.848 3.1982 186.562 4.3131 -0.7136841     5.369501  
1 1 1 -12 -13 3  o 79.890  1.3950 315.267  11.000  327.461  14.851  300.445  16.374  81.392  1.8486 77.942  2.1284 3.450066       2.819114  
1 1 1 -12 -13 4  o 71.121  2.9193 250.781  20.493  0.0000   0.0000  250.781  20.493  ?       ?      71.121  2.9193 0.000000       2.919299  
1 1 1 -12 -13 5  o 50.477  6.3917 130.613  31.132  131.524  44.431  129.735  43.634  49.651  9.4108 49.343  9.3002 0.3073273      13.23089  
1 1 1 -12 -13 6  o 76.886  1.3435 292.072  10.196  268.908  13.093  327.767  16.253  73.742  1.7988 81.392  2.0231 -7.649780      2.707128  
1 1 1 -12 -12 1  o 162.079 2.0084 1297.92  32.130  1253.13  45.156  1343.84  45.727  159.163 2.8744 164.832 2.8106 -5.668335      4.020131  
1 1 1 -12 -12 2  o 78.108  1.3120 301.254  10.115  309.929  14.669  293.390  13.966  79.201  1.8764 77.061  1.8362 2.140381       2.625347  
1 1 1 -12 -12 3  o 76.063  1.3324 285.720  10.004  271.107  13.584  303.036  14.787  74.068  1.8581 78.305  1.9131 -4.237122      2.666938  
1 1 1 -12 -12 4  o 23.039  1.9949 26.441   4.4919  24.104   6.0196  29.377   6.7475  21.876  2.8560 24.182  2.8838 -2.306267      4.058709  
1 1 1 -12 -12 5  o 191.408 7.0572 1855.78  133.329 1882.65  188.751 1829.02  188.361 190.023 10.100 187.156 10.235 2.866791       14.37939  
1 1 1 -12 -12 6  o 102.767 6.2954 534.787  63.550  553.597  90.057  516.130  89.690  103.271 8.9226 99.518  9.2361 3.752380       12.84202  
1 1 1 -12 -12 7  o 34.186  1.4575 57.752   4.9181  59.224   6.0120  54.774   8.5509  34.563  1.7682 33.140  2.6359 1.423031       3.174000  
1 1 1 -12 -11 1  o 75.413  2.7818 281.203  20.706  0.0000   0.0000  281.203  20.706  ?       ?      75.413  2.7818 0.000000       2.781808  
1 1 1 -12 -11 2  o 21.651  2.2071 23.405   4.6507  25.550   6.4706  21.112   6.6891  22.531  2.9830 20.371  3.4499 2.159466       4.560653  
1 1 1 -12 -11 3  o 101.903 1.4963 512.845  15.050  494.989  21.297  530.658  21.271  100.075 2.1560 103.623 2.0797 -3.548256      2.995555  
1 1 1 -12 -11 4  o 91.002  1.4177 409.008  12.734  386.156  17.834  432.778  18.188  88.386  2.0442 93.575  1.9692 -5.188904      2.838433  
1 1 1 -12 -11 5  o 121.504 1.7621 729.633  21.132  745.923  30.083  713.765  29.692  122.767 2.4826 120.089 2.5050 2.678596       3.526778  
1 1 1 -12 -11 6  o 41.068  6.3736 86.879   24.998  87.689   35.326  86.066   35.380  40.546  9.0557 40.144  9.1347 0.4020271      12.86267  
1 1 1 -12 -11 7  o 29.986  6.8308 47.271   19.766  52.674   29.949  43.102   26.310  31.548  9.1093 28.741  8.6028 2.806622       12.52945  
1 1 1 -12 -11 8  o 63.921  1.1896 201.824  7.5054  194.839  9.9969  210.846  11.362  62.782  1.6132 65.300  1.7628 -2.517883      2.389577  
1 1 1 -12 -10 1  o 152.242 1.9064 1144.79  28.647  1165.48  40.680  1124.43  40.349  153.550 2.6841 150.819 2.7105 2.730484       3.814564  
1 1 1 -12 -10 2  o 25.204  6.2963 32.886   15.618  34.599   22.205  31.209   21.970  26.182  7.9184 25.116  7.9265 1.065794       11.20407  
1 1 1 -12 -10 3  o 27.120  1.7701 36.484   4.7124  39.653   6.4160  32.772   6.9440  28.230  2.3232 25.591  2.7945 2.638805       3.634116  
1 1 1 -12 -10 4  o 123.056 1.6707 747.993  20.292  755.469  28.684  740.504  28.710  123.616 2.3509 122.383 2.3767 1.232903       3.343025  
1 1 1 -12 -10 5  o 88.254  1.3270 384.655  11.559  398.836  16.654  371.473  16.057  89.836  1.8782 86.700  1.8763 3.136337       2.654809  
1 1 1 -12 -10 6  o 146.897 1.8877 1066.72  27.371  1020.10  38.481  1114.46  38.940  143.524 2.7163 150.031 2.6296 -6.507126      3.780619  
1 1 1 -12 -10 7  o 19.789  6.1346 19.667   13.224  16.688   18.816  22.574   18.589  19.994  7.3116 21.726  7.3195 -1.731358      10.34573  
1 1 1 -12 -10 8  o 21.361  6.5285 23.174   15.037  24.599   23.148  22.134   19.779  23.162  8.1539 21.799  7.5451 1.362803       11.10921  
1 1 1 -12 -10 9  o 70.217  1.2721 243.578  8.8167  260.465  12.286  225.648  12.660  72.580  1.7150 67.541  1.8990 5.039101       2.558783  
1 1 1 -12 -9  1  o 94.779  1.4767 443.530  13.814  418.550  18.947  471.879  20.184  92.050  2.0854 97.738  2.0923 -5.688164      2.954081  
1 1 1 -12 -9  2  o 132.466 1.9031 866.688  24.883  841.017  35.161  892.441  35.217  130.434 2.7311 134.369 2.6554 -3.934601      3.809191  
1 1 1 -12 -9  3  o 134.372 2.3701 892.297  31.435  903.571  32.699  754.902  114.147 135.212 2.4501 121.991 9.5563 13.22051       9.865393  
1 1 1 -12 -9  4  o 128.696 1.7400 818.077  22.102  825.829  31.263  810.330  31.252  129.251 2.4505 128.031 2.4731 1.220581       3.481542  
1 1 1 -12 -9  5  o 117.287 1.6308 679.484  18.879  684.500  26.838  674.571  26.563  117.667 2.3108 116.811 2.3039 0.8559418      3.263044  
1 1 1 -12 -9  6  o 197.059 2.6875 1921.97  52.273  1913.96  73.958  1929.97  73.894  196.362 3.8159 197.187 3.7966 -0.8253326     5.382849  
1 1 1 -12 -9  7  o 93.898  1.3758 435.522  12.751  436.694  18.431  434.445  17.659  93.978  1.9870 93.743  1.9085 0.2353516      2.755080  
1 1 1 -12 -9  8  o 32.138  3.3033 51.802   10.329  32.645   25.567  55.539   11.292  25.777  8.5836 33.259  3.4919 -7.482241      9.266673  
1 1 1 -12 -9  9  o 46.138  6.4296 109.451  28.485  100.806  40.419  117.981  40.149  43.263  9.7044 47.132  8.9579 -3.868515      13.20679  
1 1 1 -12 -8  1  o 136.953 1.9104 926.330  25.825  962.315  37.143  892.654  35.931  139.538 2.6968 134.391 2.7088 5.146179       3.822323  
1 1 1 -12 -8  2  o 144.742 2.1385 1034.92  30.552  1015.43  41.491  1057.99  45.156  143.313 2.9332 146.267 3.1278 -2.954300      4.287929  
1 1 1 -12 -8  3  o 238.072 3.0039 2802.79  70.587  2739.45  95.888  2877.71  104.290 235.157 4.1312 240.960 4.3849 -5.803436      6.024489  
1 1 1 -12 -8  4  o 158.676 2.2160 1244.07  34.706  1260.38  43.276  1214.68  58.099  159.661 2.7461 156.613 3.7585 3.047485       4.654776  
1 1 1 -12 -8  5  o 75.856  1.2525 284.102  9.3775  287.686  13.144  280.386  13.383  76.317  1.7449 75.340  1.7997 0.9765625      2.506690  
1 1 1 -12 -8  6  o 29.000  1.6437 41.676   4.6855  39.301   6.0812  45.147   7.3505  28.109  2.2096 30.111  2.4957 -2.001276      3.333333  
1 1 1 -12 -8  7  o 115.817 1.5618 662.667  17.854  658.834  25.372  666.426  25.128  115.420 2.2271 116.087 2.1930 -0.6667328     3.125588  
1 1 1 -12 -8  8  o 84.452  1.3106 352.284  10.925  336.887  15.157  368.934  15.761  82.550  1.8603 86.388  1.8484 -3.838089      2.622442  
1 1 1 -12 -8  9  o 81.123  1.2773 325.070  10.227  318.630  14.808  330.944  14.142  80.275  1.8689 81.821  1.7511 -1.545822      2.561050  
1 1 1 -12 -8  10 o 44.503  2.4591 98.389   10.760  103.661  15.129  92.993   15.305  45.552  3.3892 43.090  3.6324 2.461800       4.968047  
1 1 1 -12 -7  1  o 88.116  1.4845 383.356  12.911  359.899  18.605  405.143  17.931  85.356  2.2084 90.570  2.0058 -5.213943      2.983327  
1 1 1 -12 -7  2  o 205.733 2.7788 2092.08  56.428  2130.00  79.438  2053.47  80.168  207.437 3.8798 203.659 3.9881 3.777817       5.563957  
1 1 1 -12 -7  3  o 120.135 1.7458 712.728  20.701  700.256  29.178  725.369  29.374  119.041 2.4833 121.158 2.4563 -2.117432      3.492856  
1 1 1 -12 -7  4  o 227.238 2.9130 2553.28  65.337  2519.02  88.881  2593.56  96.375  225.519 3.9929 228.773 4.2680 -3.253662      5.844615  
1 1 1 -12 -7  5  o 34.625  1.3100 59.194   4.4772  51.970   5.9362  68.725   6.8186  32.383  1.8651 37.301  1.8520 -4.917923      2.628421  
1 1 1 -12 -7  6  o 104.532 1.4946 539.627  15.421  549.605  21.895  529.804  21.724  105.459 2.1034 103.541 2.1257 1.918633       2.990461  
1 1 1 -12 -7  7  o 76.257  1.3277 287.173  9.9938  274.971  14.116  299.435  14.151  74.593  1.9172 77.845  1.8417 -3.251564      2.658507  
1 1 1 -12 -7  8  o 49.721  1.1965 122.086  5.8719  117.197  7.7125  128.828  9.0570  48.703  1.6044 51.055  1.7973 -2.351875      2.409189  
1 1 1 -12 -7  9  f 32.980  1.3483 53.729   4.3889  54.201   5.8329  53.114   6.6635  33.064  1.7940 32.704  2.0750 0.3597603      2.743017  
1 1 1 -12 -7  10 o 31.197  1.5593 48.095   4.8014  51.960   6.1889  42.253   7.6094  32.355  1.9470 29.080  2.6813 3.275209       3.313604  
1 1 1 -12 -7  11 o 31.618  1.8385 49.610   5.7130  55.055   8.6666  45.425   7.5974  33.220  2.6656 30.166  2.5763 3.053482       3.707078  
1 1 1 -12 -6  1  o 70.560  1.1726 245.770  8.1667  234.438  11.115  259.063  12.039  68.905  1.6343 72.433  1.6839 -3.527458      2.346581  
1 1 1 -12 -6  2  o 167.245 2.2016 1381.72  36.344  1367.05  49.345  1399.10  53.730  166.288 3.0064 168.203 3.2363 -1.914352      4.417284  
1 1 1 -12 -6  3  o 40.105  1.1888 79.401   4.7060  76.221   7.3876  81.572   6.1049  39.285  1.9052 40.646  1.5217 -1.361103      2.438318  
1 1 1 -12 -6  4  o 178.988 2.3936 1583.01  42.287  1616.95  60.827  1551.27  58.827  180.783 3.4089 177.079 3.3657 3.703766       4.790459  
1 1 1 -12 -6  5  o 109.116 2.4843 588.448  26.756  0.0000   0.0000  588.448  26.756  ?       ?      109.116 2.4843 0.000000       2.484305  
1 1 1 -12 -6  6  o 56.392  1.1771 157.000  6.5517  158.802  9.1594  155.112  9.3755  56.705  1.6365 56.041  1.6950 0.6641235      2.356044  
1 1 1 -12 -6  7  o 103.398 1.4875 528.010  15.182  530.482  21.418  525.514  21.523  103.603 2.0944 103.116 2.1147 0.4877396      2.976300  
1 1 1 -12 -6  8  o 12.153  3.1698 7.5880   3.8420  8.4532   5.0475  6.3963   5.9239  12.921  3.7422 11.946  4.1296 0.9749603      5.572888  
1 1 1 -12 -6  9  o 73.445  1.2174 266.403  8.8255  249.721  12.381  283.634  12.584  71.080  1.7647 75.758  1.6828 -4.678070      2.438499  
1 1 1 -12 -6  10 o 64.707  1.2411 206.806  7.9267  201.378  11.263  212.134  11.158  63.824  1.7879 65.510  1.7256 -1.686062      2.484792  
1 1 1 -12 -6  11 o 40.772  1.5975 82.163   6.4290  76.373   8.0292  92.508   10.732  39.234  2.0808 43.141  2.5314 -3.906796      3.276857  
1 1 1 -12 -5  1  o 89.032  1.3508 391.331  11.870  378.333  16.634  404.818  16.944  87.526  1.9255 90.539  1.8961 -3.012733      2.702315  
1 1 1 -12 -5  2  o 214.838 2.7378 2281.11  58.057  2224.24  85.791  2329.17  78.857  211.956 4.1007 216.964 3.6823 -5.008835      5.511373  
1 1 1 -12 -5  3  o 54.826  1.1928 148.390  6.4550  146.448  8.9439  150.502  9.3255  54.459  1.6639 55.207  1.7114 -0.7476311     2.386893  
1 1 1 -12 -5  4  o 166.219 2.1416 1364.82  35.136  1361.60  49.730  1368.03  49.651  165.944 3.0361 166.336 3.0242 -0.3924103     4.285310  
1 1 1 -12 -5  5  o 102.900 1.5987 522.856  16.237  544.924  22.690  499.692  23.246  105.023 2.1888 100.562 2.3420 4.460930       3.205575  
1 1 1 -12 -5  6  o 56.286  12.716 168.591  68.979  0.0000   0.0000  168.591  68.979  ?       ?      56.286  12.716 0.000000       12.71599  
1 1 1 -12 -5  7  o 152.192 2.3903 1145.02  35.908  1152.18  59.466  1140.91  45.047  152.446 3.9520 151.845 3.0056 0.6011963      4.965114  
1 1 1 -12 -5  8  o 157.518 2.0427 1226.35  31.760  1243.28  45.031  1209.59  44.800  158.484 2.8786 156.318 2.9036 2.166473       4.088694  
1 1 1 -12 -5  9  o 33.771  1.3623 56.332   4.5409  51.060   6.0714  63.024   6.8408  32.081  1.9263 35.652  1.9514 -3.570930      2.741951  
1 1 1 -12 -5  10 o 99.678  1.4825 490.901  14.586  477.646  20.406  504.749  20.856  98.266  2.1039 101.017 2.0917 -2.750832      2.966722  
1 1 1 -12 -5  11 o 52.940  1.2638 138.440  6.6041  139.977  9.0167  136.662  9.6999  53.213  1.7167 52.571  1.8693 0.6419563      2.538000  
1 1 1 -12 -5  12 o 39.828  1.8788 78.460   7.3857  82.407   13.353  76.720   8.8653  40.581  3.3639 39.296  2.2957 1.285305       4.072582  
1 1 1 -12 -4  1  o 161.496 2.1710 1288.26  34.606  1301.14  48.783  1275.22  49.100  162.234 3.0465 160.605 3.0973 1.628662       4.344464  
1 1 1 -12 -4  2  o 116.100 1.6070 665.550  18.415  678.229  26.124  653.028  25.962  117.173 2.2588 114.974 2.2877 2.198944       3.214950  
1 1 1 -12 -4  3  o 204.369 2.7744 2064.33  55.964  1975.77  93.404  2113.93  69.901  199.653 4.7397 206.729 3.4257 -7.076324      5.848125  
1 1 1 -12 -4  4  o 120.071 1.6969 711.917  20.111  723.194  28.742  701.100  28.150  120.982 2.4069 119.121 2.3942 1.861588       3.394865  
1 1 1 -12 -4  5  o 123.095 1.8454 748.345  22.421  720.627  31.301  777.557  32.133  120.749 2.6263 125.430 2.5954 -4.681183      3.692376  
1 1 1 -12 -4  6  o 66.430  1.1882 217.861  7.7911  217.711  11.009  218.011  11.028  66.396  1.6798 66.442  1.6815 -0.4577637E-01 2.376839  
1 1 1 -12 -4  7  o 29.510  1.5064 43.115   4.3731  42.293   4.4315  73.720   27.028  29.224  1.5418 37.720  7.5236 -8.495676      7.679902  
1 1 1 -12 -4  8  o 115.901 1.7936 663.645  20.518  641.975  30.639  681.265  27.629  113.914 2.7250 117.382 2.3847 -3.467522      3.621074  
1 1 1 -12 -4  9  o 43.881  1.2191 95.085   5.2803  98.192   7.4442  91.939   7.4910  44.579  1.6918 43.135  1.7595 1.444748       2.440890  
1 1 1 -12 -4  10 o 33.951  1.6139 56.960   5.4083  57.382   7.2549  56.432   8.1138  33.990  2.1739 33.676  2.4580 0.3140221      3.281365  
1 1 1 -12 -4  11 o 63.017  1.2705 196.158  7.9026  191.053  11.204  201.212  11.148  62.163  1.8261 63.798  1.7704 -1.634827      2.543366  
1 1 1 -12 -4  12 o 104.075 1.5656 535.346  16.083  552.206  23.081  519.431  22.424  105.624 2.2139 102.441 2.2177 3.183006       3.133580  
1 1 1 -12 -3  1  o 221.982 2.9022 2435.59  63.588  2539.10  90.213  2333.39  89.644  226.487 4.0354 217.095 4.1835 9.392578       5.812590  
1 1 1 -12 -3  2  o 50.188  1.1311 124.337  5.6031  124.164  8.3156  124.481  7.5829  50.145  1.6801 50.212  1.5300 -0.6626129E-01 2.272372  
1 1 1 -12 -3  3  o 89.787  1.3352 398.000  11.833  396.624  16.649  399.405  16.821  89.617  1.8822 89.930  1.8950 -0.3131714     2.670886  
1 1 1 -12 -3  4  o 155.623 2.5320 1196.75  38.893  1183.09  68.463  1203.27  47.259  154.521 4.4889 155.999 3.0692 -1.478409      5.437846  
1 1 1 -12 -3  5  o 144.738 1.8458 1034.61  26.370  1019.93  37.414  1049.10  37.172  143.654 2.6387 145.698 2.5848 -2.044128      3.693777  
1 1 1 -12 -3  6  o 12.570  1.5086 7.9140   1.8343  7.3234   1.9226  13.903   6.1223  12.065  1.6583 16.429  3.8437 -4.364277      4.186166  
1 1 1 -12 -3  7  o 169.156 2.1931 1413.88  36.617  1434.04  52.071  1394.16  51.503  170.254 3.0986 167.869 3.1083 2.385498       4.388961  
1 1 1 -12 -3  8  o 47.902  1.4700 113.318  6.9501  115.999  9.1008  109.565  10.765  48.455  1.9029 47.079  2.3167 1.375496       2.997991  
1 1 1 -12 -3  9  o 174.759 2.9780 1512.24  51.368  1523.38  82.530  1505.20  65.630  174.946 4.7794 174.166 3.8177 0.7795715      6.117008  
1 1 1 -12 -3  10 o 98.080  1.5500 475.283  15.005  479.050  21.139  471.457  21.303  98.415  2.1761 97.629  2.2108 0.7865753      3.102075  
1 1 1 -12 -3  11 o 19.087  2.6840 18.399   4.9168  15.684   6.9082  21.186   6.9994  17.404  4.0906 20.350  3.6173 -2.945826      5.460542  
1 1 1 -12 -3  12 o 154.396 2.2038 1179.78  33.585  1171.35  47.682  1188.07  47.313  153.621 3.1446 154.726 3.0980 -1.105392      4.414348  
1 1 1 -12 -3  13 o 36.557  6.9337 70.115   24.103  74.162   33.371  65.699   34.851  37.040  9.1752 34.850  9.7492 2.189804       13.38772  
1 1 1 -12 -2  1  o 227.868 2.8347 2566.30  63.755  2634.94  94.384  2508.71  86.463  230.703 4.1449 225.151 3.8907 5.552200       5.684839  
1 1 1 -12 -2  2  o 60.409  1.2646 180.153  7.5405  163.310  10.642  197.133  10.686  57.506  1.8749 63.184  1.7134 -5.678383      2.539897  
1 1 1 -12 -2  3  o 35.138  1.1073 60.948   3.8405  65.592   5.6474  56.953   5.2383  36.448  1.5698 33.963  1.5626 2.484924       2.214963  
1 1 1 -12 -2  4  o 117.157 1.8708 677.859  21.634  681.095  28.498  673.459  33.235  117.406 2.4592 116.720 2.8848 0.6863174      3.790716  
1 1 1 -12 -2  5  o 160.470 2.1408 1272.04  33.907  1228.35  46.297  1322.60  49.799  157.619 2.9758 163.544 3.0850 -5.924255      4.286331  
1 1 1 -12 -2  6  o 173.283 2.4403 1483.86  41.737  1506.06  52.283  1444.84  69.300  174.512 3.0353 170.782 4.1111 3.729660       5.110215  
1 1 1 -12 -2  7  o 62.442  1.5506 192.534  9.5570  184.482  13.252  201.260  13.795  61.104  2.1973 63.822  2.1899 -2.718327      3.102226  
1 1 1 -12 -2  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 -2  9  o 74.122  7.1630 278.445  51.753  287.627  89.551  273.841  63.415  73.354  12.836 72.958  8.9967 0.3955460      15.67498  
1 1 1 -12 -2  10 f 63.449  13.188 220.225  79.895  0.0000   0.0000  220.225  79.895  ?       ?      63.449  13.188 0.000000       13.18776  
1 1 1 -12 -2  11 o 30.699  8.7897 49.643   27.991  49.643   27.991  0.0000   0.0000  30.699  8.7897 ?       ?      0.000000       8.789692  
1 1 1 -12 -2  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 -2  13 o 48.526  6.6254 121.466  30.905  116.367  43.396  126.713  44.023  46.396  9.7842 48.561  9.5250 -2.164467      13.65487  
1 1 1 -12 -1  1  o 164.843 6.6101 1351.85  107.551 1444.08  152.134 1259.71  152.066 169.527 9.1255 158.086 9.7938 11.44077       13.38625  
1 1 1 -12 -1  2  o 63.622  6.0310 202.902  37.421  205.094  52.841  200.697  53.002  63.456  8.6629 62.729  8.8025 0.7272263      12.35030  
1 1 1 -12 -1  3  o 37.195  6.4075 70.736   22.675  86.134   31.954  55.118   32.182  40.801  8.2186 32.765  9.4375 8.036545       12.51449  
1 1 1 -12 -1  4  o 56.815  12.656 170.473  69.155  0.0000   0.0000  170.473  69.155  ?       ?      56.815  12.656 0.000000       12.65610  
1 1 1 -12 -1  5  o 161.705 6.6241 1302.27  105.726 1369.97  149.515 1234.56  149.523 164.913 9.2223 156.342 9.7378 8.571365       13.41181  
1 1 1 -12 -1  6  o 187.090 6.9043 1745.69  127.499 1722.31  180.118 1769.16  180.504 184.560 9.9239 187.112 9.8077 -2.552246      13.95259  
1 1 1 -12 -1  7  o 168.667 6.6996 1419.24  111.536 1344.45  157.478 1494.52  157.994 162.878 9.8416 171.976 9.3427 -9.097473      13.56996  
1 1 1 -12 -1  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 -1  9  o 94.752  6.2066 450.630  57.726  439.601  81.490  461.739  81.784  92.725  9.0179 95.124  8.8105 -2.399757      12.60746  
1 1 1 -12 -1  10 o 84.803  2.0933 355.556  17.521  379.428  25.387  333.841  24.213  87.526  2.9386 82.095  2.9881 5.431137       4.190936  
1 1 1 -12 -1  11 o 70.475  1.2991 245.326  9.0370  235.070  12.513  256.506  13.065  68.956  1.8385 72.032  1.8376 -3.075531      2.599392  
1 1 1 -12 -1  12 o 24.657  2.4128 30.391   5.7969  24.896   8.1198  36.102   8.2787  22.050  3.8721 26.782  3.1948 -4.731836      5.019918  
1 1 1 -12 -1  13 o 37.925  1.6438 71.102   6.1533  74.979   8.6912  67.206   8.7130  38.849  2.2765 36.757  2.4150 2.092140       3.318864  
1 1 1 -12 0   1  f 20.338  6.0528 20.801   13.052  21.127   18.994  20.508   17.965  21.545  7.3975 21.127  7.1952 0.4183025      10.31955  
1 1 1 -12 0   2  o 73.382  5.9963 269.329  43.052  264.291  60.595  274.464  61.178  72.164  8.6814 73.579  8.5852 -1.415146      12.20951  
1 1 1 -12 0   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 0   4  o 200.003 7.0371 1993.92  138.920 2003.22  196.397 1984.61  196.527 199.220 10.020 198.265 10.076 0.9546051      14.20966  
1 1 1 -12 0   5  o 150.537 6.5264 1128.41  96.972  1107.68  137.132 1149.15  137.147 148.152 9.4267 150.972 9.2481 -2.819931      13.20575  
1 1 1 -12 0   6  o 82.163  2.0570 333.474  16.681  362.929  24.496  308.001  22.780  85.675  2.8967 78.924  2.9242 6.750557       4.116038  
1 1 1 -12 0   7  o 161.647 2.2825 1291.17  36.417  1272.13  54.214  1306.82  49.160  160.325 3.4259 162.542 3.0641 -2.217148      4.596314  
1 1 1 -12 0   8  o 109.341 1.7437 590.516  18.818  575.839  28.137  602.396  25.313  107.916 2.6415 110.400 2.3229 -2.484062      3.517618  
1 1 1 -12 0   9  o 193.587 2.5936 1853.54  49.557  1870.22  67.325  1833.80  73.214  194.280 3.5109 192.300 3.8573 1.980026       5.215821  
1 1 1 -12 0   10 o 51.207  6.1640 133.164  30.529  106.550  42.803  160.721  43.555  44.772  9.9445 55.795  8.1490 -11.02284      12.85691  
1 1 1 -12 0   11 o 127.707 1.7957 806.164  22.635  788.478  32.791  822.261  31.284  126.183 2.6328 128.886 2.4591 -2.702988      3.602670  
1 1 1 -12 0   12 o 51.148  1.4617 129.269  7.3793  134.256  10.951  125.120  9.9877  52.089  2.1299 50.293  2.0120 1.796455       2.929920  
1 1 1 -12 0   13 o 101.859 1.6449 512.900  16.538  505.715  23.276  520.226  23.501  101.057 2.3335 102.498 2.3230 -1.441177      3.292589  
1 1 1 -12 0   14 o 93.495  1.7147 432.307  15.824  433.577  25.180  431.478  20.343  93.483  2.7290 93.342  2.2080 0.1414490      3.510350  
1 1 1 -12 1   1  o 380.160 4.9388 7165.71  185.319 7261.21  250.822 7050.91  275.006 381.963 6.6529 376.011 7.4098 5.951508       9.958244  
1 1 1 -12 1   2  o 167.333 2.3218 1383.32  38.347  1422.77  57.029  1350.76  51.809  169.598 3.4068 165.276 3.1759 4.322601       4.657478  
1 1 1 -12 1   3  o 129.207 1.8701 824.484  23.850  781.245  33.620  868.286  33.838  125.725 2.7092 132.552 2.5863 -6.827438      3.745512  
1 1 1 -12 1   4  o 96.851  1.6457 463.185  15.733  449.765  21.895  477.511  22.622  95.411  2.3249 98.310  2.3313 -2.898575      3.292431  
1 1 1 -12 1   5  o 66.447  1.2947 217.976  8.4914  223.045  12.674  213.846  11.439  67.201  1.9107 65.804  1.7611 1.396408       2.598508  
1 1 1 -12 1   6  o 119.415 1.7270 704.225  20.356  710.387  28.925  698.179  28.652  119.896 2.4442 118.861 2.4422 1.034508       3.455228  
1 1 1 -12 1   7  o 253.725 3.1122 3184.59  77.941  3214.92  110.299 3154.35  110.150 254.635 4.3886 252.215 4.4247 2.419846       6.231947  
1 1 1 -12 1   8  o 122.969 1.8235 746.938  22.133  747.962  31.374  745.924  31.228  122.997 2.5843 122.830 2.5757 0.1669159      3.648723  
1 1 1 -12 1   9  o 117.257 1.7074 679.185  19.761  666.758  27.338  692.783  28.596  116.128 2.3850 118.367 2.4476 -2.238976      3.417451  
1 1 1 -12 1   10 o 93.273  1.4645 429.714  13.483  426.917  19.103  432.489  19.031  92.929  2.0827 93.535  2.0614 -0.6061020     2.930347  
1 1 1 -12 1   11 o 66.976  1.8296 221.738  12.095  223.769  12.395  181.316  55.301  67.279  1.8666 58.532  9.9266 8.746876       10.10061  
1 1 1 -12 1   12 o 110.028 1.7009 598.458  18.472  570.525  25.333  630.174  26.994  107.343 2.3910 112.809 2.4243 -5.466713      3.405026  
1 1 1 -12 1   13 o 76.498  1.4244 289.175  10.755  300.169  14.660  276.360  15.827  77.900  1.9066 74.724  2.1459 3.175865       2.870537  
1 1 1 -12 1   14 o 64.696  1.4009 206.851  8.9455  200.742  11.355  216.846  14.524  63.705  1.8058 66.171  2.2237 -2.466808      2.864597  
1 1 1 -12 2   1  o 21.795  1.0891 23.449   2.3430  49.235   23.721  23.195   2.3545  30.811  7.7942 21.648  1.1056 9.162539       7.872233  
1 1 1 -12 2   2  o 99.580  1.5745 489.623  15.475  468.763  21.808  510.781  21.963  97.409  2.2682 101.685 2.1883 -4.275589      3.151712  
1 1 1 -12 2   3  o 136.005 2.0881 913.705  28.032  939.089  38.322  884.490  41.111  137.831 2.8169 133.739 3.1143 4.091202       4.199256  
1 1 1 -12 2   4  o 108.324 1.6716 579.440  17.872  564.481  25.251  594.457  25.300  106.883 2.3935 109.687 2.3368 -2.804329      3.345056  
1 1 1 -12 2   5  o 136.604 2.1805 921.899  29.400  918.051  41.574  925.749  41.582  136.246 3.0915 136.818 3.0792 -0.5711670     4.363305  
1 1 1 -12 2   6  o 31.100  0.9041 47.743   2.7754  47.523   3.5330  48.096   4.4853  31.027  1.1537 31.210  1.4560 -0.1833630     1.857647  
1 1 1 -12 2   7  o 164.686 2.2634 1340.20  36.792  1373.94  50.433  1301.81  53.794  166.657 3.0659 162.186 3.3604 4.471191       4.548816  
1 1 1 -12 2   8  o 163.892 2.3124 1327.57  37.406  1267.44  52.808  1388.12  52.993  160.009 3.3437 167.474 3.2058 -7.465042      4.632226  
1 1 1 -12 2   9  o 106.691 1.6892 562.284  17.788  558.255  24.577  566.716  25.779  106.263 2.3432 107.058 2.4396 -0.7942963     3.382619  
1 1 1 -12 2   10 o 64.140  1.3302 203.171  8.4212  192.030  12.082  213.697  11.744  62.331  1.9638 65.761  1.8093 -3.430042      2.670231  
1 1 1 -12 2   11 o 110.600 1.7742 604.610  19.369  592.293  26.094  619.721  28.903  109.397 2.4166 111.874 2.6175 -2.477203      3.562462  
1 1 1 -12 2   12 o 53.185  1.3305 139.743  6.9843  142.620  9.1479  135.723  10.815  53.711  1.7255 52.375  2.0920 1.336025       2.711808  
1 1 1 -12 2   13 o 101.273 1.6615 507.062  16.609  486.690  24.239  525.091  22.803  99.111  2.4778 102.984 2.2433 -3.872177      3.342402  
1 1 1 -12 2   14 o 90.753  1.6195 407.216  14.507  399.772  20.616  414.517  20.417  89.831  2.3251 91.482  2.2611 -1.651062      3.243278  
1 1 1 -12 3   1  o 186.352 2.7999 1716.59  51.500  1729.69  72.685  1703.38  72.979  186.915 3.9397 185.481 3.9862 1.434158       5.604615  
1 1 1 -12 3   2  o 33.200  1.5898 54.425   5.2096  72.368   32.906  53.964   5.2761  37.247  9.0415 33.058  1.6170 4.188793       9.184946  
1 1 1 -12 3   3  o 59.533  1.3363 174.981  7.8521  164.977  11.149  184.828  11.061  57.794  1.9544 61.175  1.8318 -3.381222      2.678658  
1 1 1 -12 3   4  o 70.517  1.2149 245.491  8.4559  253.253  11.606  236.708  12.345  71.614  1.6419 69.231  1.8066 2.383118       2.441244  
1 1 1 -12 3   5  o 130.616 1.9532 842.703  25.181  815.415  35.254  871.124  35.978  128.427 2.7811 132.744 2.7459 -4.317505      3.908323  
1 1 1 -12 3   6  o 33.936  0.8986 56.847   3.0098  55.134   3.8335  59.601   4.8598  33.419  1.1622 34.743  1.4172 -1.324738      1.832762  
1 1 1 -12 3   7  o 26.026  1.2947 33.443   3.3260  30.083   7.8982  34.167   3.6670  24.426  3.3653 26.267  1.4197 -1.840450      3.652477  
1 1 1 -12 3   8  o 156.834 2.7194 1216.44  42.096  1237.40  67.558  1203.14  53.822  157.926 4.3340 155.868 3.4984 2.057938       5.569788  
1 1 1 -12 3   9  o 205.812 2.8319 2095.95  57.529  2058.81  89.458  2122.15  75.123  203.589 4.4518 206.908 3.6784 -3.319214      5.774857  
1 1 1 -12 3   10 o 107.945 1.7137 575.723  18.259  575.174  25.997  576.257  25.649  107.829 2.4426 107.934 2.4076 -0.1051254     3.429709  
1 1 1 -12 3   11 o 148.566 2.0385 1091.49  29.892  1050.12  43.341  1129.02  41.282  145.549 3.0169 150.971 2.7704 -5.421097      4.095902  
1 1 1 -12 3   12 o 38.365  1.5650 72.742   5.9261  82.617   32.945  72.412   6.0244  39.335  8.7150 38.276  1.5946 1.058502       8.859653  
1 1 1 -12 3   13 f 74.909  1.5345 277.358  11.346  282.158  16.517  273.072  15.611  75.491  2.2167 74.274  2.1294 1.216164       3.073807  
1 1 1 -12 3   14 o 31.507  1.3988 49.061   4.3500  49.870   9.3641  48.838   4.9121  31.540  3.0459 31.389  1.5907 0.1504097      3.436239  
1 1 1 -12 4   1  o 13.143  1.1375 8.5912   1.4611  1.5440   7.5154  8.8681   1.4896  10.664  4.4021 13.354  1.1410 -2.690555      4.547612  
1 1 1 -12 4   2  o 35.888  1.0961 63.580   3.8827  75.979   5.4168  50.479   5.5681  39.229  1.3990 31.922  1.7742 7.307028       2.259421  
1 1 1 -12 4   3  o 137.468 6.4100 941.175  86.975  984.132  123.299 898.631  122.705 139.686 8.9906 133.326 9.3841 6.359711       12.99586  
1 1 1 -12 4   4  o 300.154 3.8108 4460.97  112.899 4454.41  153.687 4468.67  166.397 299.506 5.1987 299.829 5.6226 -0.3226929     7.657717  
1 1 1 -12 4   5  o 97.501  1.5638 469.431  15.050  469.029  21.376  469.826  21.192  97.430  2.2228 97.514  2.2018 -0.8390808E-01 3.128667  
1 1 1 -12 4   6  o 69.096  1.3939 235.731  9.5065  235.287  13.604  236.155  13.290  69.013  1.9970 69.142  1.9474 -0.1289139     2.789390  
1 1 1 -12 4   7  o 64.059  1.4513 202.635  9.1764  182.102  12.891  223.729  13.066  60.707  2.1513 67.295  1.9670 -6.588451      2.915046  
1 1 1 -12 4   8  o 169.872 2.4492 1426.64  41.066  1467.78  58.737  1387.30  57.438  172.154 3.4567 167.364 3.4770 4.789825       4.902895  
1 1 1 -12 4   9  o 26.777  0.9883 35.397   2.6120  38.580   3.7625  32.437   3.6290  27.951  1.3638 25.587  1.4428 2.363533       1.985337  
1 1 1 -12 4   10 o 54.265  1.3685 145.438  7.3302  146.567  10.790  144.471  9.9888  54.451  2.0077 54.067  1.8718 0.3849487      2.744875  
1 1 1 -12 4   11 o 80.686  1.4555 321.631  11.591  329.124  16.187  313.745  16.607  81.582  2.0102 79.644  2.1125 1.937149       2.916074  
1 1 1 -12 4   12 o 74.400  1.5267 273.562  11.212  279.936  16.172  267.663  15.557  75.207  2.1786 73.543  2.1431 1.663696       3.056046  
1 1 1 -12 4   13 o 35.711  7.2271 67.315   24.600  65.368   34.691  69.283   34.887  34.745  9.7293 35.727  9.6610 -0.9828491     13.71112  
1 1 1 -12 4   14 o 84.163  6.4523 362.219  53.192  344.436  74.269  380.948  76.219  80.436  9.5406 84.811  9.2552 -4.375366      13.29214  
1 1 1 -12 5   1  o 46.924  1.3003 108.707  6.0223  104.603  9.9648  111.068  7.5590  46.014  2.1941 47.426  1.6148 -1.412483      2.724228  
1 1 1 -12 5   2  o 113.205 1.6544 632.859  18.485  629.098  25.600  636.956  26.721  112.835 2.2986 113.533 2.3845 -0.6973495     3.311986  
1 1 1 -12 5   3  o 164.520 2.2791 1337.43  37.010  1300.19  52.117  1375.30  52.565  162.112 3.2571 166.737 3.1940 -4.624725      4.561837  
1 1 1 -12 5   4  o 197.506 3.4467 1930.64  67.191  1974.18  72.022  1638.32  186.613 199.686 3.6541 179.517 10.579 20.16820       11.19187  
1 1 1 -12 5   5  o 60.666  1.4120 181.723  8.4551  172.298  11.347  193.490  12.678  59.059  1.9465 62.582  2.0525 -3.523277      2.828696  
1 1 1 -12 5   6  o 133.803 2.0261 884.508  26.759  848.540  37.947  920.084  37.740  130.977 2.9353 136.400 2.8032 -5.423447      4.058786  
1 1 1 -12 5   7  o 194.298 2.9079 1867.54  55.767  1832.97  78.629  1902.53  79.106  192.256 4.1435 195.882 4.0915 -3.625717      5.823150  
1 1 1 -12 5   8  o 115.802 1.7445 662.435  19.940  674.152  28.030  650.432  28.371  116.769 2.4320 114.690 2.5062 2.079132       3.492226  
1 1 1 -12 5   9  o 44.144  1.4059 96.238   6.1258  94.453   10.696  97.109   7.4727  43.629  2.4941 44.336  1.7076 -0.7070122     3.022710  
1 1 1 -12 5   10 o 13.375  2.2369 9.0856   2.8487  7.9050   3.0401  17.587   8.1580  12.411  2.5664 18.435  4.5185 -6.023542      5.196483  
1 1 1 -12 5   11 o 66.168  6.2709 222.321  40.467  197.630  56.993  247.425  57.467  61.137  9.7738 69.015  8.6244 -7.878517      13.03488  
1 1 1 -12 5   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 5   13 o 58.791  3.3028 172.427  19.088  211.330  54.373  166.959  20.386  63.139  8.9776 57.791  3.5915 5.347603       9.669364  
1 1 1 -12 5   14 o 80.035  1.7130 316.837  13.532  325.928  19.439  308.290  18.850  81.083  2.4289 78.860  2.4217 2.223419       3.429914  
1 1 1 -12 5   15 o 19.475  6.9931 16.956   17.108  2.0692   24.010  32.306   24.381  18.043  7.6826 25.231  8.3813 -7.188200      11.36961  
1 1 1 -12 6   1  o 35.425  1.1289 61.952   3.9473  55.139   5.5975  68.691   5.5672  33.370  1.7051 37.298  1.5122 -3.927292      2.279091  
1 1 1 -12 6   2  o 146.928 2.3545 1066.83  34.146  1049.31  48.283  1084.36  48.297  145.617 3.3593 148.035 3.3054 -2.418091      4.712813  
1 1 1 -12 6   3  o 59.286  1.2775 173.536  7.4758  172.768  10.716  174.264  10.434  59.143  1.8357 59.399  1.7797 -0.2569389     2.556789  
1 1 1 -12 6   4  o 112.777 1.8631 628.238  20.740  625.305  29.690  631.033  28.983  112.461 2.6747 112.980 2.5990 -0.5196304     3.729479  
1 1 1 -12 6   5  o 108.154 1.8089 577.777  19.311  581.051  27.680  574.672  26.953  108.411 2.5868 107.818 2.5327 0.5927658      3.620243  
1 1 1 -12 6   6  o 27.185  0.9977 36.481   2.6772  28.462   3.8078  44.320   3.7647  23.951  1.6202 29.961  1.2731 -6.009235      2.060541  
1 1 1 -12 6   7  o 88.836  1.5234 389.752  13.358  381.632  19.180  397.400  18.615  87.872  2.2113 89.676  2.1031 -1.803200      3.051723  
1 1 1 -12 6   8  o 175.719 3.1220 1528.78  54.149  1472.18  76.296  1586.21  76.863  172.140 4.4904 178.717 4.3573 -6.577209      6.257013  
1 1 1 -12 6   9  o 46.673  6.5265 111.254  29.243  100.125  41.454  122.279  41.260  43.425  9.8924 48.327  8.9803 -4.902584      13.36059  
1 1 1 -12 6   10 o 125.659 6.5007 796.270  80.352  795.664  113.407 796.881  113.865 124.233 9.3163 124.310 9.3485 -0.7735443E-01 13.19806  
1 1 1 -12 6   11 o 83.484  3.2310 345.935  26.624  394.571  76.329  339.198  28.408  87.090  9.0097 82.629  3.4832 4.461067       9.659616  
1 1 1 -12 6   12 o 37.753  1.5303 70.449   5.7025  71.307   6.3077  66.612   13.342  37.976  1.6828 36.379  3.7704 1.597176       4.128868  
1 1 1 -12 6   13 o 65.392  1.5989 211.438  10.320  215.143  16.462  209.038  13.246  65.869  2.5320 64.979  2.0654 0.8895950      3.267524  
1 1 1 -12 6   14 f 44.157  1.7318 96.458   7.5480  72.661   41.420  97.276   7.6766  36.272  10.780 44.342  1.7540 -8.069870      10.92166  
1 1 1 -12 6   15 o 63.948  1.5726 202.274  9.9259  200.554  12.370  205.385  16.634  63.635  1.9694 64.309  2.6206 -0.6740990     3.278069  
1 1 1 -12 7   1  f 67.759  1.3006 226.687  8.6987  221.535  12.087  232.223  12.529  66.971  1.8284 68.567  1.8513 -1.595894      2.601992  
1 1 1 -12 7   2  o 81.176  1.5511 325.404  12.428  325.423  17.800  325.386  17.360  81.152  2.2222 81.150  2.1674 0.2143860E-02  3.104145  
1 1 1 -12 7   3  o 85.270  1.5184 359.053  12.780  331.813  17.822  387.888  18.336  81.944  2.2034 88.603  2.0966 -6.659340      3.041546  
1 1 1 -12 7   4  o 90.154  1.7049 401.434  15.171  384.742  18.645  434.132  26.096  88.240  2.1408 93.689  2.8220 -5.449783      3.542100  
1 1 1 -12 7   5  o 88.977  2.2241 391.266  19.533  0.0000   0.0000  391.266  19.533  ?       ?      88.977  2.2241 0.000000       2.224052  
1 1 1 -12 7   6  o 92.071  6.4305 425.534  58.072  437.401  81.907  413.539  82.346  92.594  9.0789 89.898  9.4201 2.695602       13.08297  
1 1 1 -12 7   7  o 50.589  6.8311 130.415  33.238  130.116  47.067  130.713  46.943  49.743  9.9340 49.873  9.8856 -0.1293716     14.01458  
1 1 1 -12 7   8  o 48.596  6.8494 120.715  31.942  108.553  44.147  134.077  46.275  45.232  10.139 50.517  9.6322 -5.284538      13.98496  
1 1 1 -12 7   9  o 72.708  2.5528 261.601  18.320  269.812  27.206  254.788  24.782  73.630  3.7560 71.669  3.5032 1.960739       5.136123  
1 1 1 -12 7   10 o 64.252  1.3060 203.913  8.2823  203.862  10.975  203.981  12.623  64.224  1.7313 64.227  1.9912 -0.3479004E-02 2.638635  
1 1 1 -12 7   11 o 47.921  1.1891 113.427  5.6246  114.822  8.0010  112.064  7.9086  48.194  1.6820 47.612  1.6829 0.5823593      2.379298  
1 1 1 -12 7   12 o 57.257  1.3157 161.993  7.4356  175.046  10.386  148.268  10.650  59.490  1.7688 54.737  1.9712 4.753498       2.648454  
1 1 1 -12 7   13 o 4.7418  2.0241 -0.0562  1.6741  -0.0458  1.6962  -0.4471  10.421  4.7805  2.0389 11.702  5.0239 -6.921590      5.421821  
1 1 1 -12 7   14 o 23.930  1.2461 28.375   2.9332  29.052   3.0269  17.934   11.883  24.213  1.2710 18.791  5.8136 5.422279       5.950949  
1 1 1 -12 7   15 o 102.586 6.6142 543.296  66.616  515.484  94.326  570.970  94.092  97.271  9.9652 102.966 9.3605 -5.695000      13.67203  
1 1 1 -12 8   1  o 60.728  1.2806 182.085  7.6759  170.931  10.754  193.667  10.959  58.824  1.8522 62.617  1.7732 -3.792473      2.564153  
1 1 1 -12 8   2  o 89.383  2.4051 394.922  21.219  389.841  30.735  399.548  29.331  88.727  3.5095 89.842  3.3076 -1.114845      4.822537  
1 1 1 -12 8   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 8   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 8   5  o 135.244 6.4983 914.442  86.746  902.841  122.805 925.995  122.551 133.147 9.4049 134.915 9.2589 -1.767624      13.19771  
1 1 1 -12 8   6  o 48.032  7.1068 118.104  32.676  114.622  47.566  121.215  44.964  46.472  10.604 47.993  9.8228 -1.521206      14.45443  
1 1 1 -12 8   7  o 28.445  1.2019 39.952   3.3744  47.787   4.8282  32.471   4.7180  31.064  1.5799 25.565  1.8829 5.498196       2.457970  
1 1 1 -12 8   8  o 29.566  1.5602 43.303   4.5371  43.102   12.475  43.333   4.8706  29.105  4.4868 29.568  1.6758 -0.4629498     4.789526  
1 1 1 -12 8   9  o 24.566  3.6079 30.589   8.4876  27.052   12.597  33.531   11.487  22.801  5.6305 25.538  4.7311 -2.736670      7.354371  
1 1 1 -12 8   10 o 98.194  1.7248 476.625  16.717  471.676  23.331  481.846  23.965  97.606  2.4217 98.648  2.4613 -1.041527      3.452898  
1 1 1 -12 8   11 o 88.499  1.8146 387.354  15.851  397.590  22.653  377.535  22.187  89.565  2.5624 87.275  2.5756 2.289978       3.633115  
1 1 1 -12 8   12 o 102.939 1.7465 524.170  17.745  546.643  24.864  500.841  25.334  105.015 2.3987 100.490 2.5541 4.524986       3.503939  
1 1 1 -12 8   13 o 26.569  1.4983 35.015   3.9131  34.995   4.1193  35.207   12.527  26.554  1.5788 26.010  5.0617 0.5444832      5.302148  
1 1 1 -12 8   14 o 23.216  1.0774 26.628   2.4688  28.003   3.4684  25.217   3.5150  23.750  1.4870 22.523  1.5914 1.227608       2.178027  
1 1 1 -12 8   15 o 27.602  7.8878 41.136   22.563  30.650   30.790  53.298   33.160  25.561  9.3522 31.187  9.7220 -5.625750      13.49004  
1 1 1 -12 9   1  o 36.765  7.3498 70.087   25.739  60.097   35.913  80.638   36.908  34.071  10.015 39.133  9.6225 -5.061356      13.88858  
1 1 1 -12 9   2  o 72.062  6.3796 261.380  44.907  250.135  63.345  272.741  63.673  69.675  9.4552 72.931  9.0389 -3.256363      13.08058  
1 1 1 -12 9   3  o 59.875  6.6531 181.472  38.654  164.109  54.059  199.636  55.292  55.983  10.157 62.143  9.3003 -6.159195      13.77188  
1 1 1 -12 9   4  o 28.579  1.1455 40.325   3.2311  33.979   4.6289  46.355   4.5124  26.164  1.8034 30.637  1.4922 -4.472778      2.340757  
1 1 1 -12 9   5  o 137.778 2.1210 938.272  28.844  931.318  42.080  944.436  39.616  137.146 3.1085 138.138 2.9055 -0.9911194     4.255000  
1 1 1 -12 9   6  o 97.598  1.5785 470.525  15.206  472.414  21.392  468.596  21.619  97.751  2.2172 97.353  2.2498 0.3983841      3.158735  
1 1 1 -12 9   7  o 55.275  6.8754 155.843  36.701  157.679  53.316  154.189  50.597  54.593  10.271 54.110  9.8358 0.4828491      14.22115  
1 1 1 -12 9   8  o 69.749  1.6008 240.367  11.021  255.192  17.489  230.603  14.193  71.811  2.4674 68.289  2.1057 3.521881       3.243763  
1 1 1 -12 9   9  o 50.968  2.0443 128.480  10.284  127.647  14.991  129.219  14.134  50.650  3.0123 50.987  2.8195 -0.3378067     4.125956  
1 1 1 -12 9   10 o 24.112  0.9399 28.708   2.2370  30.890   3.9783  27.699   2.7052  24.946  1.6246 23.681  1.1573 1.264353       1.994673  
1 1 1 -12 9   11 o 51.133  1.5481 129.259  7.8131  124.837  14.854  130.950  9.1866  50.040  3.0216 51.450  1.8090 -1.410240      3.521728  
1 1 1 -12 9   12 o 23.182  0.8946 26.539   2.0470  25.594   3.5922  26.994   2.4910  22.691  1.6144 23.376  1.0796 -0.6850319     1.942118  
1 1 1 -12 9   13 o 93.043  1.8432 428.534  16.927  436.151  24.118  421.139  23.763  93.724  2.6071 92.095  2.6142 1.628693       3.691960  
1 1 1 -12 9   14 o 23.137  1.3567 26.557   3.0847  25.243   13.002  26.635   3.1754  21.875  5.8906 23.168  1.3951 -1.292753      6.053550  
1 1 1 -12 10  1  o 67.132  1.4508 222.568  9.6132  215.287  14.910  227.748  12.576  65.991  2.2891 67.893  1.8767 -1.902031      2.960051  
1 1 1 -12 10  2  o 177.174 2.5158 1552.50  43.996  1535.29  63.074  1568.80  61.398  175.987 3.6311 177.926 3.4961 -1.938629      5.040566  
1 1 1 -12 10  3  o 163.267 2.2756 1317.90  36.671  1334.46  52.130  1301.69  51.596  164.142 3.2176 162.113 3.2245 2.029358       4.555285  
1 1 1 -12 10  4  o 101.102 1.8007 505.050  17.970  508.173  25.693  502.060  25.142  101.353 2.5683 100.745 2.5284 0.6077576      3.604047  
1 1 1 -12 10  5  o 86.443  1.5447 369.115  13.180  373.217  18.642  365.015  18.636  86.883  2.1738 85.921  2.1974 0.9616928      3.091011  
1 1 1 -12 10  6  o 108.252 1.7766 579.082  18.983  596.846  26.713  560.959  26.981  109.833 2.4640 106.469 2.5674 3.364601       3.558527  
1 1 1 -12 10  7  o 116.387 1.8903 669.610  21.715  676.204  30.603  662.924  30.818  116.866 2.6530 115.707 2.6985 1.159637       3.784214  
1 1 1 -12 10  8  o 38.752  3.3551 75.093   12.706  78.297   13.495  50.041   37.731  39.555  3.4923 31.480  10.425 8.075001       10.99426  
1 1 1 -12 10  9  o 67.982  1.4623 228.370  9.8123  233.483  14.125  223.602  13.641  68.693  2.0832 67.226  2.0558 1.466911       2.926797  
1 1 1 -12 10  10 o 21.228  0.7765 22.249   1.6269  20.675   2.3368  23.729   2.2664  20.425  1.1639 21.919  1.0476 -1.493702      1.565943  
1 1 1 -12 10  11 o 25.732  1.4786 32.843   3.7397  32.814   3.8849  33.203   13.806  25.715  1.5376 25.133  5.6968 0.5825577      5.900622  
1 1 1 -12 10  12 o 56.100  1.2961 155.554  7.1771  162.677  10.069  148.198  10.232  57.331  1.7794 54.710  1.8949 2.621395       2.599392  
1 1 1 -12 10  13 o 30.377  3.1597 46.459   9.3352  39.900   13.157  53.107   13.247  27.707  4.9949 32.257  4.2652 -4.550497      6.568172  
1 1 1 -12 10  14 o 27.347  7.8290 40.392   22.208  40.325   31.525  40.459   31.289  27.876  9.5312 27.887  9.4957 -0.1103973E-01 13.45407  
1 1 1 -12 11  1  o 64.490  1.8605 205.523  11.843  221.589  17.226  191.122  16.309  66.922  2.6078 62.148  2.6587 4.773941       3.724117  
1 1 1 -12 11  2  o 31.304  1.1922 48.387   3.6836  46.684   5.2666  50.018   5.1540  30.689  1.7459 31.776  1.6489 -1.087702      2.401491  
1 1 1 -12 11  3  o 106.124 1.8825 556.598  19.718  546.630  28.711  565.498  27.129  105.083 2.7681 106.903 2.5710 -1.820610      3.777879  
1 1 1 -12 11  4  o 37.741  2.5448 70.806   9.4246  63.472   13.513  77.754   13.151  35.537  3.9175 39.451  3.4109 -3.914379      5.194332  
1 1 1 -12 11  5  o 33.899  2.8565 57.319   9.4687  50.653   13.506  63.763   13.279  31.595  4.4544 35.625  3.8368 -4.030638      5.879042  
1 1 1 -12 11  6  o 82.314  1.9242 334.986  15.633  347.458  30.822  330.667  18.140  83.625  3.7341 81.755  2.2479 1.870308       4.358552  
1 1 1 -12 11  7  o 61.242  2.0490 185.518  12.386  176.684  19.756  191.240  15.899  59.557  3.3746 62.137  2.5922 -2.579914      4.255301  
1 1 1 -12 11  8  o 73.412  1.8565 266.528  13.452  270.262  19.365  263.047  18.700  73.843  2.6569 72.858  2.6003 0.9857101      3.717685  
1 1 1 -12 11  9  o 91.061  1.6494 410.005  14.825  435.747  20.975  384.311  20.956  93.798  2.2656 88.068  2.4107 5.730392       3.308262  
1 1 1 -12 11  10 o 73.107  1.6871 264.368  12.174  282.039  19.309  252.708  15.684  75.394  2.5947 71.416  2.2250 3.977112       3.418062  
1 1 1 -12 11  11 o 69.570  1.8504 239.604  12.707  242.156  18.468  237.310  17.510  69.821  2.6798 69.138  2.5659 0.6835556      3.710129  
1 1 1 -12 11  12 o 54.664  6.9392 156.540  36.597  159.598  51.945  153.525  51.569  53.519  10.206 52.390  10.340 1.129116       14.52808  
1 1 1 -12 11  13 o 30.498  8.1636 50.828   25.061  44.638   36.179  56.538   34.747  29.310  10.201 31.994  9.9484 -2.684557      14.24901  
1 1 1 -12 11  14 o 37.451  4.7776 72.111   17.258  74.201   38.920  71.600   19.255  35.987  10.382 37.111  5.4163 -1.123985      11.71029  
1 1 1 -12 12  1  o 109.893 1.8718 596.936  20.303  610.280  28.718  583.602  28.707  111.031 2.6205 108.569 2.6788 2.461510       3.747402  
1 1 1 -12 12  2  o 37.095  2.5906 68.449   9.4256  67.975   13.664  68.879   13.019  36.796  3.8177 37.076  3.6031 -0.2805557     5.249486  
1 1 1 -12 12  3  o 39.736  1.2418 77.983   4.8704  78.936   6.8902  77.032   6.8853  39.964  1.7467 39.478  1.7670 0.4855957      2.484612  
1 1 1 -12 12  4  o 95.895  1.6773 454.468  15.876  443.338  22.447  465.608  22.456  94.643  2.4029 96.997  2.3456 -2.354469      3.357894  
1 1 1 -12 12  5  o 31.519  1.5311 49.090   4.7632  48.459   5.2482  52.040   11.344  31.264  1.7072 32.157  3.6381 -0.8930054     4.018698  
1 1 1 -12 12  6  o 35.520  1.1898 62.316   4.1714  65.484   5.9456  59.244   5.8541  36.397  1.6550 34.618  1.7133 1.779385       2.382063  
1 1 1 -12 12  7  o 141.291 2.2481 988.435  31.351  1010.81  44.177  965.734  44.500  142.661 3.1373 139.417 3.2338 3.244522       4.505548  
1 1 1 -12 12  8  o 50.251  1.1622 124.744  5.7645  129.411  9.3065  121.839  7.3427  51.145  1.8435 49.647  1.4984 1.498219       2.375692  
1 1 1 -12 12  9  o 78.127  2.0614 302.287  15.896  450.167  76.726  295.654  16.249  92.482  8.5005 77.256  2.1309 15.22630       8.763463  
1 1 1 -12 12  10 o 51.812  2.7511 133.780  14.019  128.672  19.745  138.972  19.908  50.540  3.9905 52.568  3.8638 -2.027962      5.554530  
1 1 1 -12 12  11 o 61.662  7.1334 199.491  42.614  213.220  60.073  185.584  60.460  61.997  10.170 57.158  11.117 4.839214       15.06679  
1 1 1 -12 12  12 o 28.690  5.7328 43.416   15.666  72.076   35.867  36.659   17.416  35.766  9.8479 26.139  6.7146 9.626122       11.91918  
1 1 1 -12 12  13 o 77.601  1.5687 298.046  12.016  302.444  16.788  293.426  17.205  78.068  2.1787 76.878  2.2674 1.190262       3.144462  
1 1 1 -12 12  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -12 13  1  o 20.411  5.4230 21.635   11.111  17.355   13.720  29.790   18.940  18.976  6.2864 24.104  7.3182 -5.127888      9.647561  
1 1 1 -12 13  2  o 30.793  0.8310 46.814   2.5257  45.657   3.5876  47.952   3.5565  30.403  1.1955 31.159  1.1564 -0.7556114     1.663259  
1 1 1 -12 13  3  o 46.810  1.4190 108.268  6.5561  114.785  9.2653  101.733  9.2781  48.173  1.9486 45.345  2.0730 2.828205       2.845066  
1 1 1 -12 13  4  o 63.674  1.9783 200.580  12.433  198.941  17.870  202.118  17.310  63.330  2.8588 63.846  2.7468 -0.5160446     3.964558  
1 1 1 -12 13  5  o 35.230  1.4057 61.332   4.8880  71.560   6.9580  51.366   6.8683  38.036  1.8534 32.138  2.1781 5.897652       2.859868  
1 1 1 -12 13  6  o 28.090  1.7720 39.183   4.8878  64.713   13.415  35.275   5.2485  35.821  3.8550 26.621  2.0123 9.199636       4.348604  
1 1 1 -12 13  7  o 114.661 1.8974 650.673  21.473  679.595  31.003  624.006  29.770  117.017 2.6843 112.128 2.6899 4.889198       3.800122  
1 1 1 -12 13  8  o 116.923 6.6495 702.739  76.423  661.917  107.458 744.518  108.710 110.804 9.9308 118.055 9.4075 -7.250992      13.67923  
1 1 1 -12 13  9  o 146.299 6.8198 1103.82  98.480  1168.60  139.828 1040.06  138.722 147.119 9.6833 138.053 10.254 9.065887       14.10336  
1 1 1 -12 13  10 o 38.378  8.1848 80.315   30.059  95.994   43.068  65.425   41.972  40.995  10.574 34.172  10.974 6.823887       15.23955  
1 1 1 -12 13  11 o 16.815  1.1643 14.042   1.9205  22.955   2.6868  4.7311   2.7461  21.510  1.2712 9.6350  2.7513 11.87473       3.030727  
1 1 1 -12 13  12 o 21.426  1.4994 22.828   3.1511  26.219   17.493  22.714   3.2036  22.408  7.0730 21.370  1.5289 1.038435       7.236326  
1 1 1 -12 13  13 o 48.634  2.7831 118.286  13.304  117.015  18.788  119.564  18.842  48.037  3.9989 48.572  3.9647 -0.5344315     5.631182  
1 1 1 -12 14  1  o 58.786  1.2591 170.744  7.3056  169.512  9.4782  172.548  11.467  58.550  1.6401 59.047  1.9675 -0.4971199     2.561414  
1 1 1 -12 14  2  o 25.444  3.5583 32.851   8.6917  28.243   12.495  37.171   12.098  23.212  5.5320 26.847  4.7389 -3.634634      7.284216  
1 1 1 -12 14  3  o 28.932  1.1897 41.354   3.3975  45.587   4.8491  37.273   4.7615  30.319  1.6263 27.393  1.7705 2.926527       2.404088  
1 1 1 -12 14  4  o 80.252  1.4571 318.373  11.542  322.487  16.361  314.297  16.284  80.703  2.0539 79.670  2.0708 1.033585       2.916667  
1 1 1 -12 14  5  o 89.708  1.6305 398.035  14.437  398.539  20.414  397.531  20.422  89.666  2.3065 89.552  2.3104 0.1141434      3.264641  
1 1 1 -12 14  6  o 56.499  7.4047 167.571  40.299  165.948  56.760  169.221  57.227  54.416  10.947 54.973  10.932 -0.5573502     15.47047  
1 1 1 -12 14  7  o 59.539  8.5159 190.054  48.620  185.517  85.211  192.243  59.203  54.407  15.253 58.666  10.615 -4.259441      18.58287  
1 1 1 -12 14  8  o 104.540 6.5511 565.372  67.256  535.709  94.912  595.290  95.317  98.960  9.8477 104.893 9.3030 -5.932838      13.54707  
1 1 1 -12 14  9  o 71.553  1.7440 253.531  12.317  267.667  19.953  244.829  15.656  73.334  2.7565 70.233  2.2584 3.100540       3.563526  
1 1 1 -12 14  10 o 74.202  1.6522 272.607  12.101  272.310  17.587  272.874  16.675  74.027  2.4069 74.130  2.2790 -0.1028519     3.314668  
1 1 1 -12 14  11 o 41.131  2.1208 84.178   8.5805  81.676   8.7094  166.796  50.046  40.503  2.1867 54.494  9.6581 -13.99108      9.902511  
1 1 1 -12 14  12 o 29.982  3.7678 45.877   10.904  52.867   15.795  39.513   15.072  31.782  5.2160 27.217  5.7884 4.564606       7.791781  
1 1 1 -12 14  13 o 48.479  9.3242 134.025  42.997  142.121  76.896  130.342  51.862  45.364  14.876 46.263  11.425 -0.8991394     18.75681  
1 1 1 -12 15  1  o 50.531  1.7975 126.390  8.9652  156.180  48.060  125.316  9.1254  53.471  9.4519 50.312  1.8376 3.158710       9.628887  
1 1 1 -12 15  2  o 41.535  0.9430 85.212   3.8658  87.380   5.4824  83.069   5.4519  42.043  1.3211 40.992  1.3475 1.051445       1.887061  
1 1 1 -12 15  3  o 71.994  6.7863 269.088  47.655  244.131  67.324  294.148  67.464  66.259  10.655 73.639  9.5036 -7.380043      14.27778  
1 1 1 -12 15  4  o 81.637  8.1038 352.991  64.437  357.648  116.893 350.959  77.231  75.090  16.244 80.032  9.9946 -4.941719      19.07230  
1 1 1 -12 15  5  o 41.599  9.7407 96.952   39.290  93.122   71.421  98.614   47.050  39.949  14.295 41.325  11.238 -1.375820      18.18317  
1 1 1 -12 15  6  o 38.553  4.0137 75.401   15.050  70.419   22.420  79.486   20.303  36.479  6.4634 39.186  5.3922 -2.706364      8.417303  
1 1 1 -12 15  7  o 61.341  1.4882 186.171  9.0102  197.757  12.985  175.411  12.513  63.144  2.0834 59.463  2.1320 3.681278       2.980923  
1 1 1 -12 15  8  o 47.391  2.3202 111.562  10.853  125.058  16.072  100.250  14.715  49.910  3.2808 44.643  3.3641 5.266964       4.699025  
1 1 1 -12 15  9  o 21.811  1.3939 23.631   2.9852  28.662   4.3035  18.964   4.1444  23.979  1.8321 19.421  2.2009 4.558081       2.863654  
1 1 1 -12 15  10 o 39.336  0.9381 76.453   3.6423  74.888   5.1519  78.017   5.1502  38.908  1.3415 39.714  1.3138 -0.8065681     1.877730  
1 1 1 -12 15  11 o 25.548  4.5572 34.070   11.070  33.616   16.314  34.457   15.071  24.897  6.5503 25.283  6.1076 -0.3862743     8.955941  
1 1 1 -12 15  12 o 19.563  1.0314 18.971   1.9845  20.227   2.4393  16.513   3.4126  20.184  1.2303 18.137  1.9361 2.046217       2.293962  
1 1 1 -12 16  1  o 28.819  8.0511 45.410   23.785  34.799   33.977  55.607   33.307  26.801  9.8215 31.612  9.7254 -4.810917      13.82195  
1 1 1 -12 16  2  f 15.112  6.4268 1.4495   16.766  8.6537   23.839  -5.6014  23.584  19.123  7.8610 16.428  7.2907 2.694946       10.72151  
1 1 1 -12 16  3  o 20.267  5.9659 21.535   12.736  15.775   19.798  25.602   16.634  19.653  7.4388 22.127  6.8839 -2.473524      10.13525  
1 1 1 -12 16  4  o 35.533  2.8345 63.301   9.8587  57.212   14.341  68.757   13.575  33.377  4.4651 36.825  3.7888 -3.448315      5.855956  
1 1 1 -12 16  5  o 29.728  3.8274 45.092   10.970  47.808   14.491  41.448   16.789  30.290  5.0228 27.805  6.2673 2.485092       8.031626  
1 1 1 -12 16  6  o 55.370  1.1287 151.551  6.1687  160.242  8.7344  142.903  8.7133  56.894  1.5554 53.718  1.6434 3.175869       2.262705  
1 1 1 -12 16  7  o 72.621  1.7077 261.275  12.241  282.057  19.235  247.132  15.868  75.266  2.5892 70.522  2.2797 4.744095       3.449743  
1 1 1 -12 16  8  f 21.016  5.1735 23.457   10.660  19.811   17.640  25.555   13.379  20.242  7.1187 21.863  6.0124 -1.621399      9.318048  
1 1 1 -12 16  9  o 36.279  3.2711 66.464   11.587  62.484   16.952  69.953   15.875  34.607  5.1171 36.884  4.4504 -2.276642      6.781675  
1 1 1 -12 16  10 o 65.765  1.4686 214.156  9.5329  218.042  11.683  206.413  16.491  66.307  1.7850 64.340  2.5968 1.966888       3.151126  
1 1 1 -12 16  11 o 35.249  3.8383 63.509   13.138  58.380   16.891  71.366   20.906  33.259  5.3249 36.549  6.0035 -3.290417      8.024774  
1 1 1 -12 17  1  o 19.969  1.0941 19.769   2.1482  19.769   2.1482  0.0000   0.0000  19.969  1.0941 ?       ?      0.000000       1.094052  
1 1 1 -12 17  2  o 34.217  0.9585 57.852   3.2373  52.745   5.4685  60.607   4.0167  32.585  1.7062 35.012  1.1623 -2.427570      2.064493  
1 1 1 -12 17  3  o 31.635  6.0799 53.362   18.295  66.499   56.449  51.820   19.339  34.205  12.639 31.009  6.5250 3.196106       14.22399  
1 1 1 -12 17  4  o 42.422  1.0888 88.960   4.5590  89.549   5.7335  87.947   7.5181  42.542  1.3654 42.119  1.8084 0.4227982      2.265973  
1 1 1 -12 17  5  o 40.625  0.9358 81.552   3.7524  87.501   5.3316  75.713   5.2820  42.058  1.2843 39.116  1.3681 2.941723       1.876457  
1 1 1 -12 17  6  o 52.071  1.2599 134.124  6.4752  129.054  7.9439  144.161  11.178  51.044  1.5767 53.874  2.1020 -2.829460      2.627647  
1 1 1 -12 17  7  o 36.648  0.8942 66.362   3.2344  72.833   4.6036  60.055   4.5452  38.373  1.2154 34.838  1.3218 3.535374       1.795688  
1 1 1 -12 17  8  o 46.161  1.3887 105.482  6.3274  106.567  8.9882  104.416  8.9089  46.326  1.9657 45.856  1.9683 0.4703140      2.781752  
1 1 1 -12 17  9  o 63.169  2.5683 199.134  16.014  200.545  20.528  196.940  25.594  63.081  3.3085 62.119  4.1988 0.9620399      5.345711  
1 1 1 -12 18  1  o 57.613  1.4627 164.363  8.3178  168.302  11.690  160.325  11.838  58.208  2.0347 56.797  2.1116 1.410408       2.932342  
1 1 1 -12 18  2  o 19.943  4.7331 21.098   9.1772  28.299   13.851  15.463   12.253  22.881  6.0432 17.635  5.9425 5.245783       8.475430  
1 1 1 -12 18  3  o 28.142  3.6007 40.498   9.7723  41.225   14.620  39.912   13.139  27.799  5.5227 27.505  5.0249 0.2945843      7.466526  
1 1 1 -12 18  4  o 68.569  7.1001 253.072  47.357  251.607  67.061  254.529  66.885  65.045  10.826 65.542  10.709 -0.4968185     15.22752  
1 1 1 -12 18  5  o 23.670  1.0676 27.703   2.4942  23.504   3.0921  35.522   4.2196  21.737  1.4495 26.723  1.6072 -4.985674      2.164330  
1 1 1 -12 18  6  o 33.624  1.3281 55.966   4.4076  59.951   6.2938  52.130   6.1745  34.703  1.8441 32.337  1.9435 2.365486       2.679155  
1 1 1 -12 18  7  o 12.990  1.3965 8.4531   1.7625  9.1784   2.6774  7.8984   2.3414  13.429  2.0877 12.458  1.9696 0.9714050      2.870171  
1 1 1 -11 -19 1  o 35.635  2.0693 63.103   7.2469  57.699   8.5721  76.642   13.568  34.003  2.5731 39.046  3.5596 -5.042244      4.392218  
1 1 1 -11 -18 1  o 88.267  1.5600 385.176  13.591  388.959  18.015  380.179  20.704  88.641  2.0591 87.588  2.3949 1.053307       3.158383  
1 1 1 -11 -18 2  o 86.734  6.3399 384.483  53.900  363.690  76.008  405.516  76.444  82.622  9.4928 87.627  8.9647 -5.004456      13.05671  
1 1 1 -11 -17 1  o 30.576  2.2694 46.542   6.7999  40.509   8.4701  57.480   11.405  28.402  3.0702 33.826  3.4648 -5.423656      4.629410  
1 1 1 -11 -17 2  o 26.697  6.9494 37.650   18.490  27.423   26.534  47.304   25.781  24.438  8.7162 29.817  8.4007 -5.378799      12.10550  
1 1 1 -11 -17 3  o 43.982  1.5582 95.630   6.7643  92.993   8.6482  99.787   10.856  43.345  2.0214 44.802  2.4644 -1.456940      3.187381  
1 1 1 -11 -17 4  f 11.386  3.8731 5.9846   5.2053  4.1945   6.1425  10.545   9.8044  10.887  4.1380 15.239  5.3101 -4.352730      6.732012  
1 1 1 -11 -16 1  o 154.965 2.2073 1188.13  33.762  1160.11  47.102  1217.73  48.419  152.936 3.1203 156.685 3.1308 -3.748856      4.420219  
1 1 1 -11 -16 2  o 24.196  6.6549 30.580   16.390  24.524   23.182  36.633   23.176  23.129  8.1579 26.611  8.0988 -3.482288      11.49530  
1 1 1 -11 -16 3  o 60.438  1.3651 180.485  8.1435  165.299  10.742  201.007  12.487  57.809  1.8826 63.740  1.9848 -5.930832      2.735642  
1 1 1 -11 -16 4  o 78.388  1.3474 303.622  10.425  289.288  13.595  324.083  16.243  76.479  1.8010 80.924  2.0335 -4.444748      2.716430  
1 1 1 -11 -16 5  o 42.598  1.4101 89.685   5.9288  90.650   7.0262  87.300   11.048  42.814  1.6627 41.861  2.6880 0.9526558      3.160672  
1 1 1 -11 -15 1  o 75.179  1.7370 279.275  12.889  285.205  20.266  275.247  16.702  75.907  2.7049 74.603  2.2682 1.304207       3.530048  
1 1 1 -11 -15 2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -15 3  o 110.285 1.7743 601.302  19.314  623.404  23.960  560.286  32.640  112.246 2.1626 106.265 3.1119 5.980934       3.789536  
1 1 1 -11 -15 4  o 68.693  1.3626 233.143  9.2388  223.119  12.247  246.383  14.075  67.169  1.8472 70.569  2.0206 -3.400627      2.737722  
1 1 1 -11 -15 5  o 33.015  1.6889 54.032   5.4853  56.378   6.5970  48.776   9.8740  33.698  1.9923 31.166  3.2580 2.531649       3.818825  
1 1 1 -11 -15 6  o 68.707  1.2157 233.218  8.2444  239.068  10.692  224.635  12.949  69.540  1.5577 67.375  1.9471 2.164513       2.493523  
1 1 1 -11 -14 1  o 113.387 1.6434 635.055  18.392  616.343  25.415  655.630  26.649  111.657 2.3061 115.157 2.3446 -3.500305      3.288599  
1 1 1 -11 -14 2  o 78.646  6.1609 311.447  47.442  276.752  67.077  346.174  67.109  73.089  9.5243 82.272  8.3811 -9.182945      12.68681  
1 1 1 -11 -14 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -14 4  o 90.530  1.5420 404.983  13.779  397.547  16.583  421.563  24.762  89.668  1.8737 92.242  2.7197 -2.574051      3.302655  
1 1 1 -11 -14 5  o 86.872  1.3378 372.838  11.472  377.559  15.230  366.647  17.440  87.387  1.7657 86.087  2.0524 1.299461       2.707450  
1 1 1 -11 -14 6  o 52.481  1.2534 136.059  6.4927  136.258  8.1277  135.707  10.793  52.505  1.5683 52.368  2.0881 0.1368752      2.611500  
1 1 1 -11 -14 7  o 20.432  2.1052 20.884   4.1850  20.230   4.8410  22.820   8.3257  20.049  2.5006 21.020  4.1601 -0.9708195     4.853771  
1 1 1 -11 -13 1  f 162.711 2.0715 1308.10  33.268  1322.03  47.054  1294.17  47.043  163.483 2.9160 161.747 2.9466 1.735565       4.145563  
1 1 1 -11 -13 2  o 67.212  6.0913 227.256  39.971  247.249  56.635  207.414  56.421  69.557  8.4207 63.380  9.2952 6.177254       12.54226  
1 1 1 -11 -13 3  o 75.958  6.1005 290.354  45.352  291.308  64.192  289.403  64.082  75.314  8.8013 75.059  8.8176 0.2543030      12.45841  
1 1 1 -11 -13 4  o 199.273 2.6922 1965.89  52.954  1901.20  74.400  2032.31  75.386  195.646 3.8527 202.305 3.7753 -6.659180      5.394077  
1 1 1 -11 -13 5  o 35.633  1.5599 62.740   5.4863  60.853   6.2454  69.117   11.481  35.039  1.8121 37.196  3.1570 -2.157768      3.640100  
1 1 1 -11 -13 6  o 57.663  1.2124 164.231  6.9006  151.267  8.7806  185.171  11.160  55.323  1.6080 61.195  1.8475 -5.872387      2.449315  
1 1 1 -11 -13 7  o 46.478  1.2091 106.702  5.5469  109.786  6.7582  100.337  9.7099  47.135  1.4526 45.025  2.1849 2.110050       2.623686  
1 1 1 -11 -12 1  o 41.567  11.719 90.521   50.152  90.521   50.152  0.0000   0.0000  41.567  11.719 ?       ?      0.000000       11.71866  
1 1 1 -11 -12 2  o 105.534 2.9406 550.884  30.631  551.952  90.607  550.746  32.547  104.340 8.8824 105.506 3.1254 -1.165550      9.416188  
1 1 1 -11 -12 3  o 107.901 6.2465 583.076  66.242  581.432  93.731  584.716  93.631  106.932 8.9632 107.250 8.9259 -0.3171768     12.64956  
1 1 1 -11 -12 4  o 96.110  1.5187 456.238  14.407  445.869  17.411  478.758  25.659  94.992  1.8570 98.372  2.6426 -3.380051      3.229828  
1 1 1 -11 -12 5  o 202.894 2.8061 2038.43  56.196  2099.30  70.305  1930.73  93.516  205.721 3.4624 196.822 4.8137 8.898819       5.929549  
1 1 1 -11 -12 6  o 113.604 1.5277 637.683  17.131  626.143  23.868  649.943  24.601  112.507 2.1494 114.622 2.1745 -2.115135      3.057476  
1 1 1 -11 -12 7  o 70.001  1.2275 242.036  8.4815  222.746  10.905  271.574  13.494  67.132  1.6457 74.111  1.8447 -6.979370      2.472091  
1 1 1 -11 -12 8  o 43.926  1.0998 95.291   4.7684  98.612   5.8701  88.849   8.1761  44.677  1.3312 42.382  1.9545 2.295143       2.364742  
1 1 1 -11 -11 1  o 204.457 2.9100 2066.82  58.727  2004.80  79.201  2142.57  87.525  201.204 3.9881 207.952 4.2642 -6.747284      5.838476  
1 1 1 -11 -11 2  o 174.662 3.3974 1509.56  58.570  1509.56  58.570  0.0000   0.0000  174.662 3.3974 ?       ?      0.000000       3.397364  
1 1 1 -11 -11 3  o 90.911  8.8096 419.507  78.059  419.507  78.059  0.0000   0.0000  90.911  8.8096 ?       ?      0.000000       8.809628  
1 1 1 -11 -11 4  o 79.396  6.1607 316.359  47.901  324.542  67.910  308.255  67.577  79.758  8.7712 77.646  8.9833 2.112206       12.55527  
1 1 1 -11 -11 5  o 137.999 1.9057 941.041  25.957  909.023  36.657  973.240  36.761  135.539 2.7401 140.256 2.6554 -4.717087      3.815639  
1 1 1 -11 -11 6  o 43.112  1.2021 91.783   5.1152  100.302  7.4929  84.347   7.0003  45.055  1.6849 41.315  1.7166 3.739464       2.405343  
1 1 1 -11 -11 7  o 156.729 2.0011 1214.72  30.957  1217.02  43.768  1212.43  43.792  156.718 2.8295 156.421 2.8364 0.2974243      4.006365  
1 1 1 -11 -11 8  o 116.626 1.5414 672.139  17.744  668.204  24.932  676.177  25.257  116.210 2.1736 116.899 2.1890 -0.6891098     3.084854  
1 1 1 -11 -11 9  o 122.519 1.9501 742.509  23.582  750.057  29.024  727.848  40.453  123.070 2.3893 121.026 3.3864 2.043961       4.144472  
1 1 1 -11 -10 1  o 170.619 2.1212 1437.99  35.723  1446.74  50.368  1429.13  50.674  171.061 2.9831 170.014 3.0198 1.047760       4.244735  
1 1 1 -11 -10 2  o 136.452 1.8221 919.532  24.540  946.448  34.940  893.328  34.476  138.387 2.5580 134.445 2.5980 3.942581       3.645892  
1 1 1 -11 -10 3  o 108.399 3.0122 581.086  32.228  0.0000   0.0000  581.086  32.228  ?       ?      108.399 3.0122 0.000000       3.012190  
1 1 1 -11 -10 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -10 5  o 54.935  8.9788 156.103  47.003  156.103  47.003  0.0000   0.0000  54.935  8.9788 ?       ?      0.000000       8.978769  
1 1 1 -11 -10 6  o 63.206  1.1488 197.253  7.1671  197.161  10.043  197.349  10.231  63.177  1.6105 63.206  1.6400 -0.2911377E-01 2.298543  
1 1 1 -11 -10 7  o 129.514 1.7006 828.868  21.740  809.937  30.755  847.773  30.734  127.941 2.4354 130.903 2.3787 -2.962029      3.404304  
1 1 1 -11 -10 8  o 44.292  1.1734 96.885   5.1299  98.938   7.2199  94.792   7.2901  44.744  1.6348 43.794  1.6865 0.9494705      2.348782  
1 1 1 -11 -10 9  o 60.085  1.1372 178.297  6.7446  175.744  9.1144  181.387  10.027  59.635  1.5484 60.578  1.6770 -0.9430733     2.282547  
1 1 1 -11 -10 10 o 91.764  1.3084 416.012  11.851  415.911  16.435  416.121  17.105  91.708  1.8157 91.724  1.8893 -0.1551819E-01 2.620311  
1 1 1 -11 -9  1  o 98.614  1.4802 480.138  14.408  468.797  21.150  489.959  19.681  97.418  2.1995 99.600  2.0020 -2.182495      2.974195  
1 1 1 -11 -9  2  o 234.315 3.1530 2714.95  72.921  2691.90  103.062 2738.06  103.189 233.084 4.4797 235.081 4.4471 -1.996735      6.312307  
1 1 1 -11 -9  3  o 56.400  1.1360 157.027  6.3239  146.717  8.6085  169.113  9.3206  54.510  1.6000 58.522  1.6136 -4.012276      2.272369  
1 1 1 -11 -9  4  o 33.455  6.3257 57.530   20.123  65.174   28.703  50.142   28.220  35.369  8.3549 31.182  8.7904 4.187185       12.12744  
1 1 1 -11 -9  5  o 118.263 9.0160 708.215  104.451 0.0000   0.0000  708.215  104.451 ?       ?      118.263 9.0160 0.000000       9.016020  
1 1 1 -11 -9  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -9  7  o 139.974 2.0998 968.515  29.010  980.630  35.371  943.615  50.707  140.793 2.5452 137.923 3.7248 2.870468       4.511361  
1 1 1 -11 -9  8  o 9.7860  2.9836 4.7562   3.1434  3.8859   3.8492  6.4985   5.4464  9.4552  3.3253 11.811  3.9620 -2.355515      5.172591  
1 1 1 -11 -9  9  o 53.773  1.1679 142.804  6.1985  139.286  8.2653  147.327  9.3704  53.091  1.5773 54.595  1.7389 -1.503300      2.347673  
1 1 1 -11 -9  10 f 129.322 1.8361 826.919  23.438  842.713  33.103  811.044  33.189  130.434 2.5712 127.949 2.6280 2.484802       3.676614  
1 1 1 -11 -8  1  o 124.177 1.9457 761.541  23.848  797.016  29.794  698.285  39.784  127.015 2.3765 118.823 3.3922 8.191544       4.141815  
1 1 1 -11 -8  2  o 81.355  1.3509 326.757  10.848  311.980  16.012  339.295  14.748  79.477  2.0411 82.890  1.8026 -3.413414      2.723153  
1 1 1 -11 -8  3  o 194.532 2.6265 1870.15  50.432  1889.31  71.379  1851.06  71.265  195.396 3.7010 193.403 3.7332 1.992798       5.256853  
1 1 1 -11 -8  4  o 104.719 2.0602 541.675  21.294  566.329  90.384  540.227  21.911  105.945 8.7207 104.576 2.1227 1.368462       8.975373  
1 1 1 -11 -8  5  f 115.261 2.8754 656.875  32.713  623.311  98.401  661.045  34.686  111.004 9.0601 115.614 3.0395 -4.609215      9.556359  
1 1 1 -11 -8  6  o 57.488  8.9915 170.242  49.349  0.0000   0.0000  170.242  49.349  ?       ?      57.488  8.9915 0.000000       8.991467  
1 1 1 -11 -8  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -8  8  o 117.107 9.1170 702.587  104.552 702.587  104.552 0.0000   0.0000  117.107 9.1170 ?       ?      0.000000       9.117010  
1 1 1 -11 -8  9  o 90.485  1.4541 404.473  12.987  400.372  16.362  411.455  21.352  89.997  1.8419 91.186  2.3723 -1.188751      3.003414  
1 1 1 -11 -8  10 o 84.652  1.2663 353.952  10.581  361.218  15.106  346.952  14.825  85.481  1.7904 83.775  1.7929 1.705200       2.533711  
1 1 1 -11 -8  11 o 60.217  1.1760 179.097  6.9897  190.302  9.7442  167.220  10.032  62.052  1.5910 58.158  1.7476 3.893398       2.363298  
1 1 1 -11 -7  1  o 49.515  1.0839 121.021  5.2974  121.898  7.2670  120.027  7.7386  49.689  1.4817 49.305  1.5901 0.3841934      2.173482  
1 1 1 -11 -7  2  o 206.993 2.8091 2117.62  57.394  2202.67  71.957  1968.90  95.152  211.031 3.4546 199.308 4.8368 11.72206       5.943816  
1 1 1 -11 -7  3  o 72.652  1.2368 260.573  8.8691  258.602  12.526  262.555  12.560  72.367  1.7536 72.918  1.7451 -0.5511627     2.473971  
1 1 1 -11 -7  4  o 81.294  1.2563 326.254  10.081  324.176  14.218  328.355  14.294  81.022  1.7779 81.543  1.7760 -0.5206985     2.512978  
1 1 1 -11 -7  5  o 135.932 6.3887 919.769  85.718  918.915  121.153 920.624  121.293 134.971 9.1482 135.097 9.1501 -0.1254120     12.93884  
1 1 1 -11 -7  6  o 26.683  1.3747 35.245   3.6083  39.588   5.0884  30.853   5.1176  28.252  1.8347 24.902  2.1017 3.349792       2.789862  
1 1 1 -11 -7  7  o 35.678  2.0922 63.113   7.3355  77.424   10.717  50.498   10.062  39.470  2.7683 31.777  3.2540 7.693335       4.272226  
1 1 1 -11 -7  8  o 81.774  8.8081 342.261  69.972  0.0000   0.0000  342.261  69.972  ?       ?      81.774  8.8081 0.000000       8.808061  
1 1 1 -11 -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -7  10 o 96.903  6.1707 474.012  58.713  480.895  83.022  467.126  83.043  96.506  8.8130 95.035  8.9586 1.471161       12.56683  
1 1 1 -11 -7  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 -7  12 o 34.004  1.3299 57.126   4.4635  57.251   5.4294  56.866   7.8397  34.032  1.6163 33.805  2.3644 0.2270851      2.864085  
1 1 1 -11 -6  1  o 58.979  1.1457 171.711  6.6697  174.149  9.3938  169.233  9.4713  59.390  1.6025 58.545  1.6390 0.8449059      2.292260  
1 1 1 -11 -6  2  o 161.201 2.1116 1283.46  33.598  1271.90  48.106  1294.47  46.944  160.404 3.0384 161.830 2.9389 -1.425323      4.227211  
1 1 1 -11 -6  3  o 61.430  1.1367 186.281  6.8921  184.977  9.6294  187.652  9.8687  61.208  1.5939 61.648  1.6218 -0.4405708     2.273957  
1 1 1 -11 -6  4  o 123.614 1.7490 754.553  21.339  731.527  31.627  773.795  28.912  121.668 2.6336 125.151 2.3405 -3.483055      3.523357  
1 1 1 -11 -6  5  o 127.179 1.7151 798.709  21.529  767.232  30.325  830.699  30.571  124.608 2.4656 129.665 2.3886 -5.056389      3.432897  
1 1 1 -11 -6  6  o 54.118  5.9862 147.403  31.441  154.587  44.560  140.281  44.368  54.925  8.4935 52.167  8.9383 2.758694       12.33011  
1 1 1 -11 -6  7  o 10.389  2.9709 5.4621   3.1997  7.0256   4.5922  3.9868   4.4608  11.885  3.6024 9.8724  3.5677 2.012948       5.070063  
1 1 1 -11 -6  8  o 179.684 2.2636 1595.82  40.146  1645.26  56.983  1547.10  56.570  182.313 3.1666 176.779 3.2421 5.534561       4.531940  
1 1 1 -11 -6  9  o 82.572  1.2609 336.689  10.277  345.024  14.685  328.690  14.386  83.564  1.7804 81.561  1.7870 2.002266       2.522561  
1 1 1 -11 -6  10 o 50.343  1.1583 125.156  5.7557  118.446  7.5587  134.416  8.8794  48.963  1.5640 52.153  1.7249 -3.190155      2.328442  
1 1 1 -11 -6  11 o 57.413  1.4187 162.846  8.0397  151.238  15.512  167.109  9.4009  55.167  2.8585 58.150  1.6379 -2.982018      3.294514  
1 1 1 -11 -6  12 o 25.581  4.5987 33.646   11.185  26.436   24.228  35.598   12.609  23.859  8.3455 26.242  5.0511 -2.383316      9.755062  
1 1 1 -11 -5  1  o 79.536  1.2522 312.285  9.8308  320.751  13.974  303.988  13.833  80.597  1.7565 78.462  1.7862 2.135025       2.505168  
1 1 1 -11 -5  2  o 307.886 3.6425 4689.13  110.695 4525.12  156.438 4853.59  156.654 302.077 5.2468 312.897 5.0723 -10.82053      7.297731  
1 1 1 -11 -5  3  o 138.348 1.8299 945.178  24.988  928.895  35.318  961.497  35.359  137.109 2.6098 139.497 2.5680 -2.388092      3.661363  
1 1 1 -11 -5  4  o 28.135  1.4799 39.189   4.0953  37.410   5.5605  41.298   6.0541  27.444  2.0680 28.836  2.1424 -1.392096      2.977624  
1 1 1 -11 -5  5  o 124.533 1.6746 765.785  20.584  747.465  29.068  784.212  29.153  122.999 2.3943 125.989 2.3443 -2.990044      3.350874  
1 1 1 -11 -5  6  o 180.773 2.2688 1614.48  40.481  1617.21  57.324  1611.75  57.175  180.829 3.2117 180.524 3.2088 0.3053894      4.539952  
1 1 1 -11 -5  7  o 73.948  1.6697 270.043  12.187  269.167  12.425  292.262  62.570  73.827  1.7051 75.881  8.5001 -2.053886      8.669436  
1 1 1 -11 -5  8  o 98.573  1.4645 479.812  14.249  466.322  20.104  493.426  20.198  97.149  2.0966 99.935  2.0476 -2.786095      2.930637  
1 1 1 -11 -5  9  o 31.168  1.2969 47.970   3.9897  50.294   6.1404  46.272   5.2485  31.843  1.9633 30.555  1.7476 1.287689       2.628369  
1 1 1 -11 -5  10 o 93.124  1.3339 428.300  12.261  432.085  17.593  424.726  17.097  93.499  1.9063 92.702  1.8685 0.7967987      2.669373  
1 1 1 -11 -5  11 o 113.080 1.6249 631.895  18.136  633.145  25.912  630.695  25.392  113.115 2.3208 112.901 2.2785 0.2135925      3.252390  
1 1 1 -11 -5  12 o 94.258  1.4329 438.961  13.332  435.239  18.655  442.845  19.058  93.807  2.0148 94.621  2.0406 -0.8133774     2.867685  
1 1 1 -11 -5  13 f 73.134  1.2837 264.231  9.2668  258.594  12.931  270.181  13.286  72.314  1.8117 73.915  1.8211 -1.601593      2.568790  
1 1 1 -11 -4  1  o 206.356 2.5422 2103.78  51.780  2128.56  73.284  2079.07  73.172  207.460 3.5788 205.030 3.6157 2.430527       5.087383  
1 1 1 -11 -4  2  o 66.231  1.2211 216.540  7.9824  236.333  11.147  195.703  11.437  69.185  1.6323 62.954  1.8405 6.231358       2.460083  
1 1 1 -11 -4  3  o 238.627 3.1296 2815.13  73.712  2712.08  104.336 2917.82  104.154 233.998 4.5174 242.744 4.3471 -8.746124      6.269288  
1 1 1 -11 -4  4  o 246.873 3.4664 3014.47  84.467  3020.58  113.899 3006.99  125.912 246.901 4.6737 246.232 5.1807 0.6691284      6.977371  
1 1 1 -11 -4  5  o 171.806 2.1778 1458.05  36.930  1451.74  52.216  1464.36  52.239  171.356 3.0872 172.100 3.0752 -0.7443695     4.357541  
1 1 1 -11 -4  6  o 151.509 2.0859 1133.85  31.194  1085.31  46.301  1174.20  42.212  148.146 3.1664 154.129 2.7747 -5.983368      4.210139  
1 1 1 -11 -4  7  o 232.521 2.8748 2673.05  65.979  2678.28  93.380  2667.83  93.237  232.539 4.0684 232.085 4.0701 0.4543304      5.754831  
1 1 1 -11 -4  8  o 154.663 2.1350 1181.86  32.592  1178.38  46.240  1185.30  45.946  154.347 3.0352 154.803 3.0070 -0.4554749     4.272547  
1 1 1 -11 -4  9  o 154.074 2.0352 1173.01  30.951  1196.59  43.539  1148.91  44.007  155.525 2.8362 152.384 2.9258 3.141617       4.074896  
1 1 1 -11 -4  10 o 118.516 1.6142 693.869  18.883  680.402  26.741  707.261  26.667  117.300 2.3096 119.599 2.2590 -2.298042      3.230720  
1 1 1 -11 -4  11 o 121.512 1.6377 729.599  19.642  737.872  27.929  721.504  27.628  122.123 2.3170 120.761 2.3179 1.362267       3.277370  
1 1 1 -11 -4  12 o 119.631 1.7526 707.454  20.695  696.950  29.373  717.810  29.164  118.639 2.5083 120.410 2.4538 -1.770973      3.508992  
1 1 1 -11 -4  13 o 134.842 1.8822 899.175  25.051  897.553  34.584  900.967  36.335  134.595 2.6032 134.825 2.7304 -0.2294312     3.772523  
1 1 1 -11 -3  1  o 117.259 1.7004 678.883  19.680  693.214  26.799  662.108  28.995  118.468 2.2918 115.768 2.5375 2.699440       3.419242  
1 1 1 -11 -3  2  o 77.260  1.3299 294.672  10.141  288.240  14.683  300.539  14.024  76.399  1.9471 78.015  1.8212 -1.616013      2.666099  
1 1 1 -11 -3  3  o 147.872 1.9773 1079.89  28.860  1069.88  40.833  1089.88  40.796  147.134 2.8117 148.505 2.7832 -1.370819      3.956224  
1 1 1 -11 -3  4  o 356.373 5.0079 6296.46  176.155 6169.27  237.282 6452.64  262.929 352.067 6.8282 359.795 7.4037 -7.728241      10.07171  
1 1 1 -11 -3  5  o 243.852 3.0940 2939.93  74.469  2956.70  110.340 2925.91  100.919 244.285 4.5762 243.084 4.2061 1.201187       6.215555  
1 1 1 -11 -3  6  o 119.432 1.6901 704.355  19.924  697.073  29.901  710.170  26.721  118.771 2.5506 119.898 2.2579 -1.127220      3.406377  
1 1 1 -11 -3  7  o 96.632  1.4022 461.030  13.374  493.639  19.385  431.410  18.476  99.971  1.9646 93.457  2.0029 6.514938       2.805564  
1 1 1 -11 -3  8  o 181.486 3.0247 1628.98  54.183  1463.17  168.740 1648.04  57.212  169.888 10.109 182.524 3.1757 -12.63678      10.59565  
1 1 1 -11 -3  9  o 50.812  1.1586 127.466  5.8107  134.686  8.4307  120.932  8.0199  52.222  1.6356 49.483  1.6420 2.738438       2.317634  
1 1 1 -11 -3  10 o 77.224  1.2784 294.477  9.7446  295.019  13.806  293.939  13.756  77.274  1.8102 77.132  1.8068 0.1414490      2.557589  
1 1 1 -11 -3  11 o 87.057  1.3628 374.333  11.710  354.425  16.452  394.780  16.673  84.674  1.9685 89.370  1.8901 -4.696358      2.728979  
1 1 1 -11 -3  12 o 28.870  1.7467 41.350   4.9540  37.610   6.9098  45.305   7.1065  27.439  2.5817 30.158  2.4074 -2.719719      3.529961  
1 1 1 -11 -3  13 o 114.327 1.6885 646.089  19.054  632.602  27.192  659.098  26.707  113.030 2.4373 115.387 2.3449 -2.357048      3.382186  
1 1 1 -11 -3  14 f 118.265 1.7503 691.618  20.432  664.300  28.152  722.019  29.699  115.795 2.4631 120.715 2.4926 -4.920181      3.504282  
1 1 1 -11 -2  1  o 91.924  1.4943 417.172  13.558  406.686  19.787  426.451  18.614  90.743  2.2092 92.927  2.0294 -2.184509      2.999797  
1 1 1 -11 -2  2  o 91.879  1.4147 416.752  12.829  396.221  19.161  433.437  17.273  89.566  2.1674 93.688  1.8679 -4.121559      2.861193  
1 1 1 -11 -2  3  o 136.533 1.9743 920.605  26.606  923.570  34.704  916.376  41.439  136.719 2.5717 136.151 3.0836 0.5682373      4.015200  
1 1 1 -11 -2  4  o 62.911  1.3349 195.388  8.2889  191.285  13.314  197.984  10.592  62.231  2.1675 63.321  1.6947 -1.090847      2.751393  
1 1 1 -11 -2  5  o 190.032 2.5484 1784.38  47.800  1809.34  67.308  1758.98  67.896  191.244 3.5657 188.553 3.6482 2.690781       5.101301  
1 1 1 -11 -2  6  o 266.242 3.4644 3506.52  91.040  3442.90  142.030 3550.90  118.612 263.357 5.4639 267.708 4.4888 -4.351563      7.071334  
1 1 1 -11 -2  7  o 120.025 1.6965 711.388  20.098  699.259  27.547  725.192  29.389  118.965 2.3460 121.144 2.4578 -2.179146      3.397730  
1 1 1 -11 -2  8  o 62.420  1.1915 192.348  7.3410  190.129  10.361  194.585  10.403  62.049  1.6917 62.772  1.6790 -0.7231903     2.383466  
1 1 1 -11 -2  9  o 42.794  6.3326 93.229   25.941  80.921   36.660  105.571  36.712  39.266  9.5505 45.115  8.5573 -5.848480      12.82339  
1 1 1 -11 -2  10 o 51.031  1.2829 128.587  6.4621  129.109  10.311  128.249  8.2929  51.114  2.0437 50.955  1.6489 0.1588020      2.625906  
1 1 1 -11 -2  11 o 15.687  2.8859 12.568   4.3037  12.467   5.9878  12.676   6.1899  15.546  3.9069 15.678  3.9900 -0.1325150     5.584240  
1 1 1 -11 -2  12 o 24.298  1.9505 29.380   4.6384  27.889   6.2804  31.169   6.8801  23.569  2.7514 24.921  2.8482 -1.351522      3.960080  
1 1 1 -11 -2  13 o 115.466 1.6427 658.964  18.722  646.137  26.418  671.908  26.537  114.249 2.3427 116.510 2.3076 -2.261398      3.288301  
1 1 1 -11 -2  14 o 14.497  3.4768 10.866   4.9110  10.449   6.1966  11.570   8.0530  14.326  4.1455 15.280  4.7956 -0.9531803     6.339017  
1 1 1 -11 -1  1  o 183.610 2.4264 1665.32  43.973  1725.10  64.988  1614.83  59.721  186.782 3.5250 180.730 3.3478 6.051346       4.861438  
1 1 1 -11 -1  2  o 155.685 2.0414 1197.02  31.370  1215.48  44.487  1178.75  44.242  156.827 2.8739 154.438 2.9024 2.389603       4.084504  
1 1 1 -11 -1  3  f 62.956  1.1967 195.651  7.4363  202.964  10.710  188.844  10.333  64.113  1.6925 61.843  1.6928 2.270462       2.393717  
1 1 1 -11 -1  4  o 122.595 1.9072 742.226  23.079  753.771  32.313  730.204  32.973  123.506 2.6507 121.554 2.7482 1.951988       3.818240  
1 1 1 -11 -1  5  o 50.476  1.1659 125.773  5.8089  117.077  8.0450  135.246  8.3963  48.693  1.6739 52.336  1.6254 -3.642872      2.333175  
1 1 1 -11 -1  6  o 256.064 3.5343 3243.87  89.328  3333.27  147.821 3192.45  112.113 259.039 5.7815 253.839 4.4747 5.199280       7.310841  
1 1 1 -11 -1  7  o 191.537 2.4980 1812.88  47.225  1785.55  69.532  1836.28  64.343  189.941 3.7088 192.666 3.3835 -2.724976      5.020272  
1 1 1 -11 -1  8  o 129.003 1.8560 821.930  23.633  813.633  34.010  829.677  32.863  128.296 2.6857 129.564 2.5698 -1.267593      3.717068  
1 1 1 -11 -1  9  o 68.321  1.2545 230.454  8.4595  224.215  11.942  236.740  11.986  67.376  1.7957 69.234  1.7539 -1.857536      2.510107  
1 1 1 -11 -1  10 o 109.769 2.9832 596.241  32.321  606.083  34.438  523.484  93.633  110.654 3.1531 101.228 9.4816 9.425896       9.992141  
1 1 1 -11 -1  11 o 166.364 2.2603 1368.52  37.116  1324.28  55.128  1405.21  50.199  163.452 3.4170 168.452 3.0191 -5.000626      4.559739  
1 1 1 -11 -1  12 o 64.937  1.4178 208.303  9.0873  215.426  11.570  196.831  14.682  66.020  1.7755 63.070  2.3585 2.949478       2.952067  
1 1 1 -11 -1  13 o 39.635  9.6926 84.590   37.604  88.915   52.517  80.040   53.869  40.427  12.167 38.723  12.432 1.703815       17.39488  
1 1 1 -11 -1  14 o 63.960  7.3795 210.933  45.733  198.606  55.901  235.880  79.525  61.171  9.5724 65.128  12.827 -3.957485      16.00529  
1 1 1 -11 0   1  o 97.116  1.5311 465.630  14.676  464.071  20.754  467.190  20.757  96.935  2.1691 97.260  2.1622 -0.3253860     3.062696  
1 1 1 -11 0   2  o 64.113  1.1961 202.910  7.5692  210.204  10.979  196.303  10.450  65.247  1.7047 63.053  1.6791 2.193851       2.392781  
1 1 1 -11 0   3  o 69.517  1.2724 238.566  8.7304  233.524  12.271  243.735  12.424  68.768  1.8078 70.256  1.7916 -1.487679      2.545186  
1 1 1 -11 0   4  o 99.265  1.5792 486.513  15.473  480.318  21.777  492.828  21.989  98.608  2.2375 99.884  2.2303 -1.276184      3.159243  
1 1 1 -11 0   5  o 64.795  1.1601 207.254  7.4194  198.430  10.194  217.195  10.819  63.393  1.6292 66.322  1.6528 -2.929405      2.320732  
1 1 1 -11 0   6  o 54.836  1.1187 148.438  6.0549  141.596  8.1009  157.098  9.1141  53.552  1.5326 56.405  1.6371 -2.853397      2.242494  
1 1 1 -11 0   7  o 142.881 2.0701 1008.41  29.195  1032.56  40.939  983.429  41.646  144.522 2.8699 141.032 2.9918 3.490494       4.145710  
1 1 1 -11 0   8  o 51.640  1.1886 131.649  6.0585  137.661  9.1206  126.902  8.1050  52.797  1.7502 50.694  1.6198 2.102753       2.384737  
1 1 1 -11 0   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 0   10 o 160.111 6.6530 1281.36  105.141 1247.69  148.469 1315.23  148.915 156.632 9.6503 160.943 9.4152 -4.310913      13.48238  
1 1 1 -11 0   11 o 10.201  4.3483 -0.1195  7.7072  1.2929   10.901  -1.5309  10.898  12.525  5.2468 11.749  5.0910 0.7762566      7.310717  
1 1 1 -11 0   12 o 28.851  6.7149 43.547   18.764  45.894   26.621  41.231   26.452  29.663  8.5949 28.331  8.6589 1.332724       12.20035  
1 1 1 -11 0   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 0   14 o 33.842  1.7884 56.786   5.9526  49.477   7.7327  67.417   9.3259  31.505  2.5074 36.798  2.5840 -5.292452      3.600624  
1 1 1 -11 0   15 o 70.876  1.4138 248.253  9.8909  252.890  13.988  243.616  13.988  71.489  1.9823 70.162  2.0199 1.326645       2.830088  
1 1 1 -11 1   1  f 221.735 7.2488 2447.10  158.648 2451.15  224.380 2443.06  224.344 220.975 10.287 220.605 10.303 0.3705750      14.55970  
1 1 1 -11 1   2  o 137.516 1.8973 933.859  25.752  914.015  36.296  953.974  36.544  136.004 2.7038 138.948 2.6646 -2.943665      3.796140  
1 1 1 -11 1   3  o 29.328  1.0145 42.458   2.9369  40.699   4.2305  44.094   4.0803  28.672  1.5001 29.886  1.3833 -1.213470      2.040491  
1 1 1 -11 1   4  o 88.585  1.5238 387.446  13.324  394.874  19.145  380.470  18.554  89.410  2.1694 87.765  2.1419 1.644897       3.048559  
1 1 1 -11 1   5  o 183.546 3.8359 1667.38  69.493  1643.92  94.570  1694.92  102.459 182.020 5.2638 184.753 5.6186 -2.733109      7.699105  
1 1 1 -11 1   6  o 45.729  6.2374 105.889  27.419  117.732  39.102  94.433   38.458  47.786  8.6068 42.558  9.4057 5.227749       12.74929  
1 1 1 -11 1   7  o 108.558 6.2403 588.263  66.584  588.714  94.081  587.810  94.246  107.971 8.9075 107.881 8.9312 0.9003448E-01  12.61388  
1 1 1 -11 1   8  o 64.789  6.1479 210.749  38.845  215.975  54.861  205.495  55.009  65.038  8.7695 63.343  9.0561 1.694763       12.60622  
1 1 1 -11 1   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 1   10 o 137.912 3.8612 942.640  52.560  964.886  124.408 937.806  57.990  137.892 9.1933 137.492 4.2731 0.3992462      10.13788  
1 1 1 -11 1   11 o 59.542  1.4850 175.100  8.7271  167.403  13.546  180.561  11.411  58.185  2.3587 60.448  1.9125 -2.263515      3.036640  
1 1 1 -11 1   12 o 75.588  1.3618 282.200  10.160  279.964  14.277  284.495  14.463  75.257  1.9220 75.863  1.9315 -0.6058731     2.724789  
1 1 1 -11 1   13 o 76.029  1.4007 285.576  10.511  279.619  14.778  291.674  14.954  75.191  1.9912 76.797  1.9728 -1.605225      2.803032  
1 1 1 -11 1   14 o 89.429  1.5124 395.236  13.350  373.461  18.434  419.253  19.359  86.869  2.1499 92.043  2.1309 -5.174042      3.027022  
1 1 1 -11 1   15 o 49.354  1.3428 120.357  6.5411  122.025  10.225  119.201  8.5104  49.653  2.0863 49.095  1.7562 0.5571060      2.727105  
1 1 1 -11 2   1  o 110.403 6.2111 607.330  67.409  594.743  95.408  619.877  95.254  108.687 8.9737 111.024 8.7635 -2.337494      12.54298  
1 1 1 -11 2   2  o 127.490 6.3299 807.869  79.654  803.684  112.693 812.047  112.602 126.372 9.0955 127.047 9.0384 -0.6746216     12.82270  
1 1 1 -11 2   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 2   4  o 101.454 6.2006 513.612  61.794  492.882  87.317  534.412  87.462  98.760  9.0584 102.962 8.6873 -4.201782      12.55086  
1 1 1 -11 2   5  o 161.899 6.6427 1304.98  106.151 1376.84  150.120 1233.13  150.120 165.381 9.2333 156.296 9.7803 9.084946       13.45021  
1 1 1 -11 2   6  o 168.403 6.6803 1412.53  111.039 1360.69  156.791 1464.70  157.276 164.176 9.7189 170.483 9.3826 -6.307205      13.50889  
1 1 1 -11 2   7  o 70.518  6.1397 249.238  42.308  253.519  59.712  244.923  59.955  70.578  8.7599 69.301  8.9758 1.276772       12.54197  
1 1 1 -11 2   8  o 61.237  1.2562 185.136  7.5926  180.362  11.361  188.990  10.207  60.428  1.9048 61.863  1.6716 -1.434406      2.534218  
1 1 1 -11 2   9  o 82.075  1.5137 332.643  12.263  332.247  17.835  332.998  16.888  82.000  2.2036 82.098  2.0841 -0.9780121E-01 3.033026  
1 1 1 -11 2   10 o 19.485  0.7419 18.741   1.4269  17.221   1.7905  21.386   2.3621  18.652  0.9759 20.780  1.1562 -2.128469      1.513022  
1 1 1 -11 2   11 o 42.832  1.2498 90.590   5.2837  86.271   9.4149  92.576   6.3838  41.709  2.2958 43.294  1.4939 -1.585190      2.739006  
1 1 1 -11 2   12 o 40.407  6.5364 84.025   25.179  79.699   35.523  88.392   35.694  38.714  9.3921 40.848  9.0875 -2.133549      13.06884  
1 1 1 -11 2   13 o 79.891  1.4707 315.359  11.598  317.041  16.653  313.775  16.161  80.055  2.1076 79.646  2.0557 0.4088058      2.944116  
1 1 1 -11 2   14 o 51.646  1.5518 131.832  7.9108  130.639  11.106  133.061  11.271  51.374  2.1901 51.847  2.2025 -0.4733315     3.106045  
1 1 1 -11 2   15 o 66.993  1.4443 221.802  9.5505  205.392  13.012  240.969  14.062  64.421  2.0463 69.779  2.0417 -5.357094      2.890685  
1 1 1 -11 3   1  o 111.426 6.2243 618.844  68.182  611.139  96.545  626.510  96.305  110.149 8.9576 111.570 8.8170 -1.420227      12.56895  
1 1 1 -11 3   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 3   3  o 97.511  6.2281 474.654  59.630  486.486  84.494  462.913  84.167  98.173  8.8136 95.696  9.0171 2.476791       12.60901  
1 1 1 -11 3   4  o 73.282  2.2907 265.309  16.569  219.604  58.518  269.292  17.276  65.524  9.3100 73.827  2.3708 -8.303726      9.607157  
1 1 1 -11 3   5  o 102.438 1.6371 518.165  16.552  510.926  23.267  525.583  23.553  101.692 2.3181 103.141 2.3135 -1.448631      3.275030  
1 1 1 -11 3   6  o 202.045 2.6582 2017.69  53.011  2004.85  78.048  2028.69  72.226  201.222 3.9297 202.466 3.6142 -1.244080      5.338966  
1 1 1 -11 3   7  o 59.011  1.1789 171.910  6.8665  176.346  9.2279  166.406  10.278  59.760  1.5644 58.047  1.7939 1.713596       2.380276  
1 1 1 -11 3   8  o 112.034 1.6841 619.854  18.623  629.244  26.252  610.341  26.424  112.843 2.3569 111.132 2.4089 1.711082       3.370166  
1 1 1 -11 3   9  o 190.266 2.4611 1789.37  46.220  1878.53  65.804  1702.56  64.935  194.808 3.4222 185.439 3.5477 9.368973       4.929265  
1 1 1 -11 3   10 o 167.231 2.2462 1382.21  37.076  1407.11  52.046  1356.55  52.828  168.616 3.1272 165.543 3.2331 3.072983       4.498085  
1 1 1 -11 3   11 o 84.125  1.3806 349.494  11.464  324.987  16.389  372.974  16.041  81.090  2.0476 86.881  1.8706 -5.791115      2.773420  
1 1 1 -11 3   12 o 43.899  1.2323 95.171   5.3395  101.533  6.5727  82.824   9.1566  45.337  1.4688 40.857  2.2797 4.479618       2.711860  
1 1 1 -11 3   13 o 96.873  2.9674 465.335  28.373  465.335  28.373  0.0000   0.0000  96.873  2.9674 ?       ?      0.000000       2.967392  
1 1 1 -11 3   14 o 78.568  1.7210 305.210  13.346  283.818  16.421  346.835  22.906  75.720  2.1972 83.630  2.7750 -7.910011      3.539491  
1 1 1 -11 3   15 o 39.968  1.7149 78.993   6.7651  74.251   8.8863  85.531   10.434  38.646  2.3407 41.459  2.5622 -2.813519      3.470376  
1 1 1 -11 3   16 o 61.464  6.5379 194.660  39.055  192.589  54.965  196.771  55.501  59.716  9.6548 60.382  9.6363 -0.6664162     13.64094  
1 1 1 -11 4   1  o 242.648 3.2766 2911.63  78.476  2909.83  111.022 2913.44  110.941 242.326 4.6417 242.477 4.6354 -0.1517029     6.559923  
1 1 1 -11 4   2  o 135.821 2.0301 911.150  27.216  871.378  38.295  951.741  38.687  132.767 2.9223 138.761 2.8246 -5.994858      4.064276  
1 1 1 -11 4   3  o 26.592  1.0163 34.905   2.6674  37.917   3.7893  31.946   3.7554  27.713  1.3853 25.392  1.5051 2.320662       2.045585  
1 1 1 -11 4   4  o 109.611 1.6202 593.264  17.529  579.493  24.130  608.652  25.507  108.304 2.2573 110.991 2.3283 -2.687645      3.242864  
1 1 1 -11 4   5  o 180.877 2.6459 1617.04  47.238  1591.50  70.526  1637.83  63.617  179.272 3.9857 181.928 3.5428 -2.655472      5.332620  
1 1 1 -11 4   6  o 68.383  1.3982 230.882  9.4375  219.492  11.350  256.395  16.988  66.668  1.7249 72.032  2.3893 -5.364861      2.946867  
1 1 1 -11 4   7  o 92.664  1.5529 424.002  14.203  450.947  20.089  397.072  20.084  95.540  2.1303 89.645  2.2698 5.894928       3.112922  
1 1 1 -11 4   8  o 73.097  1.3822 263.819  9.9722  277.804  14.910  252.500  13.414  74.990  2.0143 71.497  1.9008 3.492836       2.769606  
1 1 1 -11 4   9  o 104.253 1.5481 536.732  15.930  530.241  22.848  542.873  22.222  103.585 2.2347 104.817 2.1479 -1.231865      3.099548  
1 1 1 -11 4   10 f 97.520  1.5555 469.687  14.973  488.415  22.124  453.860  20.338  99.406  2.2548 95.832  2.1502 3.574326       3.115663  
1 1 1 -11 4   11 o 24.328  2.6158 29.617   6.1827  31.447   8.6914  27.742   8.7968  24.926  3.6401 23.326  3.9626 1.599812       5.380725  
1 1 1 -11 4   12 o 161.802 2.2194 1294.81  35.445  1231.00  51.544  1352.06  48.820  157.555 3.3144 165.194 2.9941 -7.638763      4.466574  
1 1 1 -11 4   13 o 121.116 1.9401 725.445  23.193  736.959  31.819  712.392  33.879  121.966 2.6431 119.877 2.8632 2.089821       3.896675  
1 1 1 -11 4   14 o 65.814  1.5273 214.090  9.9214  222.268  13.638  204.896  14.460  67.018  2.0617 64.326  2.2774 2.691765       3.072001  
1 1 1 -11 4   15 o 66.822  1.5650 220.740  10.322  213.949  14.222  228.300  15.005  65.731  2.1920 67.895  2.2390 -2.163803      3.133361  
1 1 1 -11 4   16 o 26.522  2.8573 35.339   7.3619  33.640   9.1041  38.548   12.514  25.715  3.6929 27.313  4.8179 -1.598408      6.070369  
1 1 1 -11 5   1  o 228.068 3.4055 2573.05  76.662  2604.87  108.427 2541.25  108.406 229.212 4.7926 226.383 4.8515 2.829391       6.819513  
1 1 1 -11 5   2  o 194.697 2.4699 1873.14  47.465  1854.61  67.125  1891.67  67.127  193.607 3.5126 195.537 3.4780 -1.929779      4.943179  
1 1 1 -11 5   3  o 94.779  1.5615 443.564  14.608  438.654  20.466  448.663  20.857  94.229  2.2005 95.298  2.2174 -1.068268      3.123935  
1 1 1 -11 5   4  o 54.242  1.8955 145.316  10.148  188.713  50.323  143.476  10.361  60.772  8.6321 53.896  1.9476 6.875561       8.849052  
1 1 1 -11 5   5  o 118.790 1.8752 696.953  21.986  717.698  31.384  676.961  30.810  120.498 2.6388 117.026 2.6673 3.471794       3.752031  
1 1 1 -11 5   6  o 127.834 1.8080 807.094  22.813  824.706  32.454  789.893  32.074  129.173 2.5454 126.416 2.5705 2.757622       3.617545  
1 1 1 -11 5   7  o 138.345 2.1209 945.583  28.961  935.526  41.208  955.399  40.711  137.529 3.0357 138.989 2.9675 -1.459930      4.245195  
1 1 1 -11 5   8  o 136.605 1.9703 921.872  26.567  896.017  37.804  947.099  37.342  134.604 2.8454 138.398 2.7336 -3.794739      3.945749  
1 1 1 -11 5   9  o 185.343 2.5766 1698.45  47.136  1741.49  67.038  1656.37  66.288  187.508 3.6222 182.859 3.6727 4.649139       5.158366  
1 1 1 -11 5   10 o 60.605  1.1891 181.348  7.1134  191.167  9.9311  171.003  10.194  62.212  1.6173 58.836  1.7553 3.376694       2.386798  
1 1 1 -11 5   11 o 91.498  1.6466 413.586  14.871  411.181  21.355  415.850  20.720  91.183  2.3728 91.706  2.2891 -0.5228195     3.296933  
1 1 1 -11 5   12 o 81.641  1.3905 329.234  11.205  330.690  16.427  327.967  15.324  81.781  2.0350 81.453  1.9060 0.3280411      2.788223  
1 1 1 -11 5   13 o 106.279 1.7306 558.381  18.154  544.943  25.652  571.865  25.696  104.899 2.4775 107.467 2.4224 -2.568062      3.464980  
1 1 1 -11 5   14 o 43.794  3.2652 95.843   14.013  90.183   40.323  96.621   14.944  40.627  10.099 43.936  3.4744 -3.309513      10.67995  
1 1 1 -11 5   15 o 57.867  6.6608 172.582  37.350  192.832  52.682  152.118  52.961  60.144  9.1641 52.665  10.556 7.478882       13.97879  
1 1 1 -11 5   16 o 53.165  6.7813 146.799  34.775  155.128  48.952  138.314  49.408  53.412  9.6402 50.034  10.346 3.377972       14.14132  
1 1 1 -11 6   1  o 80.653  1.4762 321.178  11.752  315.196  16.728  327.008  16.513  79.878  2.1217 81.364  2.0562 -1.485229      2.954582  
1 1 1 -11 6   2  o 85.063  1.5489 357.280  13.004  365.725  18.390  348.834  18.392  86.041  2.1654 84.028  2.2175 2.012405       3.099403  
1 1 1 -11 6   3  o 88.398  1.5647 385.854  13.652  403.093  19.740  370.047  18.902  90.326  2.2141 86.545  2.2127 3.781624       3.130270  
1 1 1 -11 6   4  o 79.731  1.4039 313.873  11.048  322.216  15.424  305.082  15.834  80.767  1.9348 78.587  2.0413 2.180527       2.812500  
1 1 1 -11 6   5  o 100.440 2.2823 498.487  22.626  715.146  90.910  484.180  23.362  119.291 7.7633 98.983  2.3912 20.30809       8.123189  
1 1 1 -11 6   6  o 29.544  1.0429 43.089   3.0412  42.765   4.3425  43.400   4.2604  29.391  1.5020 29.647  1.4559 -0.2566376     2.091782  
1 1 1 -11 6   7  o 119.688 2.0944 707.765  24.742  720.297  34.993  695.236  34.988  120.678 2.9378 118.555 2.9899 2.122513       4.191693  
1 1 1 -11 6   8  o 70.116  1.4322 242.758  9.9120  256.082  12.220  217.127  16.948  72.005  1.7194 66.269  2.5911 5.736122       3.109623  
1 1 1 -11 6   9  o 129.059 1.9272 822.915  24.550  829.383  34.524  816.299  34.918  129.497 2.7010 128.467 2.7538 1.030914       3.857303  
1 1 1 -11 6   10 o 135.932 2.0738 913.200  27.825  927.059  39.911  900.093  38.812  136.860 2.9545 134.860 2.9158 2.000137       4.151012  
1 1 1 -11 6   11 o 48.833  1.1976 117.753  5.7725  121.005  8.0202  114.258  8.3147  49.490  1.6418 48.087  1.7518 1.403160       2.400925  
1 1 1 -11 6   12 o 190.917 2.6224 1804.75  49.417  1807.31  73.288  1802.61  66.918  190.676 3.8940 190.541 3.5582 0.1352386      5.274852  
1 1 1 -11 6   13 o 143.274 6.5785 1039.00  93.032  1012.79  131.277 1065.45  131.858 139.223 9.6120 142.986 9.3952 -3.763245      13.44100  
1 1 1 -11 6   14 o 18.967  6.9420 15.147   16.967  21.709   24.148  8.7499   23.844  22.510  8.2752 19.418  7.9081 3.091621       11.44625  
1 1 1 -11 6   15 o 42.864  7.1433 96.393   29.158  106.155  41.099  86.499   41.374  44.076  9.7093 39.539  10.445 4.536507       14.26096  
1 1 1 -11 6   16 o 10.606  1.4712 5.6676   1.4986  5.6407   1.5111  7.2716   11.670  10.578  1.4886 14.664  5.6708 -4.086157      5.862905  
1 1 1 -11 7   1  o 115.554 1.8794 659.518  21.435  670.950  30.680  648.615  29.961  116.504 2.6679 114.550 2.6499 1.954308       3.760319  
1 1 1 -11 7   2  o 232.471 2.9196 2672.38  66.993  2699.13  94.851  2645.75  94.634  233.403 4.1172 231.077 4.1491 2.326645       5.845203  
1 1 1 -11 7   3  o 41.615  1.2443 85.499   5.1110  68.072   7.8115  98.544   6.7584  37.057  2.1448 44.673  1.5327 -7.615635      2.636181  
1 1 1 -11 7   4  o 70.524  1.3166 245.559  9.1647  252.813  12.836  238.017  13.089  71.544  1.8178 69.416  1.9104 2.128021       2.636983  
1 1 1 -11 7   5  o 147.089 1.9817 1068.78  28.770  1092.60  40.915  1045.48  40.463  148.648 2.7887 145.404 2.8194 3.244217       3.965537  
1 1 1 -11 7   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 7   7  o 119.370 1.9745 703.967  23.264  715.920  33.296  692.567  32.517  120.315 2.8038 118.338 2.7839 1.976761       3.951126  
1 1 1 -11 7   8  o 30.283  1.4785 45.286   4.4191  47.429   10.596  44.835   4.8622  30.741  3.5578 30.084  1.6436 0.6567287      3.919141  
1 1 1 -11 7   9  o 114.977 1.7369 653.037  19.711  638.841  27.732  667.533  28.022  113.665 2.4718 116.192 2.4434 -2.527046      3.475603  
1 1 1 -11 7   10 o 80.066  1.5809 316.656  12.493  313.194  17.633  320.146  17.704  79.591  2.2446 80.471  2.2289 -0.8795624     3.163240  
1 1 1 -11 7   11 o 57.700  6.4728 169.178  36.229  154.883  50.699  184.096  51.789  54.180  9.8429 59.431  9.1199 -5.251137      13.41843  
1 1 1 -11 7   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 7   13 o 80.818  2.0681 323.208  16.497  324.759  23.331  321.658  23.330  80.903  2.9217 80.514  2.9357 0.3892288      4.141837  
1 1 1 -11 7   14 o 42.142  1.6436 87.819   6.8367  87.332   7.8414  89.366   13.960  42.011  1.8910 42.245  3.3762 -0.2338448     3.869747  
1 1 1 -11 7   15 o 129.157 2.2664 826.651  28.893  771.630  35.449  935.542  49.869  124.628 2.8817 136.940 3.6895 -12.31155      4.681533  
1 1 1 -11 7   16 o 51.856  2.1288 133.249  10.896  130.765  15.147  135.913  15.685  51.180  3.0118 52.172  3.0593 -0.9918213     4.292985  
1 1 1 -11 8   1  o 205.341 2.8486 2085.06  57.735  2067.93  81.521  2102.29  81.778  204.291 4.0428 205.986 4.0222 -1.694733      5.702868  
1 1 1 -11 8   2  o 176.862 2.3715 1545.89  41.399  1544.99  58.621  1546.79  58.473  176.686 3.3614 176.791 3.3509 -0.1046753     4.746328  
1 1 1 -11 8   3  o 97.141  1.5206 465.977  14.580  450.809  20.447  481.665  20.795  95.518  2.1688 98.735  2.1338 -3.216751      3.042448  
1 1 1 -11 8   4  o 114.935 1.8436 652.511  20.915  664.928  29.505  639.971  29.651  115.975 2.5775 113.772 2.6404 2.202080       3.689883  
1 1 1 -11 8   5  o 112.495 1.9121 625.169  21.231  620.180  30.248  630.014  29.807  111.989 2.7365 112.878 2.6754 -0.8892975     3.826974  
1 1 1 -11 8   6  o 103.861 1.7789 532.830  18.236  533.609  26.078  532.085  25.512  103.889 2.5431 103.745 2.4914 0.1447296      3.560123  
1 1 1 -11 8   7  o 177.578 3.4728 1561.73  60.870  1536.47  65.020  1740.84  173.161 176.087 3.7410 185.165 9.5066 -9.078156      10.21619  
1 1 1 -11 8   8  o 195.213 3.2280 1886.82  62.197  1857.55  76.155  1945.44  107.788 193.529 3.9867 197.606 5.5263 -4.077179      6.814300  
1 1 1 -11 8   9  o 97.344  7.3143 478.728  69.764  425.583  119.498 506.206  85.928  89.038  14.064 99.599  8.8324 -10.56055      16.60773  
1 1 1 -11 8   10 o 20.621  7.1501 19.377   17.766  23.073   25.702  15.996   24.584  23.436  8.5492 21.451  8.2486 1.984333       11.87972  
1 1 1 -11 8   11 o 129.692 2.7063 832.902  34.643  879.918  50.296  790.463  47.785  133.078 3.8291 126.130 3.8383 6.947884       5.421684  
1 1 1 -11 8   12 o 46.566  1.5921 107.165  7.3176  114.656  14.386  104.550  8.4993  47.980  3.0537 45.982  1.8727 1.998177       3.582142  
1 1 1 -11 8   13 o 39.165  1.1576 75.768   4.4750  77.105   4.7808  66.310   12.718  39.506  1.2260 36.324  3.5945 3.182545       3.797843  
1 1 1 -11 8   14 o 45.906  1.4946 104.186  6.7724  78.350   14.574  111.301  7.6484  39.447  3.7897 47.440  1.6334 -7.992607      4.126753  
1 1 1 -11 8   15 o 21.058  4.6737 23.136   9.4607  18.317   12.957  28.639   13.846  19.107  6.0933 23.302  5.9878 -4.195103      8.542963  
1 1 1 -11 8   16 o 56.657  1.8415 158.933  10.298  185.263  20.496  150.040  11.911  60.836  3.4272 55.012  2.1936 5.824158       4.069116  
1 1 1 -11 9   1  o 86.448  1.5041 369.034  12.834  370.227  17.932  367.781  18.376  86.563  2.0988 86.273  2.1579 0.2893677      3.010248  
1 1 1 -11 9   2  o 128.003 2.1039 809.576  26.581  826.042  37.929  793.682  37.264  129.223 2.9737 126.665 2.9805 2.557106       4.210291  
1 1 1 -11 9   3  o 64.097  1.2850 202.850  8.1297  191.572  11.084  215.983  11.961  62.276  1.8031 66.124  1.8326 -3.847767      2.570923  
1 1 1 -11 9   4  o 112.048 1.7969 620.160  19.873  623.717  28.176  616.638  28.033  112.318 2.5415 111.679 2.5431 0.6393585      3.595373  
1 1 1 -11 9   5  o 102.657 1.5885 520.467  16.095  518.527  23.091  522.300  22.447  102.425 2.2840 102.802 2.2122 -0.3767166     3.179740  
1 1 1 -11 9   6  o 39.253  7.2870 79.625   27.194  74.838   38.476  84.403   38.440  37.713  10.124 40.006  9.8099 -2.292812      14.09702  
1 1 1 -11 9   7  o 49.819  6.8638 126.541  32.855  178.413  48.779  83.468   44.450  58.847  8.6567 39.740  10.971 19.10699       13.97535  
1 1 1 -11 9   8  o 165.737 6.7776 1376.92  110.874 1409.83  157.109 1344.27  156.492 166.157 9.6208 162.119 9.8261 4.038376       13.75180  
1 1 1 -11 9   9  o 60.104  1.5343 178.445  9.1022  175.942  12.883  180.939  12.862  59.654  2.1879 60.497  2.1540 -0.8429337     3.070318  
1 1 1 -11 9   10 o 60.367  1.2961 179.976  7.7227  187.801  12.248  174.812  9.9499  61.633  2.0133 59.479  1.6948 2.154373       2.631653  
1 1 1 -11 9   11 o 21.901  1.0854 23.686   2.3464  28.917   3.3107  18.406   3.3260  24.154  1.3946 19.215  1.7737 4.938749       2.256273  
1 1 1 -11 9   12 o 50.371  1.2045 125.328  5.9887  125.924  9.4634  124.930  7.7345  50.457  1.9002 50.276  1.5586 0.1812019      2.457635  
1 1 1 -11 9   13 o 37.102  2.9545 68.797   10.730  65.878   19.359  70.092   12.891  35.702  5.6842 37.351  3.5389 -1.648918      6.695790  
1 1 1 -11 9   14 o 55.285  2.1584 151.431  11.778  150.153  16.488  152.763  16.830  54.860  3.0571 55.329  3.0942 -0.4691162     4.349671  
1 1 1 -11 9   15 o 21.902  1.7367 23.886   3.7236  38.592   13.308  22.637   3.8786  27.220  5.1417 21.303  1.8633 5.916868       5.468956  
1 1 1 -11 9   16 o 45.017  1.8648 100.367  8.2858  96.674   8.7199  134.721  26.594  44.169  2.0001 51.255  5.3350 -7.085762      5.697571  
1 1 1 -11 10  1  o 173.535 2.7388 1489.38  46.912  1463.99  66.332  1514.79  66.354  171.858 3.9104 174.827 3.8452 -2.969147      5.484261  
1 1 1 -11 10  2  o 32.669  2.0970 52.956   6.7262  53.166   9.5009  52.744   9.5237  32.645  2.9815 32.512  3.0017 0.1334152      4.230775  
1 1 1 -11 10  3  o 187.861 3.2534 1747.19  60.327  1731.82  85.271  1762.59  85.358  186.735 4.6264 188.396 4.5903 -1.660690      6.517243  
1 1 1 -11 10  4  o 149.501 6.6494 1117.92  98.120  1091.04  138.473 1145.03  139.055 146.335 9.6410 150.023 9.4388 -3.687531      13.49218  
1 1 1 -11 10  5  o 83.006  6.4389 346.480  52.341  346.256  74.190  346.703  73.855  82.160  9.3130 82.231  9.2605 -0.7115173E-01 13.13347  
1 1 1 -11 10  6  o 71.670  6.4066 258.909  44.843  263.481  64.028  254.507  62.825  71.505  9.2914 70.259  9.2870 1.246216       13.13696  
1 1 1 -11 10  7  o 154.437 2.3551 1179.38  35.900  1148.07  44.527  1237.53  60.686  152.287 2.9623 157.932 3.8930 -5.644943      4.891905  
1 1 1 -11 10  8  o 67.282  2.0076 223.755  13.332  371.729  65.472  217.354  13.618  85.454  7.8500 66.309  2.0806 19.14464       8.121088  
1 1 1 -11 10  9  o 71.624  1.3579 253.372  9.5997  246.564  13.581  260.168  13.571  70.626  1.9483 72.551  1.8951 -1.925308      2.717912  
1 1 1 -11 10  10 o 76.622  1.6300 290.120  12.327  292.673  17.104  287.362  17.782  76.913  2.2531 76.202  2.3642 0.7106934      3.265853  
1 1 1 -11 10  11 f 96.638  1.8159 461.773  17.321  488.565  25.190  437.746  23.855  99.307  2.5699 94.000  2.5711 5.306717       3.635183  
1 1 1 -11 10  12 o 19.388  1.7865 18.750   3.3803  31.233   12.521  17.768   3.5107  24.459  5.3363 18.854  1.9130 5.604933       5.668840  
1 1 1 -11 10  13 o 77.256  1.6275 295.194  12.410  309.193  16.389  276.379  19.000  79.010  2.1016 74.632  2.5793 4.377998       3.327092  
1 1 1 -11 10  14 o 118.482 1.9525 695.209  22.834  677.090  31.890  714.271  32.710  116.724 2.7680 119.888 2.7642 -3.163139      3.911857  
1 1 1 -11 10  15 o 83.087  1.8488 341.840  15.162  343.586  22.444  340.375  20.563  83.134  2.7352 82.791  2.5164 0.3431473      3.716660  
1 1 1 -11 10  16 o 61.514  1.5092 187.217  9.1635  198.784  12.640  174.403  13.304  63.322  2.0224 59.276  2.2738 4.045715       3.043090  
1 1 1 -11 11  1  o 46.923  7.2794 112.949  32.622  149.919  46.445  76.951   45.831  53.736  9.0802 38.348  11.325 15.38766       14.51596  
1 1 1 -11 11  2  o 137.394 6.5265 944.404  88.508  916.395  124.922 972.636  125.417 134.023 9.5050 138.212 9.2468 -4.188553      13.26077  
1 1 1 -11 11  3  f 33.085  7.7503 57.239   24.866  50.392   34.926  64.277   35.410  31.591  9.9966 35.029  9.8368 -3.437853      14.02477  
1 1 1 -11 11  4  o 104.640 3.0833 542.129  31.845  579.972  94.621  537.295  33.818  106.567 9.0823 104.149 3.2897 2.417671       9.659765  
1 1 1 -11 11  5  o 58.472  1.1780 168.817  6.7986  164.967  9.6220  172.656  9.6073  57.787  1.6870 59.119  1.6464 -1.332787      2.357224  
1 1 1 -11 11  6  o 53.403  1.3321 140.837  7.0215  146.425  9.9083  135.200  9.9517  54.435  1.8441 52.304  1.9276 2.131149       2.667687  
1 1 1 -11 11  7  o 89.285  1.5343 393.789  13.522  391.729  18.969  395.918  19.281  89.010  2.1591 89.483  2.1830 -0.4727631     3.070324  
1 1 1 -11 11  8  o 16.449  0.8210 13.356   1.3329  16.701   1.9294  10.303   1.8434  18.360  1.0693 14.384  1.3129 3.976097       1.693258  
1 1 1 -11 11  9  o 37.998  4.4523 72.905   16.382  73.742   41.782  72.753   17.808  37.138  10.770 37.872  4.8772 -0.7337646     11.82266  
1 1 1 -11 11  10 o 16.092  5.1648 12.674   9.2977  4.7277   13.927  19.063   12.488  14.903  6.0537 19.427  5.9514 -4.523756      8.489260  
1 1 1 -11 11  11 o 62.089  1.3910 190.499  8.5246  180.755  11.994  200.448  12.119  60.438  2.0105 63.652  1.9289 -3.213932      2.786186  
1 1 1 -11 11  12 o 68.947  1.8640 235.245  12.685  237.221  18.132  233.350  17.754  69.138  2.6570 68.577  2.6229 0.5615997      3.733500  
1 1 1 -11 11  13 o 45.137  0.9863 100.635  4.3943  106.301  6.2267  95.014   6.2025  46.372  1.3604 43.837  1.4335 2.534988       1.976261  
1 1 1 -11 11  14 o 79.063  1.6285 309.300  12.709  296.662  18.280  321.122  17.680  77.314  2.3954 80.469  2.2260 -3.155006      3.270069  
1 1 1 -11 11  15 o 37.965  7.7061 77.942   27.890  78.152   39.562  77.733   39.325  37.072  10.393 36.984  10.359 0.8773041E-01  14.67424  
1 1 1 -11 12  1  o 157.095 3.3560 1222.89  52.037  1218.29  73.600  1227.48  73.584  156.478 4.7653 157.073 4.7462 -0.5942841     6.725682  
1 1 1 -11 12  2  o 118.540 1.9046 694.398  22.285  690.655  32.007  697.920  31.045  118.136 2.7449 118.767 2.6483 -0.6310120     3.814198  
1 1 1 -11 12  3  o 25.408  1.1311 31.876   2.8367  39.703   4.0788  24.544   3.9479  28.314  1.4645 22.213  1.8165 6.101444       2.333330  
1 1 1 -11 12  4  o 44.937  1.4817 99.744   6.5722  86.676   13.958  103.467  7.4497  41.675  3.4234 45.764  1.6492 -4.088585      3.799923  
1 1 1 -11 12  5  o 91.995  1.7025 418.158  15.459  429.500  22.152  407.389  21.584  93.179  2.4086 90.749  2.4097 2.430168       3.407006  
1 1 1 -11 12  6  o 61.228  1.5434 185.204  9.3274  190.089  13.417  180.634  12.976  61.998  2.1925 60.438  2.1752 1.560562       3.088457  
1 1 1 -11 12  7  o 158.978 2.2134 1250.17  34.733  1260.21  49.528  1240.45  48.721  159.430 3.1474 158.181 3.1205 1.249146       4.432103  
1 1 1 -11 12  8  o 70.797  1.5725 247.681  10.988  247.184  15.867  248.138  15.232  70.677  2.2745 70.821  2.1790 -0.1440201     3.149848  
1 1 1 -11 12  9  o 26.033  3.8565 34.448   9.6098  37.383   14.459  32.126   12.861  26.789  5.6463 24.838  5.4000 1.950869       7.812869  
1 1 1 -11 12  10 o 76.014  2.1937 286.081  16.459  280.610  16.905  385.819  72.181  75.275  2.2752 85.937  8.6261 -10.66193      8.921075  
1 1 1 -11 12  11 o 40.523  1.1214 81.122   4.4852  75.739   6.4050  86.301   6.2828  39.133  1.6582 41.780  1.5235 -2.646622      2.251862  
1 1 1 -11 12  12 o 95.070  1.7371 447.270  16.301  460.404  22.827  433.602  23.286  96.337  2.4006 93.465  2.5241 2.871620       3.483405  
1 1 1 -11 12  13 o 24.542  4.8090 31.406   11.233  24.391   13.623  46.303   19.853  21.536  6.1205 29.371  6.9555 -7.834976      9.264895  
1 1 1 -11 12  14 o 14.904  6.3979 0.1387   16.898  -3.8708  27.577  2.5491   21.382  18.119  7.9695 17.126  7.2699 0.9922218      10.78725  
1 1 1 -11 12  15 o 22.919  7.6218 26.875   20.161  0.0000   0.0000  26.875   20.161  ?       ?      22.919  7.6218 0.000000       7.621783  
1 1 1 -11 13  1  o 22.065  4.1061 24.966   8.6135  29.896   12.441  20.427   11.937  24.001  5.3843 19.978  5.7460 4.022648       7.874402  
1 1 1 -11 13  2  o 64.868  1.3637 207.831  8.7315  203.712  12.229  212.115  12.471  64.196  1.9299 65.507  1.9288 -1.310806      2.728551  
1 1 1 -11 13  3  o 134.231 2.1887 891.096  28.999  904.640  41.642  878.344  40.407  135.099 3.1228 133.130 3.0750 1.969330       4.382658  
1 1 1 -11 13  4  o 132.545 2.1393 868.846  27.988  852.495  40.809  883.367  38.458  131.132 3.1529 133.528 2.9180 -2.396652      4.296009  
1 1 1 -11 13  5  o 26.436  1.1643 34.513   3.0379  45.452   4.3578  24.170   4.2372  30.332  1.4556 22.022  1.9702 8.310011       2.449535  
1 1 1 -11 13  6  o 83.868  1.5337 347.555  12.696  357.298  17.962  337.827  17.948  84.987  2.1413 82.633  2.2005 2.353554       3.070431  
1 1 1 -11 13  7  o 202.490 3.0846 2034.37  61.651  2052.55  87.162  2016.18  87.213  202.857 4.3532 201.031 4.3952 1.826263       6.186124  
1 1 1 -11 13  8  o 81.776  1.4494 330.465  11.699  330.712  16.536  330.219  16.555  81.753  2.0492 81.692  2.0531 0.6138611E-01  2.900782  
1 1 1 -11 13  9  o 15.530  1.2591 11.994   1.9135  7.0571   2.8149  16.236   2.6090  11.710  2.5107 18.064  1.4762 -6.353520      2.912545  
1 1 1 -11 13  10 o 48.012  1.6186 114.002  7.6705  102.469  15.859  117.524  8.7637  45.197  3.5844 48.734  1.8219 -3.537460      4.020884  
1 1 1 -11 13  11 o 17.358  1.3331 14.982   2.2665  14.803   2.2713  57.160   34.887  17.253  1.3444 32.349  9.9537 -15.09617      10.04405  
1 1 1 -11 13  12 o 69.224  7.0602 250.734  47.565  263.660  67.526  238.005  67.011  68.976  10.228 65.079  10.811 3.896545       14.88311  
1 1 1 -11 13  13 o 15.247  6.5668 -0.1651  17.913  3.2272   25.313  -3.5675  25.351  18.554  7.8939 17.402  7.6479 1.151979       10.99106  
1 1 1 -11 13  14 o 21.556  1.0417 22.961   2.2163  24.680   2.9896  20.864   3.3023  22.296  1.3650 20.462  1.6491 1.833935       2.140741  
1 1 1 -11 13  15 o 22.639  1.3699 25.449   3.0468  41.754   4.4082  10.537   4.2158  29.000  1.5456 14.254  3.0859 14.74616       3.451344  
1 1 1 -11 14  1  o 94.830  2.3165 445.068  21.683  445.068  21.683  0.0000   0.0000  94.830  2.3165 ?       ?      0.000000       2.316549  
1 1 1 -11 14  2  o 67.811  1.5248 227.217  10.206  238.070  14.777  217.321  14.112  69.368  2.1582 66.277  2.1572 3.091690       3.051455  
1 1 1 -11 14  3  o 51.413  1.2964 130.572  6.5787  125.317  9.2669  135.912  9.3409  50.343  1.8649 52.431  1.8049 -2.088093      2.595330  
1 1 1 -11 14  4  o 63.873  1.5953 201.635  10.058  205.919  16.163  198.927  12.849  64.477  2.5397 63.413  2.0528 1.063969       3.265583  
1 1 1 -11 14  5  o 113.263 2.0158 634.651  22.536  627.637  32.752  640.958  31.056  112.479 2.9500 113.702 2.7672 -1.222809      4.044788  
1 1 1 -11 14  6  o 57.012  1.9522 160.801  10.986  167.150  16.326  155.549  14.850  58.046  2.8495 56.012  2.6861 2.034451       3.915987  
1 1 1 -11 14  7  o 144.247 2.1434 1030.16  30.516  1066.34  43.684  995.670  42.648  146.528 3.0204 141.580 3.0519 4.947815       4.293808  
1 1 1 -11 14  8  o 92.244  1.7801 420.949  16.207  420.634  23.384  421.240  22.484  92.088  2.5726 92.172  2.4714 -0.8422089E-01 3.567408  
1 1 1 -11 14  9  o 58.482  2.0216 169.385  11.669  179.441  17.158  160.729  15.918  60.083  2.8932 56.872  2.8356 3.210991       4.051087  
1 1 1 -11 14  10 o 37.471  8.5385 76.741   30.876  110.657  46.176  49.314   41.525  44.185  10.701 30.921  10.917 13.26369       15.28728  
1 1 1 -11 14  11 o 55.229  7.8264 162.868  41.470  189.172  60.058  138.896  57.333  57.670  10.951 48.574  12.023 9.095928       16.26285  
1 1 1 -11 14  12 o 18.901  0.9064 17.648   1.6911  11.949   2.0849  28.608   2.8912  15.482  1.3788 24.025  1.2233 -8.542581      1.843204  
1 1 1 -11 14  13 o 61.870  1.6729 189.561  10.216  196.210  12.431  175.728  17.931  62.899  2.0024 59.252  3.0766 3.647388       3.670793  
1 1 1 -11 14  14 o 82.118  1.7531 334.166  14.209  357.722  19.855  309.434  20.345  84.819  2.3716 78.823  2.6149 5.995621       3.530213  
1 1 1 -11 15  1  o 71.928  1.7784 255.882  12.626  258.093  18.129  253.799  17.595  72.155  2.5454 71.559  2.4911 0.5960083      3.561597  
1 1 1 -11 15  2  o 27.598  1.3432 37.635   3.6589  38.105   3.6846  4.1619   31.070  27.770  1.3443 20.761  8.7853 7.008368       8.887586  
1 1 1 -11 15  3  o 98.171  1.7792 476.690  17.241  478.255  25.038  475.280  23.775  98.211  2.5829 97.927  2.4597 0.2846298      3.566720  
1 1 1 -11 15  4  o 75.871  1.5947 284.614  11.942  292.718  17.428  277.441  16.396  76.868  2.2971 74.844  2.2195 2.023201       3.194195  
1 1 1 -11 15  5  o 26.974  1.3794 36.055   3.6604  37.226   3.8386  24.317   12.154  27.406  1.4239 21.546  5.6466 5.860252       5.823373  
1 1 1 -11 15  6  o 55.608  1.3564 152.835  7.4449  172.540  10.590  133.577  10.469  59.049  1.8169 51.938  2.0421 7.111511       2.733394  
1 1 1 -11 15  7  o 144.151 2.2057 1029.87  31.383  1025.40  44.298  1034.37  44.468  143.532 3.1268 144.159 3.1252 -0.6269836     4.420802  
1 1 1 -11 15  8  o 39.513  8.5084 85.067   32.203  91.880   45.624  78.304   45.459  40.126  11.130 37.179  11.349 2.947922       15.89552  
1 1 1 -11 15  9  o 79.122  6.7166 325.532  51.959  345.315  73.060  305.287  73.908  79.575  9.4890 74.096  10.391 5.478943       14.07200  
1 1 1 -11 15  10 o 71.534  1.5404 253.224  10.876  258.300  15.757  248.605  15.031  72.144  2.2127 70.788  2.1513 1.355988       3.086123  
1 1 1 -11 15  11 o 44.125  1.3249 96.295   5.7703  106.757  8.1750  85.907   8.1460  46.420  1.7842 41.622  1.9829 4.797951       2.667438  
1 1 1 -11 15  12 o 42.530  1.7114 89.607   7.1841  111.673  48.060  89.102   7.2657  43.420  11.155 42.408  1.7358 1.011787       11.28896  
1 1 1 -11 15  13 o 7.5579  1.9861 2.9372   1.5010  2.6330   2.2625  3.1763   2.0060  7.5453  2.5535 7.9484  2.3746 -0.4031076     3.487002  
1 1 1 -11 15  14 o 16.846  1.2397 14.114   2.0469  25.187   2.8471  2.2682   2.9449  22.526  1.2859 7.7209  2.8801 14.80500       3.154080  
1 1 1 -11 16  1  f 93.003  1.7613 428.073  16.168  439.706  23.444  417.524  22.326  94.119  2.5236 91.726  2.4660 2.392868       3.528411  
1 1 1 -11 16  2  o 70.303  1.5127 244.428  10.497  248.124  14.796  240.682  14.895  70.763  2.1183 69.687  2.1655 1.075653       3.029328  
1 1 1 -11 16  3  o 29.914  3.5894 45.299   10.386  47.203   13.505  42.540   16.251  30.295  4.6659 28.399  5.9862 1.896811       7.589840  
1 1 1 -11 16  4  o 57.312  1.9909 162.711  11.262  171.691  16.687  155.198  15.263  58.754  2.8774 55.877  2.7674 2.877075       3.992230  
1 1 1 -11 16  5  o 60.595  7.4956 193.543  43.875  197.504  63.765  189.982  60.464  58.941  11.373 58.052  10.954 0.8894424      15.78989  
1 1 1 -11 16  6  o 33.125  9.0636 60.719   30.494  71.469   44.292  51.031   42.046  35.551  11.258 31.192  10.988 4.359407       15.73180  
1 1 1 -11 16  7  o 83.747  6.8637 366.031  56.238  390.674  79.442  341.277  79.623  84.326  9.7227 78.031  10.613 6.294746       14.39350  
1 1 1 -11 16  8  o 18.669  0.8761 17.217   1.6144  16.258   2.3071  18.137   2.2597  18.086  1.3011 19.117  1.2037 -1.030922      1.772528  
1 1 1 -11 16  9  o 90.118  1.7928 402.402  15.947  399.451  22.432  405.418  22.676  89.608  2.5362 90.273  2.5449 -0.6643524     3.592898  
1 1 1 -11 16  10 o 18.853  1.1519 17.637   2.1332  8.5693   2.9898  27.040   3.0446  12.920  2.4338 23.343  1.3269 -10.42325      2.772001  
1 1 1 -11 16  11 o 66.998  1.5415 222.254  10.194  235.155  14.791  210.584  14.068  68.804  2.1780 65.108  2.1891 3.696022       3.088005  
1 1 1 -11 16  12 f 54.716  2.0592 148.672  11.121  203.990  29.195  139.283  12.028  63.106  4.7213 52.919  2.3027 10.18747       5.252889  
1 1 1 -11 16  13 o 39.143  8.8509 87.743   33.394  85.855   47.414  89.602   47.041  37.196  11.630 38.009  11.532 -0.8122864     16.37816  
1 1 1 -11 17  1  o 33.166  1.1097 54.364   3.6328  52.682   5.1659  56.010   5.1097  32.624  1.6043 33.643  1.5387 -1.018818      2.222935  
1 1 1 -11 17  2  o 18.619  7.2006 12.836   18.817  12.235   27.213  13.387   26.048  20.787  8.4550 20.719  8.3269 0.6768799E-01  11.86692  
1 1 1 -11 17  3  o 32.699  8.5188 59.273   27.770  67.387   39.800  51.575   38.766  34.390  10.640 30.841  10.569 3.548719       14.99701  
1 1 1 -11 17  4  o 85.265  6.7857 380.379  56.636  371.963  80.206  388.750  79.985  81.539  10.188 83.662  9.8765 -2.123047      14.18948  
1 1 1 -11 17  5  o 72.956  1.9824 263.940  14.276  270.184  20.247  257.766  20.131  73.643  2.7854 71.918  2.8360 1.724602       3.975090  
1 1 1 -11 17  6  o 14.527  0.8322 10.458   1.1883  19.304   1.7387  2.7063   1.6277  19.768  0.8911 7.3146  2.1270 12.45321       2.306123  
1 1 1 -11 17  7  o 24.562  0.9341 29.808   2.2646  29.734   3.8818  29.847   2.7882  24.451  1.6176 24.571  1.1497 -0.1200390     1.984522  
1 1 1 -11 17  8  o 48.364  1.4329 115.763  6.8404  118.059  9.6558  113.451  9.6918  48.776  2.0056 47.808  2.0539 0.9676590      2.870705  
1 1 1 -11 17  9  o 57.433  1.8987 163.622  10.764  163.335  11.798  165.050  26.291  57.352  2.0841 56.754  4.7366 0.5987129      5.174788  
1 1 1 -11 17  10 o 23.581  1.8311 27.743   4.2284  43.276   21.099  27.093   4.3160  27.964  7.4926 23.292  1.8937 4.671934       7.728226  
1 1 1 -11 17  11 o 44.851  1.2559 99.526   5.5599  106.504  8.1120  93.344   7.6353  46.339  1.7736 43.381  1.7832 2.958408       2.514997  
1 1 1 -11 17  12 o 31.090  1.4096 47.868   4.3258  51.142   6.1835  44.729   6.0537  32.026  1.9657 29.926  2.0620 2.099215       2.848813  
1 1 1 -11 18  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -11 18  2  o 12.233  1.8089 7.5761   2.1183  7.5215   24.554  7.5765   2.1262  18.987  7.9070 12.232  1.8162 6.754728       8.112959  
1 1 1 -11 18  3  o 45.246  1.6590 101.417  7.4089  99.334   8.5134  107.920  15.041  44.750  1.9274 46.302  3.3131 -1.551746      3.832937  
1 1 1 -11 18  4  o 65.322  1.2564 211.046  8.1005  223.839  11.471  198.318  11.441  67.206  1.7292 63.243  1.8328 3.963425       2.519805  
1 1 1 -11 18  5  o 15.241  1.1968 11.558   1.7859  16.093   2.7552  8.2711   2.3454  17.959  1.5701 12.773  1.9198 5.186097       2.480072  
1 1 1 -11 18  6  o 49.910  1.2082 123.200  5.9520  133.628  10.300  117.973  7.2929  51.882  2.0114 48.810  1.5137 3.071339       2.517347  
1 1 1 -11 18  7  o 52.601  1.6944 137.143  8.7971  142.189  10.204  122.534  17.363  53.526  1.9314 49.226  3.5984 4.300110       4.083957  
1 1 1 -11 18  8  o 59.558  1.8110 175.963  10.646  200.936  19.243  164.948  12.780  63.338  3.0781 57.584  2.2486 5.754215       3.811891  
1 1 1 -11 18  9  o 16.159  1.2191 12.991   1.9300  7.4289   2.8731  17.565   2.6054  11.988  2.5087 18.782  1.4158 -6.794053      2.880656  
1 1 1 -11 18  10 o 65.653  1.6688 213.762  10.814  229.432  15.221  197.789  15.367  67.876  2.2719 62.970  2.4725 4.906364       3.357777  
1 1 1 -11 18  11 o 55.132  7.6759 168.824  40.637  152.361  57.521  185.227  57.418  48.458  12.071 54.784  11.000 -6.326183      16.33167  
1 1 1 -11 19  1  o 57.447  1.4128 163.393  8.0112  159.780  11.597  166.690  11.080  56.704  2.0721 57.942  1.9373 -1.238075      2.836648  
1 1 1 -11 19  2  o ?       ?      -7.6712  1.0458  -3.5821  13.305  -7.6966  1.0490  12.332  5.4744 ?       ?      0.000000       5.474419  
1 1 1 -11 19  3  o 46.605  2.3694 108.438  10.864  110.074  15.979  107.031  14.814  46.644  3.4962 46.060  3.2799 0.5845108      4.793838  
1 1 1 -11 19  4  o 2.3911  1.1823 -2.3478  1.0269  -7.8894  1.8058  0.3006   1.2484  ?       ?      4.3837  1.8001 0.000000       1.800118  
1 1 1 -11 19  5  o 38.755  2.0655 74.863   7.8726  157.298  48.464  72.629   7.9785  51.889  9.8224 38.159  2.1268 13.72916       10.05001  
1 1 1 -11 19  6  o 36.590  1.7352 66.420   6.2668  86.978   16.559  62.983   6.7705  41.190  4.1284 35.557  1.9364 5.633087       4.559989  
1 1 1 -11 19  7  o 36.430  3.4143 67.415   12.134  59.763   20.256  71.698   15.154  33.127  6.4267 37.321  4.1858 -4.194016      7.669674  
1 1 1 -11 19  8  o 39.905  3.1938 80.584   12.474  105.488  20.890  66.782   15.551  45.056  4.7698 35.862  4.4919 9.193729       6.551980  
1 1 1 -11 19  9  o 30.701  9.3214 56.275   30.727  53.863   42.910  58.813   44.020  30.047  11.033 31.013  11.207 -0.9655876     15.72705  
1 1 1 -10 -20 1  o 9.9555  4.0509 1.9797   6.2500  5.2844   7.6106  -4.8654  10.953  12.122  4.6064 10.895  4.8925 1.227121       6.719790  
1 1 1 -10 -19 1  o 97.749  6.3277 487.841  60.724  506.746  86.098  469.131  85.656  97.998  9.0017 94.027  9.3535 3.971634       12.98147  
1 1 1 -10 -19 2  f 30.689  2.4164 46.985   7.2601  48.055   8.2473  43.301   15.304  30.994  2.7235 28.797  5.5857 2.196455       6.214265  
1 1 1 -10 -18 1  f 58.723  6.3779 176.700  36.373  178.621  51.244  174.750  51.637  57.911  9.2783 57.178  9.4816 0.7325974      13.26602  
1 1 1 -10 -18 2  o 106.188 1.5857 557.476  16.620  537.206  22.897  580.047  24.162  104.149 2.2274 108.216 2.2620 -4.067291      3.174579  
1 1 1 -10 -18 3  o 71.360  1.3254 251.645  9.3354  253.434  12.243  249.161  14.429  71.580  1.7329 70.941  2.0606 0.6389542      2.692403  
1 1 1 -10 -17 1  o 169.136 6.8103 1447.11  113.693 1490.43  160.904 1403.92  160.668 169.332 9.6672 164.070 9.9685 5.262009       13.88616  
1 1 1 -10 -17 2  o 30.412  2.1390 45.997   6.3798  38.008   7.6083  64.921   11.709  27.539  2.8398 35.996  3.3336 -8.456640      4.379143  
1 1 1 -10 -17 3  o 67.375  1.2893 224.273  8.5739  216.683  11.300  234.572  13.163  66.196  1.7295 68.857  1.9367 -2.660873      2.596521  
1 1 1 -10 -17 4  f 82.370  1.2992 335.234  10.562  330.681  14.105  341.048  15.938  81.770  1.7476 83.020  1.9450 -1.250801      2.614750  
1 1 1 -10 -17 5  o 33.267  1.2554 54.685   4.1223  53.165   4.7745  59.137   8.1706  32.794  1.4750 34.455  2.4179 -1.660591      2.832290  
1 1 1 -10 -16 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -16 2  o 184.592 2.3195 1686.05  42.261  1599.72  59.156  1776.03  60.395  179.553 3.3379 189.220 3.2337 -9.666916      4.647431  
1 1 1 -10 -16 3  f 78.966  1.2806 308.024  9.9816  307.031  13.786  309.119  14.471  78.804  1.7724 79.065  1.8543 -0.2608871     2.565108  
1 1 1 -10 -16 4  o 168.023 2.1566 1397.35  35.766  1362.67  50.119  1433.34  51.057  165.680 3.0648 169.929 3.0441 -4.248734      4.319616  
1 1 1 -10 -16 5  o 54.381  1.3187 146.114  7.0783  131.775  10.203  159.421  9.8284  51.605  2.0030 56.778  1.7537 -5.173206      2.662292  
1 1 1 -10 -16 6  o 39.908  1.6001 78.747   6.3028  77.203   6.3923  132.718  37.798  39.513  1.6390 50.206  7.8875 -10.69321      8.055997  
1 1 1 -10 -15 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -15 2  o 95.407  1.5597 449.641  14.687  435.717  19.807  466.650  21.892  93.880  2.1375 97.143  2.2831 -3.263428      3.127573  
1 1 1 -10 -15 3  o 92.716  1.4197 424.629  12.992  416.600  18.268  432.845  18.481  91.793  2.0163 93.567  2.0011 -1.773880      2.840748  
1 1 1 -10 -15 4  o 197.195 2.4673 1925.35  48.023  1904.61  67.635  1946.44  68.199  195.808 3.4995 197.950 3.4905 -2.141983      4.942699  
1 1 1 -10 -15 5  o 8.3710  3.3374 1.7482   4.1490  -0.4438  4.7066  9.3892   8.7876  7.8182  3.3667 14.449  5.0276 -6.630660      6.050776  
1 1 1 -10 -15 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -15 7  o 75.437  6.2705 290.408  46.266  281.674  65.309  299.206  65.553  72.896  9.2879 75.312  8.9966 -2.416428      12.93073  
1 1 1 -10 -14 1  o 216.110 8.4272 2349.05  179.760 2410.76  311.575 2318.26  220.081 214.340 14.818 213.620 10.438 0.7201691      18.12544  
1 1 1 -10 -14 2  o 101.774 1.5094 511.536  15.162  508.409  21.630  514.558  21.260  101.426 2.1606 102.040 2.1108 -0.6147690     3.020574  
1 1 1 -10 -14 3  o 97.578  1.4897 470.271  14.347  457.229  19.593  485.350  21.068  96.180  2.0638 99.087  2.1541 -2.906883      2.983218  
1 1 1 -10 -14 4  o 96.946  1.4134 464.233  13.525  456.339  18.332  473.660  20.034  96.083  1.9330 97.877  2.0737 -1.794708      2.834938  
1 1 1 -10 -14 5  o 12.575  3.3460 8.1244   4.2260  9.8676   5.3270  5.1643   6.9415  13.869  3.7855 11.786  4.4168 2.082924       5.817064  
1 1 1 -10 -14 6  o 119.963 1.5786 711.240  18.692  714.599  26.030  707.664  26.859  120.166 2.1946 119.569 2.2758 0.5968857      3.161571  
1 1 1 -10 -14 7  o 67.113  1.1335 222.461  7.5083  230.642  9.0864  204.849  13.332  68.325  1.3474 64.341  2.0993 3.984100       2.494439  
1 1 1 -10 -14 8  f 87.338  6.3294 388.619  54.193  387.812  76.494  389.433  76.786  85.806  9.1741 85.977  9.1907 -0.1711426     12.98589  
1 1 1 -10 -13 1  o 103.001 6.1935 530.179  62.674  527.907  88.569  532.456  88.698  102.115 8.8757 102.566 8.8481 -0.4507751     12.53264  
1 1 1 -10 -13 2  o 241.124 2.9450 2875.69  70.090  2818.24  98.900  2933.65  99.345  238.431 4.2024 243.281 4.1372 -4.849884      5.897195  
1 1 1 -10 -13 3  o 71.091  1.2388 249.532  8.6929  263.743  12.969  237.936  11.714  73.070  1.7981 69.406  1.7100 3.663742       2.481376  
1 1 1 -10 -13 4  o 122.602 1.7355 742.584  21.001  724.393  29.204  762.067  30.223  121.030 2.4447 124.135 2.4666 -3.104988      3.472851  
1 1 1 -10 -13 5  o 53.843  1.1240 143.148  5.9734  128.664  7.6440  165.866  9.5733  51.035  1.5175 57.940  1.6740 -6.904514      2.259408  
1 1 1 -10 -13 6  o 120.260 1.5750 714.634  18.696  666.611  25.929  766.637  26.982  116.073 2.2632 124.487 2.1959 -8.413490      3.153421  
1 1 1 -10 -13 7  o 80.536  2.2912 321.035  18.213  244.195  62.670  328.124  19.035  68.060  9.5953 81.412  2.3688 -13.35262      9.883366  
1 1 1 -10 -13 8  o 71.590  1.1741 253.139  8.2965  250.277  12.975  255.118  10.791  71.141  1.8478 71.849  1.5216 -0.7081451     2.393635  
1 1 1 -10 -12 1  o 169.533 6.7037 1432.13  112.177 1402.48  158.557 1461.84  158.729 166.645 9.6814 170.222 9.4849 -3.577820      13.55335  
1 1 1 -10 -12 2  o 246.390 3.3008 3003.44  80.274  3049.02  100.839 2924.58  132.639 248.083 4.1181 242.593 5.5394 5.490097       6.902410  
1 1 1 -10 -12 3  o 208.518 2.6071 2149.37  53.658  2120.18  74.330  2181.13  77.540  206.934 3.6391 209.868 3.7432 -2.933670      5.220637  
1 1 1 -10 -12 4  o 38.399  1.5060 72.814   5.7080  83.255   7.8784  61.279   8.2812  41.051  1.9444 35.127  2.4029 5.923683       3.091031  
1 1 1 -10 -12 5  o 48.672  1.2575 116.972  6.0410  115.609  8.2476  118.549  8.8731  48.376  1.7273 48.984  1.8352 -0.6082230     2.520229  
1 1 1 -10 -12 6  o 125.869 1.7396 782.839  21.613  783.236  30.318  782.429  30.817  125.826 2.4412 125.756 2.4828 0.6999969E-01  3.481896  
1 1 1 -10 -12 7  o 97.312  1.3374 467.753  12.846  438.770  17.361  502.820  19.096  94.210  1.8670 100.847 1.9184 -6.637222      2.676947  
1 1 1 -10 -12 8  o 15.732  5.6869 10.407   11.336  15.819   17.011  6.0827   15.204  19.252  6.9654 15.814  6.3595 3.438225       9.431863  
1 1 1 -10 -12 9  o 61.783  1.5117 188.638  9.2190  188.815  9.2889  177.026  75.285  61.812  1.5225 55.860  13.748 5.951286       13.83160  
1 1 1 -10 -11 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -11 2  o 57.733  1.5875 164.582  9.0466  151.307  11.161  190.004  15.446  55.347  2.0431 62.007  2.5237 -6.660847      3.247051  
1 1 1 -10 -11 3  o 64.066  1.1111 202.620  7.0260  206.954  9.8711  198.169  10.003  64.740  1.5448 63.350  1.5997 1.390217       2.223808  
1 1 1 -10 -11 4  o 117.269 1.5553 679.075  18.002  682.259  25.398  675.860  25.520  117.510 2.1897 116.956 2.2107 0.5535889      3.111588  
1 1 1 -10 -11 5  o 146.455 2.3024 1060.09  33.283  1069.49  40.837  1041.50  57.441  147.051 2.8135 144.951 4.0148 2.099960       4.902530  
1 1 1 -10 -11 6  o 151.201 1.9212 1129.65  28.672  1102.64  40.524  1156.73  40.572  149.286 2.7502 152.913 2.6881 -3.626129      3.845715  
1 1 1 -10 -11 7  o 100.315 1.5632 497.126  15.478  496.485  19.255  498.298  26.020  100.222 1.9464 100.341 2.6272 -0.1189728     3.269641  
1 1 1 -10 -11 8  o 60.597  1.0105 181.313  6.0439  174.548  7.7998  191.480  9.5614  59.445  1.3293 62.252  1.5561 -2.806492      2.046598  
1 1 1 -10 -11 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -11 10 o 55.222  1.7095 150.757  9.3179  145.460  47.326  150.970  9.5039  52.208  9.5354 55.259  1.7425 -3.051449      9.693340  
1 1 1 -10 -10 1  o 137.401 6.3766 938.914  86.479  969.747  122.354 908.136  122.245 138.841 8.9763 134.251 9.2823 4.590012       12.91257  
1 1 1 -10 -10 2  o 83.788  1.7552 346.677  14.516  300.621  19.960  398.383  21.149  77.996  2.5927 89.796  2.3861 -11.79987      3.523567  
1 1 1 -10 -10 3  o 139.941 2.4829 967.690  34.296  907.776  123.895 972.662  35.690  134.115 9.4190 140.294 2.5774 -6.178238      9.765237  
1 1 1 -10 -10 4  o 52.510  1.1194 136.116  5.8020  139.295  7.9873  132.564  8.4422  53.114  1.5236 51.812  1.6508 1.301487       2.246402  
1 1 1 -10 -10 5  o 39.496  1.0644 77.004   4.1493  83.706   5.8830  70.371   5.8530  41.174  1.4476 37.750  1.5708 3.423626       2.136132  
1 1 1 -10 -10 6  o 132.507 2.1257 867.602  27.802  884.296  34.068  834.322  48.102  133.736 2.5809 129.770 3.7554 3.966507       4.556748  
1 1 1 -10 -10 7  o 211.005 2.6004 2202.33  54.159  2229.60  76.640  2175.12  76.546  212.070 3.6613 209.452 3.7026 2.617416       5.207156  
1 1 1 -10 -10 8  o 103.410 1.3869 528.174  14.156  502.319  20.163  553.309  19.880  100.801 2.0266 105.804 1.9037 -5.003250      2.780452  
1 1 1 -10 -10 9  o 55.636  1.0400 152.844  5.7111  154.773  7.9269  150.761  8.2354  55.972  1.4348 55.239  1.5104 0.7331619      2.083296  
1 1 1 -10 -10 10 f 105.798 2.7267 554.613  28.474  403.146  88.397  572.148  30.077  87.339  10.462 107.440 2.8361 -20.10084      10.83990  
1 1 1 -10 -10 11 o 50.596  1.3250 126.471  6.6170  127.009  6.6982  104.684  42.634  50.703  1.3384 43.937  10.049 6.765213       10.13772  
1 1 1 -10 -9  1  o 74.207  5.9598 275.239  43.285  300.232  61.230  250.272  61.198  77.117  8.1685 70.140  9.0507 6.976387       12.19181  
1 1 1 -10 -9  2  o 216.711 8.3596 2347.85  178.812 2379.86  218.975 2283.79  309.784 217.503 10.200 210.283 15.024 7.219925       18.15939  
1 1 1 -10 -9  3  o 96.365  1.3562 458.448  12.899  445.630  18.241  471.269  18.243  94.990  1.9455 97.686  1.8921 -2.696274      2.713863  
1 1 1 -10 -9  4  o 21.784  6.2080 24.174   13.996  26.185   20.152  22.299   19.454  23.329  7.6135 21.998  7.4875 1.331530       10.67836  
1 1 1 -10 -9  5  o 182.996 2.2880 1654.52  41.327  1625.88  58.458  1683.13  58.433  181.300 3.2667 184.471 3.2092 -3.171478      4.579340  
1 1 1 -10 -9  6  o 57.734  1.0168 164.542  5.7943  157.015  8.5243  171.007  7.8999  56.389  1.5315 58.852  1.3600 -2.462345      2.048203  
1 1 1 -10 -9  7  o 61.692  1.1158 187.895  6.7945  176.847  9.0510  202.158  10.284  59.841  1.5324 63.978  1.6286 -4.136585      2.236179  
1 1 1 -10 -9  8  o 105.666 1.3830 551.400  14.424  558.416  20.435  544.433  20.364  106.301 1.9476 104.961 1.9656 1.340591       2.767069  
1 1 1 -10 -9  9  o 66.265  1.0625 216.811  6.9492  201.839  9.4486  234.452  10.256  63.920  1.4976 68.890  1.5084 -4.970219      2.125548  
1 1 1 -10 -9  10 o 160.409 2.1564 1272.87  34.142  1275.16  48.304  1270.58  48.263  160.364 3.0517 160.075 3.0546 0.2890167      4.317852  
1 1 1 -10 -9  11 o 48.142  1.0747 114.452  5.1068  110.821  6.8709  118.933  7.6332  47.359  1.4699 49.057  1.5764 -1.698406      2.155360  
1 1 1 -10 -8  1  o 50.337  6.0607 127.621  29.507  123.989  41.721  131.257  41.738  49.050  8.9472 50.558  8.6764 -1.508533      12.46323  
1 1 1 -10 -8  2  o 30.054  6.3810 46.587   18.344  48.824   25.761  44.286   26.128  30.750  8.2961 29.451  8.5097 1.299797       11.88444  
1 1 1 -10 -8  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -8  4  o 126.521 1.6754 790.424  20.923  792.235  29.627  788.622  29.553  126.632 2.3703 126.343 2.3698 0.2890701      3.351786  
1 1 1 -10 -8  5  o 170.518 6.7126 1447.84  112.979 1460.69  159.795 1435.00  159.757 170.248 9.5478 168.708 9.6338 1.540009       13.56356  
1 1 1 -10 -8  6  f 150.649 1.8859 1120.91  28.043  1140.90  39.762  1101.13  39.558  151.930 2.6515 149.255 2.6851 2.674713       3.773649  
1 1 1 -10 -8  7  o 91.052  1.3214 409.323  11.876  401.840  16.885  416.650  16.707  90.195  1.8966 91.844  1.8429 -1.649345      2.644507  
1 1 1 -10 -8  8  o 168.309 2.1162 1399.90  35.156  1390.16  49.797  1409.57  49.640  167.608 3.0100 168.779 2.9798 -1.170609      4.235487  
1 1 1 -10 -8  9  o 15.287  2.7892 11.927   4.0536  16.388   5.8738  7.8715   5.6011  17.883  3.4527 12.685  4.0021 5.197698       5.285663  
1 1 1 -10 -8  10 o 54.551  1.0795 146.940  5.8122  140.140  8.2134  153.761  8.2260  53.258  1.5624 55.789  1.4939 -2.530983      2.161670  
1 1 1 -10 -8  11 o 88.365  1.3159 385.703  11.477  392.533  16.096  378.639  16.369  89.107  1.8301 87.510  1.8951 1.596626       2.634526  
1 1 1 -10 -8  12 o 37.192  1.2284 68.324   4.5094  67.584   5.4128  70.002   8.1525  36.983  1.4828 37.546  2.2096 -0.5627403     2.661060  
1 1 1 -10 -7  1  o 148.592 6.4577 1097.06  94.712  1106.86  133.932 1087.25  133.953 148.473 9.1842 147.123 9.2719 1.349503       13.05058  
1 1 1 -10 -7  2  o 40.777  6.0755 84.354   23.706  93.478   33.612  75.324   33.440  42.561  8.2993 38.053  9.0375 4.508415       12.27004  
1 1 1 -10 -7  3  f 203.833 7.0587 2068.51  142.015 2092.09  200.861 2044.95  200.819 204.108 9.9702 201.755 10.084 2.352463       14.18090  
1 1 1 -10 -7  4  o 155.316 6.5436 1199.82  100.315 1171.00  141.806 1228.69  141.928 152.515 9.4667 156.312 9.2401 -3.796600      13.22864  
1 1 1 -10 -7  5  o 175.809 2.9698 1527.95  51.536  1502.07  72.650  1554.17  73.117  174.164 4.2261 177.165 4.1812 -3.000961      5.945004  
1 1 1 -10 -7  6  o 191.262 3.1952 1809.07  60.320  1819.74  63.873  1721.10  183.396 191.803 3.3739 184.598 10.104 7.204941       10.65214  
1 1 1 -10 -7  7  o 33.952  1.0953 56.906   3.6706  58.355   5.2959  55.566   5.0921  34.377  1.5608 33.546  1.5379 0.8312607      2.191119  
1 1 1 -10 -7  8  o 118.996 1.5637 699.266  18.367  724.704  26.441  675.548  25.531  121.103 2.2121 116.924 2.2123 4.179268       3.128469  
1 1 1 -10 -7  9  o 172.057 2.1672 1463.20  36.806  1427.52  52.061  1498.86  52.041  169.812 3.1061 174.016 3.0299 -4.204544      4.339078  
1 1 1 -10 -7  10 o 59.104  1.1567 172.495  6.7478  168.164  9.5343  176.842  9.5513  58.341  1.6557 59.829  1.6174 -1.487995      2.314595  
1 1 1 -10 -7  11 o 49.748  1.0894 122.210  5.3492  119.903  7.2338  124.994  7.9463  49.264  1.4877 50.295  1.6007 -1.030769      2.185253  
1 1 1 -10 -7  12 o 113.017 1.5596 631.178  17.398  642.974  24.593  619.359  24.617  113.998 2.1856 111.879 2.2292 2.118729       3.121897  
1 1 1 -10 -7  13 o 125.407 1.7704 777.617  21.914  779.150  30.655  776.015  31.338  125.418 2.4763 125.154 2.5369 0.2639694      3.545093  
1 1 1 -10 -6  1  o 222.928 3.6257 2457.52  79.780  2396.71  112.904 2518.15  112.748 219.923 5.2012 225.449 5.0667 -5.526337      7.261148  
1 1 1 -10 -6  2  o 381.116 9.6016 7276.34  361.189 7271.95  510.798 7280.73  510.798 378.115 13.686 378.350 13.678 -0.2351074     19.34960  
1 1 1 -10 -6  3  o 52.648  6.0120 139.395  30.681  139.965  43.473  138.830  43.308  52.236  8.7406 52.017  8.7453 0.2185936      12.36445  
1 1 1 -10 -6  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -6  5  o 199.591 7.0225 1983.76  138.346 1924.01  195.574 2043.61  195.728 195.353 10.178 201.715 9.8306 -6.362137      14.15035  
1 1 1 -10 -6  6  o 54.894  6.0869 151.572  32.425  151.227  45.781  151.919  45.933  54.280  8.8499 54.405  8.8584 -0.1249390     12.52172  
1 1 1 -10 -6  7  o 33.037  6.3963 56.138   20.104  57.925   28.511  54.371   28.352  33.381  8.6003 32.386  8.6890 0.9945946      12.22549  
1 1 1 -10 -6  8  o 84.455  1.6903 352.247  14.091  357.223  20.037  347.378  19.819  85.022  2.3876 83.842  2.3949 1.180069       3.381782  
1 1 1 -10 -6  9  o 75.158  1.2860 278.904  9.5403  282.717  12.096  272.629  15.519  75.660  1.6197 74.278  2.1167 1.381462       2.665329  
1 1 1 -10 -6  10 o 202.533 2.5068 2028.86  50.113  1962.36  70.809  2095.60  70.932  198.952 3.6058 205.624 3.4949 -6.671494      5.021585  
1 1 1 -10 -6  11 o 71.795  1.1242 254.525  7.9665  239.258  10.926  271.850  11.640  69.589  1.5908 74.177  1.5898 -4.588402      2.249010  
1 1 1 -10 -6  12 o 35.331  1.4105 61.667   4.9189  59.312   6.4677  64.899   7.5757  34.583  1.9020 36.159  2.1321 -1.575417      2.857190  
1 1 1 -10 -6  13 o 53.948  1.2073 143.751  6.4287  142.511  8.4734  145.432  9.8685  53.699  1.5987 54.234  1.8435 -0.5348396     2.440147  
1 1 1 -10 -5  1  o 34.968  1.0127 60.355   3.4952  62.604   4.2334  55.539   6.1946  35.613  1.2043 33.485  1.8819 2.127586       2.234256  
1 1 1 -10 -5  2  o 172.190 2.1200 1464.27  36.031  1486.40  51.010  1442.24  50.903  173.428 2.9799 170.829 3.0189 2.598328       4.241868  
1 1 1 -10 -5  3  o 290.947 4.4841 4191.60  128.772 4220.42  182.318 4162.92  181.904 291.462 6.3374 289.461 6.3668 2.001251       8.983264  
1 1 1 -10 -5  4  o 271.337 7.3003 3666.96  195.516 0.0000   0.0000  3666.96  195.516 ?       ?      271.337 7.3003 0.000000       7.300261  
1 1 1 -10 -5  5  o 52.551  6.0882 138.999  30.994  141.778  43.913  136.240  43.753  52.559  8.7740 51.463  8.9378 1.095585       12.52470  
1 1 1 -10 -5  6  o 22.170  6.1827 25.127   14.039  24.749   19.960  25.498   19.750  22.859  7.5829 23.055  7.5379 -0.1959896     10.69206  
1 1 1 -10 -5  7  o 18.037  5.9216 15.473   12.184  17.270   17.662  13.841   16.829  20.034  7.1149 18.750  6.9060 1.283501       9.915376  
1 1 1 -10 -5  8  o 157.312 9.4673 1249.20  146.317 1225.38  206.667 1273.14  207.181 153.922 13.748 157.040 13.497 -3.118225      19.26592  
1 1 1 -10 -5  9  o 77.001  6.1308 297.180  46.210  282.644  65.421  311.654  65.280  74.392  9.0992 78.305  8.5870 -3.912315      12.51128  
1 1 1 -10 -5  10 f 53.749  6.1836 146.096  32.208  144.307  45.591  147.878  45.507  52.709  9.0915 53.410  8.9487 -0.7008820     12.75681  
1 1 1 -10 -5  11 o 146.777 6.5564 1081.21  94.985  1011.32  134.210 1151.34  134.448 140.246 9.7560 150.052 9.1210 -9.806152      13.35567  
1 1 1 -10 -5  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -5  13 f 49.217  6.4810 124.149  30.719  115.872  43.912  132.082  42.989  46.481  9.8761 49.984  9.0464 -3.503563      13.39308  
1 1 1 -10 -5  14 o 65.995  6.2188 221.724  40.031  211.240  56.989  231.935  56.244  63.183  9.4264 66.541  8.7777 -3.357967      12.88045  
1 1 1 -10 -4  1  o 152.653 2.0388 1150.66  30.720  1124.20  45.545  1172.75  41.610  150.836 3.0591 154.077 2.7360 -3.241501      4.104172  
1 1 1 -10 -4  2  o 183.522 2.3835 1663.56  43.176  1634.09  63.984  1688.19  58.504  181.796 3.5658 184.814 3.2071 -3.017578      4.795866  
1 1 1 -10 -4  3  o 243.745 3.2075 2936.90  77.168  2847.34  120.841 2998.57  100.276 239.698 5.1076 246.159 4.1272 -6.460770      6.566673  
1 1 1 -10 -4  4  o 153.462 1.9726 1163.04  29.879  1158.11  42.248  1167.97  42.263  153.086 2.7960 153.737 2.7851 -0.6506348     3.946463  
1 1 1 -10 -4  5  o 86.627  1.2289 370.444  10.508  376.217  14.879  364.702  14.841  87.288  1.7270 85.941  1.7496 1.346802       2.458362  
1 1 1 -10 -4  6  o 230.890 2.8108 2634.76  64.058  2684.50  90.694  2585.23  90.490  232.896 3.9453 228.539 4.0115 4.357635       5.626527  
1 1 1 -10 -4  7  o 55.350  1.0642 151.227  5.8138  156.072  8.4670  146.904  7.9972  56.223  1.5257 54.547  1.4854 1.675610       2.129352  
1 1 1 -10 -4  8  o 69.081  1.5518 235.636  10.581  241.269  57.676  235.440  10.764  68.869  8.6775 69.052  1.5793 -0.1832352     8.820010  
1 1 1 -10 -4  9  o 108.691 1.4622 583.318  15.687  584.290  22.348  582.373  22.025  108.754 2.0819 108.577 2.0552 0.1771927      2.925412  
1 1 1 -10 -4  10 o 138.029 1.7841 941.079  24.306  931.938  34.565  950.019  34.185  137.293 2.5507 138.624 2.4985 -1.330566      3.570477  
1 1 1 -10 -4  11 o 173.363 2.1647 1485.70  37.042  1518.22  52.639  1453.80  52.134  175.109 3.0456 171.347 3.0826 3.762329       4.333327  
1 1 1 -10 -4  12 o 75.258  1.1919 279.692  8.8534  280.340  12.727  279.084  12.324  75.319  1.7120 75.153  1.6613 0.1660690      2.385555  
1 1 1 -10 -4  13 o 44.215  1.2667 96.561   5.5282  98.264   7.8302  94.868   7.8061  44.585  1.7793 43.807  1.8053 0.7783546      2.534785  
1 1 1 -10 -4  14 o 129.194 1.7608 825.179  22.454  791.097  31.468  860.533  32.049  126.382 2.5226 131.822 2.4632 -5.440659      3.525708  
1 1 1 -10 -3  1  o 187.603 2.5783 1738.36  47.743  1725.26  67.435  1751.52  67.602  186.818 3.6570 188.236 3.6385 -1.417526      5.158757  
1 1 1 -10 -3  2  o 118.645 1.7274 694.990  20.230  696.199  28.716  693.798  28.503  118.723 2.4505 118.519 2.4365 0.2043381      3.455665  
1 1 1 -10 -3  3  o 124.254 1.6605 762.274  20.364  802.182  30.062  728.432  27.684  127.437 2.3900 121.441 2.3096 5.995743       3.323559  
1 1 1 -10 -3  4  o 74.301  1.1570 272.517  8.4852  268.829  12.091  276.095  11.911  73.788  1.6601 74.780  1.6137 -0.9914856     2.315172  
1 1 1 -10 -3  5  o 89.423  1.4102 394.775  12.447  416.724  19.298  379.137  16.289  91.855  2.1285 87.622  1.8834 4.232872       2.842129  
1 1 1 -10 -3  6  o 80.397  1.2549 319.084  9.9581  306.537  13.846  332.527  14.332  78.789  1.7805 82.061  1.7695 -3.272484      2.510178  
1 1 1 -10 -3  7  o 199.899 2.4940 1974.39  49.209  1969.51  69.663  1979.25  69.521  199.534 3.5371 200.029 3.5212 -0.4950104     4.991007  
1 1 1 -10 -3  8  f 64.535  1.1025 205.590  7.0228  201.449  9.9387  209.719  9.9246  63.874  1.5764 65.172  1.5428 -1.298527      2.205777  
1 1 1 -10 -3  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 -3  10 o 214.086 2.6713 2266.07  56.447  2289.66  79.897  2242.55  79.758  215.004 3.7649 212.774 3.7977 2.229904       5.347612  
1 1 1 -10 -3  11 o 34.846  1.3358 59.960   4.5943  60.140   6.1307  59.729   6.9387  34.845  1.7885 34.707  2.0344 0.1384506      2.708805  
1 1 1 -10 -3  12 o 179.829 2.2874 1599.35  40.600  1591.62  57.481  1607.05  57.354  179.200 3.2498 180.072 3.2269 -0.8716278     4.579726  
1 1 1 -10 -3  13 o 45.453  1.1904 102.030  5.3406  97.770   7.1316  107.470  8.0585  44.480  1.6244 46.630  1.7509 -2.149384      2.388350  
1 1 1 -10 -3  14 o 82.143  1.3220 333.319  10.719  343.384  14.803  322.224  15.542  83.340  1.7995 80.719  1.9507 2.621056       2.653934  
1 1 1 -10 -3  15 o 157.416 2.1004 1226.29  32.634  1205.19  45.896  1247.88  46.412  155.838 2.9838 158.579 2.9652 -2.741837      4.206605  
1 1 1 -10 -2  1  o 164.355 2.2505 1333.92  36.508  1322.84  49.504  1347.13  54.056  163.630 3.0651 165.109 3.3169 -1.479980      4.516311  
1 1 1 -10 -2  2  o 142.369 1.9178 1000.80  26.950  1044.31  40.274  965.528  36.266  145.390 2.8065 139.808 2.6281 5.582214       3.844879  
1 1 1 -10 -2  3  o 122.720 1.7978 743.602  21.777  765.951  30.783  721.212  30.811  124.522 2.5046 120.827 2.5835 3.694984       3.598265  
1 1 1 -10 -2  4  o 153.343 1.9363 1161.18  29.306  1156.88  41.441  1165.48  41.450  153.012 2.7439 153.580 2.7343 -0.5687256     3.873719  
1 1 1 -10 -2  5  o 217.088 3.0869 2329.66  66.144  2307.62  89.011  2356.83  98.843  215.911 4.1767 218.133 4.5908 -2.221832      6.206518  
1 1 1 -10 -2  6  o 96.645  1.4097 461.126  13.448  454.439  18.143  469.280  20.033  95.927  1.9161 97.475  2.0822 -1.547935      2.829672  
1 1 1 -10 -2  7  o 128.798 1.7731 819.177  22.541  823.355  30.475  814.130  33.495  129.095 2.3916 128.355 2.6438 0.7404633      3.565085  
1 1 1 -10 -2  8  o 47.644  1.0970 112.051  5.1588  100.842  7.1322  124.350  7.4710  45.192  1.5989 50.185  1.5082 -4.993076      2.198039  
1 1 1 -10 -2  9  o 149.802 2.0565 1108.48  30.408  1076.30  43.025  1140.61  42.981  147.540 2.9545 151.892 2.8669 -4.352234      4.116786  
1 1 1 -10 -2  10 o 59.397  1.5357 174.210  9.0034  175.529  9.1645  137.693  48.234  59.620  1.5573 51.407  9.8649 8.213852       9.987031  
1 1 1 -10 -2  11 o 140.992 1.8879 982.087  26.273  987.823  37.194  976.375  37.118  141.330 2.6663 140.507 2.6764 0.8224335      3.777869  
1 1 1 -10 -2  12 o 111.726 1.5325 616.589  16.901  610.085  23.971  623.018  23.832  111.085 2.1862 112.260 2.1508 -1.174454      3.066827  
1 1 1 -10 -2  13 o 154.787 2.1479 1185.00  32.817  1149.25  46.353  1220.93  46.466  152.259 3.0844 156.954 2.9994 -4.695740      4.302263  
1 1 1 -10 -2  14 o 82.556  1.3379 336.680  10.902  320.943  15.293  352.941  15.545  80.562  1.9233 84.487  1.8641 -3.925758      2.678415  
1 1 1 -10 -2  15 o 31.154  1.7629 48.141   5.3987  51.877   7.6929  44.516   7.5784  32.274  2.4328 29.862  2.5970 2.412361       3.558479  
1 1 1 -10 -1  1  o 51.671  1.0833 131.779  5.5251  146.938  7.8290  116.740  7.7983  54.559  1.4538 48.629  1.6247 5.929962       2.180202  
1 1 1 -10 -1  2  o 158.045 2.2926 1233.57  35.764  1233.17  48.237  1234.06  53.295  157.975 3.0936 158.011 3.4172 -0.3515625E-01 4.609486  
1 1 1 -10 -1  3  o 80.949  1.2452 323.460  9.9488  308.338  13.996  338.905  14.145  79.024  1.7944 82.850  1.7297 -3.825798      2.492308  
1 1 1 -10 -1  4  o 105.883 1.4801 553.490  15.468  528.531  22.908  574.404  20.970  103.445 2.2436 107.850 1.9699 -4.405746      2.985720  
1 1 1 -10 -1  5  o 98.733  1.5414 481.285  15.021  495.925  21.149  466.381  21.339  100.204 2.1383 97.170  2.2249 3.033783       3.085828  
1 1 1 -10 -1  6  o 232.047 3.1167 2662.05  71.386  2645.24  100.658 2679.05  101.254 231.110 4.4126 232.583 4.4106 -1.472748      6.238960  
1 1 1 -10 -1  7  o 119.343 1.7155 703.300  20.208  696.830  31.709  707.725  26.224  118.744 2.7054 119.696 2.2196 -0.9516068     3.499447  
1 1 1 -10 -1  8  f 96.677  1.3958 461.437  13.319  481.298  19.274  443.284  18.426  98.716  1.9781 94.738  1.9705 3.978310       2.792077  
1 1 1 -10 -1  9  o 192.007 2.7235 1822.28  51.615  1818.06  69.820  1827.35  76.646  191.659 3.6908 192.093 4.0424 -0.4340668     5.473838  
1 1 1 -10 -1  10 o 102.579 1.4409 519.558  14.589  537.081  20.823  502.662  20.446  104.270 2.0232 100.872 2.0535 3.397850       2.882780  
1 1 1 -10 -1  11 o 57.416  1.1579 162.755  6.5621  163.695  9.5673  161.919  9.0174  57.570  1.6837 57.259  1.5955 0.3108902      2.319588  
1 1 1 -10 -1  12 o 42.981  1.3242 91.227   5.6176  84.158   7.7279  99.147   8.1804  41.269  1.8972 44.795  1.8502 -3.525917      2.649970  
1 1 1 -10 -1  13 o 35.029  1.6498 60.628   5.7042  62.660   7.4485  57.747   8.8703  35.533  2.1337 34.050  2.6604 1.482502       3.410304  
1 1 1 -10 -1  14 o 152.459 2.0296 1149.64  30.542  1138.54  43.215  1160.72  43.171  151.550 2.8890 153.027 2.8582 -1.476578      4.063891  
1 1 1 -10 -1  15 o 97.048  1.4983 465.418  14.352  472.725  20.096  457.813  20.505  97.747  2.0830 96.184  2.1598 1.563171       3.000586  
1 1 1 -10 0   1  o 87.109  2.3341 374.721  20.069  364.708  20.768  515.898  77.986  85.935  2.4485 101.585 7.8384 -15.64997      8.211912  
1 1 1 -10 0   2  o 239.908 3.2731 2844.43  77.507  2922.05  104.611 2749.96  115.406 243.028 4.3610 235.678 4.9611 7.350449       6.605357  
1 1 1 -10 0   3  o 125.534 1.6966 778.049  21.023  780.397  28.622  775.298  30.979  125.701 2.3069 125.281 2.5052 0.4199905      3.405551  
1 1 1 -10 0   4  o 61.326  1.1189 185.641  6.7728  181.349  9.6187  189.861  9.5382  60.606  1.6079 62.013  1.5583 -1.406708      2.239143  
1 1 1 -10 0   5  o 227.482 3.3613 2558.89  75.473  2502.06  121.356 2594.73  96.380  224.578 5.4747 228.933 4.2652 -4.354645      6.940089  
1 1 1 -10 0   6  o 61.193  1.2375 184.851  7.4745  180.742  11.859  187.560  9.6275  60.495  1.9861 61.634  1.5826 -1.138577      2.539478  
1 1 1 -10 0   7  o 240.258 3.0025 2853.65  71.201  2848.65  105.540 2857.83  96.460  239.801 4.4590 240.262 4.0675 -0.4617767     6.035463  
1 1 1 -10 0   8  o 161.429 2.0661 1287.15  32.920  1299.20  47.226  1275.76  45.914  162.111 2.9514 160.648 2.8956 1.463852       4.134636  
1 1 1 -10 0   9  o 108.569 1.6606 582.062  17.795  583.708  25.071  580.390  25.262  108.692 2.3370 108.381 2.3615 0.3106308      3.322341  
1 1 1 -10 0   10 o 139.204 1.9016 957.128  26.128  954.755  36.984  959.492  36.919  138.973 2.6962 139.318 2.6848 -0.3453217     3.804900  
1 1 1 -10 0   11 o 84.377  1.8813 351.688  15.668  369.011  72.590  350.841  16.046  85.181  8.7585 84.273  1.9291 0.9077835      8.968470  
1 1 1 -10 0   12 o 10.829  3.5810 5.5205   4.4527  4.8751   6.2007  6.2077   6.3980  11.290  4.1856 12.055  4.2821 -0.7652988     5.987963  
1 1 1 -10 0   13 o 127.026 1.9534 797.607  24.491  804.806  39.924  793.263  31.012  127.431 3.1741 126.618 2.4815 0.8130112      4.028999  
1 1 1 -10 0   14 o 12.939  1.5041 8.3842   1.8851  8.2210   6.1969  8.4009   1.9789  13.045  4.2196 12.942  1.5820 0.1028576      4.506413  
1 1 1 -10 0   15 o 100.571 1.7480 500.051  17.351  477.980  21.577  540.443  29.190  98.272  2.2245 104.403 2.8327 -6.131195      3.601718  
1 1 1 -10 0   16 o 26.623  7.2079 37.385   19.406  35.506   26.958  39.406   27.957  26.611  8.8118 27.756  8.9610 -1.145037      12.56765  
1 1 1 -10 1   1  o 254.308 3.4737 3196.30  87.194  3240.12  117.708 3143.02  129.800 255.899 4.6602 251.953 5.2194 3.946136       6.997132  
1 1 1 -10 1   2  o 267.150 4.5972 3532.05  121.223 3522.20  133.055 3580.15  294.056 266.699 5.0545 267.147 11.152 -0.4482422     12.24380  
1 1 1 -10 1   3  o 81.014  1.4509 324.012  11.602  319.126  16.408  328.897  16.408  80.388  2.0679 81.610  2.0369 -1.222115      2.902646  
1 1 1 -10 1   4  f 75.301  1.3544 279.917  10.066  262.391  14.210  297.569  14.261  72.893  1.9751 77.628  1.8612 -4.735435      2.713896  
1 1 1 -10 1   5  o 107.829 1.5324 574.051  16.310  566.980  22.246  582.270  23.983  107.143 2.1035 108.572 2.2379 -1.429535      3.071359  
1 1 1 -10 1   6  o 26.682  0.8827 35.139   2.3246  43.463   3.2970  26.910   3.2781  29.673  1.1257 23.303  1.4322 6.370228       1.821634  
1 1 1 -10 1   7  o 181.597 2.5220 1629.50  45.205  1626.01  71.062  1631.86  58.587  181.239 3.9724 181.654 3.2676 -0.4147797     5.143611  
1 1 1 -10 1   8  o 213.527 3.0682 2254.38  64.665  2205.13  86.863  2315.62  96.851  211.013 4.1705 216.166 4.5393 -5.152573      6.164260  
1 1 1 -10 1   9  o 98.087  1.4914 475.044  14.439  484.169  20.033  465.180  20.830  99.004  2.0500 97.038  2.1748 1.966255       2.988681  
1 1 1 -10 1   10 o 185.317 2.4594 1697.22  44.986  1688.23  67.079  1704.57  60.647  184.666 3.6802 185.613 3.3103 -0.9467163     4.949904  
1 1 1 -10 1   11 o 92.098  1.4947 418.847  13.588  423.756  19.060  413.774  19.375  92.610  2.0852 91.510  2.1451 1.100319       2.991544  
1 1 1 -10 1   12 o 117.053 6.3539 686.865  73.135  690.912  103.296 682.796  103.561 116.477 9.0560 115.755 9.1385 0.7225342      12.86557  
1 1 1 -10 1   13 o 48.789  6.4363 121.398  30.238  125.800  43.077  117.122  42.457  48.911  9.2621 47.099  9.4611 1.811855       13.24008  
1 1 1 -10 1   14 o 129.939 6.5900 853.816  84.243  837.215  119.829 870.039  118.459 126.953 9.6347 129.635 9.3201 -2.682259      13.40493  
1 1 1 -10 1   15 o 49.640  6.4554 126.498  30.881  94.510   43.177  159.995  44.184  41.652  10.504 55.274  8.3598 -13.62127      13.42464  
1 1 1 -10 1   16 o 58.364  1.3647 168.314  7.8617  177.730  11.045  158.643  11.193  59.943  1.8667 56.624  2.0027 3.319702       2.737779  
1 1 1 -10 2   1  o 169.725 2.4830 1422.75  41.597  1415.09  62.132  1428.97  55.999  169.186 3.7206 170.042 3.3365 -0.8561249     4.997517  
1 1 1 -10 2   2  o 266.714 3.7955 3517.67  99.918  3580.41  141.308 3454.94  141.304 268.824 5.3256 264.053 5.4216 4.770813       7.599717  
1 1 1 -10 2   3  o 94.712  1.3919 442.835  13.012  435.331  18.360  450.409  18.445  93.892  1.9811 95.505  1.9567 -1.612808      2.784481  
1 1 1 -10 2   4  o 166.061 2.4936 1362.34  40.871  1355.84  57.708  1368.89  57.894  165.577 3.5310 166.373 3.5255 -0.7954712     4.989703  
1 1 1 -10 2   5  o 81.983  1.2644 331.802  10.232  351.791  14.692  312.978  14.257  84.405  1.7635 79.612  1.8144 4.793488       2.530212  
1 1 1 -10 2   6  o 92.029  1.3754 418.123  12.494  439.730  17.969  397.903  17.383  94.360  1.9294 89.759  1.9621 4.600922       2.751747  
1 1 1 -10 2   7  o 278.045 3.3572 3823.79  92.136  3800.38  130.382 3847.15  130.218 276.880 4.7708 278.588 4.7356 -1.707825      6.722103  
1 1 1 -10 2   8  o 28.393  1.1960 39.796   3.3517  40.267   3.8561  38.341   6.7784  28.559  1.3680 27.743  2.5024 0.8161182      2.851851  
1 1 1 -10 2   9  o 132.117 2.7714 862.853  36.140  848.237  47.141  883.689  56.284  130.913 3.6482 133.551 4.2698 -2.637115      5.616115  
1 1 1 -10 2   10 o 34.074  6.7599 59.898   21.932  68.923   30.967  50.814   31.068  36.335  8.7410 31.519  9.3289 4.816048       12.78407  
1 1 1 -10 2   11 f 100.550 6.2459 505.951  61.682  489.644  87.019  522.418  87.446  98.157  9.0847 101.497 8.8164 -3.339439      12.65935  
1 1 1 -10 2   12 o 187.219 6.9621 1756.17  128.654 1743.92  181.744 1768.48  182.146 184.855 9.9980 186.186 9.9475 -1.331268      14.10367  
1 1 1 -10 2   13 o 13.119  1.1306 8.5612   1.4497  8.6544   1.4573  -0.2662  14.177  13.191  1.1302 13.775  5.8853 -0.5844145     5.992848  
1 1 1 -10 2   14 o 88.115  1.4446 383.582  12.564  391.973  18.133  375.832  17.426  89.025  2.0636 87.176  2.0251 1.848732       2.891280  
1 1 1 -10 2   15 o 71.737  1.3872 254.262  9.8223  241.908  13.640  267.570  14.156  69.931  1.9761 73.549  1.9500 -3.617897      2.776223  
1 1 1 -10 2   16 o 95.143  1.5499 447.440  14.555  454.559  20.599  440.342  20.568  95.825  2.1779 94.310  2.2096 1.514679       3.102509  
1 1 1 -10 3   1  o 61.696  1.3461 187.896  8.1971  197.112  11.702  179.018  11.486  63.183  1.8764 60.213  1.9326 2.970680       2.693661  
1 1 1 -10 3   2  o 43.981  0.9813 95.477   4.2601  100.432  5.8842  90.020   6.1758  45.105  1.3217 42.702  1.4653 2.403225       1.973281  
1 1 1 -10 3   3  o 164.281 3.1656 1334.04  51.331  0.0000   0.0000  1334.04  51.331  ?       ?      164.281 3.1656 0.000000       3.165612  
1 1 1 -10 3   4  o 87.055  1.4856 374.163  12.766  376.289  17.338  371.646  18.865  87.288  2.0124 86.742  2.2034 0.5462494      2.984074  
1 1 1 -10 3   5  o 51.401  1.1473 130.425  5.8207  122.950  8.3334  137.546  8.1336  49.900  1.6920 52.781  1.5613 -2.881027      2.302237  
1 1 1 -10 3   6  o 40.695  1.2817 81.757   5.1484  90.289   5.9930  57.725   10.058  42.764  1.4198 34.036  3.0255 8.727932       3.342078  
1 1 1 -10 3   7  o 66.003  6.1500 218.473  39.604  228.656  56.041  208.313  55.976  67.028  8.6742 63.817  9.1483 3.211044       12.60686  
1 1 1 -10 3   8  o 138.629 6.4160 956.671  87.792  974.987  124.072 938.305  124.241 139.069 9.0888 136.354 9.2867 2.715271       12.99415  
1 1 1 -10 3   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 3   10 o 106.811 2.9041 564.168  30.617  524.560  89.284  569.446  32.593  101.749 8.9824 107.296 3.0776 -5.547546      9.495000  
1 1 1 -10 3   11 o 30.551  1.3848 46.085   4.1758  50.562   8.5395  44.678   4.7871  31.859  2.7423 30.034  1.6208 1.825022       3.185504  
1 1 1 -10 3   12 o 132.580 1.8567 868.416  24.297  866.339  35.252  870.295  33.534  132.341 2.6987 132.658 2.5611 -0.3168335     3.720529  
1 1 1 -10 3   13 o 131.614 1.8350 856.020  23.838  867.531  33.849  844.694  33.576  132.409 2.5900 130.653 2.6036 1.756241       3.672441  
1 1 1 -10 3   14 o 90.293  1.5248 402.825  13.590  387.354  18.959  419.175  19.490  88.489  2.1706 92.055  2.1450 -3.565430      3.051651  
1 1 1 -10 3   15 o 177.258 2.4200 1556.11  42.340  1540.75  57.757  1573.97  62.250  176.107 3.3227 177.915 3.5448 -1.807388      4.858606  
1 1 1 -10 3   16 o 65.094  1.4398 209.402  9.2509  208.369  12.941  210.481  13.230  64.891  2.0204 65.216  2.0553 -0.3250656     2.882041  
1 1 1 -10 3   17 o 55.122  1.5364 150.220  8.3591  155.791  11.618  144.242  12.036  56.091  2.0986 53.958  2.2598 2.133472       3.083962  
1 1 1 -10 4   1  f 66.391  1.2669 217.583  8.3018  204.906  11.608  230.854  11.878  64.420  1.8256 68.378  1.7598 -3.958542      2.535733  
1 1 1 -10 4   2  o 126.902 1.9497 795.250  24.422  792.828  34.357  797.723  34.721  126.672 2.7479 127.061 2.7685 -0.3892670     3.900730  
1 1 1 -10 4   3  o 134.835 2.6949 898.352  35.866  917.745  46.457  869.741  56.429  136.229 3.4550 132.544 4.3133 3.685425       5.526449  
1 1 1 -10 4   4  o 82.417  6.1322 339.343  49.527  339.091  69.917  339.596  70.168  81.866  8.7901 81.922  8.8166 -0.5529785E-01 12.44984  
1 1 1 -10 4   5  o 20.124  6.4936 19.567   14.683  18.218   21.332  20.781   20.239  21.269  7.7840 21.719  7.6259 -0.4493980     10.89706  
1 1 1 -10 4   6  o 114.822 6.3045 657.804  71.177  639.370  100.580 676.296  100.740 112.526 9.1346 115.821 8.8798 -3.294373      12.73936  
1 1 1 -10 4   7  o 63.328  7.4080 202.827  45.430  197.656  79.147  205.367  55.480  61.016  13.500 63.340  9.1386 -2.323734      16.30187  
1 1 1 -10 4   8  o 37.156  2.8176 68.641   10.256  70.490   15.534  67.212   13.657  37.478  4.2757 36.647  3.8321 0.8306084      5.741661  
1 1 1 -10 4   9  o 121.557 1.7861 729.759  21.429  696.940  30.396  762.189  30.216  118.744 2.5934 124.188 2.4650 -5.443443      3.578033  
1 1 1 -10 4   10 o 105.766 1.6478 552.442  17.203  540.528  23.507  566.178  25.242  104.588 2.2771 107.034 2.3893 -2.445946      3.300593  
1 1 1 -10 4   11 o 34.458  1.4698 58.634   4.9989  53.452   5.8178  73.252   9.7716  32.846  1.8014 38.404  2.5930 -5.557579      3.157326  
1 1 1 -10 4   12 o 38.994  1.4845 75.094   5.7135  70.977   6.1811  99.255   14.974  37.907  1.6520 44.632  3.4251 -6.725502      3.802707  
1 1 1 -10 4   13 o 64.194  1.4231 203.538  9.0171  206.382  12.770  200.711  12.734  64.616  2.0023 63.721  2.0246 0.8951988      2.847535  
1 1 1 -10 4   14 o 74.670  2.0897 275.768  15.401  288.143  65.743  275.050  15.842  74.376  9.1483 74.567  2.1524 -0.1917038     9.398063  
1 1 1 -10 4   15 o 123.212 1.8437 750.780  22.422  725.143  30.756  779.864  32.758  120.970 2.5758 125.438 2.6458 -4.467339      3.692597  
1 1 1 -10 4   16 o 18.978  1.4729 17.907   2.7373  22.126   8.4621  17.414   2.8929  20.674  4.2876 18.702  1.5819 1.971508       4.570086  
1 1 1 -10 4   17 o 88.181  1.5739 384.481  13.699  368.336  19.195  401.241  19.557  86.223  2.2554 90.001  2.2015 -3.777252      3.151759  
1 1 1 -10 5   1  o 28.846  9.1915 40.849   29.488  38.753   41.466  42.994   41.942  30.197  10.883 31.125  10.974 -0.9275627     15.45491  
1 1 1 -10 5   2  o 180.096 6.8074 1613.47  121.009 1608.27  171.277 1618.66  170.989 178.813 9.7411 179.408 9.6919 -0.5953522     13.74124  
1 1 1 -10 5   3  o 102.411 6.1873 523.086  62.250  553.010  88.087  493.233  87.982  104.815 8.5899 98.821  9.1231 5.993294       12.53063  
1 1 1 -10 5   4  o 144.601 6.4813 1040.32  92.506  1056.23  131.132 1024.55  130.518 144.828 9.2212 142.599 9.3243 2.228943       13.11385  
1 1 1 -10 5   5  o 101.356 6.2305 512.873  62.029  504.577  87.769  521.150  87.676  99.912  8.9965 101.595 8.8312 -1.682785      12.60660  
1 1 1 -10 5   6  o 114.842 1.5886 651.227  18.008  663.664  25.750  639.323  25.193  115.902 2.2509 113.757 2.2437 2.144875       3.178158  
1 1 1 -10 5   7  o 136.624 1.8523 921.904  24.979  934.235  37.232  911.811  33.686  137.473 2.7439 135.832 2.5125 1.641785       3.720442  
1 1 1 -10 5   8  o 69.277  1.3837 236.956  9.4613  226.193  13.364  247.771  13.397  67.669  2.0008 70.826  1.9163 -3.156799      2.770493  
1 1 1 -10 5   9  o 85.525  1.5457 361.193  13.049  363.991  18.323  358.313  18.586  85.832  2.1628 85.158  2.2112 0.6742172      3.093112  
1 1 1 -10 5   10 o 55.051  1.3261 149.635  7.2058  150.846  11.388  148.827  9.3057  55.255  2.0880 54.894  1.7175 0.3611069      2.703602  
1 1 1 -10 5   11 o 170.668 2.1913 1439.46  36.914  1432.63  52.274  1446.27  52.136  170.145 3.1127 170.956 3.0897 -0.8116760     4.385789  
1 1 1 -10 5   12 o 61.651  1.3391 187.692  8.1486  194.602  12.013  181.803  11.090  62.755  1.9394 60.660  1.8522 2.095505       2.681812  
1 1 1 -10 5   13 o 66.916  1.3103 221.138  8.6543  224.301  11.653  217.247  12.923  67.374  1.7523 66.295  1.9750 1.079071       2.640304  
1 1 1 -10 5   14 f 105.097 1.6397 545.863  17.010  526.239  23.801  566.347  24.318  103.117 2.3385 106.979 2.3030 -3.862015      3.282132  
1 1 1 -10 5   15 o 165.090 3.3282 1354.45  54.233  1320.44  57.633  1617.40  160.260 162.914 3.5841 176.144 9.2501 -13.23035      9.920177  
1 1 1 -10 5   16 o 108.682 1.7205 584.139  18.456  598.223  25.900  569.609  26.307  109.879 2.3881 107.201 2.4862 2.677994       3.447363  
1 1 1 -10 5   17 o 59.632  1.5750 175.836  9.2702  169.276  13.186  182.246  13.035  58.446  2.2857 60.656  2.1773 -2.209167      3.156770  
1 1 1 -10 6   1  o 85.864  6.1799 368.238  52.025  342.537  73.147  394.549  74.010  82.198  9.1722 88.421  8.5884 -6.223412      12.56544  
1 1 1 -10 6   2  o 93.531  2.0938 432.092  19.330  431.395  27.671  432.757  27.013  93.415  3.0011 93.566  2.9249 -0.1513214     4.190694  
1 1 1 -10 6   3  o 213.232 2.8481 2247.52  59.944  2211.45  84.685  2283.74  84.863  211.339 4.0597 214.775 4.0031 -3.436249      5.701416  
1 1 1 -10 6   4  o 89.099  1.4107 391.950  12.407  372.164  18.074  409.582  17.061  86.799  2.1096 91.066  1.8981 -4.266869      2.837831  
1 1 1 -10 6   5  o 144.125 2.1091 1026.12  30.004  1033.44  42.658  1018.94  42.209  144.570 2.9895 143.553 2.9789 1.017029       4.220307  
1 1 1 -10 6   6  o 134.607 2.5514 895.495  33.898  888.169  35.286  983.146  122.050 134.046 2.6669 139.656 8.9005 -5.609329      9.291466  
1 1 1 -10 6   7  o 83.774  1.3947 346.508  11.533  348.147  16.682  345.008  15.961  83.951  2.0132 83.575  1.9349 0.3763351      2.792281  
1 1 1 -10 6   8  o 125.046 1.8845 772.343  23.259  803.679  32.165  738.001  33.673  127.512 2.5556 122.173 2.7924 5.339638       3.785315  
1 1 1 -10 6   9  o 127.229 1.7956 799.519  22.549  815.561  32.101  783.894  31.681  128.448 2.5320 125.928 2.5488 2.519737       3.592682  
1 1 1 -10 6   10 o 45.792  1.3660 103.540  6.1740  110.026  10.322  99.926   7.7042  47.186  2.2162 44.979  1.7353 2.206390       2.814775  
1 1 1 -10 6   11 o 86.991  1.5321 373.732  13.155  360.731  18.231  387.855  19.002  85.435  2.1619 88.588  2.1732 -3.153107      3.065376  
1 1 1 -10 6   12 o 67.078  1.4597 222.223  9.6642  227.434  14.063  217.559  13.303  67.833  2.1004 66.348  2.0314 1.485680       2.922016  
1 1 1 -10 6   13 o 36.693  1.3870 66.500   5.0232  68.278   9.8060  65.867   5.8489  37.040  2.7008 36.512  1.6229 0.5278625      3.150877  
1 1 1 -10 6   14 o 21.264  1.1137 22.391   2.3293  21.849   3.2918  22.934   3.2965  20.965  1.6029 21.486  1.5652 -0.5209370     2.240295  
1 1 1 -10 6   15 o 23.784  1.5000 28.069   3.5033  28.050   3.7661  28.188   9.5456  23.765  1.6151 23.403  4.2905 0.3625202      4.584419  
1 1 1 -10 6   16 o 124.197 6.6698 788.024  81.464  798.823  114.026 776.766  116.425 122.966 9.4675 120.934 9.8389 2.032341       13.65424  
1 1 1 -10 6   17 o 57.081  6.8219 168.942  37.674  171.304  52.715  166.476  53.862  56.088  9.8831 55.068  10.288 1.019924       14.26578  
1 1 1 -10 7   1  o 124.836 2.0220 769.730  24.915  753.256  35.234  786.205  35.236  123.439 2.8919 126.114 2.8307 -2.675316      4.046683  
1 1 1 -10 7   2  o 155.849 2.2474 1199.97  34.571  1172.31  48.977  1227.43  48.805  153.958 3.2230 157.545 3.1386 -3.587082      4.498668  
1 1 1 -10 7   3  o 141.908 2.1582 994.825  30.229  1014.38  40.603  970.504  45.279  143.241 2.8718 140.071 3.2750 3.169235       4.355802  
1 1 1 -10 7   4  o 183.076 2.4073 1656.22  43.501  1633.82  61.558  1678.57  61.481  181.714 3.4321 184.192 3.3817 -2.478790      4.818233  
1 1 1 -10 7   5  o 83.837  1.4503 347.040  12.002  340.656  17.027  353.344  16.919  83.041  2.0773 84.576  2.0268 -1.534241      2.902253  
1 1 1 -10 7   6  o 93.066  1.4427 427.654  13.253  438.371  18.860  417.200  18.627  94.202  2.0283 91.898  2.0536 2.304001       2.886394  
1 1 1 -10 7   7  o 82.057  1.4529 332.477  11.768  360.201  16.654  304.832  16.630  85.392  1.9759 78.548  2.1450 6.843430       2.916342  
1 1 1 -10 7   8  o 68.052  1.3134 228.652  8.8224  225.706  12.825  231.298  12.155  67.596  1.9222 68.432  1.7996 -0.8360672     2.633179  
1 1 1 -10 7   9  o 54.998  1.2498 149.341  6.7845  143.432  9.5901  155.261  9.5994  53.887  1.8030 56.067  1.7346 -2.179745      2.501979  
1 1 1 -10 7   10 o 27.443  1.4918 37.302   4.0256  36.703   4.4473  40.017   9.4714  27.209  1.6639 28.216  3.4742 -1.006708      3.852125  
1 1 1 -10 7   11 f 137.108 2.0374 928.970  27.572  934.018  38.596  923.709  39.402  137.394 2.8460 136.624 2.9218 0.7698212      4.078838  
1 1 1 -10 7   12 o 163.694 2.2150 1324.83  35.788  1312.30  50.662  1337.31  50.561  162.767 3.1534 164.317 3.1175 -1.550140      4.434264  
1 1 1 -10 7   13 o 54.105  1.2580 144.573  6.7183  142.924  8.1467  148.077  11.878  53.786  1.5345 54.716  2.1993 -0.9303055     2.681738  
1 1 1 -10 7   14 o 106.248 6.4558 572.146  67.382  562.053  95.740  582.052  94.852  103.773 9.4507 105.777 9.1758 -2.004120      13.17239  
1 1 1 -10 7   15 o 66.052  6.6040 223.759  42.479  226.129  60.476  221.451  59.679  65.039  9.7186 64.364  9.6947 0.6749115      13.72728  
1 1 1 -10 7   16 o 28.617  5.0167 42.332   13.653  29.957   29.357  45.748   15.423  25.450  9.1585 29.667  5.4685 -4.217045      10.66687  
1 1 1 -10 7   17 o 55.347  2.2227 151.814  12.142  144.245  14.655  168.385  21.685  53.818  2.7683 57.934  3.8136 -4.115654      4.712432  
1 1 1 -10 8   1  o 132.246 2.1924 864.035  28.618  889.191  40.474  838.883  40.471  134.090 3.0581 130.234 3.1484 3.856491       4.389068  
1 1 1 -10 8   2  o 29.999  1.0100 44.425   2.9906  38.403   4.2356  50.411   4.2231  27.845  1.5472 31.954  1.3390 -4.109125      2.046158  
1 1 1 -10 8   3  o 147.401 2.1834 1073.44  31.766  1055.81  45.099  1090.81  44.751  146.101 3.1273 148.511 3.0529 -2.409592      4.370395  
1 1 1 -10 8   4  o 121.886 1.9030 733.812  22.895  739.738  32.654  728.083  32.109  122.325 2.7045 121.359 2.6806 0.9656601      3.807851  
1 1 1 -10 8   5  o 101.957 1.7454 513.398  17.565  524.693  24.844  502.109  24.836  103.036 2.4429 100.791 2.4965 2.245125       3.492883  
1 1 1 -10 8   6  o 121.693 2.1197 731.676  25.460  732.295  36.008  731.057  36.005  121.676 2.9982 121.573 3.0005 0.1030655      4.241709  
1 1 1 -10 8   7  o 106.560 2.5064 561.297  26.362  0.0000   0.0000  561.297  26.362  ?       ?      106.560 2.5064 0.000000       2.506436  
1 1 1 -10 8   8  f 56.470  1.1817 157.435  6.5864  154.750  8.7912  160.871  9.9441  55.978  1.5911 57.070  1.7653 -1.091885      2.376566  
1 1 1 -10 8   9  o 206.278 2.7748 2104.56  56.496  2103.43  79.790  2105.70  80.006  205.998 3.9242 206.107 3.9327 -0.1089478     5.555689  
1 1 1 -10 8   10 o 90.442  1.5077 403.966  13.459  416.238  18.906  391.354  19.166  91.776  2.0871 88.985  2.1821 2.791168       3.019502  
1 1 1 -10 8   11 o 42.909  1.7716 90.965   7.5034  79.131   10.381  103.909  10.857  39.907  2.6506 45.776  2.4115 -5.869267      3.583474  
1 1 1 -10 8   12 o 101.891 2.2225 513.372  22.352  522.903  33.936  506.069  29.704  102.703 3.3477 101.084 2.9772 1.619370       4.480042  
1 1 1 -10 8   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 8   14 o 48.705  3.5595 118.584  16.993  105.040  44.612  120.882  18.379  43.893  10.448 49.130  3.8200 -5.237434      11.12448  
1 1 1 -10 8   15 o 50.512  1.6006 126.154  7.9800  144.583  14.697  118.448  9.5029  53.905  2.7716 48.921  1.9680 4.983532       3.399224  
1 1 1 -10 8   16 o 43.118  1.3592 91.891   5.7848  83.491   7.8989  101.607  8.4956  41.068  1.9487 45.308  1.8997 -4.240303      2.721411  
1 1 1 -10 8   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 9   1  o 236.623 3.5287 2771.48  82.414  2761.26  116.540 2781.70  116.563 235.832 5.0066 236.708 4.9890 -0.8764038     7.067951  
1 1 1 -10 9   2  o 174.313 2.2321 1501.38  38.403  1469.34  54.329  1533.37  54.292  172.334 3.1939 176.059 3.1243 -3.724655      4.467916  
1 1 1 -10 9   3  o 103.932 1.5655 533.413  16.060  539.315  22.934  527.735  22.496  104.473 2.2241 103.346 2.2053 1.126648       3.132063  
1 1 1 -10 9   4  o 63.569  1.4607 199.539  9.1654  212.229  13.416  188.431  12.551  65.541  2.0738 61.758  2.0590 3.783447       2.922337  
1 1 1 -10 9   5  o 34.453  0.8527 58.593   2.8999  60.505   4.1129  56.702   4.0893  35.008  1.1903 33.889  1.2225 1.118416       1.706248  
1 1 1 -10 9   6  o 169.983 2.9966 1429.40  50.278  1524.84  64.103  1276.85  81.047  175.456 3.7015 160.290 5.1227 15.16669       6.320068  
1 1 1 -10 9   7  o 183.342 2.8543 1662.66  51.653  1706.76  73.083  1618.65  73.013  185.558 3.9903 180.685 4.0940 4.873550       5.716909  
1 1 1 -10 9   8  o 76.332  2.6780 288.148  20.177  351.693  70.026  282.395  21.070  83.099  8.6649 75.557  2.8252 7.542137       9.113878  
1 1 1 -10 9   9  o 89.949  1.5613 399.600  13.862  408.305  19.605  390.897  19.603  90.891  2.1853 88.929  2.2333 1.961578       3.124589  
1 1 1 -10 9   10 o 171.419 3.3025 1455.48  55.877  1445.13  73.552  1469.61  85.929  170.576 4.3686 171.827 5.0666 -1.250458      6.689912  
1 1 1 -10 9   11 o 127.640 6.5759 819.172  82.565  811.627  117.970 826.417  115.594 125.762 9.5756 127.054 9.2817 -1.292343      13.33579  
1 1 1 -10 9   12 o 49.059  13.230 132.395  65.532  132.395  65.532  0.0000   0.0000  49.059  13.230 ?       ?      0.000000       13.23030  
1 1 1 -10 9   13 o 119.402 1.9838 705.094  23.380  689.013  32.969  721.360  33.159  117.903 2.8330 120.648 2.7845 -2.744652      3.972332  
1 1 1 -10 9   14 f 68.540  2.1070 232.525  14.254  243.936  18.248  214.663  22.831  70.144  2.6356 65.587  3.5399 4.556816       4.413325  
1 1 1 -10 9   15 o 39.387  1.3208 76.666   5.1350  85.636   7.1812  67.281   7.3455  41.606  1.7487 36.808  2.0297 4.798244       2.679080  
1 1 1 -10 9   16 o 45.870  0.9998 103.928  4.5266  105.664  6.4004  102.191  6.4028  46.232  1.4026 45.465  1.4268 0.7675209      2.000746  
1 1 1 -10 9   17 f 32.021  0.9805 50.648   3.0988  45.649   5.2272  53.356   3.8478  30.318  1.7542 32.858  1.1864 -2.540089      2.117752  
1 1 1 -10 10  1  o 46.267  1.1382 105.682  5.1980  96.688   6.3632  123.720  9.0117  44.250  1.4569 50.047  1.8243 -5.797138      2.334636  
1 1 1 -10 10  2  o 102.646 1.6407 520.350  16.623  525.131  23.753  515.761  23.271  103.079 2.3346 102.157 2.3079 0.9221725      3.282796  
1 1 1 -10 10  3  o 106.075 1.8230 555.793  19.086  574.743  27.293  537.657  26.701  107.821 2.5646 104.282 2.5941 3.538765       3.647809  
1 1 1 -10 10  4  o 174.829 2.3981 1510.81  41.383  1519.28  56.233  1500.82  61.121  175.203 3.2518 174.086 3.5571 1.116882       4.819413  
1 1 1 -10 10  5  o 136.273 1.9816 917.478  26.654  926.644  36.717  907.268  38.753  136.885 2.7176 135.428 2.8991 1.457993       3.973642  
1 1 1 -10 10  6  o 126.780 2.2783 794.434  28.510  814.566  50.890  785.225  34.419  128.174 4.0225 125.999 2.7675 2.175339       4.882630  
1 1 1 -10 10  7  o 87.452  1.5877 377.719  13.705  392.033  19.396  363.451  19.366  89.062  2.2064 85.749  2.2881 3.312820       3.178658  
1 1 1 -10 10  8  o 74.079  1.8202 271.115  13.309  275.905  18.846  266.349  18.798  74.693  2.5563 73.386  2.5952 1.307281       3.642768  
1 1 1 -10 10  9  o 59.189  6.8450 177.851  39.252  175.336  55.809  180.312  55.217  57.844  10.145 58.763  9.8698 -0.9195023     14.15377  
1 1 1 -10 10  10 o 154.584 6.6625 1198.72  101.657 1193.01  143.666 1204.45  143.864 152.632 9.5848 153.386 9.5497 -0.7535858     13.53022  
1 1 1 -10 10  11 o 23.135  0.9060 26.424   2.0690  23.823   2.5612  31.309   3.5100  21.932  1.1876 25.136  1.4205 -3.204273      1.851534  
1 1 1 -10 10  12 o 54.674  1.6407 147.724  8.8543  148.686  10.803  145.756  15.454  54.834  1.9960 54.155  2.9017 0.6793175      3.521937  
1 1 1 -10 10  13 o 99.412  1.7651 488.643  17.320  473.329  24.403  504.185  24.585  97.746  2.5294 100.891 2.4688 -3.144920      3.534514  
1 1 1 -10 10  14 o 74.400  1.5126 273.640  11.108  275.016  15.973  272.352  15.456  74.521  2.1716 74.166  2.1114 0.3548203      3.028849  
1 1 1 -10 10  15 f 151.346 2.3055 1135.57  34.440  1143.54  49.504  1128.09  47.945  151.514 3.3102 150.522 3.2271 0.9924927      4.622924  
1 1 1 -10 10  16 o 79.762  1.4369 314.574  11.312  321.746  15.896  307.213  16.102  80.594  1.9982 78.742  2.0718 1.852127       2.878397  
1 1 1 -10 10  17 o ?       ?      -3.5384  0.9081  -6.1014  1.7001  -2.5151  1.0742  2.5964  1.3155 2.4268  1.2016 0.1695952      1.781713  
1 1 1 -10 11  1  o 64.374  1.7118 204.682  10.877  191.685  19.907  210.213  12.987  62.145  3.2567 65.227  2.0171 -3.082565      3.830783  
1 1 1 -10 11  2  o 110.801 1.7360 606.409  18.986  609.046  27.509  604.011  26.237  110.990 2.5111 110.538 2.4047 0.4514236      3.476818  
1 1 1 -10 11  3  o 127.372 1.8634 801.478  23.426  796.460  34.167  805.931  32.182  126.900 2.7278 127.669 2.5538 -0.7692490     3.736684  
1 1 1 -10 11  4  o 175.729 2.4939 1526.83  43.258  1528.02  61.170  1525.64  61.181  175.635 3.5285 175.498 3.5319 0.1371460      4.992498  
1 1 1 -10 11  5  o 114.243 1.8787 644.807  21.185  668.344  30.450  622.728  29.492  116.247 2.6539 112.209 2.6629 4.037994       3.759490  
1 1 1 -10 11  6  o 137.680 6.5464 948.168  88.963  949.838  125.993 946.508  125.633 136.540 9.4061 136.304 9.3956 0.2357941      13.29481  
1 1 1 -10 11  7  o 61.526  6.6021 191.582  39.467  200.818  55.949  182.434  55.682  62.254  9.3979 59.129  9.8900 3.124416       13.64303  
1 1 1 -10 11  8  o 93.543  6.4287 440.067  58.996  434.780  83.180  445.418  83.688  92.058  9.2809 93.211  9.2170 -1.153160      13.08006  
1 1 1 -10 11  9  o 89.982  1.6290 399.989  14.468  428.858  21.560  376.342  19.513  93.122  2.3457 87.241  2.2661 5.881714       3.261486  
1 1 1 -10 11  10 o 72.625  2.4398 260.951  17.489  258.927  18.103  289.293  67.735  72.336  2.5356 74.675  9.3980 -2.339264      9.733987  
1 1 1 -10 11  11 o 93.226  2.0269 429.768  18.651  413.909  22.417  465.434  33.619  91.445  2.4836 96.826  3.5177 -5.380989      4.306136  
1 1 1 -10 11  12 o 64.054  1.8130 202.865  11.463  206.702  16.662  199.417  15.794  64.592  2.6135 63.452  2.5218 1.139988       3.631761  
1 1 1 -10 11  13 o 29.035  1.2784 41.652   3.6636  50.021   5.2101  33.467   5.1527  31.763  1.6677 25.926  2.0298 5.836863       2.627026  
1 1 1 -10 11  14 o 96.886  1.7867 464.470  17.086  454.614  23.166  476.229  25.303  95.742  2.4514 97.959  2.6169 -2.216187      3.585754  
1 1 1 -10 11  15 f 99.193  1.8083 487.066  17.704  485.209  25.737  488.734  24.392  98.835  2.6382 99.228  2.4905 -0.3931427     3.628071  
1 1 1 -10 11  16 o 87.392  1.7608 378.087  15.188  367.114  22.147  387.832  20.870  85.954  2.6104 88.395  2.3920 -2.440315      3.540559  
1 1 1 -10 11  17 o 72.521  1.5664 260.275  11.213  270.623  19.346  255.040  13.760  73.757  2.6573 71.734  1.9433 2.022606       3.292105  
1 1 1 -10 12  1  o 129.411 2.1603 827.708  27.594  838.503  44.608  821.018  35.119  130.102 3.4737 128.828 2.7618 1.274826       4.437838  
1 1 1 -10 12  2  o 100.231 1.6842 496.241  16.662  492.128  23.000  500.784  24.169  99.773  2.3356 100.640 2.4331 -0.8663483     3.372676  
1 1 1 -10 12  3  o 92.808  2.1320 425.703  19.530  457.356  28.897  399.088  26.498  96.123  3.0457 89.797  2.9896 6.326797       4.267788  
1 1 1 -10 12  4  o 58.728  6.6816 174.834  38.042  176.557  53.733  173.102  53.866  58.212  9.6925 57.586  9.8298 0.6268120      13.80467  
1 1 1 -10 12  5  o 68.914  6.7166 240.108  45.106  221.654  63.101  259.388  64.501  65.203  10.134 70.863  9.4578 -5.660690      13.86160  
1 1 1 -10 12  6  o 50.293  7.3468 129.712  35.394  127.985  49.729  131.485  50.388  49.094  10.575 49.772  10.583 -0.6778679     14.96039  
1 1 1 -10 12  7  o 36.074  2.6558 64.738   9.3899  70.748   14.002  59.827   12.658  37.568  3.8295 34.524  3.7763 3.044720       5.378231  
1 1 1 -10 12  8  o 177.445 2.6531 1558.25  46.467  1597.68  68.532  1524.70  63.218  179.394 3.8704 175.305 3.6535 4.088669       5.322379  
1 1 1 -10 12  9  o 163.159 2.3890 1317.03  38.473  1314.68  54.356  1319.38  54.463  162.812 3.3824 163.103 3.3830 -0.2903748     4.783874  
1 1 1 -10 12  10 o 47.019  1.3396 109.199  6.2170  105.023  8.8138  113.335  8.7707  46.089  1.9375 47.881  1.8558 -1.792645      2.682873  
1 1 1 -10 12  11 o 52.945  2.0235 138.661  10.575  148.122  15.539  130.500  14.432  54.581  2.8948 51.226  2.8658 3.355053       4.073411  
1 1 1 -10 12  12 o 51.061  1.0737 128.767  5.4113  139.913  7.6629  117.680  7.6426  53.207  1.4591 48.791  1.5870 4.416553       2.155799  
1 1 1 -10 12  13 o 65.555  1.6590 212.548  10.734  221.288  13.743  198.872  17.192  66.848  2.0828 63.291  2.7520 3.556519       3.451285  
1 1 1 -10 12  14 o 59.253  1.4882 173.624  8.7037  175.944  12.094  171.132  12.536  59.593  2.0560 58.760  2.1614 0.8324013      2.983146  
1 1 1 -10 12  15 o 47.566  1.7058 111.989  8.0086  110.426  9.2742  116.573  15.881  47.207  1.9904 48.212  3.3582 -1.004940      3.903734  
1 1 1 -10 12  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -10 12  17 o 71.303  7.8234 272.528  54.156  298.949  91.339  258.205  67.252  69.386  13.822 67.404  10.446 1.981590       17.32585  
1 1 1 -10 13  1  o 109.640 6.5188 604.211  70.228  621.888  99.877  586.925  98.766  110.237 9.2652 106.997 9.4490 3.239754       13.23359  
1 1 1 -10 13  2  o 36.829  7.9030 70.932   27.868  51.180   37.742  94.612   41.324  32.000  10.418 42.217  10.060 -10.21683      14.48255  
1 1 1 -10 13  3  o 66.067  6.5738 220.856  42.299  210.207  59.265  231.913  60.392  63.512  9.7667 66.893  9.4067 -3.380806      13.56001  
1 1 1 -10 13  4  o 43.613  1.3343 93.934   5.7437  85.691   8.1447  102.090  8.1011  41.639  1.9817 45.454  1.8057 -3.815559      2.680992  
1 1 1 -10 13  5  o 43.479  2.8427 93.982   12.132  91.970   23.323  94.728   14.205  42.540  5.6978 43.593  3.3265 -1.053368      6.597813  
1 1 1 -10 13  6  o 74.093  1.5411 271.188  11.270  275.752  16.217  266.924  15.674  74.676  2.2002 73.474  2.1612 1.202545       3.084140  
1 1 1 -10 13  7  o 116.335 1.8773 668.927  21.556  660.827  30.847  676.658  30.136  115.535 2.7050 116.923 2.6113 -1.388084      3.759755  
1 1 1 -10 13  8  o 75.573  1.5792 282.185  11.780  273.914  16.970  289.878  16.365  74.408  2.3106 76.557  2.1658 -2.149048      3.166948  
1 1 1 -10 13  9  f 67.764  1.9032 227.038  12.730  236.821  18.835  218.812  17.271  69.138  2.7601 66.469  2.6326 2.669106       3.814229  
1 1 1 -10 13  10 o 57.626  1.9663 164.254  11.184  179.079  16.418  151.417  15.278  60.105  2.7674 55.193  2.8137 4.911560       3.946623  
1 1 1 -10 13  11 o 115.471 2.6726 661.169  30.460  828.625  107.957 646.685  31.750  126.160 8.7231 114.169 2.8175 11.99055       9.166875  
1 1 1 -10 13  12 o 69.591  1.9066 239.683  13.096  252.389  19.107  228.425  17.986  71.308  2.7147 67.843  2.6860 3.465721       3.818900  
1 1 1 -10 13  13 o 55.535  1.5054 152.521  8.2516  151.100  11.616  153.967  11.724  55.218  2.1314 55.740  2.1309 -0.5213966     3.013860  
1 1 1 -10 13  14 o 46.706  1.2156 107.824  5.6040  112.351  7.9804  103.419  7.8712  47.642  1.6971 45.705  1.7448 1.936855       2.433993  
1 1 1 -10 13  15 o 63.809  8.0954 218.170  49.839  215.857  62.141  222.341  83.443  61.846  10.559 59.715  14.338 2.130875       17.80632  
1 1 1 -10 13  16 f 42.464  1.8360 89.356   7.6955  83.311   44.709  89.541   7.8121  37.700  11.199 42.505  1.8620 -4.805332      11.35242  
1 1 1 -10 14  1  o 172.643 5.0537 1486.62  86.117  1454.15  234.565 1491.68  92.583  164.001 14.645 172.797 5.4283 -8.796188      15.61827  
1 1 1 -10 14  2  o 94.852  1.7419 444.581  16.308  445.716  23.412  443.511  22.729  94.909  2.4992 94.681  2.4321 0.2284851      3.487298  
1 1 1 -10 14  3  o 93.972  1.6464 436.321  15.271  459.337  21.572  413.199  21.622  96.369  2.2679 91.390  2.3970 4.979645       3.299830  
1 1 1 -10 14  4  o 64.681  1.7938 206.762  11.452  213.776  16.463  200.186  15.941  65.723  2.5379 63.599  2.5394 2.123516       3.590193  
1 1 1 -10 14  5  o 99.022  1.7571 484.591  17.174  512.859  24.519  457.367  24.063  101.803 2.4401 96.127  2.5361 5.675629       3.519367  
1 1 1 -10 14  6  o 65.520  1.4684 212.077  9.4963  224.073  13.530  200.431  13.332  67.315  2.0363 63.660  2.1217 3.655689       2.940828  
1 1 1 -10 14  7  o 70.569  1.4917 246.049  10.390  245.753  14.749  246.341  14.638  70.485  2.1200 70.571  2.1015 -0.8569336E-01 2.985118  
1 1 1 -10 14  8  o 63.605  1.2036 199.819  7.5560  208.916  10.680  190.703  10.691  65.013  1.6643 62.110  1.7440 2.903072       2.410721  
1 1 1 -10 14  9  o 105.922 1.8195 554.843  19.023  571.133  26.811  538.329  26.995  107.363 2.5300 104.219 2.6243 3.144547       3.645266  
1 1 1 -10 14  10 o 54.097  1.3471 144.609  7.1931  140.099  10.359  148.809  9.9961  53.208  1.9724 54.846  1.8465 -1.638145      2.701851  
1 1 1 -10 14  11 o 44.918  2.3575 100.291  10.416  96.638   15.153  103.563  14.341  43.895  3.5273 45.510  3.2132 -1.615341      4.771421  
1 1 1 -10 14  12 o 37.660  8.6250 77.455   31.371  100.896  45.041  55.370   43.719  42.213  10.774 32.388  11.217 9.825317       15.55314  
1 1 1 -10 14  13 o 49.666  7.8150 132.043  37.045  115.760  52.758  147.879  52.028  44.438  11.822 51.038  10.671 -6.599636      15.92573  
1 1 1 -10 14  14 o 40.594  7.8411 89.465   30.280  93.639   42.415  85.126   43.242  40.308  10.541 38.318  10.909 1.989620       15.16990  
1 1 1 -10 14  15 o 34.511  1.1666 58.877   3.9738  60.331   5.5958  57.399   5.6442  34.907  1.6241 34.044  1.6797 0.8625946      2.336457  
1 1 1 -10 14  16 o 58.646  1.4831 170.254  8.5848  170.273  12.361  170.236  11.932  58.554  2.1388 58.561  2.0643 -0.6156921E-02 2.972465  
1 1 1 -10 15  1  o 60.410  1.8980 180.440  11.317  184.800  16.333  176.414  15.696  61.076  2.7093 59.678  2.6646 1.398129       3.800031  
1 1 1 -10 15  2  o 85.330  2.2887 360.317  19.276  525.516  81.449  350.515  19.840  101.129 8.2312 84.151  2.3886 16.97823       8.570737  
1 1 1 -10 15  3  o 43.751  1.5551 94.585   6.7156  96.259   13.636  94.049   7.7163  43.937  3.1655 43.617  1.7923 0.3192101      3.637666  
1 1 1 -10 15  4  o 75.054  1.3915 278.296  10.309  278.734  14.207  277.810  14.981  75.078  1.9171 74.945  2.0252 0.1331253      2.788713  
1 1 1 -10 15  5  o 27.091  0.9460 36.240   2.5297  44.538   3.1484  21.126   4.2490  30.032  1.0622 20.555  2.1250 9.476807       2.375654  
1 1 1 -10 15  6  o 123.337 1.9621 752.455  23.886  720.947  34.082  782.870  33.486  120.572 2.8639 125.677 2.6994 -5.105331      3.935557  
1 1 1 -10 15  7  o 67.858  1.5230 227.590  10.201  237.183  14.805  218.921  14.074  69.221  2.1669 66.505  2.1441 2.716141       3.048372  
1 1 1 -10 15  8  o 139.071 2.2469 957.856  30.843  1003.02  44.317  915.429  42.952  142.068 3.1604 135.710 3.2066 6.358856       4.502221  
1 1 1 -10 15  9  o 52.830  1.3803 137.945  7.1979  138.372  10.174  137.517  10.184  52.873  1.9496 52.709  1.9575 0.1641006      2.762747  
1 1 1 -10 15  10 o 20.351  0.8495 20.453   1.7065  16.060   2.4306  24.723   2.3965  17.972  1.3808 22.371  1.0853 -4.399073      1.756270  
1 1 1 -10 15  11 o 109.151 7.7978 625.674  83.457  600.688  144.609 638.152  102.194 99.150  15.266 108.552 9.6381 -9.401855      18.05414  
1 1 1 -10 15  12 o 119.024 6.8448 737.256  80.075  730.744  114.125 743.571  112.381 115.024 10.156 116.365 9.8777 -1.340782      14.16766  
1 1 1 -10 15  13 o 33.222  5.9530 58.291   18.804  59.343   21.183  54.382   40.838  33.273  6.6820 31.491  10.845 1.782028       12.73832  
1 1 1 -10 15  14 o 14.069  1.1674 9.8528   1.6065  14.488   1.9440  -0.1286  2.8529  17.080  1.1600 6.1545  2.6350 10.92507       2.879081  
1 1 1 -10 15  15 o 33.243  3.2082 55.808   10.396  60.139   14.887  51.687   14.524  34.152  4.5278 31.530  4.8200 2.622093       6.613130  
1 1 1 -10 16  1  o 58.862  1.8535 171.394  10.769  174.467  15.480  168.511  14.991  59.316  2.6440 58.298  2.6052 1.017258       3.711831  
1 1 1 -10 16  2  o 17.104  1.3114 14.539   2.1971  6.9475   3.1802  21.471   3.0388  11.604  2.8072 20.789  1.4908 -9.185474      3.178528  
1 1 1 -10 16  3  o 101.886 6.5650 529.351  65.669  528.385  92.790  530.321  92.951  100.062 9.5093 100.248 9.5076 -0.1858292     13.44695  
1 1 1 -10 16  4  o 40.039  1.1354 79.187   4.4870  91.927   6.4115  66.958   6.2816  43.125  1.5063 36.796  1.7296 6.328987       2.293520  
1 1 1 -10 16  5  o 69.776  1.6644 240.764  11.463  246.839  18.339  236.868  14.685  70.545  2.6337 69.163  2.1511 1.381958       3.400537  
1 1 1 -10 16  6  o 63.008  1.8793 196.453  11.688  202.457  17.076  191.162  16.031  63.871  2.7087 62.075  2.6164 1.795650       3.765978  
1 1 1 -10 16  7  o 11.562  1.5362 6.7258   1.7097  10.840   2.4164  2.6012   2.4195  14.706  1.6957 7.6294  2.6390 7.076995       3.136858  
1 1 1 -10 16  8  o 22.387  4.3654 25.978   9.2995  20.521   13.630  30.731   12.720  20.053  6.2301 24.179  5.4591 -4.126448      8.283456  
1 1 1 -10 16  9  o 42.236  8.1341 96.293   32.679  98.810   47.570  94.044   44.971  41.489  11.307 40.607  10.964 0.8815994      15.74986  
1 1 1 -10 16  10 f 96.040  6.6648 478.874  62.788  504.908  89.027  453.108  88.567  96.259  9.4938 90.630  10.071 5.628922       13.84038  
1 1 1 -10 16  11 o 29.514  1.2595 43.068   3.6689  47.138   5.2444  39.167   5.1346  30.803  1.7320 28.053  1.8650 2.749960       2.545204  
1 1 1 -10 16  12 o 15.032  5.3376 10.190   9.9398  10.199   14.836  10.183   13.389  16.616  6.4029 16.140  6.1153 0.4767933      8.854031  
1 1 1 -10 16  13 o 39.159  1.0294 75.787   3.9789  90.304   6.9219  68.623   4.8625  42.699  1.6424 37.245  1.3227 5.453316       2.108787  
1 1 1 -10 16  14 o 50.086  2.4997 124.928  12.358  132.608  18.036  118.131  16.966  51.241  3.5887 48.352  3.5804 2.889072       5.069333  
1 1 1 -10 16  15 o 75.707  1.4281 283.795  10.672  294.293  15.024  273.105  15.161  76.979  1.9773 74.134  2.0720 2.845634       2.864059  
1 1 1 -10 17  1  o 94.982  2.0629 446.961  19.340  464.519  24.042  414.766  32.555  96.738  2.5179 91.131  3.6193 5.606964       4.408934  
1 1 1 -10 17  2  o 103.188 2.0469 527.480  20.848  545.110  35.257  518.001  25.852  104.548 3.4166 102.148 2.5641 2.399879       4.271710  
1 1 1 -10 17  3  o 27.471  1.4702 37.423   3.9721  36.138   13.071  37.554   4.1692  26.304  5.2189 27.513  1.5415 -1.208988      5.441777  
1 1 1 -10 17  4  o 87.185  6.6184 392.166  56.530  385.360  79.951  398.970  79.938  84.320  9.7886 85.964  9.5843 -1.644203      13.69947  
1 1 1 -10 17  5  o 46.704  1.3447 107.836  6.1988  103.844  8.5115  112.345  9.0457  45.794  1.8831 47.628  1.9242 -1.833904      2.692280  
1 1 1 -10 17  6  o 33.511  1.1111 55.488   3.6751  45.840   5.1158  65.777   5.2831  30.385  1.7128 36.469  1.4677 -6.084316      2.255583  
1 1 1 -10 17  7  o 53.279  7.3127 150.202  37.442  148.052  52.678  152.396  53.228  50.996  10.802 51.780  10.766 -0.7842903     15.25029  
1 1 1 -10 17  8  o 96.108  6.7863 481.462  63.963  488.971  90.395  473.933  90.519  94.160  9.8731 92.491  10.078 1.668983       14.10863  
1 1 1 -10 17  9  o 33.351  4.1598 56.846   13.396  58.139   21.153  55.981   17.309  32.904  6.7400 32.667  5.5678 0.2363014      8.742253  
1 1 1 -10 17  10 o 22.273  4.6079 26.024   9.7958  29.761   14.650  23.001   13.174  23.550  6.2128 20.849  6.0478 2.701149       8.670348  
1 1 1 -10 17  11 o 45.310  0.9824 101.452  4.3934  103.784  6.2222  99.134   6.2044  45.798  1.3765 44.758  1.4044 1.040207       1.966468  
1 1 1 -10 17  12 o 68.134  2.2168 230.727  14.908  233.505  21.881  228.321  20.367  68.268  3.2472 67.564  3.0541 0.7036896      4.457769  
1 1 1 -10 17  13 o 15.229  1.5276 11.602   2.2653  9.9728   3.3017  13.051   3.1139  13.945  2.4902 16.090  2.0042 -2.145365      3.196502  
1 1 1 -10 17  14 o 58.122  2.0522 167.907  11.773  280.189  60.637  163.508  12.002  70.426  8.9233 57.342  2.1205 13.08365       9.171767  
1 1 1 -10 18  1  o 80.921  1.8993 324.538  15.170  325.125  21.881  323.994  21.049  80.809  2.7433 80.693  2.6428 0.1152039      3.809259  
1 1 1 -10 18  2  o 18.618  1.4287 17.247   2.6054  13.429   12.979  17.408   2.6595  17.161  6.0987 18.702  1.4521 -1.540600      6.269226  
1 1 1 -10 18  3  o 15.829  4.9089 12.708   8.4664  14.933   12.561  10.856   11.461  17.615  6.0164 15.785  5.7164 1.829941       8.299020  
1 1 1 -10 18  4  o 76.940  6.6889 309.663  50.292  318.764  70.855  300.423  71.395  75.828  9.6883 73.212  10.153 2.616417       14.03390  
1 1 1 -10 18  5  o 59.672  7.0349 188.392  40.638  179.221  57.339  197.648  57.603  55.788  10.803 59.056  10.254 -3.267838      14.89483  
1 1 1 -10 18  6  o 115.712 6.8428 701.799  77.805  711.500  110.730 692.338  109.350 112.816 10.049 111.257 10.067 1.558990       14.22412  
1 1 1 -10 18  7  o 16.245  5.1552 13.336   9.2832  19.085   13.496  8.1728   12.789  19.325  6.2246 15.275  5.9283 4.050218       8.595923  
1 1 1 -10 18  8  o 75.029  1.9690 279.298  14.582  289.916  21.082  269.561  20.190  76.235  2.8018 73.516  2.7824 2.719551       3.948640  
1 1 1 -10 18  9  o 48.517  2.5782 117.600  12.302  113.649  18.009  121.057  16.845  47.327  3.8896 48.977  3.5078 -1.650036      5.237745  
1 1 1 -10 18  10 o 39.913  3.4936 80.626   13.625  96.059   25.280  74.309   16.175  42.548  6.2021 38.030  4.3896 4.517273       7.598333  
1 1 1 -10 18  11 o 18.891  0.8792 17.634   1.6394  18.714   2.3500  16.610   2.2882  19.411  1.2329 18.278  1.2764 1.133131       1.774599  
1 1 1 -10 18  12 o 15.079  1.4376 11.362   2.1137  12.410   2.9293  10.224   3.0530  15.692  1.9321 14.161  2.2602 1.530826       2.973416  
1 1 1 -10 18  13 o 20.086  5.3128 21.676   10.695  32.240   16.103  13.337   14.306  24.203  6.5716 17.263  6.3660 6.940226       9.149409  
1 1 1 -10 19  1  o 30.179  8.3302 50.909   25.627  48.634   35.424  53.406   37.119  29.666  10.104 30.814  10.343 -1.148714      14.45923  
1 1 1 -10 19  2  o 69.613  6.8477 256.707  46.442  262.479  65.256  250.782  66.109  67.888  10.042 65.935  10.511 1.953888       14.53673  
1 1 1 -10 19  3  o 16.375  6.9096 3.4900   19.132  3.9872   27.453  3.0205   26.677  19.150  8.1860 18.755  8.0446 0.3954105      11.47715  
1 1 1 -10 19  4  o 51.609  2.2445 132.397  11.433  130.845  11.564  199.833  76.230  51.299  2.2839 55.435  13.945 -4.135925      14.13042  
1 1 1 -10 19  5  o 34.406  3.2213 59.801   10.812  61.740   16.181  58.237   14.533  34.466  4.8940 33.588  4.4963 0.8776169      6.645953  
1 1 1 -10 19  6  o 36.628  4.2661 68.849   15.135  65.358   15.616  122.861  61.428  35.583  4.5504 43.585  13.168 -8.002316      13.93165  
1 1 1 -10 19  7  o 19.265  5.0855 19.722   9.8120  20.626   14.412  18.941   13.397  19.942  6.4333 19.178  6.2042 0.7643299      8.937543  
1 1 1 -10 19  8  o 35.924  3.1442 65.158   11.037  70.649   16.415  60.627   14.910  36.967  4.5982 34.232  4.5236 2.734791       6.450286  
1 1 1 -10 19  9  o 13.254  5.2889 5.1223   10.428  1.7985   16.183  7.4828   13.637  14.800  6.3047 15.281  6.0638 -0.4806728     8.747455  
1 1 1 -10 19  10 o 45.193  2.7359 102.465  12.147  100.232  17.876  104.381  16.555  44.235  4.1425 45.301  3.7359 -1.065506      5.578276  
1 1 1 -10 19  11 o 34.625  1.1067 59.303   3.7821  65.750   6.3204  55.706   4.7206  36.396  1.7594 33.534  1.4262 2.862137       2.264823  
1 1 1 -10 19  12 o 24.491  8.3733 33.044   24.330  23.293   32.943  44.748   36.089  23.358  9.3725 27.959  10.141 -4.601292      13.80876  
1 1 1 -10 20  1  o 13.211  5.8202 -2.6503  14.763  -5.1593  17.755  2.9702   26.574  14.039  6.2720 18.552  7.9943 -4.512792      10.16106  
1 1 1 -10 20  2  o 2.5346  1.2668 -3.5957  1.3129  4.8850   2.1647  -8.5301  1.6512  9.7139  2.2943 ?       ?      0.000000       2.294308  
1 1 1 -10 20  3  o 52.018  2.3048 134.727  11.834  145.733  17.252  124.947  16.264  53.770  3.2660 49.752  3.3311 4.018074       4.665112  
1 1 1 -10 20  4  o 32.092  0.8476 50.888   2.6849  50.953   3.8119  50.824   3.7822  32.092  1.2034 32.052  1.1955 0.4022598E-01  1.696282  
1 1 1 -10 20  5  o 40.555  0.9947 81.309   3.9818  86.393   5.6424  76.265   5.6198  41.772  1.3685 39.240  1.4510 2.532780       1.994515  
1 1 1 -10 20  6  o 21.847  4.6688 25.312   9.7623  29.863   14.279  21.318   13.377  23.410  6.1133 20.021  6.1640 3.389103       8.681444  
1 1 1 -10 20  7  o 72.759  2.9475 265.391  21.168  256.318  22.106  365.529  73.442  71.431  3.1353 79.422  9.5606 -7.990685      10.06157  
1 1 1 -10 20  8  o 68.627  2.4675 235.114  16.715  308.095  29.277  199.824  20.358  77.949  3.8052 62.909  3.2901 15.04067       5.030366  
1 1 1 -10 20  9  o 36.885  3.2274 69.025   11.632  70.128   17.235  68.103   15.762  36.554  4.9003 36.176  4.5125 0.3781242      6.661524  
1 1 1 -10 20  10 o 51.588  7.8884 150.666  38.891  157.532  55.176  143.886  54.827  49.290  11.544 46.646  11.877 2.644524       16.56269  
1 1 1 -9  -21 1  o 69.091  2.6863 237.298  18.320  253.562  62.124  235.749  19.172  68.182  9.4884 68.840  2.8216 -0.6577225     9.899033  
1 1 1 -9  -20 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -20 2  o 91.747  1.5148 416.268  13.718  417.233  18.351  415.046  20.652  91.779  2.0258 91.492  2.2869 0.2867126      3.055108  
1 1 1 -9  -19 1  o 56.722  6.3996 165.380  35.203  143.545  49.746  187.282  49.822  51.286  10.186 59.440  8.7542 -8.154015      13.43118  
1 1 1 -9  -19 2  o 56.588  1.3521 158.255  7.5523  152.656  9.3628  168.684  12.777  55.555  1.7074 58.355  2.2184 -2.799416      2.799383  
1 1 1 -9  -19 3  o 72.588  1.2472 260.365  8.9357  274.379  11.961  242.665  13.442  74.483  1.6269 70.015  1.9451 4.468849       2.535842  
1 1 1 -9  -18 1  o 70.476  13.681 278.624  91.737  278.624  91.737  0.0000   0.0000  70.476  13.681 ?       ?      0.000000       13.68111  
1 1 1 -9  -18 2  o 97.323  1.4411 468.089  13.844  467.015  19.033  469.295  20.173  97.151  1.9848 97.373  2.0989 -0.2219009     2.888767  
1 1 1 -9  -18 3  o 43.441  1.3327 93.248   5.7143  95.222   7.1030  89.627   9.6204  43.884  1.6398 42.475  2.3033 1.409412       2.827451  
1 1 1 -9  -18 4  o 88.863  1.5391 390.401  13.500  432.458  22.784  367.648  16.758  93.398  2.4715 86.186  1.9700 7.211403       3.160531  
1 1 1 -9  -17 1  o 36.974  2.2087 67.853   8.0237  67.512   9.4606  68.728   15.144  36.838  2.6190 36.935  4.2304 -0.9766388E-01 4.975490  
1 1 1 -9  -17 2  o 35.617  1.5551 62.685   5.4670  56.588   7.6543  69.034   7.8110  33.736  2.3127 37.296  2.1307 -3.560009      3.144548  
1 1 1 -9  -17 3  o 18.713  2.3602 17.613   4.2625  21.716   5.5376  11.647   6.6771  20.747  2.7736 15.088  4.2838 5.659321       5.103277  
1 1 1 -9  -17 4  o 61.907  1.1256 189.299  6.8780  171.050  8.8803  216.661  10.874  58.827  1.5294 66.198  1.6642 -7.370907      2.260192  
1 1 1 -9  -17 5  o 40.014  6.7875 83.568   25.849  87.961   36.478  79.138   36.635  40.276  9.3551 38.107  9.7117 2.168579       13.48459  
1 1 1 -9  -17 6  o 139.226 6.6483 989.399  91.362  966.146  129.219 1012.64  129.191 134.731 9.7836 138.203 9.5289 -3.472031      13.65718  
1 1 1 -9  -16 1  o 178.591 2.4485 1577.30  43.161  1547.95  60.725  1607.26  61.359  176.737 3.4810 180.098 3.4518 -3.360428      4.902237  
1 1 1 -9  -16 2  o 68.498  1.2255 231.697  8.2855  223.170  11.112  242.372  12.434  67.208  1.6751 70.034  1.7987 -2.825607      2.457928  
1 1 1 -9  -16 3  o 187.795 2.4384 1745.40  45.198  1690.08  65.561  1795.51  62.397  184.488 3.6003 190.242 3.3229 -5.753403      4.899412  
1 1 1 -9  -16 4  o 163.492 2.1997 1322.73  35.497  1328.76  49.923  1316.56  50.481  163.648 3.0907 162.881 3.1400 0.7672272      4.405896  
1 1 1 -9  -16 5  o 57.086  9.2820 172.999  50.504  172.999  50.504  0.0000   0.0000  57.086  9.2820 ?       ?      0.000000       9.282038  
1 1 1 -9  -16 6  o 70.944  6.3291 256.743  43.854  259.311  62.076  254.183  61.962  70.079  9.1965 69.329  9.2882 0.7492218      13.07077  
1 1 1 -9  -16 7  o 58.496  6.4856 175.987  36.816  171.197  52.073  180.774  52.058  56.337  9.7155 58.071  9.4038 -1.734703      13.52122  
1 1 1 -9  -15 1  o 87.695  1.4026 379.743  12.141  361.542  16.630  400.517  17.766  85.545  1.9695 90.036  1.9992 -4.491386      2.806368  
1 1 1 -9  -15 2  o 237.716 3.1867 2797.68  74.770  2745.01  105.459 2850.92  106.026 235.083 4.5449 239.596 4.4833 -4.513000      6.384089  
1 1 1 -9  -15 3  o 84.431  1.3213 352.033  11.011  376.597  15.382  326.217  15.769  87.304  1.7850 81.244  1.9664 6.059380       2.655797  
1 1 1 -9  -15 4  o 254.363 3.1154 3206.74  78.217  3169.50  110.425 3244.25  110.808 252.331 4.4337 255.307 4.3972 -2.976227      6.244419  
1 1 1 -9  -15 5  o 61.351  1.2192 185.906  7.3828  189.930  11.555  183.130  9.5973  61.978  1.8888 60.874  1.5973 1.103409       2.473670  
1 1 1 -9  -15 6  o 137.625 2.0935 937.177  28.439  917.897  48.933  947.011  34.946  135.846 3.6494 138.257 2.5608 -2.411301      4.458273  
1 1 1 -9  -15 7  o 76.187  9.1677 305.056  67.556  305.056  67.556  0.0000   0.0000  76.187  9.1677 ?       ?      0.000000       9.167656  
1 1 1 -9  -15 8  o 17.756  6.2319 14.285   13.516  16.846   18.691  11.479   19.566  19.917  7.2867 18.706  7.3123 1.210724       10.32307  
1 1 1 -9  -14 1  o 42.817  1.7521 90.542   7.4046  86.798   10.220  94.679   10.742  41.833  2.4864 43.696  2.5011 -1.863079      3.526753  
1 1 1 -9  -14 2  o 92.145  1.3382 419.222  12.171  444.649  17.399  394.857  17.032  94.877  1.8579 89.404  1.9301 5.473022       2.678986  
1 1 1 -9  -14 3  o 160.485 2.1884 1272.85  34.666  1283.83  48.872  1261.74  49.178  161.066 3.0741 159.668 3.1205 1.398758       4.380395  
1 1 1 -9  -14 4  o 141.949 1.8352 995.571  25.713  1038.86  36.281  951.886  36.447  144.926 2.5363 138.711 2.6620 6.214890       3.676869  
1 1 1 -9  -14 5  o 119.275 1.4927 702.756  17.574  639.754  24.456  770.015  25.269  113.743 2.1784 124.801 2.0514 -11.05747      2.992218  
1 1 1 -9  -14 6  o 49.125  1.5343 119.240  7.4396  119.983  7.5685  97.956   40.481  49.277  1.5561 42.736  9.8050 6.541420       9.927698  
1 1 1 -9  -14 7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -14 8  o 78.598  9.1529 323.878  69.677  323.878  69.677  0.0000   0.0000  78.598  9.1529 ?       ?      0.000000       9.152856  
1 1 1 -9  -13 1  o 54.873  1.7201 148.694  9.3160  65.479   39.986  153.470  9.5797  35.709  10.587 55.746  1.7410 -20.03732      10.72906  
1 1 1 -9  -13 2  o 69.417  1.2673 237.901  8.6830  219.920  14.107  248.868  11.017  66.720  2.1422 70.992  1.5723 -4.272484      2.657233  
1 1 1 -9  -13 3  o 122.356 1.6354 739.327  19.751  734.487  27.723  744.316  28.146  121.915 2.3038 122.727 2.3235 -0.8116379     3.272013  
1 1 1 -9  -13 4  o 224.197 2.9880 2486.77  66.122  2454.74  93.294  2519.10  93.730  222.468 4.2487 225.375 4.2135 -2.907013      5.983689  
1 1 1 -9  -13 5  o 150.352 2.1573 1117.34  32.015  1094.80  53.793  1129.71  39.838  148.611 3.6672 151.119 2.6708 -2.508392      4.536738  
1 1 1 -9  -13 6  o 91.564  6.2063 422.032  55.760  408.906  78.850  435.162  78.863  89.135  9.0895 92.100  8.7815 -2.965118      12.63863  
1 1 1 -9  -13 7  o 34.489  0.9425 58.729   3.2085  57.773   3.7124  61.550   6.3778  34.204  1.0996 35.238  1.8401 -1.033669      2.143615  
1 1 1 -9  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -13 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -12 1  f 123.446 1.6651 752.490  20.289  719.491  28.249  787.646  29.158  120.674 2.3717 126.262 2.3396 -5.588173      3.331486  
1 1 1 -9  -12 2  o 88.401  2.4068 386.139  21.001  412.002  75.048  383.942  21.875  90.306  8.5202 88.145  2.5143 2.161812       8.883461  
1 1 1 -9  -12 3  o 51.648  1.0747 131.682  5.4788  135.698  7.4551  126.967  8.0788  52.425  1.4407 50.707  1.6142 1.717510       2.163611  
1 1 1 -9  -12 4  o 267.526 3.2354 3540.86  85.433  3560.27  120.722 3521.39  120.919 267.930 4.5649 266.454 4.5977 1.476257       6.478963  
1 1 1 -9  -12 5  o 125.612 1.8994 779.441  23.550  768.972  28.766  800.719  41.009  124.734 2.3364 127.194 3.2665 -2.460014      4.016068  
1 1 1 -9  -12 6  o 67.790  1.0156 226.871  6.7952  216.181  9.3409  238.888  9.9036  66.163  1.4304 69.550  1.4426 -3.387573      2.031533  
1 1 1 -9  -12 7  o 109.612 6.3034 604.232  67.910  597.806  96.081  610.648  95.997  107.945 9.1027 109.156 8.9899 -1.211143      12.79362  
1 1 1 -9  -12 8  o 74.185  6.2032 278.498  45.005  293.163  63.847  264.017  63.448  75.232  8.7623 71.157  9.2527 4.075592       12.74326  
1 1 1 -9  -12 9  o 57.653  6.2930 169.391  35.229  158.527  49.698  180.363  49.945  54.658  9.5602 58.633  8.9108 -3.974819      13.06901  
1 1 1 -9  -12 10 o 18.198  6.9739 11.764   17.536  0.0000   0.0000  11.764   17.536  ?       ?      18.198  6.9739 0.000000       6.973888  
1 1 1 -9  -11 1  o 94.391  1.5994 439.921  14.901  468.242  18.393  385.817  25.422  97.372  1.9137 88.346  2.9153 9.025284       3.487311  
1 1 1 -9  -11 2  o 101.358 1.5970 507.265  15.977  525.755  19.701  471.739  27.308  103.177 1.9345 97.692  2.8320 5.484512       3.429662  
1 1 1 -9  -11 3  o 65.626  6.0887 215.923  38.990  223.100  55.236  208.794  55.045  66.202  8.6608 63.937  8.9691 2.264530       12.46816  
1 1 1 -9  -11 4  o 70.585  1.0985 245.947  7.6531  223.869  10.170  274.770  11.620  67.334  1.5302 74.597  1.5782 -7.262032      2.198284  
1 1 1 -9  -11 5  o 197.252 2.4790 1922.92  48.264  1881.98  67.026  1967.02  69.557  195.006 3.4822 199.355 3.5349 -4.348404      4.962022  
1 1 1 -9  -11 6  o 202.717 2.5031 2031.44  50.085  2015.84  70.694  2047.16  70.970  201.768 3.5497 203.332 3.5362 -1.563904      5.010489  
1 1 1 -9  -11 7  o 85.527  2.3092 361.628  19.494  280.091  69.201  368.656  20.317  73.629  9.7629 86.350  2.3838 -12.72066      10.04967  
1 1 1 -9  -11 8  o 75.178  1.1329 279.068  8.4061  272.181  10.297  292.832  14.557  74.234  1.4052 76.973  1.9160 -2.738533      2.376061  
1 1 1 -9  -11 9  o 41.436  12.339 92.922   54.226  92.922   54.226  0.0000   0.0000  41.436  12.339 ?       ?      0.000000       12.33866  
1 1 1 -9  -11 10 o 80.577  6.2171 328.847  49.064  318.346  69.253  339.430  69.521  78.128  9.1540 80.836  8.8582 -2.708046      12.73824  
1 1 1 -9  -11 11 f 73.844  9.1199 285.900  65.060  0.0000   0.0000  285.900  65.060  ?       ?      73.844  9.1199 0.000000       9.119902  
1 1 1 -9  -10 1  o 119.724 1.6420 707.737  19.404  734.298  27.276  680.519  27.610  121.923 2.2665 117.368 2.3833 4.555298       3.288980  
1 1 1 -9  -10 2  o 116.877 1.6121 674.479  18.597  697.440  26.404  651.875  26.198  118.823 2.2513 114.873 2.3105 3.949860       3.225971  
1 1 1 -9  -10 3  o 67.227  1.0006 223.086  6.6394  214.227  9.3870  231.955  9.3922  65.872  1.4438 68.544  1.3882 -2.672455      2.002897  
1 1 1 -9  -10 4  o 150.715 2.6307 1122.56  39.135  1119.38  40.838  1158.25  136.951 150.493 2.7492 151.681 9.1909 -1.187927      9.593245  
1 1 1 -9  -10 5  o 22.579  1.3290 25.257   2.9488  20.709   4.5607  28.524   3.8655  20.342  2.3125 23.978  1.6432 -3.635693      2.836879  
1 1 1 -9  -10 6  o 234.493 3.1086 2719.70  71.950  2805.58  101.813 2634.03  101.692 237.918 4.3355 230.498 4.4698 7.419861       6.226992  
1 1 1 -9  -10 7  o 101.655 1.3412 510.229  13.457  526.020  19.129  494.756  18.935  103.192 1.8781 100.076 1.9169 3.115585       2.683622  
1 1 1 -9  -10 8  o 214.027 7.2800 2300.21  153.792 2265.12  217.406 2335.36  217.583 210.468 10.465 213.816 10.310 -3.348343      14.69065  
1 1 1 -9  -10 9  o 138.816 2.3694 953.217  32.464  970.999  33.614  706.632  125.175 140.096 2.4309 116.318 11.035 23.77821       11.29944  
1 1 1 -9  -10 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -10 11 o 30.234  7.7479 48.293   23.227  49.449   28.247  45.881   40.813  30.643  8.8463 30.900  10.830 -0.2564335     13.98402  
1 1 1 -9  -10 12 o 82.900  6.2744 349.108  50.960  342.153  72.014  356.085  72.123  80.775  9.1964 82.520  9.0008 -1.744759      12.86810  
1 1 1 -9  -9  1  o 73.838  1.1530 269.125  8.4033  291.600  12.296  249.426  11.511  76.851  1.6209 71.076  1.6408 5.774803       2.306471  
1 1 1 -9  -9  2  o 60.505  1.0560 180.703  6.3062  174.562  8.9517  186.754  8.8854  59.461  1.5252 61.504  1.4637 -2.042397      2.113922  
1 1 1 -9  -9  3  o 155.110 1.9744 1188.20  30.227  1217.20  42.830  1159.41  42.666  156.939 2.7649 153.164 2.8222 3.775482       3.950919  
1 1 1 -9  -9  4  o 42.805  1.0400 90.444   4.3939  92.115   6.2783  88.840   6.1515  43.194  1.4726 42.420  1.4692 0.7747040      2.080175  
1 1 1 -9  -9  5  o 264.003 4.1335 3451.08  107.711 3502.62  116.364 3142.67  284.650 265.901 4.4337 249.140 11.575 16.76146       12.39542  
1 1 1 -9  -9  6  f 81.347  1.1473 326.667  9.2116  305.363  12.972  348.339  13.083  78.638  1.6712 83.992  1.5781 -5.354126      2.298595  
1 1 1 -9  -9  7  o 79.043  1.1368 308.436  8.8695  308.842  12.730  308.053  12.365  79.083  1.6309 78.983  1.5860 0.9976959E-01  2.274913  
1 1 1 -9  -9  8  o 135.872 1.7284 911.839  23.179  907.742  32.820  915.917  32.741  135.510 2.4538 136.120 2.4369 -0.6103821     3.458229  
1 1 1 -9  -9  9  o 256.178 3.1176 3249.64  78.832  3251.52  111.548 3247.77  111.422 255.823 4.4176 255.677 4.4151 0.1463470      6.245725  
1 1 1 -9  -9  10 o 57.082  6.2390 165.350  34.579  157.376  48.900  173.325  48.905  54.750  9.3867 57.688  8.8730 -2.938358      12.91669  
1 1 1 -9  -9  11 o 72.149  1.2914 257.118  9.1963  259.890  12.720  254.081  13.311  72.510  1.7773 71.688  1.8812 0.8217316      2.587969  
1 1 1 -9  -9  12 o 31.483  6.8434 52.005   20.659  43.717   29.122  60.402   29.311  29.127  9.1160 33.670  8.7424 -4.542645      12.63053  
1 1 1 -9  -8  1  o 146.804 1.8488 1064.14  26.790  1029.00  37.777  1099.69  37.997  144.320 2.6520 149.199 2.5802 -4.878937      3.700029  
1 1 1 -9  -8  2  o 93.848  1.3484 434.792  12.491  438.019  17.585  431.506  17.745  94.182  1.8917 93.478  1.9232 0.7037888      2.697629  
1 1 1 -9  -8  3  o 139.613 1.9009 962.551  26.194  940.195  36.952  985.133  37.138  137.938 2.7141 141.199 2.6647 -3.261139      3.803524  
1 1 1 -9  -8  4  o 232.973 2.8060 2682.39  64.525  2718.35  91.294  2646.49  91.211  234.369 3.9464 231.243 3.9962 3.126633       5.616394  
1 1 1 -9  -8  5  o 210.339 2.5723 2186.11  53.404  2126.62  75.457  2245.81  75.591  207.325 3.6874 213.069 3.5943 -5.743668      5.149360  
1 1 1 -9  -8  6  o 148.005 1.8888 1081.82  27.593  1084.50  39.018  1079.14  39.028  148.138 2.6685 147.770 2.6758 0.3673096      3.779003  
1 1 1 -9  -8  7  o 105.790 1.4572 552.563  15.216  541.849  21.430  563.456  21.609  104.735 2.0729 106.804 2.0498 -2.068909      2.915254  
1 1 1 -9  -8  8  o 143.132 1.8044 1011.84  25.491  977.495  36.019  1046.31  36.082  140.624 2.5950 145.497 2.5125 -4.873154      3.611987  
1 1 1 -9  -8  9  o 159.204 1.9570 1252.25  30.752  1271.44  43.625  1233.29  43.356  160.332 2.7567 157.905 2.7818 2.427139       3.916322  
1 1 1 -9  -8  10 o 93.179  1.2494 428.732  11.491  434.940  16.309  422.612  16.192  93.825  1.7611 92.485  1.7738 1.340004       2.499591  
1 1 1 -9  -8  11 o 8.2819  3.0993 2.5290   3.4155  1.3007   4.2997  4.6294   5.6227  8.2666  3.3614 10.852  3.9926 -2.585312      5.219151  
1 1 1 -9  -8  12 o 63.064  7.3421 204.140  44.847  197.074  54.733  218.575  78.230  61.236  9.3521 62.935  13.023 -1.699352      16.03305  
1 1 1 -9  -8  13 o 15.533  5.8504 9.0120   12.209  10.591   17.641  7.5603   16.913  17.920  6.9604 16.855  6.7324 1.065037       9.683623  
1 1 1 -9  -7  1  o 31.842  1.3811 50.052   4.3407  48.806   5.9403  51.479   6.3584  31.380  1.9272 32.226  2.0090 -0.8457394     2.783893  
1 1 1 -9  -7  2  o 221.884 2.7977 2432.56  61.271  2431.33  90.756  2433.59  83.056  221.673 4.1479 221.822 3.7934 -0.1498718     5.620974  
1 1 1 -9  -7  3  o 140.053 1.8360 968.556  25.381  955.440  35.800  981.810  35.988  139.062 2.6082 140.969 2.5864 -1.907242      3.673183  
1 1 1 -9  -7  4  o 115.613 1.5575 659.929  17.773  634.304  25.022  686.023  25.250  113.321 2.2371 117.854 2.1707 -4.532394      3.117079  
1 1 1 -9  -7  5  o 71.814  1.0421 254.567  7.3864  267.548  10.615  242.382  10.285  73.615  1.4609 70.067  1.4871 3.548119       2.084635  
1 1 1 -9  -7  6  o 137.384 2.3446 932.426  31.793  804.082  119.033 942.285  32.992  126.225 9.6267 138.104 2.4203 -11.87934      9.926310  
1 1 1 -9  -7  7  o 107.867 1.4235 574.452  15.156  566.480  21.431  582.428  21.436  107.094 2.0275 108.593 1.9999 -1.498268      2.847870  
1 1 1 -9  -7  8  o 96.183  1.3144 456.727  12.478  473.367  17.803  440.658  17.495  97.902  1.8423 94.457  1.8765 3.444221       2.629708  
1 1 1 -9  -7  9  f 73.764  1.2446 268.631  9.0619  266.748  14.708  269.784  11.505  73.481  2.0279 73.913  1.5770 -0.4319458     2.568892  
1 1 1 -9  -7  10 o 72.867  1.0923 262.133  7.8558  252.263  11.016  272.348  11.206  71.468  1.5616 74.259  1.5289 -2.791679      2.185430  
1 1 1 -9  -7  11 o 83.161  1.1690 341.492  9.5953  331.710  13.448  351.639  13.695  81.939  1.6627 84.365  1.6447 -2.426544      2.338706  
1 1 1 -9  -7  12 o 36.436  1.0784 65.555   3.8785  61.741   4.9288  71.759   6.2852  35.353  1.4125 38.106  1.6711 -2.753155      2.188047  
1 1 1 -9  -7  13 o 43.768  1.4645 94.645   6.3266  78.809   10.456  103.790  7.9463  39.797  2.6774 45.822  1.7569 -6.024807      3.202389  
1 1 1 -9  -7  14 o 76.177  2.5697 287.523  19.321  286.678  66.273  287.601  20.199  73.827  9.3011 76.173  2.6865 -2.346214      9.681323  
1 1 1 -9  -6  1  o 307.666 3.6425 4678.85  110.615 4720.41  156.464 4637.33  156.402 308.793 5.1335 306.055 5.1774 2.737579       7.290963  
1 1 1 -9  -6  2  o 170.068 2.1128 1428.27  35.466  1433.26  50.168  1423.28  50.144  170.314 2.9843 169.719 2.9933 0.5942841      4.226836  
1 1 1 -9  -6  3  o 174.474 2.1787 1503.40  37.519  1478.71  53.032  1528.15  53.088  172.971 3.1062 175.842 3.0587 -2.871826      4.359407  
1 1 1 -9  -6  4  o 114.059 1.5661 642.293  17.632  646.875  24.955  637.726  24.915  114.442 2.2092 113.629 2.2214 0.8126450      3.132943  
1 1 1 -9  -6  5  o 175.430 2.1844 1520.07  37.824  1500.86  53.486  1539.29  53.497  174.244 3.1099 176.465 3.0714 -2.220230      4.370932  
1 1 1 -9  -6  6  f 132.520 1.7083 867.144  22.344  846.450  31.546  887.979  31.654  130.894 2.4417 134.069 2.3920 -3.175354      3.418140  
1 1 1 -9  -6  7  o 221.891 3.5996 2435.73  78.837  2240.25  223.916 2463.39  84.231  210.519 10.813 223.113 3.8248 -12.59364      11.46911  
1 1 1 -9  -6  8  o 76.181  1.1265 286.488  8.4704  284.617  12.044  288.319  11.915  75.922  1.6072 76.415  1.5797 -0.4928284     2.253594  
1 1 1 -9  -6  9  f 139.053 1.8021 954.951  24.733  975.949  35.155  934.370  34.804  140.524 2.5346 137.495 2.5645 3.028320       3.605673  
1 1 1 -9  -6  10 o 122.733 1.8430 744.084  22.327  761.205  27.625  711.841  37.911  124.109 2.2551 119.933 3.2025 4.175140       3.916870  
1 1 1 -9  -6  11 o 53.769  1.0309 142.731  5.4711  153.602  7.8973  132.699  7.5867  55.769  1.4347 51.834  1.4829 3.934647       2.063279  
1 1 1 -9  -6  12 o 29.430  1.4189 42.781   4.1217  46.890   5.6996  38.277   5.9675  30.742  1.8875 27.734  2.1980 3.008255       2.897179  
1 1 1 -9  -6  13 o 109.153 1.4893 588.649  16.045  582.106  22.655  595.234  22.728  108.483 2.1158 109.701 2.0990 -1.218452      2.980332  
1 1 1 -9  -6  14 f 33.655  1.3013 55.951   4.3229  56.707   5.4749  54.700   7.0445  33.872  1.6376 33.179  2.1629 0.6930771      2.712858  
1 1 1 -9  -5  1  o 175.028 2.3595 1512.76  40.762  1500.51  50.776  1534.95  68.361  174.289 2.9516 176.216 3.9304 -1.926849      4.915227  
1 1 1 -9  -5  2  o 326.032 4.0363 5256.33  129.892 5322.97  191.687 5199.74  176.625 327.719 5.9260 323.994 5.5231 3.725281       8.100700  
1 1 1 -9  -5  3  o 89.809  1.2464 398.137  11.049  416.558  15.711  380.111  15.542  91.853  1.7329 87.742  1.7946 4.111649       2.494694  
1 1 1 -9  -5  4  o 96.187  1.3271 456.723  12.599  453.644  17.813  459.804  17.823  95.849  1.8829 96.498  1.8712 -0.6488876     2.654572  
1 1 1 -9  -5  5  o 41.706  1.0059 85.856   4.1410  87.498   5.0462  82.469   7.2462  42.101  1.2143 40.867  1.7964 1.233788       2.168314  
1 1 1 -9  -5  6  f 72.081  1.0748 256.468  7.6470  259.264  10.772  253.627  10.858  72.466  1.5059 71.673  1.5348 0.7927704      2.150233  
1 1 1 -9  -5  7  o 109.382 1.4685 590.694  15.854  592.954  22.443  588.442  22.401  109.570 2.0751 109.152 2.0792 0.4178162      2.937579  
1 1 1 -9  -5  8  o 203.095 7.0730 2055.06  141.787 2050.88  200.499 2059.24  200.536 201.914 10.060 202.333 10.041 -0.4184265     14.21406  
1 1 1 -9  -5  9  o 127.460 1.6569 802.229  20.845  806.593  29.593  797.931  29.367  127.769 2.3465 127.082 2.3413 0.6875839      3.314758  
1 1 1 -9  -5  10 o 153.126 1.9919 1158.29  30.106  1140.97  42.097  1176.44  43.073  151.905 2.8077 154.246 2.8292 -2.340805      3.985891  
1 1 1 -9  -5  11 o 236.456 2.9007 2766.30  67.700  2770.97  95.794  2761.64  95.690  236.357 4.1062 235.958 4.1086 0.3988647      5.808748  
1 1 1 -9  -5  12 o 68.151  1.0891 229.319  7.3264  218.295  10.073  241.702  10.676  66.477  1.5351 69.950  1.5462 -3.472794      2.178847  
1 1 1 -9  -5  13 o 87.451  1.2638 377.709  10.909  387.527  15.434  367.907  15.422  88.548  1.7659 86.274  1.8110 2.273911       2.529459  
1 1 1 -9  -5  14 o 78.770  1.2292 306.454  9.5569  303.707  13.158  309.521  13.904  78.388  1.7006 79.129  1.7802 -0.7410126     2.461935  
1 1 1 -9  -5  15 o 50.550  1.2214 126.222  6.0942  133.820  8.2487  117.090  9.0431  52.032  1.6061 48.657  1.8829 3.375027       2.474890  
1 1 1 -9  -4  1  o 73.079  5.9470 266.180  42.525  245.349  60.053  287.132  60.227  69.690  8.9362 75.601  8.2025 -5.911568      12.12998  
1 1 1 -9  -4  2  o 255.516 8.8639 3249.90  223.551 3163.41  273.716 3423.16  387.421 251.506 11.026 259.694 15.180 -8.187531      18.76215  
1 1 1 -9  -4  3  o 53.192  1.2778 139.664  6.7088  133.897  8.9268  147.149  10.169  52.077  1.7367 54.592  1.8873 -2.514317      2.564728  
1 1 1 -9  -4  4  o 136.474 1.9784 919.708  26.649  871.512  32.986  1010.29  45.222  132.826 2.5160 142.970 3.2045 -10.14397      4.074226  
1 1 1 -9  -4  5  o 75.538  1.3465 281.687  10.039  277.634  12.637  288.620  16.528  74.986  1.7074 76.444  2.1905 -1.457550      2.777336  
1 1 1 -9  -4  6  o 37.466  0.9856 69.286   3.6449  70.091   5.2365  68.529   5.0766  37.680  1.4080 37.258  1.3805 0.4218903      1.971838  
1 1 1 -9  -4  7  o 52.458  0.9648 135.829  4.9956  128.033  7.2076  143.036  6.9303  50.925  1.4339 53.828  1.3044 -2.902950      1.938459  
1 1 1 -9  -4  8  o 71.289  1.0575 250.861  7.4408  256.615  10.827  245.711  10.243  72.093  1.5215 70.546  1.4711 1.547287       2.116359  
1 1 1 -9  -4  9  o 300.857 5.6517 4495.50  167.831 4495.50  167.831 0.0000   0.0000  300.857 5.6517 ?       ?      0.000000       5.651709  
1 1 1 -9  -4  10 o 112.118 1.7042 620.774  18.859  598.897  23.554  659.852  31.479  110.103 2.1673 115.532 2.7605 -5.429695      3.509655  
1 1 1 -9  -4  11 o 131.498 1.9604 854.261  25.445  854.629  31.862  853.613  42.278  131.488 2.4550 131.329 3.2615 0.1589050      4.082236  
1 1 1 -9  -4  12 o 42.149  1.2339 87.719   5.1333  85.591   5.9356  94.036   10.225  41.630  1.4445 43.544  2.3881 -1.913521      2.790976  
1 1 1 -9  -4  13 o 73.423  1.5495 266.329  11.230  258.416  15.465  275.156  16.333  72.287  2.1674 74.588  2.2186 -2.300957      3.101559  
1 1 1 -9  -4  14 o 100.486 1.6134 498.987  16.002  496.067  20.074  504.079  26.504  100.153 2.0306 100.882 2.6618 -0.7295761     3.347900  
1 1 1 -9  -4  15 o 61.886  1.9387 189.407  11.842  170.934  17.230  205.947  16.303  58.631  2.9872 64.481  2.5616 -5.849873      3.935126  
1 1 1 -9  -3  1  o 115.731 6.1716 665.047  70.244  723.741  99.379  606.443  99.302  120.442 8.4124 110.069 9.2254 10.37286       12.48504  
1 1 1 -9  -3  2  o 440.189 10.575 9670.96  459.455 9547.67  649.693 9794.32  649.842 434.829 15.138 440.536 14.945 -5.707001      21.27195  
1 1 1 -9  -3  3  o 56.652  5.9901 160.823  32.987  175.965  46.728  145.781  46.575  58.914  8.2630 53.351  9.1753 5.562572       12.34760  
1 1 1 -9  -3  4  o 47.113  6.0540 111.882  27.501  99.878   38.725  124.096  39.062  43.926  9.2254 49.250  8.3328 -5.324253      12.43158  
1 1 1 -9  -3  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -3  6  o 230.515 7.3915 2646.40  168.176 2686.56  237.893 2606.26  237.782 231.225 10.424 227.681 10.581 3.543747       14.85271  
1 1 1 -9  -3  7  o 21.755  6.1470 24.123   13.783  25.371   19.682  22.921   19.308  23.010  7.5250 22.174  7.4597 0.8357468      10.59589  
1 1 1 -9  -3  8  o 137.341 6.3714 937.790  86.371  891.721  122.052 984.000  122.241 133.050 9.3534 139.927 8.8970 -6.876724      12.90899  
1 1 1 -9  -3  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -3  10 o 37.642  6.4802 72.503   23.208  68.874   32.949  76.076   32.695  36.339  9.1824 38.201  8.8454 -1.862511      12.74984  
1 1 1 -9  -3  11 o 89.170  6.1480 397.881  53.781  387.656  76.028  408.123  76.088  87.345  8.9448 89.710  8.7024 -2.364616      12.47963  
1 1 1 -9  -3  12 o 89.029  6.2264 397.691  54.370  388.495  76.190  407.233  77.613  87.225  8.9778 89.342  8.9205 -2.117126      12.65611  
1 1 1 -9  -3  13 o 43.270  2.6017 92.982   11.060  0.0000   0.0000  92.982   11.060  ?       ?      43.270  2.6017 0.000000       2.601690  
1 1 1 -9  -3  14 o 215.576 4.5295 2316.53  96.380  2191.93  217.051 2347.14  107.566 204.779 10.776 216.746 5.0280 -11.96660      11.89161  
1 1 1 -9  -3  15 o 102.194 2.7964 517.586  28.207  489.636  88.114  520.777  29.774  96.980  9.3199 102.486 2.9433 -5.505989      9.773613  
1 1 1 -9  -3  16 f 43.312  3.3904 93.798   14.378  129.787  41.492  88.886   15.328  49.459  8.8231 42.097  3.7274 7.361298       9.578149  
1 1 1 -9  -2  1  o 165.081 6.5805 1349.71  107.224 1323.55  151.577 1375.91  151.699 162.897 9.4681 166.131 9.2884 -3.234070      13.26349  
1 1 1 -9  -2  2  o 196.764 6.9359 1919.46  134.705 1878.36  190.440 1960.61  190.564 193.924 9.9832 198.425 9.7299 -4.501114      13.94045  
1 1 1 -9  -2  3  o 144.819 6.4143 1039.78  91.687  1036.34  129.640 1043.21  129.690 143.954 9.1717 144.438 9.1441 -0.4833679     12.95120  
1 1 1 -9  -2  4  o 71.284  6.0262 253.743  42.003  270.083  59.360  237.357  59.444  73.179  8.3685 68.415  9.0229 4.764328       12.30633  
1 1 1 -9  -2  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  -2  6  o 229.609 4.6411 2611.09  105.182 2420.72  232.196 2660.25  117.981 219.402 10.722 231.663 5.1597 -12.26115      11.89896  
1 1 1 -9  -2  7  o 376.726 5.6373 7042.81  209.619 6983.22  296.492 7102.35  296.399 374.074 8.0301 377.288 7.9592 -3.213959      11.30627  
1 1 1 -9  -2  8  f 102.471 1.3945 518.395  14.105  532.926  20.048  504.153  19.847  103.880 1.9553 101.035 1.9902 2.844467       2.789988  
1 1 1 -9  -2  9  o 37.215  1.1324 68.365   4.1597  61.237   5.8404  75.705   5.9261  35.216  1.6802 39.157  1.5333 -3.941433      2.274667  
1 1 1 -9  -2  10 o 84.194  1.5766 350.020  13.102  208.680  65.427  355.924  13.373  63.438  10.838 84.901  1.5958 -21.46264      10.95497  
1 1 1 -9  -2  11 o 183.385 2.3087 1661.76  41.790  1667.42  59.159  1656.13  59.041  183.584 3.2648 182.961 3.2694 0.6229095      4.620354  
1 1 1 -9  -2  12 o 117.489 1.5554 681.697  18.038  700.753  25.591  662.882  25.428  119.081 2.1773 115.815 2.2244 3.265778       3.112663  
1 1 1 -9  -2  13 o 74.454  1.2155 273.726  8.9325  281.490  12.708  266.144  12.558  75.484  1.7057 73.396  1.7335 2.087578       2.431923  
1 1 1 -9  -2  14 o 152.167 2.0011 1144.85  30.056  1140.83  42.654  1148.81  42.359  151.757 2.8476 152.292 2.8180 -0.5351257     4.006202  
1 1 1 -9  -2  15 o 32.976  1.8938 53.945   6.1380  53.956   7.5891  53.923   10.437  32.934  2.3500 32.802  3.2672 0.1317368      4.024578  
1 1 1 -9  -2  16 o 17.315  3.4391 15.416   5.6703  16.537   6.4231  11.459   12.070  17.901  3.7550 16.351  5.8738 1.550318       6.971465  
1 1 1 -9  -1  1  o 222.982 2.8970 2455.47  63.760  2474.46  90.102  2436.42  90.237  223.770 4.0794 222.040 4.1174 1.729660       5.796083  
1 1 1 -9  -1  2  o 135.321 1.8354 903.995  24.515  902.403  34.681  905.584  34.657  135.181 2.5992 135.419 2.5929 -0.2383118     3.671346  
1 1 1 -9  -1  3  o 134.818 1.9462 897.382  25.899  914.558  36.758  880.451  36.495  136.076 2.7368 133.513 2.7694 2.562759       3.893521  
1 1 1 -9  -1  4  o 81.231  1.2533 325.713  10.049  340.122  15.252  314.661  13.358  82.999  1.8618 79.835  1.6952 3.164024       2.517872  
1 1 1 -9  -1  5  o 88.941  1.4300 390.514  12.554  382.189  18.198  398.073  17.340  87.973  2.0957 89.786  1.9567 -1.813148      2.867170  
1 1 1 -9  -1  6  o 163.704 2.1390 1323.57  34.562  1325.00  51.637  1322.41  46.518  163.718 3.1955 163.583 2.8810 0.1346588      4.302471  
1 1 1 -9  -1  7  o 238.412 3.0334 2809.64  71.382  2820.03  105.861 2800.98  96.664  238.625 4.4946 237.884 4.1169 0.7403259      6.095065  
1 1 1 -9  -1  8  o 276.452 3.7584 3781.41  102.554 3756.48  129.095 3824.04  168.847 275.329 4.7503 277.406 6.1666 -2.077667      7.784096  
1 1 1 -9  -1  9  o 56.376  1.0544 156.887  5.8673  151.882  8.2938  161.901  8.3015  55.464  1.5150 57.264  1.4687 -1.800827      2.110071  
1 1 1 -9  -1  10 o 280.278 3.6537 3887.35  101.077 3770.73  146.694 3992.77  139.468 275.604 5.3926 283.725 4.9802 -8.120575      7.340414  
1 1 1 -9  -1  11 o 169.275 6.7473 1428.58  112.735 1457.76  159.402 1399.37  159.460 169.887 9.5447 166.356 9.7540 3.531586       13.64704  
1 1 1 -9  -1  12 o 49.044  1.1756 118.748  5.6908  123.846  8.0351  113.617  8.0610  50.077  1.6256 47.963  1.7028 2.114178       2.354146  
1 1 1 -9  -1  13 o 39.686  1.4083 77.779   5.5163  80.539   7.8582  75.097   7.7455  40.371  1.9721 38.930  2.0227 1.441406       2.824969  
1 1 1 -9  -1  14 f 118.993 1.6341 699.600  19.193  684.983  27.020  714.485  27.268  117.674 2.3264 120.185 2.2986 -2.510689      3.270415  
1 1 1 -9  -1  15 o 108.383 1.5740 580.482  16.838  562.751  23.593  598.891  24.039  106.644 2.2413 110.019 2.2137 -3.374611      3.150236  
1 1 1 -9  -1  16 o 22.868  2.4911 26.204   5.5319  24.230   7.2618  28.934   8.5390  21.815  3.4902 23.835  3.7538 -2.019909      5.125642  
1 1 1 -9  0   1  o 219.781 3.8393 2386.67  83.287  2275.49  218.813 2405.50  90.066  213.814 10.368 220.626 4.1359 -6.811539      11.16267  
1 1 1 -9  0   2  o 199.221 2.5057 1959.84  49.271  2064.91  69.832  1855.68  69.529  204.439 3.4606 193.794 3.6349 10.64520       5.018822  
1 1 1 -9  0   3  o 226.938 3.3071 2544.57  74.077  2597.38  104.757 2491.75  104.764 229.154 4.6315 224.435 4.7292 4.718689       6.619385  
1 1 1 -9  0   4  o 175.672 2.2172 1523.95  38.444  1548.70  52.178  1494.56  56.860  177.050 2.9858 173.905 3.3126 3.144714       4.459593  
1 1 1 -9  0   5  o 167.848 2.2386 1391.39  37.088  1404.84  52.518  1378.00  52.382  168.599 3.1559 166.979 3.1782 1.620193       4.478940  
1 1 1 -9  0   6  f 59.654  1.1193 175.661  6.5905  187.266  9.0584  162.609  9.6067  61.589  1.4901 57.388  1.6960 4.200737       2.257596  
1 1 1 -9  0   7  o 133.811 1.9200 884.235  25.359  864.845  36.312  902.695  35.430  132.290 2.7809 135.161 2.6557 -2.871841      3.845336  
1 1 1 -9  0   8  f 85.033  1.2408 356.944  10.414  353.888  14.429  360.266  15.045  84.657  1.7268 85.415  1.7845 -0.7578201     2.483255  
1 1 1 -9  0   9  o 72.143  1.2768 256.936  9.0917  253.137  11.523  263.201  14.798  71.600  1.6305 72.999  2.0538 -1.398666      2.622303  
1 1 1 -9  0   10 o 114.401 1.6381 646.250  18.497  628.321  26.279  663.854  26.040  112.770 2.3609 115.920 2.2759 -3.149521      3.279268  
1 1 1 -9  0   11 o 155.150 2.0400 1189.07  31.240  1106.66  45.831  1260.58  42.695  149.587 3.1041 159.691 2.7087 -10.10434      4.119767  
1 1 1 -9  0   12 f 368.053 5.6097 6738.75  203.790 6843.58  224.628 6251.12  484.487 370.614 6.1406 347.203 14.137 23.41122       15.41329  
1 1 1 -9  0   13 o 58.558  1.2171 169.307  7.0348  163.323  10.109  174.926  9.7959  57.498  1.7812 59.509  1.6677 -2.010960      2.440071  
1 1 1 -9  0   14 o 92.944  1.4493 426.693  13.295  440.912  19.102  413.332  18.516  94.440  2.0493 91.438  2.0516 3.001534       2.899765  
1 1 1 -9  0   15 o 68.852  1.2620 234.145  8.5768  231.386  11.997  237.031  12.266  68.418  1.7765 69.246  1.7947 -0.8283310     2.525249  
1 1 1 -9  0   16 o 109.415 1.5935 591.684  17.209  576.036  24.265  607.520  24.410  107.878 2.2788 110.793 2.2322 -2.915573      3.189922  
1 1 1 -9  0   17 o 91.610  1.5088 414.789  13.643  405.160  18.722  425.691  19.921  90.478  2.0964 92.732  2.1765 -2.253891      3.021869  
1 1 1 -9  1   1  o 101.840 1.3789 511.931  13.861  535.155  19.854  489.847  19.360  104.117 1.9319 99.612  1.9691 4.505508       2.758544  
1 1 1 -9  1   2  o 184.354 2.9280 1678.62  53.279  1478.43  166.780 1701.37  56.225  172.038 9.8628 185.592 3.0693 -13.55385      10.32939  
1 1 1 -9  1   3  o 103.088 1.6637 524.619  16.928  522.798  23.942  526.440  23.939  102.893 2.3574 103.251 2.3490 -0.3580475     3.327894  
1 1 1 -9  1   4  o 100.133 1.4856 494.971  14.683  493.737  20.930  496.168  20.604  99.995  2.1206 100.241 2.0824 -0.2469177     2.972130  
1 1 1 -9  1   5  o 105.126 1.6521 545.619  17.143  553.680  27.108  540.247  22.130  105.869 2.5941 104.593 2.1436 1.276230       3.365179  
1 1 1 -9  1   6  o 217.435 2.6575 2335.91  57.034  2271.18  80.645  2400.68  80.671  214.273 3.8131 220.310 3.7098 -6.037918      5.319965  
1 1 1 -9  1   7  o 170.960 2.3406 1443.81  39.497  1441.64  56.441  1445.90  55.290  170.745 3.3490 171.005 3.2757 -0.2594452     4.684672  
1 1 1 -9  1   8  o 66.076  1.1352 215.524  7.4036  205.533  10.702  224.695  10.253  64.517  1.6806 67.461  1.5398 -2.943314      2.279335  
1 1 1 -9  1   9  o 182.496 2.4110 1645.50  43.429  1711.67  64.932  1591.94  58.419  186.008 3.5367 179.413 3.2989 6.595001       4.836390  
1 1 1 -9  1   10 o 110.024 1.5933 597.728  17.302  603.028  24.694  592.617  24.250  110.482 2.2645 109.525 2.2432 0.9568481      3.187475  
1 1 1 -9  1   11 o 240.686 3.2378 2865.56  76.920  2853.93  108.435 2877.33  109.130 239.921 4.5790 240.900 4.5896 -0.9791565     6.483144  
1 1 1 -9  1   12 o 54.316  1.5161 145.680  8.1278  146.428  9.8230  144.058  14.473  54.448  1.8278 53.909  2.7289 0.5386696      3.284516  
1 1 1 -9  1   13 f 151.311 2.0878 1131.40  31.181  1099.58  42.398  1168.89  46.016  149.080 2.8813 153.686 3.0335 -4.606064      4.183811  
1 1 1 -9  1   14 o 103.126 1.7959 525.504  18.280  550.424  30.769  511.909  22.726  105.430 2.9567 101.746 2.2630 3.684685       3.723325  
1 1 1 -9  1   15 o 52.747  1.3011 137.422  6.7739  138.645  9.3895  136.095  9.7819  52.961  1.7962 52.467  1.8889 0.4937553      2.606570  
1 1 1 -9  1   16 o 131.463 2.0848 855.056  27.052  829.343  33.665  901.922  45.450  129.375 2.6363 134.734 3.4176 -5.359848      4.316275  
1 1 1 -9  1   17 o 78.586  6.3650 314.497  48.948  316.195  68.954  312.772  69.494  77.540  9.1882 77.043  9.3287 0.4966660      13.09381  
1 1 1 -9  2   1  o 249.973 3.6703 3087.41  90.559  3071.37  128.075 3103.44  128.064 249.176 5.2074 250.477 5.1800 -1.300385      7.345037  
1 1 1 -9  2   2  o 127.150 2.0897 798.212  26.226  796.792  37.089  799.633  37.088  127.010 2.9585 127.237 2.9532 -0.2264633     4.180199  
1 1 1 -9  2   3  o 175.588 6.7223 1529.09  116.505 1521.53  164.730 1536.67  164.796 174.451 9.6037 175.330 9.5587 -0.8792267     13.54994  
1 1 1 -9  2   4  o 84.785  1.4109 354.853  11.807  363.330  16.870  346.714  16.530  85.781  1.9925 83.796  1.9986 1.984482       2.822084  
1 1 1 -9  2   5  o 89.738  1.4015 397.535  12.413  417.333  17.137  375.680  18.005  91.934  1.8885 87.221  2.0915 4.713531       2.817930  
1 1 1 -9  2   6  o 57.631  1.0474 163.944  5.9581  175.032  8.0449  150.473  8.8668  59.544  1.3688 55.206  1.6272 4.338638       2.126399  
1 1 1 -9  2   7  o 127.679 1.7950 805.000  22.621  840.140  34.269  777.862  30.115  130.391 2.6627 125.479 2.4316 4.912720       3.605857  
1 1 1 -9  2   8  o 57.903  1.1472 165.506  6.5566  166.009  9.2730  165.004  9.2719  57.984  1.6202 57.808  1.6250 0.1758881      2.294717  
1 1 1 -9  2   9  o 210.849 2.6248 2197.02  54.626  2209.98  77.335  2184.12  77.172  211.327 3.7076 210.085 3.7216 1.241760       5.253219  
1 1 1 -9  2   10 o 114.618 1.7077 648.737  19.320  661.286  28.181  637.610  26.537  115.683 2.4681 113.599 2.3667 2.084023       3.419469  
1 1 1 -9  2   11 o 135.285 1.8895 903.959  25.231  917.940  34.273  887.417  37.281  136.283 2.5479 133.977 2.8192 2.306717       3.799937  
1 1 1 -9  2   12 o 79.977  1.3096 315.805  10.338  308.888  14.367  323.231  14.887  79.080  1.8407 80.894  1.8645 -1.814240      2.619987  
1 1 1 -9  2   13 o 101.402 2.0835 508.104  20.853  468.560  86.408  510.549  21.488  95.826  9.2506 101.642 2.1419 -5.816338      9.495329  
1 1 1 -9  2   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  2   15 o 53.174  7.6421 146.117  38.957  157.327  47.573  123.297  67.876  54.726  9.1286 47.218  13.737 7.507458       16.49327  
1 1 1 -9  2   16 o 34.065  7.1630 61.036   23.321  45.350   32.454  77.782   33.533  29.790  9.6587 38.087  9.0531 -8.296862      13.23815  
1 1 1 -9  2   17 o 129.077 1.8383 824.005  23.420  794.423  32.976  854.114  33.268  126.595 2.6391 131.280 2.5674 -4.685379      3.681848  
1 1 1 -9  3   1  o 220.343 2.9166 2397.99  63.432  2441.14  89.921  2355.26  89.494  222.231 4.0994 218.282 4.1538 3.948700       5.836006  
1 1 1 -9  3   2  o 122.314 1.9515 738.630  23.560  729.606  33.320  747.653  33.319  121.540 2.7775 123.035 2.7436 -1.495155      3.904100  
1 1 1 -9  3   3  o 156.006 2.3211 1201.87  35.742  1188.84  53.628  1212.29  47.942  155.096 3.5032 156.643 3.1008 -1.546326      4.678349  
1 1 1 -9  3   4  o 80.527  1.9011 320.177  15.110  320.177  15.110  0.0000   0.0000  80.527  1.9011 ?       ?      0.000000       1.901083  
1 1 1 -9  3   5  o 282.953 3.6965 3959.32  103.237 3907.32  145.959 4011.38  146.040 280.794 5.2663 284.523 5.2002 -3.729126      7.401124  
1 1 1 -9  3   6  o 95.002  1.4663 445.578  13.749  429.722  19.571  461.029  19.320  93.278  2.1257 96.619  2.0258 -3.341385      2.936462  
1 1 1 -9  3   7  o 98.621  1.4443 480.190  14.059  475.178  21.234  484.101  18.760  98.081  2.1934 99.008  1.9197 -0.9268112     2.914828  
1 1 1 -9  3   8  o 79.807  1.3246 314.434  10.434  326.749  15.788  304.883  13.904  81.338  1.9665 78.574  1.7927 2.763718       2.661004  
1 1 1 -9  3   9  o 151.291 2.1896 1130.71  32.696  1138.90  46.434  1122.65  46.048  151.764 3.0998 150.678 3.0962 1.086746       4.381231  
1 1 1 -9  3   10 o 58.186  1.3029 167.145  7.4829  168.672  10.765  165.717  10.409  58.440  1.8663 57.927  1.8205 0.5131760      2.607122  
1 1 1 -9  3   11 o 137.617 2.1218 935.594  28.821  909.459  36.801  977.051  46.350  135.634 2.7489 140.526 3.3416 -4.892441      4.327010  
1 1 1 -9  3   12 o 139.019 6.5244 963.976  89.525  945.076  127.436 982.391  125.795 136.531 9.5160 139.332 9.1988 -2.801056      13.23526  
1 1 1 -9  3   13 o 155.418 6.6852 1207.74  102.552 1234.83  143.840 1179.72  146.252 155.911 9.3907 152.194 9.7877 3.717789       13.56409  
1 1 1 -9  3   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  3   15 o 31.781  1.2929 49.885   4.0558  48.232   4.6626  55.025   8.2216  31.245  1.5119 33.246  2.5243 -2.000744      2.942422  
1 1 1 -9  3   16 o 107.928 1.6421 575.779  17.494  571.760  25.348  579.434  24.173  107.457 2.3899 108.194 2.2636 -0.7371368     3.291707  
1 1 1 -9  3   17 o 116.189 1.7255 667.516  19.788  662.258  28.015  672.751  27.954  115.617 2.4549 116.534 2.4303 -0.9168549     3.454441  
1 1 1 -9  3   18 f 139.145 2.3508 959.429  32.287  927.691  54.240  976.845  40.181  136.286 4.0321 140.252 2.9025 -3.966736      4.968172  
1 1 1 -9  4   1  o 207.328 2.5665 2122.84  52.521  2121.63  74.300  2124.04  74.252  207.197 3.6331 207.316 3.6286 -0.1181030     5.134791  
1 1 1 -9  4   2  o 245.257 3.2895 2972.20  79.630  3030.59  112.638 2913.85  112.591 247.508 4.6107 242.682 4.7004 4.825150       6.584192  
1 1 1 -9  4   3  o 210.124 3.1161 2181.64  64.628  2115.14  91.303  2248.41  91.493  206.764 4.4738 213.193 4.3479 -6.428986      6.238549  
1 1 1 -9  4   4  o 82.591  1.3228 336.728  10.784  307.240  15.114  367.309  15.391  78.881  1.9412 86.251  1.8079 -7.370087      2.652667  
1 1 1 -9  4   5  o 144.231 2.8538 1027.96  40.628  1010.99  42.685  1191.45  132.469 143.024 3.0236 154.212 8.7388 -11.18764      9.247154  
1 1 1 -9  4   6  o 185.624 2.6084 1702.51  47.790  1696.92  67.708  1708.05  67.462  185.207 3.7038 185.817 3.6783 -0.6093445     5.219945  
1 1 1 -9  4   7  o 194.097 2.8093 1862.05  53.822  1891.27  90.325  1845.97  67.019  195.353 4.6844 193.175 3.5149 2.178101       5.856455  
1 1 1 -9  4   8  o 115.112 1.6190 654.294  18.395  634.832  26.076  673.573  25.953  113.355 2.3306 116.767 2.2518 -3.411850      3.240723  
1 1 1 -9  4   9  o 86.051  1.6374 365.644  13.908  390.209  19.713  341.298  19.624  88.873  2.2472 83.110  2.3922 5.762077       3.282193  
1 1 1 -9  4   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  4   11 o 129.338 6.3691 833.380  81.309  783.418  114.747 883.765  115.231 124.379 9.4166 132.328 8.8738 -7.948555      12.93891  
1 1 1 -9  4   12 o 74.467  2.8102 274.231  20.655  435.527  69.909  258.803  21.621  92.934  7.6904 72.331  3.0284 20.60357       8.265163  
1 1 1 -9  4   13 o 46.307  1.3499 105.886  6.1702  103.184  9.7069  107.719  7.9927  45.694  2.1522 46.698  1.7341 -1.004639      2.763893  
1 1 1 -9  4   14 o 116.280 1.7808 668.076  20.439  654.101  29.471  681.028  28.372  114.982 2.5967 117.341 2.4496 -2.358978      3.569833  
1 1 1 -9  4   15 o 70.911  1.9166 248.589  13.415  246.449  13.728  293.843  63.118  70.602  1.9700 75.409  8.6358 -4.807121      8.857622  
1 1 1 -9  4   16 o 118.694 1.8052 696.613  21.149  721.488  29.021  668.440  30.884  120.699 2.4360 116.132 2.6943 4.567131       3.632256  
1 1 1 -9  4   17 o 23.500  1.6327 27.434   3.7636  24.245   4.1297  43.062   9.1431  22.055  1.9161 29.266  3.2183 -7.210852      3.745510  
1 1 1 -9  4   18 o 27.697  2.6588 38.404   7.1795  35.071   9.9518  42.021   10.368  26.220  3.9696 28.797  3.7355 -2.577841      5.450847  
1 1 1 -9  5   1  o 281.508 4.1603 3919.01  115.598 3888.41  163.373 3949.70  163.589 280.114 5.9090 282.321 5.8705 -2.206573      8.329408  
1 1 1 -9  5   2  o 160.197 2.7409 1267.72  43.339  1238.26  61.291  1297.19  61.291  158.245 3.9240 161.974 3.8337 -3.729126      5.485944  
1 1 1 -9  5   3  o 58.292  1.2185 167.727  7.0110  178.822  9.8637  156.399  9.9671  60.183  1.6605 56.282  1.7942 3.901505       2.444643  
1 1 1 -9  5   4  o 158.583 2.2849 1242.13  35.766  1286.60  50.770  1198.32  50.392  161.336 3.1882 155.696 3.2791 5.640335       4.573509  
1 1 1 -9  5   5  o 190.850 2.6314 1799.69  49.570  1762.32  70.010  1837.26  70.195  188.744 3.7580 192.723 3.6901 -3.979218      5.266805  
1 1 1 -9  5   6  o 142.642 1.9233 1004.84  27.079  989.929  39.907  1017.57  36.864  141.521 2.8569 143.502 2.6026 -1.980377      3.864631  
1 1 1 -9  5   7  o 122.025 6.3676 742.734  76.428  721.044  108.036 764.464  108.134 119.528 9.2287 123.172 8.9557 -3.643951      12.85977  
1 1 1 -9  5   8  o 41.285  7.0889 87.328   27.847  81.634   39.047  93.220   39.725  39.509  10.003 42.229  9.7305 -2.720905      13.95510  
1 1 1 -9  5   9  o 219.822 10.410 2440.92  225.867 2511.47  319.343 2370.29  319.504 219.989 14.793 213.349 15.273 6.640121       21.26283  
1 1 1 -9  5   10 o 90.236  2.0886 402.248  18.602  389.823  26.360  414.573  26.255  88.784  3.0080 91.566  2.9050 -2.781387      4.181731  
1 1 1 -9  5   11 o 179.748 2.3019 1596.57  40.839  1563.78  57.797  1629.26  57.714  177.773 3.2939 181.467 3.2221 -3.693954      4.607797  
1 1 1 -9  5   12 o 65.082  1.2680 209.125  8.1453  204.893  10.918  214.436  12.232  64.408  1.7174 65.886  1.8809 -1.477730      2.547016  
1 1 1 -9  5   13 o 190.000 2.7483 1785.73  51.541  1678.63  64.202  1979.87  86.440  184.076 3.5336 199.706 4.3852 -15.63040      5.631720  
1 1 1 -9  5   14 f 113.512 1.8331 636.699  20.538  651.414  27.176  617.102  31.363  114.764 2.3991 111.651 2.8459 3.112633       3.722205  
1 1 1 -9  5   15 o 56.581  1.2284 158.110  6.8602  155.529  9.4395  161.000  9.9871  56.099  1.7048 57.074  1.7728 -0.9749794     2.459516  
1 1 1 -9  5   16 o 39.378  1.3814 76.613   5.3691  74.080   6.4153  82.537   9.8098  38.711  1.6790 40.749  2.4504 -2.038048      2.970440  
1 1 1 -9  5   17 o 54.815  1.4750 148.505  7.9801  147.153  11.065  149.971  11.520  54.526  2.0560 55.041  2.1204 -0.5145493     2.953505  
1 1 1 -9  5   18 o 52.308  1.4280 135.242  7.3727  126.670  12.184  140.194  9.2604  50.548  2.4421 53.235  1.7624 -2.687737      3.011625  
1 1 1 -9  6   1  o 203.088 2.4989 2037.25  50.091  2003.93  70.837  2070.58  70.842  201.331 3.5646 204.658 3.5069 -3.326645      5.000525  
1 1 1 -9  6   2  o 69.891  1.5495 241.153  10.689  259.814  18.465  231.748  13.109  72.522  2.5796 68.507  1.9386 4.014618       3.226858  
1 1 1 -9  6   3  o 195.356 2.5348 1885.34  48.877  1866.33  69.147  1904.33  69.099  194.268 3.6061 196.241 3.5674 -1.972183      5.072484  
1 1 1 -9  6   4  o 185.177 3.1691 1695.17  57.924  1642.00  81.730  1748.83  82.104  182.086 4.5475 187.934 4.4262 -5.847610      6.345889  
1 1 1 -9  6   5  o 100.586 6.2751 504.833  61.990  511.137  88.570  498.781  86.791  100.638 9.0119 99.422  8.9398 1.216171       12.69384  
1 1 1 -9  6   6  o 267.285 7.8767 3568.97  207.803 3588.50  293.934 3549.45  293.821 266.384 11.179 264.897 11.238 1.486511       15.85107  
1 1 1 -9  6   7  o 137.610 6.4519 942.676  87.633  937.560  124.055 947.773  123.809 136.314 9.2754 137.080 9.2039 -0.7666321     13.06694  
1 1 1 -9  6   8  o 109.567 1.9998 592.985  21.627  588.181  26.008  603.753  38.937  109.101 2.4152 110.453 3.5716 -1.351761      4.311522  
1 1 1 -9  6   9  o 166.135 2.6973 1364.40  44.231  1379.39  59.438  1345.80  66.214  166.936 3.6073 164.824 4.0700 2.111801       5.438511  
1 1 1 -9  6   10 f 121.527 1.7088 729.372  20.497  717.032  28.936  741.799  29.039  120.451 2.4339 122.516 2.4014 -2.064796      3.419090  
1 1 1 -9  6   11 o 108.122 1.7349 577.384  18.515  577.081  25.722  577.711  26.672  108.055 2.4117 108.108 2.4996 -0.5302429E-01 3.473333  
1 1 1 -9  6   12 o 31.005  2.0968 47.717   6.3791  51.428   9.0248  44.012   9.0181  32.116  2.8775 29.659  3.1276 2.456707       4.249929  
1 1 1 -9  6   13 o 80.607  1.3781 320.854  10.964  319.252  14.667  322.884  16.507  80.386  1.8486 80.830  2.0690 -0.4448547     2.774552  
1 1 1 -9  6   14 o 129.153 2.0065 824.511  25.579  818.449  37.934  829.566  34.637  128.554 2.9896 129.464 2.7106 -0.9102936     4.035446  
1 1 1 -9  6   15 o 65.187  1.4329 209.927  9.2193  210.263  13.033  209.591  13.043  65.206  2.0250 65.102  2.0298 0.1045609      2.867161  
1 1 1 -9  6   16 o 69.806  1.9752 241.071  13.609  265.737  84.877  240.420  13.788  69.061  12.927 69.710  2.0038 -0.6487656     13.08109  
1 1 1 -9  6   17 o 129.241 1.9053 826.458  24.305  801.607  34.301  851.518  34.445  127.109 2.7340 131.025 2.6634 -3.915138      3.816853  
1 1 1 -9  6   18 o 27.481  2.9704 37.958   7.9291  28.897   9.4701  59.205   14.502  23.695  4.2031 34.106  4.4111 -10.41148      6.092907  
1 1 1 -9  7   1  o 65.696  6.3268 216.312  40.518  226.880  57.999  206.237  56.628  66.785  9.0300 63.562  9.3013 3.222755       12.96367  
1 1 1 -9  7   2  o 251.330 7.6773 3148.14  190.452 3160.42  269.343 3135.85  269.337 250.585 10.890 249.590 10.933 0.9954681      15.43095  
1 1 1 -9  7   3  o 106.848 6.2785 569.255  65.924  593.110  93.169  545.336  93.292  108.554 8.7703 103.961 9.1861 4.592461       12.70050  
1 1 1 -9  7   4  o 78.182  6.2958 305.824  48.172  317.745  67.644  293.557  68.618  79.200  8.8020 75.962  9.3492 3.238174       12.84068  
1 1 1 -9  7   5  o 117.828 5.8796 689.911  68.380  766.037  96.221  612.237  97.195  123.567 7.9311 110.137 9.0199 13.42990       12.01087  
1 1 1 -9  7   6  o 225.234 3.0147 2508.46  67.021  2524.62  94.790  2492.30  94.775  225.744 4.2541 224.288 4.2811 1.455261       6.035331  
1 1 1 -9  7   7  o 126.922 6.5000 804.471  81.157  787.608  114.010 821.794  115.552 124.809 9.3220 127.529 9.2426 -2.719376      13.12723  
1 1 1 -9  7   8  o 58.567  1.1950 169.339  6.9078  168.666  9.9304  169.969  9.6154  58.441  1.7216 58.667  1.6605 -0.2268143     2.391856  
1 1 1 -9  7   9  o 30.038  1.1103 44.543   3.2920  40.335   4.5340  49.234   4.7876  28.534  1.6165 31.576  1.5361 -3.042406      2.229957  
1 1 1 -9  7   10 o 123.031 2.0264 747.789  24.608  773.526  29.239  685.297  45.562  125.107 2.3678 117.612 3.9248 7.495140       4.583718  
1 1 1 -9  7   11 o 242.367 3.0033 2906.03  71.847  2896.75  101.652 2915.29  101.563 241.685 4.2612 242.462 4.2438 -0.7772522     6.013979  
1 1 1 -9  7   12 o 94.726  1.6630 443.197  15.548  442.344  21.990  444.050  21.988  94.596  2.3551 94.779  2.3503 -0.1824951     3.327284  
1 1 1 -9  7   13 o 103.445 1.6055 528.570  16.393  522.796  22.967  534.567  23.406  102.835 2.2627 103.984 2.2804 -1.149773      3.212507  
1 1 1 -9  7   14 o 117.282 1.8964 679.839  21.953  669.437  32.380  688.688  29.864  116.276 2.8214 117.970 2.5648 -1.693512      3.812891  
1 1 1 -9  7   15 o 33.781  1.3274 56.370   4.4259  54.330   9.5429  56.928   4.9956  32.973  2.9638 33.944  1.4911 -0.9708252     3.317752  
1 1 1 -9  7   16 o 88.432  1.5872 386.573  13.854  390.032  19.714  383.197  19.473  88.754  2.2504 87.974  2.2426 0.7801132      3.176989  
1 1 1 -9  7   17 o 119.880 6.6465 734.606  78.337  705.036  109.495 765.612  112.122 115.213 9.7193 120.253 9.5243 -5.040245      13.60797  
1 1 1 -9  7   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  8   1  o 37.310  7.1997 71.661   25.553  72.806   35.924  70.488   36.355  37.389  9.6640 36.822  9.8218 0.5676193      13.77900  
1 1 1 -9  8   2  f 137.433 6.4664 939.618  87.718  881.058  124.221 997.860  123.883 132.125 9.5907 140.844 8.9578 -8.719437      13.12340  
1 1 1 -9  8   3  f 201.407 2.7338 2004.93  54.347  1963.21  76.783  2046.82  76.933  199.146 3.9063 203.354 3.8329 -4.207901      5.472640  
1 1 1 -9  8   4  o 74.540  1.2838 274.306  9.4457  264.249  13.220  284.795  13.501  73.148  1.8310 75.940  1.8012 -2.791405      2.568455  
1 1 1 -9  8   5  o 157.590 2.4077 1227.19  37.451  1251.16  50.688  1198.37  55.576  159.042 3.2289 155.605 3.6185 3.436737       4.849733  
1 1 1 -9  8   6  o 197.691 3.0204 1932.74  58.937  1943.38  83.353  1922.11  83.347  198.031 4.2644 196.940 4.2877 1.090820       6.047243  
1 1 1 -9  8   7  o 133.790 2.0514 884.265  27.090  889.958  40.237  879.544  36.637  134.141 3.0390 133.378 2.7829 0.7639008      4.120693  
1 1 1 -9  8   8  o 128.418 2.8297 815.466  35.868  815.466  35.868  0.0000   0.0000  128.418 2.8297 ?       ?      0.000000       2.829719  
1 1 1 -9  8   9  o 166.110 2.3648 1363.67  38.772  1365.22  54.700  1362.11  54.964  166.088 3.3367 165.896 3.3567 0.1921387      4.732960  
1 1 1 -9  8   10 o 65.376  1.2747 211.022  8.2253  207.503  11.207  215.131  12.110  64.816  1.7517 65.993  1.8592 -1.177322      2.554427  
1 1 1 -9  8   11 o 240.111 3.3275 2854.30  78.862  2808.82  114.550 2895.28  108.733 237.759 4.8812 241.494 4.5616 -3.735138      6.680916  
1 1 1 -9  8   12 o 60.167  1.2542 178.748  7.4482  175.105  10.369  182.631  10.706  59.537  1.7645 60.802  1.7839 -1.265240      2.509106  
1 1 1 -9  8   13 o 89.164  1.5955 392.722  14.042  378.914  19.461  407.719  20.281  87.543  2.2522 90.808  2.2627 -3.265724      3.192516  
1 1 1 -9  8   14 o 45.784  1.0721 103.504  4.8449  106.663  7.8341  101.546  6.1654  46.460  1.7084 45.342  1.3776 1.117886       2.194617  
1 1 1 -9  8   15 o 45.459  6.9805 106.938  30.320  106.212  42.590  107.685  43.174  44.392  9.9647 44.683  10.035 -0.2914238     14.14175  
1 1 1 -9  8   16 o 97.206  6.6266 482.404  63.200  442.061  88.223  524.933  90.581  91.152  9.9682 99.855  9.2973 -8.702782      13.63099  
1 1 1 -9  8   17 o 21.875  1.1140 23.701   2.3973  23.739   2.4350  22.511   13.685  21.892  1.1307 20.874  6.1946 1.017914       6.296928  
1 1 1 -9  8   18 o 17.055  1.7997 14.555   2.9839  14.055   3.0734  22.748   12.450  16.744  1.8928 20.857  5.8244 -4.112923      6.124236  
1 1 1 -9  9   1  o 178.029 2.3704 1566.06  41.654  1539.27  56.414  1598.16  61.763  176.409 3.2399 179.721 3.4817 -3.311554      4.755997  
1 1 1 -9  9   2  o 84.371  1.4297 351.465  11.906  357.401  16.774  345.438  16.902  85.063  1.9978 83.625  2.0477 1.437553       2.860842  
1 1 1 -9  9   3  o 185.693 2.5984 1704.31  47.625  1717.67  67.347  1690.95  67.357  186.282 3.6628 184.823 3.6923 1.459000       5.200862  
1 1 1 -9  9   4  o 29.032  2.0496 41.845   5.8356  47.508   8.9476  37.654   7.6981  30.853  2.9751 27.445  2.8849 3.407671       4.144110  
1 1 1 -9  9   5  o 29.941  2.0491 44.493   6.0192  40.145   9.2093  47.735   7.9530  28.285  3.3646 30.965  2.6269 -2.679474      4.268679  
1 1 1 -9  9   6  o 96.692  1.5779 461.688  15.059  471.845  21.379  451.687  21.215  97.721  2.2165 95.609  2.2480 2.111885       3.156994  
1 1 1 -9  9   7  o 139.532 2.1287 961.930  29.316  985.889  41.552  938.183  41.368  141.181 2.9818 137.717 3.0433 3.464584       4.260617  
1 1 1 -9  9   8  o 235.321 3.1591 2740.02  73.376  2690.05  103.656 2790.20  103.883 232.852 4.5101 237.167 4.4377 -4.314941      6.327221  
1 1 1 -9  9   9  o 98.657  2.1129 480.936  20.575  485.237  21.210  412.349  84.698  99.094  2.1685 89.784  9.7121 9.310028       9.951292  
1 1 1 -9  9   10 o 51.460  1.3650 130.761  6.9333  143.775  11.104  122.446  8.8761  53.941  2.0856 49.787  1.8062 4.153957       2.759035  
1 1 1 -9  9   11 o 95.503  1.5769 450.478  14.865  460.004  21.276  441.395  20.776  96.471  2.2344 94.500  2.2274 1.971085       3.154997  
1 1 1 -9  9   12 o 95.056  1.5936 446.309  14.952  445.270  21.556  447.272  20.756  94.900  2.3013 95.120  2.2108 -0.2196503     3.191153  
1 1 1 -9  9   13 o 107.660 2.1910 573.110  23.282  557.267  28.381  605.711  40.712  106.108 2.7099 110.481 3.7334 -4.372452      4.613185  
1 1 1 -9  9   14 o 53.349  6.9031 145.892  35.498  158.419  49.627  132.768  50.797  54.779  9.5241 49.669  10.679 5.110325       14.30890  
1 1 1 -9  9   15 o 74.006  2.3172 271.166  16.926  195.962  61.877  277.249  17.598  60.201  10.811 74.825  2.3827 -14.62407      11.07019  
1 1 1 -9  9   16 o 39.768  1.5640 78.192   6.1390  77.772   6.8974  79.796   13.467  39.652  1.7623 39.890  3.4545 -0.2378769     3.878081  
1 1 1 -9  9   17 o 66.654  1.8103 219.861  11.910  218.867  16.984  220.824  16.706  66.408  2.5911 66.712  2.5370 -0.3038788     3.626340  
1 1 1 -9  9   18 o 11.741  2.2039 7.0547   2.4602  0.0000   0.0000  7.0547   2.4602  ?       ?      11.741  2.2039 0.000000       2.203897  
1 1 1 -9  10  1  o 114.720 1.7526 649.979  19.845  655.178  27.939  644.686  28.192  115.138 2.4585 114.209 2.5009 0.9284210      3.506927  
1 1 1 -9  10  2  o 45.600  1.1484 102.654  5.1688  103.820  7.4493  101.571  7.1778  45.851  1.6460 45.352  1.6035 0.4987183      2.297925  
1 1 1 -9  10  3  o 122.392 1.9672 739.974  23.765  769.710  33.931  711.344  33.295  124.770 2.7552 119.942 2.8124 4.828445       3.937072  
1 1 1 -9  10  4  o 84.528  1.5390 352.828  12.840  359.157  18.163  346.505  18.155  85.259  2.1583 83.742  2.1964 1.516891       3.079373  
1 1 1 -9  10  5  o 95.260  1.5228 448.107  14.319  444.340  20.608  451.623  19.909  94.828  2.2017 95.607  2.1098 -0.7787628     3.049358  
1 1 1 -9  10  6  o 94.368  1.5535 439.776  14.470  448.157  20.429  431.338  20.498  95.235  2.1733 93.428  2.2228 1.806747       3.108739  
1 1 1 -9  10  7  o 94.249  1.5864 438.687  14.758  440.870  20.873  436.506  20.868  94.452  2.2389 93.982  2.2495 0.4692154      3.173852  
1 1 1 -9  10  8  o 58.549  1.3179 169.257  7.6158  168.428  10.614  170.137  10.934  58.391  1.8416 58.686  1.8877 -0.2940445     2.637161  
1 1 1 -9  10  9  o 35.289  1.4790 61.496   5.1515  77.154   10.046  55.910   6.0006  39.415  2.5967 33.593  1.8165 5.822056       3.168951  
1 1 1 -9  10  10 o 105.218 1.7065 546.856  17.723  531.495  25.208  561.870  24.922  103.679 2.4633 106.608 2.3684 -2.929070      3.417212  
1 1 1 -9  10  11 o 70.157  1.5438 243.102  10.690  255.104  15.513  232.249  14.752  71.839  2.1877 68.545  2.1804 3.293221       3.088756  
1 1 1 -9  10  12 o 101.921 6.4155 522.541  64.211  518.731  91.145  526.295  90.474  100.520 9.2916 101.315 9.1458 -0.7953033     13.03764  
1 1 1 -9  10  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  10  14 o 77.632  1.8296 297.967  14.019  295.141  19.546  300.961  20.120  77.197  2.5652 77.949  2.6150 -0.7520523     3.663147  
1 1 1 -9  10  15 o 136.058 2.0797 916.206  27.929  887.375  38.952  946.711  40.067  133.707 2.9515 138.108 2.9392 -4.401245      4.165396  
1 1 1 -9  10  16 o 70.914  1.4582 248.602  10.207  252.081  14.034  244.693  14.872  71.356  1.9925 70.285  2.1437 1.070953       2.926744  
1 1 1 -9  10  17 o 21.877  1.5233 23.784   3.2690  24.301   3.3877  16.796   12.457  22.111  1.5623 18.405  5.9849 3.705996       6.185460  
1 1 1 -9  10  18 o 14.303  2.1099 10.356   2.8891  9.7578   2.9718  20.653   12.334  13.852  2.2509 19.933  5.8721 -6.080981      6.288708  
1 1 1 -9  11  1  o 160.997 2.3131 1280.97  36.757  1265.45  51.928  1296.55  52.038  159.906 3.2901 161.864 3.2571 -1.957306      4.629629  
1 1 1 -9  11  2  o 106.925 1.7099 564.669  18.046  556.372  25.632  572.824  25.412  106.094 2.4477 107.655 2.3915 -1.561035      3.422039  
1 1 1 -9  11  3  o 116.266 1.7362 667.659  19.924  703.497  27.708  629.288  28.671  119.306 2.3530 112.822 2.5746 6.484184       3.487854  
1 1 1 -9  11  4  o 104.058 1.5875 534.752  16.305  526.690  23.754  541.934  22.421  103.230 2.3313 104.724 2.1691 -1.493561      3.184319  
1 1 1 -9  11  5  o 221.507 3.3424 2428.95  73.076  2459.23  103.338 2398.65  103.353 222.547 4.7044 219.771 4.7645 2.775574       6.695678  
1 1 1 -9  11  6  o 88.658  1.5186 388.167  13.289  405.900  19.189  371.825  18.421  90.630  2.1451 86.743  2.1516 3.887894       3.038234  
1 1 1 -9  11  7  f 86.832  1.5475 372.367  13.263  367.514  19.018  376.961  18.506  86.232  2.2344 87.338  2.1467 -1.106117      3.098482  
1 1 1 -9  11  8  o 47.129  1.8054 109.726  8.3984  119.225  12.300  101.429  11.495  49.036  2.5500 45.215  2.5865 3.821430       3.632175  
1 1 1 -9  11  9  o 36.039  1.0575 64.121   3.7617  56.238   5.3531  71.811   5.2871  33.743  1.6073 38.133  1.4047 -4.390324      2.134574  
1 1 1 -9  11  10 o 123.973 6.5959 771.861  80.421  781.378  114.266 762.519  113.208 123.634 9.4349 122.111 9.4666 1.522980       13.36542  
1 1 1 -9  11  11 o 134.551 6.5123 907.590  86.488  948.536  122.905 867.424  121.728 136.225 9.1945 130.069 9.5484 6.155380       13.25558  
1 1 1 -9  11  12 o 13.027  5.2302 4.0011   10.265  10.466   15.362  -1.2142  13.797  17.171  6.5399 13.357  5.7581 3.813672       8.713575  
1 1 1 -9  11  13 o 88.186  1.7027 384.351  14.821  399.779  20.790  368.409  21.134  89.880  2.3435 86.268  2.4820 3.612640       3.413569  
1 1 1 -9  11  14 o 57.955  2.2029 166.245  12.601  176.472  17.854  156.094  17.788  59.555  3.0475 55.971  3.2335 3.583096       4.443279  
1 1 1 -9  11  15 o 48.117  2.2025 114.673  10.460  118.503  14.641  110.678  14.951  48.739  3.0588 47.065  3.2380 1.674122       4.454346  
1 1 1 -9  11  16 o 81.763  1.7037 330.762  13.749  340.054  20.474  323.130  18.556  82.781  2.5058 80.725  2.3288 2.056145       3.420887  
1 1 1 -9  11  17 o 63.300  1.4622 198.156  9.1360  206.150  12.755  189.736  13.092  64.506  2.0033 61.868  2.1439 2.638607       2.934199  
1 1 1 -9  11  18 o 34.876  1.1739 60.118   4.0411  56.095   5.7652  64.004   5.6661  33.615  1.7436 35.963  1.5962 -2.348804      2.363906  
1 1 1 -9  12  1  o 123.196 1.8151 749.720  22.071  765.744  31.530  734.324  30.905  124.447 2.5669 121.867 2.5693 2.580154       3.631811  
1 1 1 -9  12  2  o 151.251 2.4100 1130.88  35.978  1123.69  50.859  1138.09  50.903  150.642 3.4205 151.607 3.4017 -0.9653015     4.823991  
1 1 1 -9  12  3  o 56.116  1.2382 155.480  6.8583  161.395  9.5346  149.137  9.8724  57.163  1.6899 54.946  1.8204 2.217289       2.483825  
1 1 1 -9  12  4  o 63.495  1.3274 199.072  8.3191  200.930  12.022  197.365  11.524  63.773  1.9099 63.207  1.8471 0.5661240      2.656986  
1 1 1 -9  12  5  o 62.568  1.4752 193.327  9.1106  203.346  13.582  185.131  12.284  64.145  2.1452 61.209  2.0333 2.936142       2.955676  
1 1 1 -9  12  6  o 68.555  1.3109 232.064  8.8700  241.550  12.547  222.586  12.541  69.925  1.8179 67.121  1.8930 2.803970       2.624563  
1 1 1 -9  12  7  o 91.510  1.8199 413.714  16.438  418.134  28.055  411.403  20.284  91.905  3.0927 91.228  2.2527 0.6770935      3.826150  
1 1 1 -9  12  8  o 53.994  6.8276 148.329  35.574  130.860  50.381  165.700  50.238  49.691  10.596 56.440  9.3450 -6.748463      14.12776  
1 1 1 -9  12  9  o 24.564  7.8657 29.839   21.574  23.595   30.953  35.737   30.086  24.755  9.3171 27.408  9.3115 -2.652908      13.17237  
1 1 1 -9  12  10 o 133.077 2.9047 876.820  38.154  899.796  52.063  850.164  56.077  134.632 3.9179 130.779 4.3442 3.853287       5.849964  
1 1 1 -9  12  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  12  12 o 40.319  1.3325 80.298   5.3030  79.143   7.5778  81.405   7.4236  40.010  1.9188 40.580  1.8534 -0.5701103     2.667773  
1 1 1 -9  12  13 o 54.431  1.4416 146.391  7.7452  145.702  11.279  147.005  10.654  54.266  2.1057 54.516  1.9800 -0.2502556     2.890425  
1 1 1 -9  12  14 o 55.096  1.2687 149.976  6.8995  139.838  11.877  155.140  8.4766  53.137  2.2645 56.022  1.5330 -2.885368      2.734548  
1 1 1 -9  12  15 o 73.691  1.5779 268.558  11.477  267.847  14.254  269.867  19.352  73.552  1.9634 73.729  2.6591 -0.1778793     3.305452  
1 1 1 -9  12  16 o 12.713  4.8638 5.6933   8.5213  3.4537   11.798  8.1359   12.321  13.493  5.5364 15.177  5.8386 -1.684787      8.046244  
1 1 1 -9  12  17 o 15.910  5.5178 11.753   10.580  18.521   15.318  5.5775   14.632  19.528  6.6441 15.294  6.2076 4.233790       9.092710  
1 1 1 -9  12  18 o 62.892  2.4112 196.540  14.968  185.342  18.944  215.143  24.418  60.846  3.1653 65.369  3.8008 -4.522499      4.946278  
1 1 1 -9  13  1  o 135.367 2.7179 906.419  36.314  904.151  38.022  929.973  122.538 135.182 2.8496 135.191 9.2385 -0.9078979E-02 9.667955  
1 1 1 -9  13  2  o 166.151 2.2434 1364.58  36.791  1382.21  52.307  1347.31  51.759  167.089 3.1716 164.965 3.1788 2.124054       4.490427  
1 1 1 -9  13  3  o 136.893 2.2507 926.332  30.411  917.248  43.001  935.422  43.016  136.107 3.2008 137.453 3.1706 -1.345947      4.505324  
1 1 1 -9  13  4  o 115.946 1.9988 664.318  22.875  689.995  28.545  618.230  38.243  118.127 2.4482 111.705 3.4685 6.421288       4.245479  
1 1 1 -9  13  5  o 60.233  6.7947 184.000  39.690  200.790  57.583  168.802  54.783  62.145  9.7048 56.739  10.155 5.406116       14.04647  
1 1 1 -9  13  6  o 47.632  7.1007 116.268  32.364  101.276  45.491  131.633  46.052  43.618  10.657 50.064  9.6696 -6.446259      14.39015  
1 1 1 -9  13  7  o 36.891  8.1589 71.342   28.920  91.214   41.271  52.170   40.538  41.433  10.168 32.506  10.808 8.927101       14.83867  
1 1 1 -9  13  8  o 90.024  2.3735 400.818  21.090  433.673  31.293  373.474  28.548  93.538  3.3894 86.810  3.3317 6.728287       4.752739  
1 1 1 -9  13  9  o 116.750 1.9345 673.706  22.292  702.173  32.050  647.028  31.026  119.103 2.7263 114.327 2.7494 4.775345       3.871974  
1 1 1 -9  13  10 o 66.152  1.4931 216.179  9.7489  207.349  13.732  225.154  13.843  64.753  2.1485 67.480  2.0784 -2.727356      2.989234  
1 1 1 -9  13  11 o 55.901  1.3819 154.365  7.6248  165.530  10.803  143.284  10.763  57.864  1.8915 53.828  2.0258 4.035393       2.771611  
1 1 1 -9  13  12 o 56.971  1.9094 160.515  10.737  160.812  10.971  153.756  52.272  57.021  1.9493 53.467  10.278 3.554470       10.46139  
1 1 1 -9  13  13 o 28.538  1.1095 40.226   3.1252  42.387   4.5292  38.261   4.3179  29.240  1.5751 27.776  1.5815 1.464325       2.232104  
1 1 1 -9  13  14 o 75.908  1.8925 285.186  14.179  299.406  20.619  272.429  19.530  77.663  2.6898 74.085  2.6707 3.578308       3.790495  
1 1 1 -9  13  15 o 49.504  1.6331 121.252  7.9795  119.675  15.571  121.813  9.2924  48.895  3.2448 49.597  1.8982 -0.7016144     3.759276  
1 1 1 -9  13  16 o 61.779  1.2754 188.684  7.7769  181.203  10.961  196.266  11.036  60.486  1.8360 62.957  1.7759 -2.471107      2.554351  
1 1 1 -9  13  17 o 29.601  8.0799 48.042   24.268  50.039   33.922  45.948   34.732  30.259  9.8782 29.348  10.005 0.9113579      14.05950  
1 1 1 -9  13  18 o 74.441  7.9359 298.405  57.411  287.155  69.996  321.528  100.355 71.110  10.270 70.536  14.882 0.5738068      18.08196  
1 1 1 -9  14  1  o 109.761 1.8236 595.265  19.757  594.484  27.329  596.120  28.595  109.629 2.5256 109.769 2.6392 -0.1394043     3.652988  
1 1 1 -9  14  2  o 60.655  1.8083 181.781  10.826  183.479  11.031  137.468  56.353  60.937  1.8341 50.654  11.530 10.28320       11.67516  
1 1 1 -9  14  3  o 59.110  7.1819 178.077  41.042  172.484  56.398  184.373  59.837  57.226  10.366 59.119  10.646 -1.893097      14.85923  
1 1 1 -9  14  4  o 107.572 6.5139 582.053  68.837  589.817  97.762  574.418  96.943  107.245 9.3284 105.804 9.3801 1.440697       13.22899  
1 1 1 -9  14  5  o 33.325  8.3030 58.400   27.211  52.239   39.599  63.911   37.455  32.388  10.678 34.927  10.217 -2.538708      14.77794  
1 1 1 -9  14  6  o 59.818  1.8201 176.819  10.746  184.548  15.856  170.253  14.614  61.068  2.6306 58.661  2.5239 2.406525       3.645616  
1 1 1 -9  14  7  o 60.096  1.4409 178.389  8.5470  193.516  12.307  164.294  11.879  62.568  1.9927 57.646  2.0878 4.921856       2.886154  
1 1 1 -9  14  8  o 86.876  2.0788 373.181  17.826  386.751  22.267  348.971  29.744  88.399  2.5521 83.854  3.5937 4.545097       4.407660  
1 1 1 -9  14  9  o 96.148  1.7936 456.919  17.022  471.656  24.606  443.393  23.572  97.610  2.5539 94.644  2.5233 2.966263       3.590254  
1 1 1 -9  14  10 o 152.872 2.1925 1156.23  33.082  1215.28  47.273  1099.56  46.313  156.543 3.0595 148.882 3.1516 7.661469       4.392334  
1 1 1 -9  14  11 o 91.006  1.8416 409.556  16.543  452.725  28.131  386.736  20.453  95.528  2.9835 88.380  2.3446 7.147903       3.794527  
1 1 1 -9  14  12 o 30.316  1.3097 45.409   3.9189  45.558   5.6320  45.269   5.4565  30.287  1.8935 30.196  1.8395 0.9130096E-01  2.639895  
1 1 1 -9  14  13 o 77.227  1.7719 295.076  13.506  312.293  21.981  284.633  17.119  79.298  2.8083 75.785  2.2886 3.513199       3.622754  
1 1 1 -9  14  14 o 28.924  1.1511 41.341   3.2863  36.718   4.6365  46.007   4.6585  27.183  1.7372 30.458  1.5547 -3.275311      2.331301  
1 1 1 -9  14  15 o 73.186  1.9234 265.393  13.894  252.207  15.958  306.707  28.247  71.290  2.2679 78.271  3.6562 -6.981827      4.302484  
1 1 1 -9  14  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  14  17 o 18.956  6.1538 18.220   13.172  25.503   20.643  13.218   17.107  22.506  7.7127 18.185  6.9072 4.321276       10.35346  
1 1 1 -9  15  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  15  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  15  3  o 26.631  8.1045 36.237   23.209  36.237   23.209  0.0000   0.0000  26.631  8.1045 ?       ?      0.000000       8.104529  
1 1 1 -9  15  4  o 137.535 2.2068 935.494  29.958  925.303  43.351  944.809  41.447  136.623 3.2147 138.087 3.0409 -1.464798      4.425148  
1 1 1 -9  15  5  o 81.648  1.7563 329.452  14.154  347.973  20.719  313.242  19.383  83.853  2.5033 79.561  2.4682 4.291565       3.515453  
1 1 1 -9  15  6  o 31.945  1.1575 50.396   3.6499  47.090   5.2137  53.572   5.1112  30.821  1.7207 32.928  1.5726 -2.107859      2.331087  
1 1 1 -9  15  7  o 18.682  0.7992 17.230   1.4737  16.037   2.1123  18.362   2.0571  17.980  1.1971 19.253  1.0869 -1.272701      1.616894  
1 1 1 -9  15  8  o 101.951 1.7698 513.802  17.810  533.858  25.117  493.522  25.257  103.844 2.4505 99.829  2.5633 4.014725       3.546178  
1 1 1 -9  15  9  o 55.087  1.1493 149.877  6.2494  160.014  8.8431  139.764  8.8329  56.901  1.5745 53.174  1.6830 3.727596       2.304666  
1 1 1 -9  15  10 f 129.359 2.0524 828.058  26.205  851.833  37.458  805.266  36.675  131.029 2.8963 127.393 2.9167 3.636528       4.110403  
1 1 1 -9  15  11 o 50.810  2.3968 127.939  12.020  140.528  18.095  117.996  16.081  53.020  3.4770 48.583  3.3744 4.436474       4.845276  
1 1 1 -9  15  12 o 24.203  1.2661 29.027   3.0140  25.686   4.3780  32.036   4.1555  22.692  1.9743 25.395  1.6671 -2.702747      2.584053  
1 1 1 -9  15  13 o 32.368  4.3096 53.504   13.426  80.990   38.042  49.593   14.350  38.013  10.003 31.004  4.8478 7.008751       11.11608  
1 1 1 -9  15  14 o 39.800  7.9289 86.011   30.054  82.078   42.459  89.960   42.547  37.775  10.828 39.562  10.657 -1.786522      15.19296  
1 1 1 -9  15  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  15  16 o 34.143  3.1161 58.722   10.386  66.129   14.654  51.246   14.722  35.967  4.2073 31.396  4.9116 4.570463       6.467237  
1 1 1 -9  15  17 o 39.431  0.9609 76.836   3.7399  81.364   5.3137  72.391   5.2648  40.552  1.3276 38.245  1.3947 2.306618       1.925483  
1 1 1 -9  16  1  o 68.372  1.7401 231.076  11.743  234.399  17.036  228.068  16.210  68.803  2.5086 67.875  2.4195 0.9277420      3.485286  
1 1 1 -9  16  2  o 23.284  1.8190 26.965   4.1473  58.861   16.307  24.759   4.2883  33.962  5.0153 22.289  1.9694 11.67300       5.388174  
1 1 1 -9  16  3  o 116.670 1.8747 673.009  21.588  699.694  30.600  646.566  30.461  118.859 2.6083 114.242 2.7014 4.616310       3.755074  
1 1 1 -9  16  4  o 48.574  2.0704 116.706  9.9263  109.793  14.446  122.889  13.662  46.941  3.1360 49.720  2.7953 -2.778648      4.200970  
1 1 1 -9  16  5  o 83.554  1.7539 345.117  14.464  356.202  21.429  335.840  19.604  84.804  2.5600 82.361  2.4115 2.443008       3.516962  
1 1 1 -9  16  6  o 23.787  0.9100 27.938   2.1366  34.220   2.6438  16.108   3.6277  26.325  1.0175 17.924  2.0898 8.401093       2.324347  
1 1 1 -9  16  7  o 48.606  1.1598 116.693  5.5644  121.038  7.0746  109.644  9.0103  49.492  1.4482 47.081  1.9389 2.410614       2.420073  
1 1 1 -9  16  8  o 30.033  1.1688 44.554   3.4646  47.187   4.9581  42.041   4.8434  30.852  1.6340 29.110  1.6930 1.741211       2.352889  
1 1 1 -9  16  9  o 73.330  1.4059 265.756  10.176  270.188  14.385  261.318  14.397  73.888  1.9725 72.662  2.0074 1.226608       2.814296  
1 1 1 -9  16  10 o 53.512  1.0843 141.455  5.7269  146.550  8.1139  136.397  8.0845  54.444  1.5099 52.521  1.5595 1.923000       2.170684  
1 1 1 -9  16  11 o 19.874  5.2336 20.689   10.408  25.079   15.585  17.156   13.984  21.976  6.6311 18.836  6.3484 3.139906       9.180040  
1 1 1 -9  16  12 o 41.662  7.9094 93.628   31.335  104.483  44.965  83.378   43.691  42.798  10.679 38.178  10.996 4.620319       15.32843  
1 1 1 -9  16  13 o 42.887  7.8405 99.619   31.966  96.929   45.831  102.167  44.607  40.759  11.095 42.025  10.720 -1.266144      15.42742  
1 1 1 -9  16  14 o 42.928  5.3855 95.581   22.317  0.0000   0.0000  95.581   22.317  ?       ?      42.928  5.3855 0.000000       5.385519  
1 1 1 -9  16  15 o 11.034  4.7063 0.2492   9.0384  4.5839   13.139  -3.6447  12.453  14.327  5.8565 11.930  5.2961 2.396724       7.896056  
1 1 1 -9  16  16 o 57.516  1.1749 163.591  6.6701  156.166  9.4354  171.008  9.4304  56.133  1.7030 58.750  1.6262 -2.617775      2.354754  
1 1 1 -9  17  1  o 71.274  1.8823 251.330  13.242  245.828  19.206  256.316  18.282  70.388  2.7645 71.899  2.5762 -1.511185      3.778765  
1 1 1 -9  17  2  o 132.536 2.0816 869.498  27.231  870.828  40.291  868.380  36.948  132.402 3.0830 132.283 2.8298 0.1182709      4.184829  
1 1 1 -9  17  3  o 65.632  1.2011 212.797  7.7809  229.295  11.014  196.358  10.994  68.100  1.6386 63.010  1.7677 5.090046       2.410331  
1 1 1 -9  17  4  o 19.011  0.9280 17.847   1.7413  22.643   2.4961  13.302   2.4303  21.376  1.1877 16.333  1.5251 5.042950       1.933073  
1 1 1 -9  17  5  o 56.175  1.3640 155.942  7.5629  157.105  10.878  154.854  10.522  56.345  1.9560 55.943  1.9055 0.4012985      2.730726  
1 1 1 -9  17  6  o 79.816  1.8425 315.194  14.516  313.623  17.259  318.992  26.833  79.575  2.1974 80.054  3.3959 -0.4797821     4.044833  
1 1 1 -9  17  7  o 41.270  1.3162 84.172   5.3618  77.275   7.5934  91.031   7.5720  39.511  1.9471 42.894  1.7885 -3.382710      2.643792  
1 1 1 -9  17  8  o 47.346  1.2807 110.782  5.9849  119.028  8.4709  102.562  8.4571  49.047  1.7498 45.519  1.8823 3.527916       2.569988  
1 1 1 -9  17  9  o 43.532  1.1046 93.630   4.7461  88.525   7.8543  96.566   5.9567  42.284  1.8819 44.197  1.3655 -1.912628      2.325085  
1 1 1 -9  17  10 o 59.836  7.0330 187.667  40.745  165.016  56.910  211.488  58.360  53.843  11.078 61.925  9.8802 -8.082359      14.84396  
1 1 1 -9  17  11 o 55.730  7.1468 164.233  38.407  179.142  53.824  148.766  54.822  56.557  10.008 50.642  11.259 5.914322       15.06406  
1 1 1 -9  17  12 o 62.164  2.9972 192.843  18.390  195.155  28.958  191.279  23.807  61.841  4.7813 61.546  3.9396 0.2952614      6.195282  
1 1 1 -9  17  13 o 7.2736  1.6859 2.7261   1.1867  -0.0000  2.3927  3.6154   1.3667  5.7021  2.4265 8.3917  1.7081 -2.689652      2.967401  
1 1 1 -9  17  14 f 76.512  2.0174 290.587  15.235  294.921  21.665  286.347  21.428  76.857  2.8559 75.728  2.8668 1.128754       4.046594  
1 1 1 -9  17  15 o 35.016  1.8472 60.996   6.3617  60.275   6.4420  89.417   40.424  34.802  1.8823 38.750  10.366 -3.947563      10.53586  
1 1 1 -9  17  16 o 17.632  1.1195 15.438   1.9382  16.688   2.9807  14.521   2.5512  18.270  1.6714 17.051  1.5322 1.218670       2.267448  
1 1 1 -9  18  1  o 28.446  1.1420 39.983   3.2064  34.636   4.5208  45.395   4.5485  26.396  1.7450 30.257  1.5280 -3.860325      2.319432  
1 1 1 -9  18  2  o 87.690  2.0063 380.918  17.365  387.594  22.208  370.414  27.858  88.354  2.5465 86.205  3.2741 2.149422       4.147807  
1 1 1 -9  18  3  o 82.431  1.6129 336.142  13.123  330.222  18.501  342.136  18.617  81.601  2.2971 83.065  2.2707 -1.463562      3.229949  
1 1 1 -9  18  4  o 35.939  2.7681 64.569   9.7437  65.937   14.199  63.351   13.395  36.060  4.0600 35.374  3.9015 0.6864471      5.630703  
1 1 1 -9  18  5  f 63.827  2.5583 202.304  16.117  279.415  61.694  196.656  16.697  72.202  8.8416 62.910  2.6890 9.292019       9.241463  
1 1 1 -9  18  6  o 87.009  1.6592 374.635  14.249  383.519  20.051  365.570  20.254  87.924  2.3104 85.826  2.3909 2.097969       3.324844  
1 1 1 -9  18  7  o 58.264  1.4693 167.905  8.4496  160.934  11.875  175.055  12.026  56.974  2.1116 59.429  2.0501 -2.454926      2.943140  
1 1 1 -9  18  8  o 51.995  7.4579 143.868  37.179  155.486  52.724  132.377  52.435  52.316  10.574 47.741  11.302 4.574577       15.47756  
1 1 1 -9  18  9  o 77.992  6.8207 318.684  51.979  332.414  73.534  304.972  73.484  77.343  9.8564 73.595  10.406 3.748482       14.33305  
1 1 1 -9  18  10 o 66.811  1.8578 221.259  12.252  229.055  17.367  213.536  17.286  67.837  2.5937 65.481  2.6745 2.355843       3.725644  
1 1 1 -9  18  11 o 34.495  1.2405 58.849   4.2238  61.466   6.0680  56.388   5.8831  35.218  1.7456 33.683  1.7758 1.534771       2.490116  
1 1 1 -9  18  12 o 19.823  5.7176 20.824   11.805  32.733   17.457  10.791   16.023  24.534  6.9130 17.103  6.6361 7.430746       9.582661  
1 1 1 -9  18  13 o 35.691  1.1622 62.998   4.0944  66.709   5.8476  59.428   5.7347  36.692  1.6146 34.627  1.6779 2.065918       2.328584  
1 1 1 -9  18  14 o 69.071  1.5900 236.426  10.840  243.824  15.797  229.843  14.901  69.989  2.2868 67.969  2.2211 2.019867       3.187910  
1 1 1 -9  18  15 o 43.928  1.3143 95.528   5.6986  106.463  8.0296  84.432   8.0886  46.317  1.7564 41.215  1.9883 5.101990       2.652994  
1 1 1 -9  19  1  o 28.622  3.7343 41.780   10.298  39.145   15.177  44.029   14.020  27.121  5.8420 29.026  5.0785 -1.905464      7.740843  
1 1 1 -9  19  2  o 41.915  1.2839 86.879   5.3118  91.123   7.5400  82.697   7.4843  42.887  1.7812 40.849  1.8562 2.037800       2.572616  
1 1 1 -9  19  3  o 41.376  1.2348 84.648   5.0429  77.750   7.2007  91.287   7.0647  39.610  1.8418 42.936  1.6670 -3.325829      2.484178  
1 1 1 -9  19  4  o 26.264  0.9316 34.078   2.4151  33.311   4.0996  34.486   2.9888  25.889  1.6123 26.413  1.1464 -0.5241375     1.978364  
1 1 1 -9  19  5  o 87.256  1.7282 377.150  14.884  398.372  21.575  357.877  20.560  89.512  2.4420 84.837  2.4553 4.674858       3.462923  
1 1 1 -9  19  6  o 17.778  7.3444 6.8725   20.941  6.6367   30.373  7.0862   28.913  20.507  8.6824 20.190  8.5054 0.3171253      12.15430  
1 1 1 -9  19  7  o 29.558  11.899 37.857   53.287  37.857   53.287  0.0000   0.0000  29.558  11.899 ?       ?      0.000000       11.89908  
1 1 1 -9  19  8  o 54.677  1.5744 148.049  8.4970  145.999  12.047  150.078  11.987  54.200  2.2518 54.960  2.2096 -0.7591972     3.154871  
1 1 1 -9  19  9  o 81.628  1.7338 330.277  13.969  318.595  17.104  353.679  24.208  80.075  2.1641 84.137  2.9149 -4.062767      3.630427  
1 1 1 -9  19  10 o 43.566  0.9719 93.806   4.1795  90.404   5.9354  97.151   5.8864  42.735  1.4071 44.307  1.3460 -1.571712      1.947216  
1 1 1 -9  19  11 o 34.717  1.1391 59.606   3.9035  59.038   5.5308  60.169   5.5102  34.515  1.6235 34.846  1.6021 -0.3310738     2.280843  
1 1 1 -9  19  12 o 30.274  3.8915 47.069   11.359  39.105   17.604  52.750   14.868  26.672  6.6966 31.738  4.9044 -5.065517      8.300465  
1 1 1 -9  19  13 o 44.330  3.4592 99.615   15.016  93.969   19.515  107.808  23.510  42.566  4.7246 45.326  5.3586 -2.759754      7.143975  
1 1 1 -9  19  14 o 21.352  5.6392 24.745   12.061  28.580   15.019  17.780   20.241  22.803  6.4075 19.866  7.5211 2.936323       9.880385  
1 1 1 -9  20  1  o 85.870  1.8972 365.795  16.080  373.987  23.841  358.960  21.779  86.565  2.7903 84.871  2.5998 1.694565       3.813775  
1 1 1 -9  20  2  o 41.547  0.9440 85.300   3.8713  88.242   5.4996  82.411   5.4505  42.232  1.3194 40.810  1.3531 1.421738       1.889875  
1 1 1 -9  20  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -9  20  4  o 32.385  12.231 58.387   53.444  58.387   53.444  0.0000   0.0000  32.385  12.231 ?       ?      0.000000       12.23058  
1 1 1 -9  20  5  o 17.952  7.7918 0.5679   25.613  0.5679   25.613  0.0000   0.0000  17.952  7.7918 ?       ?      0.000000       7.791757  
1 1 1 -9  20  6  o 41.994  1.2694 87.248   5.2616  95.764   7.4620  78.827   7.4203  43.950  1.7201 39.856  1.8862 4.093918       2.552782  
1 1 1 -9  20  7  o 26.321  1.6202 34.462   4.1887  28.569   36.278  34.541   4.2169  25.333  9.9414 26.350  1.6293 -1.017424      10.07404  
1 1 1 -9  20  8  o 91.092  1.8904 411.894  16.997  393.807  21.018  446.074  28.894  88.914  2.3949 94.335  3.1031 -5.420578      3.919839  
1 1 1 -9  20  9  o 44.630  1.0505 98.483   4.6278  100.835  6.5518  96.143   6.5375  45.119  1.4712 44.054  1.5035 1.065750       2.103527  
1 1 1 -9  20  10 o 10.994  1.3684 6.0769   1.4528  7.2091   1.9624  4.7037   2.1611  11.935  1.7151 9.5296  2.3195 2.405662       2.884682  
1 1 1 -9  20  11 o 44.052  1.3060 96.077   5.6787  98.474   8.0936  93.752   7.9695  44.529  1.8415 43.446  1.8585 1.083321       2.616265  
1 1 1 -9  20  12 f 57.635  1.1265 164.352  6.4085  166.869  9.0699  161.843  9.0561  58.003  1.5842 57.119  1.6063 0.8840828      2.256088  
1 1 1 -9  21  1  o 38.227  9.7072 87.133   36.695  103.077  65.703  79.905   44.236  38.768  13.728 35.745  11.243 3.023602       17.74414  
1 1 1 -9  21  2  o 55.161  10.619 183.023  55.716  0.0000   0.0000  183.023  55.716  ?       ?      55.161  10.619 0.000000       10.61863  
1 1 1 -9  21  3  o 20.293  0.9768 20.357   1.9565  25.188   2.7484  15.393   2.7858  22.527  1.2409 17.546  1.6271 4.980913       2.046239  
1 1 1 -9  21  4  o 73.934  1.7737 271.264  12.943  279.012  16.781  259.886  20.336  74.850  2.2714 72.049  2.8596 2.800964       3.651963  
1 1 1 -9  21  5  o 68.725  1.6776 234.268  11.380  251.681  15.870  215.838  16.327  71.088  2.2618 65.761  2.5154 5.326836       3.382775  
1 1 1 -9  21  6  o 44.922  2.8076 101.401  12.386  111.697  18.076  92.286   17.007  46.759  3.9536 42.412  4.1143 4.346718       5.706063  
1 1 1 -9  21  7  o 18.525  1.0738 17.029   1.9549  21.293   2.7172  12.454   2.8147  20.694  1.3374 15.729  1.8482 4.964979       2.281370  
1 1 1 -9  21  8  o 28.984  10.627 48.414   39.784  48.414   39.784  0.0000   0.0000  28.984  10.627 ?       ?      0.000000       10.62677  
1 1 1 -9  21  9  o 29.264  1.1576 42.379   3.3438  40.673   4.7026  44.124   4.7555  28.578  1.6744 29.778  1.6241 -1.199190      2.332694  
1 1 1 -9  21  10 o 11.615  1.5994 6.8187   1.7851  6.9177   1.7952  -1.8968  16.848  11.701  1.5960 14.144  6.2250 -2.442707      6.426320  
1 1 1 -8  -21 1  o 36.217  10.208 73.228   38.059  73.228   38.059  0.0000   0.0000  36.217  10.208 ?       ?      0.000000       10.20788  
1 1 1 -8  -20 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -20 2  o 37.734  1.4342 70.391   5.3416  68.413   6.0067  77.866   11.679  37.191  1.6363 39.459  3.0216 -2.268002      3.436233  
1 1 1 -8  -20 3  o 74.547  1.3288 274.694  9.7775  298.760  13.033  243.715  14.787  77.704  1.6993 70.129  2.1362 7.575195       2.729687  
1 1 1 -8  -19 1  o 78.339  2.6444 304.278  20.447  308.962  21.528  261.086  65.369  78.923  2.7635 70.041  9.7173 8.882446       10.10258  
1 1 1 -8  -19 2  o 64.344  1.2191 204.543  7.7427  210.296  10.223  196.804  11.857  65.218  1.5881 63.066  1.9049 2.152008       2.480054  
1 1 1 -8  -19 3  o 86.243  1.3416 367.574  11.420  366.737  15.435  368.586  16.976  86.096  1.8163 86.291  1.9932 -0.1949310     2.696593  
1 1 1 -8  -19 4  o 30.827  1.2275 46.956   3.7350  47.227   4.4666  46.325   6.8107  30.908  1.4641 30.489  2.2797 0.4186764      2.709339  
1 1 1 -8  -18 1  o 65.451  1.2998 211.590  8.3973  238.409  12.145  187.026  11.623  69.450  1.7717 61.504  1.9147 7.945694       2.608623  
1 1 1 -8  -18 2  o 34.542  1.4399 58.955   4.9092  60.713   6.4639  56.560   7.5465  34.988  1.8786 33.726  2.2804 1.262486       2.954534  
1 1 1 -8  -18 3  o 66.921  1.1326 221.206  7.4809  240.783  10.103  197.444  11.131  69.800  1.4665 63.185  1.7847 6.614681       2.309920  
1 1 1 -8  -18 4  o 64.262  1.3500 204.065  8.5632  200.867  13.723  206.104  10.958  63.691  2.1830 64.557  1.7198 -0.8657913     2.779022  
1 1 1 -8  -18 5  o 77.487  1.1003 296.587  8.4157  280.312  11.228  317.450  12.713  75.301  1.5107 80.125  1.6075 -4.823982      2.205943  
1 1 1 -8  -17 1  o 158.406 2.0808 1240.38  32.533  1236.25  45.831  1244.58  46.189  158.014 2.9385 158.544 2.9516 -0.5294647     4.164941  
1 1 1 -8  -17 2  o 40.215  1.3280 79.875   5.2712  84.548   7.1874  74.436   7.7540  41.362  1.7605 38.748  2.0345 2.614010       2.690477  
1 1 1 -8  -17 3  o 32.722  1.3262 52.890   4.2833  49.129   5.5803  58.284   6.6828  31.473  1.8038 34.273  1.9839 -2.800175      2.681396  
1 1 1 -8  -17 4  o 108.452 1.4425 581.200  15.442  580.058  21.394  582.441  22.309  108.282 2.0018 108.493 2.0833 -0.2112961     2.889149  
1 1 1 -8  -17 5  o 57.453  0.9062 162.992  5.1390  170.933  6.6765  151.447  8.0500  58.827  1.1499 55.357  1.4733 3.469833       1.868907  
1 1 1 -8  -17 6  o 160.834 9.9245 1368.40  156.781 0.0000   0.0000  1368.40  156.781 ?       ?      160.834 9.9245 0.000000       9.924505  
1 1 1 -8  -16 1  o 62.945  1.0994 195.605  6.8304  194.471  9.7132  196.714  9.6070  62.750  1.5682 63.112  1.5422 -0.3616638     2.199490  
1 1 1 -8  -16 2  o 118.301 1.8239 691.455  21.298  676.534  26.058  721.478  36.963  116.983 2.2567 120.714 3.1023 -3.731575      3.836263  
1 1 1 -8  -16 3  o 106.797 1.4630 563.369  15.422  565.881  21.579  560.747  22.047  106.992 2.0434 106.501 2.0973 0.4911499      2.928167  
1 1 1 -8  -16 4  o 57.715  1.2303 164.509  7.0085  195.600  11.969  148.287  8.6456  62.900  1.9279 54.782  1.5989 8.118042       2.504637  
1 1 1 -8  -16 5  o 77.564  1.0653 297.098  8.1556  295.561  11.017  298.961  12.131  77.342  1.4432 77.777  1.5802 -0.4345398     2.140021  
1 1 1 -8  -16 6  o 113.260 6.4458 651.299  71.761  645.664  101.559 656.917  101.411 111.083 9.3497 112.122 9.2460 -1.038956      13.14935  
1 1 1 -8  -16 7  o 101.452 6.4093 523.596  63.851  500.100  90.125  547.275  90.474  97.434  9.4919 102.240 9.0592 -4.806229      13.12114  
1 1 1 -8  -15 1  o 176.101 2.2421 1532.42  38.972  1496.55  54.966  1568.68  55.264  173.913 3.2021 178.062 3.1444 -4.149612      4.487811  
1 1 1 -8  -15 2  f 47.303  1.0427 110.462  4.8684  118.353  6.9521  102.869  6.8197  48.957  1.4387 45.641  1.5138 3.316025       2.088428  
1 1 1 -8  -15 3  o 162.451 2.0734 1304.13  33.245  1280.98  46.831  1327.64  47.203  160.894 2.9489 163.802 2.9195 -2.908356      4.149672  
1 1 1 -8  -15 4  o 170.536 2.4128 1438.33  40.613  1339.66  67.468  1494.40  50.859  164.239 4.1619 173.734 2.9659 -9.494705      5.110551  
1 1 1 -8  -15 5  o 27.279  1.5112 36.874   4.0531  36.538   4.1034  50.364   25.971  27.152  1.5374 30.945  8.3221 -3.792681      8.462946  
1 1 1 -8  -15 6  o 43.889  7.6110 100.533  31.776  104.946  38.980  91.792   54.861  44.386  9.1996 41.096  12.450 3.290131       15.48029  
1 1 1 -8  -15 7  o 25.689  6.9882 34.610   18.190  37.674   25.840  31.600   25.610  27.146  8.5995 25.451  8.5912 1.695234       12.15561  
1 1 1 -8  -15 8  o 102.389 6.3811 532.539  64.168  505.081  90.703  560.049  90.790  98.040  9.4921 103.606 8.9664 -5.566628      13.05744  
1 1 1 -8  -14 1  o 168.469 6.6955 1414.85  111.337 1481.57  157.717 1348.57  157.193 171.340 9.3612 163.273 9.7994 8.067154       13.55214  
1 1 1 -8  -14 2  o 132.429 1.7223 866.111  22.512  862.980  31.721  869.288  31.953  132.143 2.4321 132.625 2.4409 -0.4813843     3.445745  
1 1 1 -8  -14 3  o 226.557 3.0141 2539.00  67.402  2521.92  95.165  2556.19  95.478  225.530 4.2750 227.061 4.2602 -1.530762      6.035302  
1 1 1 -8  -14 4  o 157.133 2.2509 1220.31  34.910  1197.77  43.153  1262.99  59.391  155.612 2.8095 159.648 3.7690 -4.035812      4.700900  
1 1 1 -8  -14 5  o 170.027 6.7776 1449.21  113.744 1361.00  160.717 1537.74  161.001 162.992 10.039 173.655 9.4284 -10.66373      13.77212  
1 1 1 -8  -14 6  o 44.140  0.9981 96.193   4.3486  94.155   5.7724  98.866   6.6124  43.662  1.3394 44.737  1.4975 -1.074684      2.009096  
1 1 1 -8  -14 7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -14 8  o 98.174  6.3259 488.330  60.973  489.155  86.196  487.503  86.261  96.930  9.1165 96.752  9.1411 0.1779556      12.91012  
1 1 1 -8  -14 9  o 50.519  6.3790 130.952  31.099  129.951  44.056  131.948  43.907  49.295  9.3975 49.722  9.2881 -0.4265709     13.21293  
1 1 1 -8  -13 1  o 162.634 2.0660 1306.51  33.165  1248.91  46.646  1365.39  47.163  158.934 2.9735 166.189 2.8752 -7.255707      4.136194  
1 1 1 -8  -13 2  o 85.884  1.6345 364.233  13.856  367.049  14.132  294.248  70.451  86.215  1.6607 75.902  9.6197 10.31286       9.761977  
1 1 1 -8  -13 3  o 55.821  0.9788 153.815  5.3928  136.078  7.2539  175.732  8.0634  52.499  1.3999 59.660  1.3693 -7.161282      1.958238  
1 1 1 -8  -13 4  o 270.230 3.5901 3615.10  95.758  3687.95  135.348 3542.09  135.497 272.531 5.0316 267.052 5.1405 5.479156       7.193117  
1 1 1 -8  -13 5  o 127.055 6.4035 807.601  80.047  812.360  113.126 802.828  113.282 126.562 9.1168 125.787 9.1877 0.7747955      12.94335  
1 1 1 -8  -13 6  o 121.816 1.5273 732.908  18.364  704.554  25.804  762.010  26.142  119.389 2.1897 124.166 2.1330 -4.777573      3.056903  
1 1 1 -8  -13 7  o 121.760 6.4171 745.850  76.850  745.339  108.730 746.361  108.633 120.519 9.2100 120.610 9.1946 -0.9062958E-01 13.01403  
1 1 1 -8  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -13 9  o 28.870  7.8322 43.941   22.885  43.046   28.034  45.728   39.624  28.854  8.9299 30.694  10.676 -1.839264      13.91847  
1 1 1 -8  -13 10 o 127.669 6.5002 826.685  81.641  828.695  115.637 824.687  115.278 126.028 9.3629 125.726 9.3564 0.3016052      13.23658  
1 1 1 -8  -12 1  o 131.913 1.7430 859.281  22.695  851.359  32.002  867.294  32.189  131.265 2.4700 132.488 2.4614 -1.223312      3.487063  
1 1 1 -8  -12 2  o 160.590 2.0454 1273.80  32.422  1228.11  45.699  1320.11  46.006  157.614 2.9375 163.419 2.8522 -5.804779      4.094371  
1 1 1 -8  -12 3  o 126.460 2.2339 790.039  27.883  791.648  28.816  766.383  110.500 126.584 2.3063 123.244 9.1490 3.339653       9.435217  
1 1 1 -8  -12 4  o 145.320 1.8435 1042.96  26.442  1025.99  37.315  1060.08  37.475  144.078 2.6239 146.455 2.5924 -2.377213      3.688549  
1 1 1 -8  -12 5  o 47.803  12.559 121.117  60.024  0.0000   0.0000  121.117  60.024  ?       ?      47.803  12.559 0.000000       12.55857  
1 1 1 -8  -12 6  o 155.699 1.9482 1197.61  29.940  1181.11  42.209  1214.31  42.474  154.544 2.7671 156.704 2.7461 -2.159424      3.898410  
1 1 1 -8  -12 7  o 17.611  1.3394 15.404   2.3108  14.130   2.8175  18.020   4.0390  16.825  1.7208 18.967  2.1982 -2.142010      2.791598  
1 1 1 -8  -12 8  o 102.794 6.2951 531.671  63.564  541.627  89.942  521.737  89.843  102.765 8.9567 100.773 9.1316 1.991783       12.79098  
1 1 1 -8  -12 9  o 92.651  13.303 467.032  118.163 0.0000   0.0000  467.032  118.163 ?       ?      92.651  13.303 0.000000       13.30255  
1 1 1 -8  -12 10 o 93.565  6.3126 443.188  57.957  413.162  81.821  473.424  82.108  88.946  9.4651 95.614  8.7989 -6.667870      12.92318  
1 1 1 -8  -12 11 o 99.651  6.3434 503.682  62.068  502.956  87.676  504.412  87.879  98.172  9.1538 98.310  9.1619 -0.1384125     12.95113  
1 1 1 -8  -11 1  o 164.131 2.1972 1330.65  35.596  1301.21  50.216  1360.38  50.465  162.233 3.1360 165.885 3.0821 -3.652344      4.397023  
1 1 1 -8  -11 2  o 68.530  1.0292 231.823  6.9615  216.521  9.4373  250.088  10.311  66.224  1.4438 71.172  1.4677 -4.947952      2.058809  
1 1 1 -8  -11 3  o 112.292 1.7239 622.655  19.107  636.586  23.565  595.914  32.648  113.525 2.1030 109.790 3.0127 3.735344       3.674118  
1 1 1 -8  -11 4  o 108.967 1.4116 586.226  15.183  620.428  21.422  551.702  21.522  112.081 1.9364 105.686 2.0632 6.395172       2.829515  
1 1 1 -8  -11 5  o 207.887 2.5628 2135.75  52.587  2200.94  74.314  2070.36  74.425  210.900 3.5699 204.530 3.6866 6.369537       5.131814  
1 1 1 -8  -11 6  o 38.412  6.3982 75.412   23.405  94.479   33.420  57.059   32.788  42.734  8.2216 33.253  9.5105 9.481880       12.57157  
1 1 1 -8  -11 7  o 141.138 1.7808 983.905  24.808  964.289  34.642  1004.56  35.544  139.667 2.5129 142.552 2.5262 -2.885071      3.563156  
1 1 1 -8  -11 8  o 59.810  6.2083 180.587  36.117  180.371  51.258  180.800  50.897  59.042  9.0871 59.138  9.0038 -0.9568787E-01 12.79230  
1 1 1 -8  -11 9  o 77.881  6.1432 305.725  46.840  315.278  66.243  296.172  66.240  78.288  8.7208 75.738  9.0395 2.550110       12.56045  
1 1 1 -8  -11 10 o 79.308  6.2365 318.167  48.426  298.721  68.185  337.960  68.788  75.708  9.3215 80.824  8.7630 -5.116089      12.79375  
1 1 1 -8  -11 11 o 62.368  6.2960 197.878  38.227  199.604  54.109  196.158  54.013  61.649  9.1717 61.075  9.2494 0.5735397      13.02578  
1 1 1 -8  -11 12 o 57.983  6.3607 171.831  35.805  168.687  49.988  175.144  51.310  56.383  9.3070 57.447  9.3722 -1.063820      13.20825  
1 1 1 -8  -10 1  o 222.598 2.7216 2448.32  59.797  2426.97  84.508  2469.73  84.623  221.489 3.8655 223.436 3.8371 -1.946823      5.446628  
1 1 1 -8  -10 2  o 47.738  0.9125 112.484  4.2994  122.740  6.3110  103.602  5.8731  49.863  1.2823 45.811  1.2989 4.052303       1.825187  
1 1 1 -8  -10 3  o 119.643 1.7701 706.843  20.904  681.956  25.744  755.012  35.815  117.499 2.2197 123.592 2.9359 -6.092529      3.680618  
1 1 1 -8  -10 4  o 53.293  1.0299 140.195  5.4176  136.717  6.3240  149.787  10.502  52.626  1.2175 55.072  1.9321 -2.446537      2.283666  
1 1 1 -8  -10 5  o 65.630  0.9637 212.612  6.2427  213.099  8.7934  212.117  8.8639  65.699  1.3560 65.548  1.3700 0.1518021      1.927636  
1 1 1 -8  -10 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -10 7  o 121.004 2.8012 723.882  33.456  726.373  35.260  701.382  105.972 121.200 2.9474 117.760 9.1899 3.440323       9.651018  
1 1 1 -8  -10 8  o 128.813 2.1958 819.933  27.918  841.252  39.423  798.486  39.541  130.398 3.0630 127.031 3.1536 3.367111       4.396228  
1 1 1 -8  -10 9  o 88.250  6.1787 391.035  53.481  359.310  75.509  422.969  75.758  83.668  9.3008 91.120  8.5222 -7.451897      12.61483  
1 1 1 -8  -10 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -10 11 o 82.845  6.2395 347.085  50.646  346.082  71.606  348.090  71.643  81.667  9.0346 81.918  9.0094 -0.2503281     12.75903  
1 1 1 -8  -10 12 o 128.834 6.4316 837.347  81.787  855.860  115.701 818.859  115.628 128.529 9.1806 125.566 9.3976 2.963280       13.13765  
1 1 1 -8  -9  1  o 58.898  0.9485 171.222  5.5139  168.245  7.5770  174.573  8.0392  58.380  1.3149 59.467  1.3696 -1.087177      1.898641  
1 1 1 -8  -9  2  o 63.335  0.9805 197.999  6.1296  195.294  8.7742  200.577  8.5668  62.896  1.4133 63.742  1.3616 -0.8457031     1.962544  
1 1 1 -8  -9  3  o 160.786 2.0303 1276.75  32.222  1242.33  45.519  1311.32  45.618  158.546 2.9087 162.895 2.8373 -4.348602      4.063323  
1 1 1 -8  -9  4  o 58.865  0.9188 171.032  5.3386  160.768  7.4442  181.902  7.6604  57.066  1.3216 60.702  1.2785 -3.635738      1.838830  
1 1 1 -8  -9  5  o 38.356  1.0984 72.622   4.1584  50.039   31.309  73.028   4.1956  31.401  9.3814 38.463  1.1051 -7.061617      9.446218  
1 1 1 -8  -9  6  o 131.146 1.6563 849.255  21.440  849.984  30.313  848.526  30.328  131.168 2.3414 131.055 2.3446 0.1127472      3.313459  
1 1 1 -8  -9  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -9  8  o 149.536 6.5577 1114.36  96.791  1092.23  136.877 1136.50  136.889 146.982 9.4854 150.014 9.2906 -3.032074      13.27740  
1 1 1 -8  -9  9  o 147.781 2.1133 1079.11  30.826  1110.84  51.777  1061.69  38.367  149.778 3.5023 146.531 2.6527 3.246887       4.393518  
1 1 1 -8  -9  10 o 74.492  6.1923 279.306  45.117  270.145  63.773  288.486  63.835  72.433  9.1224 74.992  8.7908 -2.559372      12.66875  
1 1 1 -8  -9  11 o 32.438  8.8579 55.460   29.160  62.186   41.988  49.196   40.526  34.671  10.960 31.729  10.807 2.941912       15.39158  
1 1 1 -8  -9  12 o 23.087  6.6100 27.539   15.830  20.597   22.193  34.728   22.585  21.922  7.9522 26.055  8.0073 -4.133331      11.28512  
1 1 1 -8  -9  13 f 38.429  6.6677 76.645   24.374  77.737   34.460  75.552   34.480  38.078  9.2583 37.525  9.3447 0.5524597      13.15447  
1 1 1 -8  -8  1  o 74.373  1.0852 273.022  7.9662  261.332  11.242  284.813  11.290  72.758  1.5654 75.957  1.5059 -3.199211      2.172129  
1 1 1 -8  -8  2  o 30.951  1.1471 47.287   3.5043  46.958   5.1922  47.562   4.7490  30.792  1.7151 31.039  1.5501 -0.2464466     2.311835  
1 1 1 -8  -8  3  o 138.387 1.8513 945.637  25.288  964.719  35.768  926.568  35.756  139.740 2.5932 136.946 2.6452 2.793915       3.704340  
1 1 1 -8  -8  4  o 192.983 2.3978 1839.74  45.673  1840.16  64.573  1839.33  64.609  192.912 3.3912 192.868 3.3939 0.4353333E-01  4.797826  
1 1 1 -8  -8  5  o 133.451 1.7007 879.362  22.402  873.184  31.663  885.553  31.698  132.948 2.4129 133.887 2.3986 -0.9390869     3.402275  
1 1 1 -8  -8  6  o 67.248  6.0614 226.446  39.800  235.154  56.395  217.805  56.179  68.061  8.5858 65.384  8.9391 2.676262       12.39449  
1 1 1 -8  -8  7  o 94.723  1.2297 442.932  11.497  463.768  16.418  422.885  16.104  96.912  1.7164 92.540  1.7631 4.371567       2.460566  
1 1 1 -8  -8  8  o 66.954  1.9094 221.405  12.618  205.415  55.111  222.289  12.963  63.374  9.0689 67.087  1.9576 -3.712410      9.277775  
1 1 1 -8  -8  9  o 52.312  6.2461 138.171  31.613  146.071  44.850  130.370  44.568  53.248  8.8437 50.121  9.3529 3.127037       12.87201  
1 1 1 -8  -8  10 o 183.478 2.5767 1664.57  46.664  1674.89  58.301  1646.18  77.840  183.948 3.2110 182.144 4.3297 1.804337       5.390450  
1 1 1 -8  -8  11 o 123.179 1.8038 749.710  21.931  714.775  37.042  768.566  27.213  120.131 3.1239 124.681 2.2113 -4.549561      3.827370  
1 1 1 -8  -8  12 o 33.556  6.6246 58.570   21.163  64.062   30.098  53.201   29.762  34.759  8.7723 31.809  9.0485 2.950315       12.60272  
1 1 1 -8  -8  13 o 66.599  6.2799 225.141  40.794  218.911  57.762  231.341  57.621  64.611  9.3275 66.581  8.9984 -1.969765      12.96046  
1 1 1 -8  -8  14 o 61.806  6.3304 194.718  38.073  181.185  53.759  208.337  53.930  58.395  9.6650 63.015  8.9198 -4.620300      13.15200  
1 1 1 -8  -7  1  o 219.850 2.6850 2387.12  58.264  2377.89  82.389  2396.36  82.408  219.344 3.8055 220.195 3.7916 -0.8514709     5.372000  
1 1 1 -8  -7  2  o 140.235 1.7806 970.914  24.646  978.254  34.890  963.604  34.820  140.738 2.5117 139.679 2.5256 1.058380       3.561892  
1 1 1 -8  -7  3  f 77.211  1.0896 294.264  8.3038  288.972  11.680  299.673  11.807  76.508  1.5467 77.911  1.5354 -1.403870      2.179405  
1 1 1 -8  -7  4  o 39.963  0.9159 78.829   3.6128  72.195   4.8607  87.018   5.4004  38.243  1.2877 41.985  1.3032 -3.742470      1.832062  
1 1 1 -8  -7  5  o 80.077  1.0638 316.516  8.4083  322.505  11.902  310.549  11.880  80.823  1.4920 79.310  1.5176 1.512794       2.128147  
1 1 1 -8  -7  6  o 148.960 1.8701 1095.73  27.496  1064.65  38.851  1126.93  38.921  146.785 2.6815 151.022 2.6110 -4.237381      3.742733  
1 1 1 -8  -7  7  o 136.734 6.3865 929.465  86.193  916.708  121.891 942.224  121.900 134.964 9.2049 136.875 9.0744 -1.910431      12.92577  
1 1 1 -8  -7  8  o 266.589 3.5318 3515.79  92.934  3506.41  131.465 3525.17  131.393 265.913 5.0088 266.628 4.9927 -0.7142944     7.072138  
1 1 1 -8  -7  9  o 144.685 1.8149 1033.84  25.919  1010.91  36.628  1056.84  36.682  143.020 2.5947 146.237 2.5413 -3.217072      3.631912  
1 1 1 -8  -7  10 o 182.291 2.2572 1642.02  40.614  1618.39  57.419  1665.69  57.455  180.857 3.2165 183.487 3.1724 -2.629959      4.517762  
1 1 1 -8  -7  11 o 117.455 6.3627 691.359  73.489  690.497  103.941 692.219  103.916 116.459 9.1151 116.611 9.1004 -0.1521149     12.88028  
1 1 1 -8  -7  12 o 58.684  13.025 187.641  73.477  0.0000   0.0000  187.641  73.477  ?       ?      58.684  13.025 0.000000       13.02530  
1 1 1 -8  -7  13 o 120.399 2.8328 718.171  33.664  606.005  104.594 731.134  35.556  107.884 9.9339 121.459 2.9659 -13.57401      10.36724  
1 1 1 -8  -7  14 o 90.588  6.4168 415.687  57.004  406.313  80.604  425.067  80.628  88.283  9.3944 90.432  9.1592 -2.149452      13.12046  
1 1 1 -8  -6  1  o 246.695 2.9415 3005.70  71.624  2928.71  101.239 3082.86  101.345 243.419 4.2137 249.752 4.1111 -6.333405      5.886975  
1 1 1 -8  -6  2  o 67.470  1.0170 224.687  6.7726  236.310  9.6089  213.212  9.5472  69.190  1.4070 65.721  1.4718 3.469170       2.036106  
1 1 1 -8  -6  3  o 147.761 1.8449 1077.96  26.906  1038.28  37.983  1117.92  38.120  144.983 2.6543 150.446 2.5671 -5.462341      3.692551  
1 1 1 -8  -6  4  o 117.523 1.5440 681.860  17.910  693.482  25.378  670.327  25.280  118.501 2.1697 116.505 2.1984 1.996117       3.088782  
1 1 1 -8  -6  5  o 71.174  1.0073 250.045  7.0763  235.797  9.9123  264.852  10.105  69.111  1.4531 73.246  1.3977 -4.135277      2.016238  
1 1 1 -8  -6  6  o 182.467 2.2685 1644.54  40.857  1667.29  57.813  1621.85  57.748  183.648 3.1894 181.124 3.2302 2.524002       4.539412  
1 1 1 -8  -6  7  o 46.867  0.8355 108.413  3.8648  102.322  5.5241  114.254  5.4090  45.528  1.2293 48.110  1.1391 -2.582355      1.675900  
1 1 1 -8  -6  8  o 112.860 2.0259 629.084  22.568  632.028  23.199  577.210  97.394  113.121 2.0778 106.916 9.3224 6.205872       9.551113  
1 1 1 -8  -6  9  o 97.049  1.2754 464.965  12.217  471.551  17.317  458.440  17.237  97.718  1.7954 96.350  1.8125 1.368660       2.551233  
1 1 1 -8  -6  10 o 118.398 1.5374 692.182  17.967  730.508  25.642  655.217  25.182  121.603 2.1364 115.161 2.2154 6.441330       3.077692  
1 1 1 -8  -6  11 o 91.981  1.2248 417.713  11.120  436.814  15.856  399.225  15.599  94.043  1.7082 89.904  1.7579 4.139389       2.451144  
1 1 1 -8  -6  12 o 95.847  1.3024 453.643  12.321  459.091  17.488  448.272  17.362  96.393  1.8381 95.250  1.8468 1.143059       2.605579  
1 1 1 -8  -6  13 o 128.156 1.6606 811.528  21.005  815.149  29.721  807.915  29.690  128.364 2.3458 127.792 2.3538 0.5719528      3.323148  
1 1 1 -8  -6  14 o 71.185  2.2417 250.711  15.751  277.914  62.910  248.892  16.269  73.131  8.8988 70.920  2.3241 2.211288       9.197252  
1 1 1 -8  -6  15 o 93.532  6.3579 443.337  58.347  426.947  82.198  459.982  82.836  90.430  9.3437 94.058  9.0337 -3.627144      12.99668  
1 1 1 -8  -5  1  o 63.388  1.0392 198.316  6.5018  190.830  9.1076  206.097  9.2849  62.178  1.4840 64.617  1.4558 -2.439556      2.078833  
1 1 1 -8  -5  2  o 304.423 3.5820 4578.82  107.630 4622.38  152.221 4535.28  152.202 305.697 5.0449 302.796 5.0926 2.900116       7.168346  
1 1 1 -8  -5  3  o 145.144 1.8226 1040.05  26.112  1089.53  37.024  991.076  36.832  148.532 2.5254 141.658 2.6342 6.873901       3.649181  
1 1 1 -8  -5  4  o 198.757 2.4304 1951.08  47.679  1922.32  67.421  1979.86  67.436  197.211 3.4636 200.144 3.4136 -2.933777      4.863096  
1 1 1 -8  -5  5  o 134.974 1.8104 899.530  24.120  883.806  34.097  915.278  34.124  133.756 2.5827 136.119 2.5398 -2.362869      3.622273  
1 1 1 -8  -5  6  o 149.693 1.9109 1106.53  28.234  1064.29  39.853  1149.10  40.005  146.761 2.7512 152.504 2.6576 -5.742142      3.825166  
1 1 1 -8  -5  7  o 142.825 1.8094 1007.28  25.508  991.482  36.054  1023.11  36.092  141.660 2.5786 143.904 2.5410 -2.244171      3.620197  
1 1 1 -8  -5  8  o 123.875 1.6024 757.648  19.592  750.363  27.718  764.921  27.698  123.249 2.2785 124.440 2.2550 -1.191032      3.205692  
1 1 1 -8  -5  9  o 152.895 2.0506 1154.60  30.946  1098.59  43.652  1211.19  43.876  149.077 2.9666 156.541 2.8397 -7.464462      4.106641  
1 1 1 -8  -5  10 o 48.758  0.8724 117.344  4.1984  106.821  5.9075  128.083  5.9678  46.516  1.2867 50.937  1.1870 -4.420628      1.750569  
1 1 1 -8  -5  11 f 58.340  1.0211 168.012  5.8799  166.184  8.1888  169.958  8.4483  58.015  1.4300 58.669  1.4589 -0.6546021     2.042893  
1 1 1 -8  -5  12 o 138.201 1.7681 943.480  24.119  934.254  34.131  952.682  34.087  137.458 2.5156 138.810 2.4879 -1.351974      3.538067  
1 1 1 -8  -5  13 o 63.503  1.0572 199.102  6.6267  194.061  9.2667  204.378  9.4800  62.680  1.4978 64.325  1.4931 -1.644772      2.114920  
1 1 1 -8  -5  14 o 68.376  1.1004 230.865  7.4266  219.516  10.222  243.551  10.808  66.655  1.5537 70.209  1.5596 -3.554047      2.201467  
1 1 1 -8  -5  15 o 17.612  2.5297 15.671   4.2714  16.898   5.1789  13.061   7.5538  18.228  2.9816 15.987  4.5623 2.240681       5.450171  
1 1 1 -8  -5  16 o 72.180  1.2679 257.374  9.0332  261.360  12.287  252.685  13.325  72.708  1.7121 71.477  1.8888 1.230545       2.549294  
1 1 1 -8  -4  1  o 309.509 4.1021 4733.14  125.318 4764.51  177.242 4701.77  177.212 310.356 5.7859 308.301 5.8235 2.054718       8.209168  
1 1 1 -8  -4  2  o 39.501  1.0800 77.012   4.2108  84.768   5.9150  69.043   5.9958  41.441  1.4461 37.399  1.6242 4.041595       2.174683  
1 1 1 -8  -4  3  o 205.666 2.5340 2088.78  51.440  2147.53  72.792  2030.17  72.702  208.478 3.5374 202.695 3.6339 5.783127       5.071353  
1 1 1 -8  -4  4  o 99.158  1.3352 485.342  13.068  479.989  18.472  490.706  18.490  98.600  1.8980 99.695  1.8791 -1.095047      2.670835  
1 1 1 -8  -4  5  f 131.841 1.7758 858.200  23.109  867.986  32.754  848.500  32.609  132.562 2.5033 131.065 2.5207 1.497208       3.552526  
1 1 1 -8  -4  6  o 151.835 1.9240 1138.40  28.834  1106.96  40.732  1169.98  40.823  149.679 2.7571 153.885 2.6877 -4.205795      3.850323  
1 1 1 -8  -4  7  o 97.014  1.3130 464.615  12.573  476.120  17.864  453.321  17.699  98.194  1.8431 95.813  1.8715 2.380699       2.626717  
1 1 1 -8  -4  8  o 109.740 1.4390 594.545  15.587  603.351  22.122  585.862  21.967  110.530 2.0277 108.915 2.0433 1.614342       2.878694  
1 1 1 -8  -4  9  o 115.930 2.1618 663.835  24.737  666.918  143.326 663.740  25.114  113.852 12.986 115.920 2.1949 -2.067703      13.17062  
1 1 1 -8  -4  10 o 109.702 1.4344 594.167  15.531  588.408  21.985  599.906  21.945  109.147 2.0407 110.209 2.0173 -1.062271      2.869480  
1 1 1 -8  -4  11 o 179.801 2.2696 1597.26  40.279  1571.74  56.904  1622.90  57.022  178.255 3.2342 181.139 3.1893 -2.883652      4.542201  
1 1 1 -8  -4  12 o 68.296  1.1920 230.279  8.0355  243.899  9.7404  201.261  14.217  70.281  1.4041 63.817  2.2571 6.464413       2.658204  
1 1 1 -8  -4  13 o 110.587 1.5381 604.035  16.789  587.880  23.716  620.267  23.771  109.052 2.2033 112.020 2.1499 -2.968109      3.078408  
1 1 1 -8  -4  14 o 75.993  1.1742 285.177  8.8075  303.480  12.477  267.000  12.434  78.373  1.6129 73.506  1.7138 4.866669       2.353447  
1 1 1 -8  -4  15 o 65.863  1.1470 214.227  7.4567  207.442  10.306  221.681  10.803  64.790  1.6115 66.976  1.6341 -2.185432      2.295034  
1 1 1 -8  -4  16 o 114.148 1.5810 643.950  17.813  668.656  25.135  619.018  25.249  116.242 2.1906 111.831 2.2874 4.411514       3.167215  
1 1 1 -8  -3  1  o 137.500 1.9467 933.284  26.420  953.265  39.686  917.380  35.407  138.943 2.8938 136.309 2.6317 2.633911       3.911487  
1 1 1 -8  -3  2  o 163.170 2.0254 1314.35  32.620  1347.83  46.208  1281.08  46.057  165.212 2.8336 161.067 2.8970 4.144867       4.052437  
1 1 1 -8  -3  3  o 142.838 1.8558 1007.20  26.164  1006.65  35.319  1007.86  38.951  142.782 2.5061 142.859 2.7623 -0.7765198E-01 3.729764  
1 1 1 -8  -3  4  o 108.257 1.3839 578.497  14.787  559.865  20.849  597.353  20.975  106.488 1.9836 109.997 1.9319 -3.508522      2.768949  
1 1 1 -8  -3  5  o 49.465  0.9560 120.768  4.6674  130.177  6.6658  111.718  6.5376  51.353  1.3151 47.573  1.3923 3.780670       1.915163  
1 1 1 -8  -3  6  o 45.177  0.8687 100.737  3.8736  93.478   5.2823  109.181  5.6974  43.517  1.2298 47.030  1.2274 -3.513390      1.737478  
1 1 1 -8  -3  7  o 41.772  0.8888 86.124   3.6646  85.013   5.2864  87.152   5.0846  41.498  1.2906 42.018  1.2260 -0.5193253     1.780108  
1 1 1 -8  -3  8  o 49.296  0.8686 119.946  4.2263  116.192  5.8800  123.958  6.0788  48.516  1.2279 50.111  1.2290 -1.595039      1.737301  
1 1 1 -8  -3  9  o 97.579  1.3068 470.051  12.586  435.158  17.636  506.267  17.967  93.871  1.9034 101.254 1.7977 -7.383118      2.618174  
1 1 1 -8  -3  10 o 74.455  1.4406 273.694  10.587  194.588  60.096  276.228  10.755  61.401  10.279 74.799  1.4568 -13.39747      10.38201  
1 1 1 -8  -3  11 o 133.790 1.7492 883.944  23.099  898.304  32.729  869.691  32.607  134.830 2.4593 132.664 2.4901 2.166779       3.499823  
1 1 1 -8  -3  12 o 122.886 1.6109 745.723  19.539  707.643  27.463  784.759  27.806  119.667 2.3251 126.025 2.2354 -6.357994      3.225378  
1 1 1 -8  -3  13 o 69.084  1.1319 235.629  7.7181  231.430  11.048  239.631  10.786  68.451  1.6353 69.656  1.5688 -1.204498      2.266130  
1 1 1 -8  -3  14 o 36.470  1.2434 65.679   4.4759  64.979   6.8345  66.205   5.9226  36.209  1.9192 36.607  1.6391 -0.3983803     2.523889  
1 1 1 -8  -3  15 o 82.316  1.2379 334.655  10.058  342.906  14.444  326.890  14.013  83.293  1.7569 81.325  1.7457 1.967690       2.476737  
1 1 1 -8  -3  16 o 11.100  3.7033 5.7772   4.7582  7.6555   6.3123  3.3056   7.2411  12.766  4.2655 11.141  4.4194 1.624660       6.142071  
1 1 1 -8  -3  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -2  1  o 142.472 2.0731 1002.05  29.153  1020.85  41.430  983.618  41.031  143.781 2.9193 141.134 2.9454 2.647324       4.147011  
1 1 1 -8  -2  2  o 136.346 1.9557 917.707  26.319  907.596  37.219  927.821  37.224  135.575 2.7813 137.078 2.7512 -1.503052      3.912119  
1 1 1 -8  -2  3  o 106.756 1.5239 562.561  16.057  562.912  23.868  562.270  21.703  106.778 2.2647 106.721 2.0603 0.5715942E-01  3.061653  
1 1 1 -8  -2  4  o 312.623 4.0304 4830.77  124.365 4821.42  175.745 4840.15  176.013 312.078 5.7054 312.684 5.7030 -0.6058960     8.066961  
1 1 1 -8  -2  5  o 46.291  0.9703 105.764  4.4335  105.755  6.7554  105.772  5.8759  46.285  1.4787 46.290  1.2860 -0.5107880E-02 1.959692  
1 1 1 -8  -2  6  o 172.979 2.2697 1477.74  38.752  1466.50  55.634  1488.33  54.010  172.254 3.2722 173.541 3.1531 -1.286713      4.544130  
1 1 1 -8  -2  7  o 223.390 2.7463 2465.72  60.553  2478.43  85.675  2453.04  85.596  223.833 3.8779 222.682 3.8943 1.151688       5.495813  
1 1 1 -8  -2  8  o 50.460  1.0307 125.681  5.1335  117.496  6.4651  139.648  8.4452  48.786  1.3426 53.183  1.6088 -4.396873      2.095440  
1 1 1 -8  -2  9  o 63.596  1.0854 199.643  6.8134  192.618  8.5665  211.738  11.240  62.463  1.3895 65.483  1.7391 -3.020531      2.225966  
1 1 1 -8  -2  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -2  11 o 61.913  6.1785 192.475  37.253  178.734  52.663  206.238  52.704  58.977  9.3593 63.620  8.6145 -4.643303      12.72029  
1 1 1 -8  -2  12 o 98.189  6.3234 482.043  60.958  484.205  86.261  479.887  86.154  97.757  9.0423 97.307  9.0748 0.4497757      12.81076  
1 1 1 -8  -2  13 o 13.338  5.1265 5.8641   9.4934  2.6101   13.203  9.3476   13.660  14.070  5.8236 16.265  6.1736 -2.194831      8.486897  
1 1 1 -8  -2  14 o 135.369 14.058 976.007  185.097 0.0000   0.0000  976.007  185.097 ?       ?      135.369 14.058 0.000000       14.05814  
1 1 1 -8  -2  15 o 64.204  6.3487 209.094  39.705  222.047  56.293  196.271  56.011  65.343  8.9644 61.142  9.5972 4.201336       13.13268  
1 1 1 -8  -2  16 o 15.623  4.8598 12.127   8.2908  17.790   19.900  10.938   9.1200  20.586  7.5205 15.260  5.1269 5.325901       9.101870  
1 1 1 -8  -2  17 o 36.531  2.6755 66.490   9.5802  59.977   11.850  78.779   16.277  34.559  3.5233 39.525  4.2383 -4.965813      5.511511  
1 1 1 -8  -1  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -1  2  o 433.558 5.1116 9292.97  218.744 9307.32  321.989 9280.67  298.092 433.452 7.5260 432.946 6.9756 0.5058289      10.26162  
1 1 1 -8  -1  3  o 275.128 3.4726 3739.08  94.303  3833.30  139.502 3659.79  127.972 278.430 5.0761 272.087 4.7651 6.343353       6.962291  
1 1 1 -8  -1  4  o 111.880 1.6829 617.894  18.584  614.546  21.645  627.287  36.250  111.571 1.9655 112.687 3.2591 -1.116615      3.805947  
1 1 1 -8  -1  5  o 206.619 7.0723 2118.35  144.232 2201.33  203.960 2035.35  203.990 210.097 9.8354 201.672 10.282 8.425690       14.22860  
1 1 1 -8  -1  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -1  7  o 116.588 6.2528 676.718  71.692  687.886  101.382 665.546  101.394 117.046 8.8408 115.083 8.9978 1.962540       12.61427  
1 1 1 -8  -1  8  o 86.540  6.0860 373.694  51.654  400.760  73.117  346.727  72.984  89.206  8.4031 82.773  9.0824 6.433075       12.37339  
1 1 1 -8  -1  9  o 73.655  7.0752 272.517  50.804  266.394  62.204  284.785  88.046  72.449  8.8849 74.018  12.496 -1.569069      15.33311  
1 1 1 -8  -1  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  -1  11 o 68.991  2.5575 235.203  17.416  327.029  60.743  226.978  18.179  80.573  7.7328 67.768  2.7178 12.80471       8.196537  
1 1 1 -8  -1  12 f 55.862  1.6042 154.090  8.8452  153.605  9.0059  167.322  47.025  55.773  1.6359 57.163  8.6010 -1.390057      8.755216  
1 1 1 -8  -1  13 o 42.772  1.1911 90.318   5.0284  92.870   7.2072  87.897   7.0191  43.364  1.6839 42.187  1.6857 1.176987       2.382606  
1 1 1 -8  -1  14 o 128.896 1.7967 820.812  22.858  775.053  32.028  868.318  32.634  125.180 2.5921 132.509 2.4951 -7.328552      3.597861  
1 1 1 -8  -1  15 o 79.948  1.2868 315.667  10.155  304.302  14.035  328.154  14.711  78.469  1.8121 81.485  1.8291 -3.016144      2.574702  
1 1 1 -8  -1  16 o 75.588  1.2794 282.215  9.5456  299.899  13.705  265.550  13.303  77.889  1.7826 73.289  1.8390 4.600014       2.561197  
1 1 1 -8  -1  17 o 38.013  1.6452 71.423   6.1727  74.010   9.0706  69.192   8.4242  38.588  2.3933 37.317  2.2983 1.271397       3.318122  
1 1 1 -8  0   1  o 51.117  6.0453 131.045  29.910  135.023  42.366  127.093  42.233  51.494  8.6415 49.882  8.9046 1.612911       12.40835  
1 1 1 -8  0   2  o 58.972  6.8873 174.494  39.334  169.705  68.519  176.848  48.038  57.256  12.477 59.128  8.4733 -1.872616      15.08215  
1 1 1 -8  0   3  o 198.235 6.9523 1946.28  136.033 1942.82  192.354 1949.73  192.405 197.705 9.8571 198.059 9.8421 -0.3535156     13.92949  
1 1 1 -8  0   4  o 329.961 8.7667 5408.72  285.518 5444.82  403.756 5372.61  403.810 329.977 12.397 327.752 12.482 2.225037       17.59223  
1 1 1 -8  0   5  o 358.703 9.2330 6406.67  326.895 6398.87  462.233 6414.47  462.366 356.878 13.122 357.319 13.110 -0.4409180     18.54890  
1 1 1 -8  0   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  0   7  f 183.937 6.8331 1681.29  124.056 1755.80  175.454 1606.81  175.429 187.127 9.5309 178.855 9.9770 8.272400       13.79778  
1 1 1 -8  0   8  o 262.449 3.2692 3405.39  84.689  3427.54  115.115 3379.26  125.035 263.105 4.4327 261.161 4.8505 1.943878       6.570899  
1 1 1 -8  0   9  o 115.637 1.5525 660.210  17.720  677.755  24.272  640.187  25.930  117.143 2.0992 113.841 2.3077 3.302109       3.119632  
1 1 1 -8  0   10 o 77.398  1.2432 295.721  9.4970  288.822  13.153  303.235  13.727  76.479  1.7424 78.363  1.7747 -1.884117      2.487099  
1 1 1 -8  0   11 o 65.595  1.1287 212.401  7.3079  221.600  10.515  203.805  10.164  66.992  1.5901 64.246  1.6028 2.746269       2.257791  
1 1 1 -8  0   12 o 165.828 2.1393 1358.45  35.015  1359.10  49.502  1357.80  49.536  165.786 3.0251 165.706 3.0286 0.7989502E-01  4.280661  
1 1 1 -8  0   13 o 61.321  1.2382 185.646  7.4942  192.743  10.740  178.911  10.462  62.471  1.7418 60.187  1.7611 2.283665       2.476975  
1 1 1 -8  0   14 o 111.871 1.5819 618.123  17.468  638.673  24.904  598.224  24.507  113.673 2.2196 110.012 2.2569 3.661293       3.165461  
1 1 1 -8  0   15 o 17.181  2.6937 14.960   4.4179  11.623   6.0422  18.794   6.4759  15.036  4.0010 19.164  3.5545 -4.127540      5.351828  
1 1 1 -8  0   16 o 44.729  1.3985 98.837   6.1745  94.198   8.4710  104.095  9.0187  43.646  1.9663 45.881  1.9915 -2.234356      2.798682  
1 1 1 -8  0   17 o 83.717  1.4082 346.271  11.637  347.533  16.631  345.059  16.288  83.821  2.0102 83.525  1.9756 0.2956619      2.818485  
1 1 1 -8  0   18 o 76.068  1.4912 285.982  11.196  273.019  14.988  302.348  16.841  74.278  2.0444 78.150  2.1832 -3.872925      2.990978  
1 1 1 -8  1   1  o 181.119 6.7527 1623.92  120.720 1639.09  170.710 1608.75  170.737 181.436 9.5662 179.729 9.6599 1.707306       13.59506  
1 1 1 -8  1   2  o 159.679 6.5313 1261.96  102.940 1248.66  145.579 1275.27  145.578 158.324 9.3574 160.024 9.2563 -1.700424      13.16204  
1 1 1 -8  1   3  o 346.178 8.9993 5949.72  307.499 5916.60  434.878 5982.84  434.860 344.167 12.802 346.111 12.729 -1.944550      18.05309  
1 1 1 -8  1   4  o 142.463 2.6560 1002.24  37.348  976.630  58.218  1020.16  48.688  140.568 4.1960 143.702 3.4326 -3.134140      5.421219  
1 1 1 -8  1   5  o 169.597 2.1730 1420.21  36.375  1454.51  49.357  1379.44  53.816  171.599 2.9141 167.094 3.2630 4.505127       4.374804  
1 1 1 -8  1   6  o 222.206 2.9485 2439.40  64.668  2514.89  91.606  2364.42  91.304  225.502 4.1157 218.639 4.2309 6.863068       5.902451  
1 1 1 -8  1   7  o 155.998 2.0559 1201.74  31.656  1204.37  42.999  1198.63  46.777  156.128 2.7902 155.739 3.0430 0.3892365      4.128585  
1 1 1 -8  1   8  o 363.697 4.8650 6553.75  174.644 6584.15  235.994 6516.94  259.666 363.951 6.5694 361.799 7.2713 2.152496       9.799448  
1 1 1 -8  1   9  o 282.687 3.6928 3953.42  103.037 3911.88  161.169 3982.14  133.996 280.693 5.8172 283.477 4.7890 -2.784271      7.534876  
1 1 1 -8  1   10 o 166.845 2.2131 1375.08  36.446  1392.07  49.513  1355.00  53.842  167.809 2.9893 165.529 3.2954 2.279312       4.449270  
1 1 1 -8  1   11 o 132.739 1.7629 870.099  23.097  862.027  32.676  878.159  32.652  132.081 2.5064 133.312 2.4814 -1.231842      3.526984  
1 1 1 -8  1   12 o 124.676 1.6971 767.607  20.884  760.478  30.455  773.936  28.693  124.052 2.4872 125.156 2.3227 -1.103386      3.403124  
1 1 1 -8  1   13 o 18.872  4.0207 18.315   7.2602  8.5659   19.281  19.926   7.8370  18.103  7.2018 19.684  4.1638 -1.580708      8.318822  
1 1 1 -8  1   14 o 146.984 1.9262 1067.37  27.946  1088.66  39.557  1046.15  39.485  148.365 2.7012 145.434 2.7507 2.931152       3.855198  
1 1 1 -8  1   15 o 155.639 2.0439 1197.35  31.399  1172.93  44.407  1221.77  44.403  153.917 2.9230 157.098 2.8636 -3.181595      4.091934  
1 1 1 -8  1   16 o 23.457  2.4181 27.519   5.5184  29.903   8.0974  25.452   7.5407  24.302  3.4746 22.374  3.5317 1.928270       4.954365  
1 1 1 -8  1   17 o 40.296  1.5780 80.248   6.2764  84.911   8.8027  75.425   8.9515  41.368  2.1634 38.964  2.3384 2.404297       3.185619  
1 1 1 -8  1   18 o 16.874  3.9725 14.757   6.5067  20.447   9.1034  8.8148   9.3036  19.825  4.7201 14.372  5.1575 5.452348       6.991347  
1 1 1 -8  2   1  o 302.250 4.7858 4515.60  142.777 4454.43  228.997 4554.50  182.618 299.817 7.7382 303.401 6.0981 -3.583832      9.852231  
1 1 1 -8  2   2  o 133.144 2.0557 875.129  27.015  878.290  38.204  871.967  38.206  133.364 2.9023 132.883 2.9129 0.4812317      4.111991  
1 1 1 -8  2   3  o 157.381 2.1716 1222.82  33.734  1133.37  47.471  1314.07  47.948  151.484 3.1749 163.122 2.9780 -11.63699      4.352957  
1 1 1 -8  2   4  o 275.732 3.7439 3756.74  101.893 3672.53  152.039 3825.40  137.286 272.410 5.6545 278.107 5.0013 -5.696625      7.548948  
1 1 1 -8  2   5  o 99.574  1.4188 489.422  13.944  501.806  19.760  477.136  19.681  100.815 1.9857 98.305  2.0283 2.510323       2.838519  
1 1 1 -8  2   6  o 162.106 2.2220 1297.68  35.553  1288.87  52.750  1305.02  48.126  161.494 3.3093 162.522 3.0001 -1.028030      4.466725  
1 1 1 -8  2   7  o 157.893 2.0217 1231.09  31.508  1226.54  44.588  1235.64  44.530  157.553 2.8672 158.137 2.8529 -0.5844421     4.044714  
1 1 1 -8  2   8  o 117.223 1.6122 678.446  18.654  697.978  26.520  659.321  26.243  118.873 2.2603 115.532 2.3013 3.340530       3.225672  
1 1 1 -8  2   9  o 86.436  1.3066 368.833  11.148  351.572  15.747  386.172  15.783  84.375  1.8909 88.432  1.8082 -4.056877      2.616295  
1 1 1 -8  2   10 o 193.125 2.5246 1842.92  48.124  1813.84  71.564  1866.93  65.021  191.449 3.7871 194.284 3.3907 -2.834488      5.083215  
1 1 1 -8  2   11 f 14.504  3.1010 10.801   4.3049  14.282   6.0750  7.2894   6.1012  16.658  3.7813 12.527  4.1935 4.130840       5.646531  
1 1 1 -8  2   12 f 66.969  1.2312 221.411  8.1381  217.845  11.330  225.211  11.696  66.417  1.7283 67.530  1.7548 -1.112968      2.462994  
1 1 1 -8  2   13 o 91.890  1.4095 416.914  12.784  413.129  17.933  420.826  18.231  91.450  1.9867 92.298  2.0012 -0.8473129     2.819824  
1 1 1 -8  2   14 o 159.417 6.7179 1270.31  105.705 1347.70  150.567 1195.11  148.436 162.964 9.4005 153.216 9.8677 9.748215       13.62871  
1 1 1 -8  2   15 o 50.159  1.2894 124.239  6.3835  129.080  9.0183  119.378  9.0370  51.112  1.7876 49.151  1.8628 1.960876       2.581727  
1 1 1 -8  2   16 o 37.371  1.5139 68.998   5.5843  63.843   8.0119  73.869   7.7876  35.852  2.2759 38.596  2.0516 -2.744053      3.064111  
1 1 1 -8  2   17 f 130.814 2.0860 846.619  26.934  816.180  33.389  903.331  45.575  128.346 2.6357 134.841 3.4243 -6.495407      4.321176  
1 1 1 -8  2   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  3   1  o 183.584 2.1074 1663.83  38.187  1619.83  53.956  1707.99  54.054  181.111 3.0183 185.977 2.9447 -4.865997      4.216761  
1 1 1 -8  3   2  o 134.080 1.8323 887.435  24.249  849.475  34.219  925.727  34.368  131.163 2.6431 136.926 2.5430 -5.763016      3.667810  
1 1 1 -8  3   3  o 48.753  1.2641 117.318  6.0832  112.655  8.5032  122.207  8.7062  47.771  1.8034 49.756  1.7728 -1.984333      2.528801  
1 1 1 -8  3   4  o 266.566 4.2993 3512.77  113.119 4013.38  295.930 3427.11  122.415 283.721 10.567 263.251 4.7112 20.46985       11.56993  
1 1 1 -8  3   5  o 119.625 1.9079 706.506  22.528  695.718  34.092  714.867  30.013  118.677 2.9104 120.312 2.5274 -1.635674      3.854661  
1 1 1 -8  3   6  o 124.650 1.8686 767.156  22.990  751.215  32.949  782.279  32.093  123.318 2.7070 125.847 2.5836 -2.529167      3.742019  
1 1 1 -8  3   7  o 173.829 2.3009 1492.42  39.478  1496.56  53.533  1487.48  58.450  174.012 3.1168 173.458 3.4140 0.5538940      4.622734  
1 1 1 -8  3   8  o 97.334  1.5164 467.737  14.569  496.188  20.667  439.637  20.539  100.233 2.0890 94.344  2.2057 5.888542       3.037921  
1 1 1 -8  3   9  o 175.882 2.5670 1528.55  44.564  1518.70  66.931  1536.39  59.729  175.178 3.8709 176.248 3.4335 -1.069336      5.174220  
1 1 1 -8  3   10 o 150.426 2.1136 1117.71  31.382  1117.11  40.564  1118.61  49.526  150.342 2.7336 150.389 3.3365 -0.4695129E-01 4.313274  
1 1 1 -8  3   11 o 207.292 2.5623 2123.51  52.426  2044.13  74.110  2203.03  74.174  203.234 3.6944 211.006 3.5614 -7.771957      5.131525  
1 1 1 -8  3   12 o 159.546 2.1073 1257.47  33.185  1301.62  49.001  1220.06  45.102  162.236 3.0600 157.086 2.9089 5.150192       4.222013  
1 1 1 -8  3   13 o 108.236 1.5121 578.474  16.154  570.332  22.645  586.912  23.052  107.442 2.1353 108.992 2.1428 -1.550163      3.025093  
1 1 1 -8  3   14 o 128.120 1.8002 810.841  22.765  809.799  31.063  812.050  33.461  127.987 2.4589 128.148 2.6454 -0.1605148     3.611692  
1 1 1 -8  3   15 o 112.443 13.432 671.362  146.128 0.0000   0.0000  671.362  146.128 ?       ?      112.443 13.432 0.000000       13.43228  
1 1 1 -8  3   16 o 76.454  6.4106 295.868  47.930  296.704  68.128  295.048  67.443  75.534  9.3367 75.349  9.2633 0.1850128      13.15228  
1 1 1 -8  3   17 o 97.894  2.9423 475.297  28.430  532.316  88.271  468.698  30.030  101.234 8.9253 97.181  3.1307 4.053833       9.458471  
1 1 1 -8  3   18 o 31.855  2.1071 50.438   6.5878  44.215   9.1084  57.264   9.5396  29.674  3.1584 33.854  2.8824 -4.180109      4.275904  
1 1 1 -8  3   19 o 18.050  3.8262 16.857   6.6053  11.086   9.7106  21.826   9.0110  15.452  5.2899 20.480  4.5734 -5.027854      6.992715  
1 1 1 -8  4   1  o 135.792 1.9287 910.282  25.851  938.045  36.800  883.232  36.324  137.829 2.7050 133.740 2.7516 4.088730       3.858590  
1 1 1 -8  4   2  o 113.528 1.6200 636.213  18.154  613.342  25.605  659.329  25.742  111.457 2.3275 115.561 2.2568 -4.104385      3.241973  
1 1 1 -8  4   3  o 87.531  1.2737 378.172  11.004  351.779  15.496  405.026  15.630  84.415  1.8598 90.580  1.7482 -6.165283      2.552454  
1 1 1 -8  4   4  o 145.675 1.8699 1047.67  26.887  1041.71  38.053  1053.61  37.996  145.235 2.6545 146.062 2.6355 -0.8274841     3.740631  
1 1 1 -8  4   5  o 301.448 6.2750 4505.01  186.707 0.0000   0.0000  4505.01  186.707 ?       ?      301.448 6.2750 0.000000       6.274992  
1 1 1 -8  4   6  o 131.165 1.7495 849.415  22.650  843.601  32.157  855.140  31.909  130.688 2.4929 131.580 2.4569 -0.8923340     3.500147  
1 1 1 -8  4   7  o 100.534 1.8347 499.061  18.206  478.898  33.301  507.656  21.743  98.417  3.4281 101.385 2.1727 -2.967506      4.058638  
1 1 1 -8  4   8  o 47.328  1.0615 110.569  4.9590  106.556  7.0709  114.454  6.9567  46.457  1.5420 48.148  1.4638 -1.691753      2.126184  
1 1 1 -8  4   9  o 117.568 1.7280 682.545  20.052  654.713  28.191  711.047  28.528  115.111 2.4812 119.965 2.4092 -4.854118      3.458390  
1 1 1 -8  4   10 o 101.703 1.4957 510.700  15.015  492.378  20.478  532.002  22.081  99.841  2.0780 103.777 2.1557 -3.936165      2.994156  
1 1 1 -8  4   11 o 50.009  1.3286 123.468  6.5579  119.804  9.2815  127.122  9.2671  49.251  1.9093 50.734  1.8506 -1.483192      2.658940  
1 1 1 -8  4   12 o 76.466  1.3803 288.688  10.418  306.242  14.573  270.342  14.898  78.743  1.8750 73.978  2.0403 4.764687       2.771016  
1 1 1 -8  4   13 o 108.400 6.3733 587.677  67.890  583.529  95.940  591.836  96.083  107.270 9.1487 108.053 9.0935 -0.7831192     12.89925  
1 1 1 -8  4   14 o 122.975 6.4341 757.118  77.826  762.026  110.870 752.351  109.274 122.460 9.2406 121.704 9.1638 0.7553329      13.01398  
1 1 1 -8  4   15 o 160.072 5.5253 1278.20  87.298  0.0000   0.0000  1278.20  87.298  ?       ?      160.072 5.5253 0.000000       5.525320  
1 1 1 -8  4   16 o 35.483  1.5034 62.200   5.2652  69.353   13.938  61.009   5.6865  37.166  3.8555 35.138  1.6396 2.027454       4.189670  
1 1 1 -8  4   17 o 85.912  1.5072 364.734  12.781  357.685  17.939  372.002  18.214  85.021  2.1377 86.707  2.1282 -1.685890      3.016477  
1 1 1 -8  4   18 f 40.593  1.8732 81.509   7.5054  83.696   10.294  79.027   10.966  41.016  2.5554 39.817  2.8084 1.199139       3.797004  
1 1 1 -8  4   19 o 19.670  3.6372 19.880   6.8014  18.025   9.8201  21.590   9.4291  18.645  5.1607 20.346  4.7769 -1.701515      7.032168  
1 1 1 -8  5   1  o 183.778 2.5915 1667.76  47.010  1628.10  66.500  1707.39  66.463  181.526 3.7115 185.899 3.6222 -4.372818      5.186086  
1 1 1 -8  5   2  o 173.071 2.2202 1478.91  37.928  1513.65  53.711  1444.36  53.565  175.055 3.1085 170.999 3.1736 4.057022       4.442369  
1 1 1 -8  5   3  o 180.357 2.4130 1606.26  42.957  1597.17  60.793  1615.32  60.706  179.794 3.4257 180.815 3.4015 -1.020462      4.827545  
1 1 1 -8  5   4  o 232.332 3.4100 2667.32  78.198  2699.61  110.733 2635.20  110.444 233.587 4.8028 230.778 4.8486 2.808624       6.824636  
1 1 1 -8  5   5  o 216.409 3.0603 2314.00  65.369  2305.09  97.887  2321.17  87.821  215.833 4.5949 216.642 4.1070 -0.8091888     6.162780  
1 1 1 -8  5   6  o 122.879 6.3759 751.535  77.065  789.528  110.071 715.003  107.933 125.451 8.9479 119.287 9.2391 6.164375       12.86179  
1 1 1 -8  5   7  o 172.747 2.2132 1473.93  37.736  1450.77  53.445  1496.95  53.290  171.313 3.1607 174.023 3.1024 -2.710052      4.428910  
1 1 1 -8  5   8  o 108.880 1.9793 585.482  21.271  612.836  32.940  565.917  27.858  111.342 2.9973 107.015 2.6374 4.327065       3.992444  
1 1 1 -8  5   9  o 109.132 1.7444 588.128  18.790  584.255  25.683  592.591  27.564  108.743 2.3928 109.508 2.5501 -0.7645264     3.496968  
1 1 1 -8  5   10 o 90.083  1.4732 400.670  13.099  373.797  19.501  422.764  17.682  86.983  2.2714 92.518  1.9363 -5.535606      2.984755  
1 1 1 -8  5   11 o 104.155 6.2382 541.826  63.836  534.555  90.093  549.158  90.464  102.802 8.9686 104.232 8.8777 -1.429657      12.61940  
1 1 1 -8  5   12 o 192.968 7.0025 1858.65  133.374 1867.16  188.480 1850.11  188.760 192.058 9.9769 191.146 10.040 0.9117737      14.15420  
1 1 1 -8  5   13 o 73.079  6.3395 268.198  45.275  266.561  63.805  269.859  64.254  72.188  9.1610 72.638  9.1661 -0.4497452     12.95925  
1 1 1 -8  5   14 o 150.435 2.1471 1118.36  31.881  1141.09  43.357  1091.62  47.041  151.873 2.8923 148.503 3.2093 3.370148       4.320271  
1 1 1 -8  5   15 o 56.403  1.3828 157.112  7.6983  151.246  10.348  164.384  11.521  55.324  1.8949 57.671  2.0239 -2.347641      2.772551  
1 1 1 -8  5   16 o 39.297  3.2443 77.093   12.471  73.875   36.222  77.526   13.283  37.209  9.7465 39.378  3.4524 -2.169605      10.33989  
1 1 1 -8  5   17 o 36.777  1.7462 66.870   6.3388  64.937   8.7470  69.009   9.1988  36.126  2.4678 37.241  2.5173 -1.114613      3.525174  
1 1 1 -8  5   18 o 67.624  1.5360 226.045  10.252  222.477  14.722  229.405  14.286  67.030  2.2251 68.076  2.1261 -1.045410      3.077607  
1 1 1 -8  5   19 o 23.121  3.1415 27.054   6.9836  25.246   9.7448  28.963   10.013  22.042  4.6266 23.679  4.4476 -1.637667      6.417643  
1 1 1 -8  6   1  o 39.620  1.0978 77.479   4.2930  74.464   6.0697  80.497   6.0727  38.839  1.5833 40.382  1.5235 -1.543190      2.197291  
1 1 1 -8  6   2  o 52.178  1.0566 134.379  5.4417  133.782  7.6968  134.975  7.6945  52.059  1.4979 52.291  1.4908 -0.2318001     2.113342  
1 1 1 -8  6   3  o 128.614 1.7884 816.652  22.703  789.950  31.945  843.903  32.272  126.470 2.5591 130.720 2.5012 -4.249680      3.578423  
1 1 1 -8  6   4  o 124.050 1.8125 759.757  22.192  741.833  31.217  778.071  31.555  122.552 2.5807 125.511 2.5471 -2.958923      3.625997  
1 1 1 -8  6   5  f 112.498 1.5679 624.797  17.409  617.449  24.810  631.924  24.435  111.814 2.2480 113.119 2.1885 -1.305115      3.137384  
1 1 1 -8  6   6  o 156.671 2.4924 1212.57  38.543  1263.45  54.519  1161.73  54.497  159.852 3.4554 153.269 3.6023 6.582825       4.991610  
1 1 1 -8  6   7  o 164.969 2.9986 1345.25  48.826  1373.08  51.655  1111.80  149.584 166.655 3.1402 148.375 10.277 18.27966       10.74623  
1 1 1 -8  6   8  o 67.604  1.2912 225.625  8.6157  222.105  12.522  228.790  11.873  67.062  1.8917 68.067  1.7672 -1.004631      2.588761  
1 1 1 -8  6   9  o 32.802  6.9415 55.629   21.774  48.412   30.682  62.951   30.904  30.894  9.3000 34.775  8.9508 -3.881433      12.90760  
1 1 1 -8  6   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  6   11 o 108.524 6.2727 588.362  66.905  583.275  94.566  593.460  94.670  107.367 9.0066 108.328 8.9336 -0.9609070     12.68574  
1 1 1 -8  6   12 o 51.779  1.4501 132.385  7.4112  136.204  10.216  128.140  10.768  52.510  1.9710 50.927  2.1422 1.582478       2.911018  
1 1 1 -8  6   13 o 82.128  1.4890 333.076  12.070  319.367  16.789  347.740  17.365  80.396  2.1157 83.892  2.0971 -3.496109      2.978937  
1 1 1 -8  6   14 o 105.263 1.6666 547.292  17.315  555.024  25.217  540.394  23.818  105.955 2.4112 104.557 2.3079 1.398132       3.337726  
1 1 1 -8  6   15 o 83.539  1.4515 344.686  11.969  346.717  16.764  342.575  17.093  83.754  2.0278 83.249  2.0802 0.5050507      2.905064  
1 1 1 -8  6   16 o 42.277  1.6668 88.325   6.9554  87.955   9.7146  88.713   9.9628  42.097  2.3474 42.273  2.3976 -0.1766434     3.355373  
1 1 1 -8  6   17 o 11.568  4.1900 5.5225   6.1581  5.3192   6.4404  7.6896   21.027  11.601  4.2723 18.324  7.4402 -6.722780      8.579549  
1 1 1 -8  6   18 o 57.107  1.4058 161.168  7.9241  157.182  10.288  166.981  12.425  56.368  1.8491 58.073  2.1676 -1.704662      2.849161  
1 1 1 -8  6   19 o 72.239  1.4536 257.963  10.365  259.713  16.103  256.725  13.543  72.401  2.2534 72.024  1.9050 0.3775330      2.950715  
1 1 1 -8  7   1  o 428.597 4.9968 9092.34  211.387 9183.41  298.994 9001.33  298.899 430.116 7.0428 425.807 7.1118 4.309662       10.00889  
1 1 1 -8  7   2  o 299.174 3.8617 4425.32  114.035 4502.74  161.412 4348.17  161.129 301.511 5.4238 296.274 5.5099 5.237305       7.731524  
1 1 1 -8  7   3  o 123.538 1.8655 753.528  22.747  746.333  32.304  760.604  32.037  122.917 2.6627 124.089 2.6157 -1.171669      3.732487  
1 1 1 -8  7   4  o 131.866 1.9508 858.624  25.391  848.716  35.933  868.504  35.883  131.066 2.7776 132.587 2.7419 -1.520950      3.902967  
1 1 1 -8  7   5  o 284.786 3.4414 4010.06  96.735  4040.36  136.895 3979.84  136.713 285.596 4.8562 283.443 4.8866 2.153687       6.889297  
1 1 1 -8  7   6  o 99.743  1.7240 491.243  16.973  495.691  24.015  486.803  23.993  100.168 2.4290 99.265  2.4488 0.9029617      3.449093  
1 1 1 -8  7   7  o 191.253 7.0077 1822.23  132.287 1825.39  188.266 1819.15  185.920 190.225 10.063 189.945 9.9513 0.2804871      14.15229  
1 1 1 -8  7   8  o 56.617  6.5535 161.681  35.946  151.361  52.085  171.065  49.670  53.973  10.150 57.737  9.0101 -3.764435      13.57192  
1 1 1 -8  7   9  o 51.965  9.1752 139.524  45.340  147.309  65.735  132.458  62.620  52.687  12.773 49.988  12.674 2.698689       17.99370  
1 1 1 -8  7   10 o 111.332 1.6958 612.113  18.635  610.328  27.711  613.587  25.179  111.125 2.5264 111.436 2.2892 -0.3108368     3.409249  
1 1 1 -8  7   11 o 153.373 2.1715 1162.23  32.873  1146.67  46.339  1177.99  46.642  152.255 3.0835 154.323 3.0621 -2.068085      4.345595  
1 1 1 -8  7   12 o 95.873  1.5700 453.913  14.857  453.495  21.862  454.271  20.253  95.794  2.3122 95.885  2.1399 -0.9126282E-01 3.150440  
1 1 1 -8  7   13 o 45.137  1.1765 100.586  5.2416  99.717   7.1954  101.568  7.6510  44.934  1.6224 45.347  1.7094 -0.4133835     2.356685  
1 1 1 -8  7   14 o 27.674  1.3309 37.818   3.6355  37.605   3.9181  39.138   9.7497  27.557  1.4456 27.871  3.6303 -0.3141441     3.907484  
1 1 1 -8  7   15 o 103.291 1.6504 527.092  16.826  520.348  23.848  533.776  23.742  102.573 2.3555 103.891 2.3153 -1.318756      3.302929  
1 1 1 -8  7   16 o 51.843  1.5534 132.798  7.9491  131.415  11.187  134.209  11.297  51.541  2.1990 52.087  2.1974 -0.5452461     3.108733  
1 1 1 -8  7   17 o 37.416  1.9000 69.423   6.9937  69.837   9.8012  68.993   9.9824  37.441  2.6696 37.203  2.7377 0.2374992      3.823861  
1 1 1 -8  7   18 o 83.218  1.6126 342.421  13.246  343.627  18.942  341.268  18.530  83.283  2.3043 83.002  2.2618 0.2805481      3.228860  
1 1 1 -8  7   19 o 29.721  7.7069 47.334   22.798  40.135   31.683  55.064   32.831  28.160  9.5554 31.943  9.6211 -3.782877      13.55995  
1 1 1 -8  8   1  o 96.774  1.5072 462.340  14.397  445.577  19.302  483.358  21.614  94.990  2.0587 98.931  2.2134 -3.940567      3.022797  
1 1 1 -8  8   2  o 344.320 4.3716 5867.46  148.570 5850.44  210.208 5884.44  210.011 343.331 6.2030 344.335 6.1791 -1.003448      8.755520  
1 1 1 -8  8   3  o 35.892  1.0783 63.590   3.8202  60.207   5.4760  66.797   5.3321  34.921  1.5887 36.784  1.4686 -1.862595      2.163532  
1 1 1 -8  8   4  o 102.781 2.3880 521.848  24.226  492.651  34.286  550.962  34.237  99.812  3.4802 105.565 3.2858 -5.753319      4.786242  
1 1 1 -8  8   5  o 45.648  6.6306 105.756  29.001  98.034   41.451  113.161  40.589  43.349  9.9044 46.763  9.1214 -3.413250      13.46468  
1 1 1 -8  8   6  o 65.894  7.2801 219.048  46.559  231.897  81.764  212.883  56.639  66.427  12.936 64.547  9.1459 1.880241       15.84238  
1 1 1 -8  8   7  o 134.437 7.4717 905.080  98.754  909.232  171.449 903.018  120.807 132.718 13.266 133.784 9.2046 -1.066345      16.14629  
1 1 1 -8  8   8  o 214.450 3.4120 2275.50  72.222  2340.43  125.985 2243.73  88.142  216.936 5.8838 212.807 4.1963 4.129272       7.226862  
1 1 1 -8  8   9  o 100.532 1.6252 499.094  16.127  498.285  22.307  499.979  23.341  100.423 2.2505 100.588 2.3510 -0.1651840     3.254495  
1 1 1 -8  8   10 o 47.119  1.5801 109.638  7.3486  110.533  10.705  108.840  10.106  47.295  2.2931 46.935  2.1815 0.3607216      3.165026  
1 1 1 -8  8   11 o 120.299 1.8955 714.863  22.507  709.604  33.278  719.297  30.555  119.790 2.8145 120.626 2.5663 -0.8358078     3.808832  
1 1 1 -8  8   12 o 68.865  1.4494 234.176  9.8517  224.110  14.413  243.002  13.497  67.345  2.1683 70.134  1.9497 -2.789482      2.915965  
1 1 1 -8  8   13 o 75.575  1.4071 282.042  10.496  276.261  14.290  288.815  15.468  74.777  1.9361 76.452  2.0498 -1.675011      2.819648  
1 1 1 -8  8   14 o 68.530  1.5029 231.949  10.166  238.213  14.177  225.318  14.586  69.425  2.0688 67.514  2.1888 1.911087       3.011822  
1 1 1 -8  8   15 o 112.803 1.7828 628.798  19.850  637.320  27.377  619.352  28.824  113.500 2.4437 111.869 2.6105 1.630646       3.575795  
1 1 1 -8  8   16 f 58.517  1.5607 169.205  9.0142  164.158  12.652  174.409  12.846  57.600  2.2253 59.373  2.1921 -1.773491      3.123668  
1 1 1 -8  8   17 o 32.847  1.6054 53.338   5.2049  50.416   5.6197  70.966   13.803  31.878  1.7933 37.562  3.7740 -5.683826      4.178451  
1 1 1 -8  8   18 o 112.491 6.5746 647.151  72.682  658.723  101.913 635.173  103.685 111.548 9.3422 109.225 9.7190 2.323532       13.48093  
1 1 1 -8  8   19 o 23.604  5.9496 29.389   13.857  52.979   30.281  23.141   15.584  31.293  9.1956 21.294  6.6693 9.999149       11.35954  
1 1 1 -8  9   1  o 199.504 3.9559 1969.63  77.899  1955.10  109.977 1984.26  110.356 198.495 5.6133 199.973 5.5910 -1.478958      7.922668  
1 1 1 -8  9   2  o 142.430 6.5204 1008.70  91.666  1041.69  128.867 974.913  130.418 143.953 9.1167 139.118 9.5557 4.834778       13.20702  
1 1 1 -8  9   3  o 34.852  7.1355 62.678   23.720  63.437   34.514  61.998   32.655  35.016  9.6679 34.589  9.3440 0.4271240      13.44544  
1 1 1 -8  9   4  o 265.805 7.9554 3529.30  208.716 3576.24  293.315 3481.15  297.059 266.015 11.171 262.285 11.475 3.729919       16.01429  
1 1 1 -8  9   5  o 19.342  4.8876 19.273   9.3350  11.924   22.360  20.824   10.273  19.961  7.8131 20.107  5.1527 -0.1456203     9.359215  
1 1 1 -8  9   6  o 108.439 1.6240 580.659  17.383  611.499  24.775  550.758  24.395  111.252 2.2562 105.577 2.3410 5.674400       3.251232  
1 1 1 -8  9   7  f 158.863 2.0721 1246.74  32.492  1271.59  46.212  1222.44  45.693  160.361 2.9196 157.229 2.9443 3.132217       4.146433  
1 1 1 -8  9   8  o 261.942 3.9369 3398.69  101.787 3509.11  144.290 3289.31  143.610 265.698 5.5019 257.189 5.6572 8.508606       7.891428  
1 1 1 -8  9   9  o 193.262 3.6156 1849.28  68.969  2002.13  193.498 1827.04  73.818  199.039 9.8493 192.047 3.8942 6.991989       10.59121  
1 1 1 -8  9   10 o 94.409  1.6146 440.172  15.046  445.555  21.301  434.814  21.254  94.953  2.2728 93.800  2.2957 1.152779       3.230445  
1 1 1 -8  9   11 o 144.406 2.0847 1030.35  29.714  1051.99  41.888  1008.43  42.157  145.833 2.9100 142.773 2.9915 3.060181       4.173431  
1 1 1 -8  9   12 o 60.400  1.7368 180.198  10.354  181.834  12.897  177.232  17.367  60.659  2.1541 59.852  2.9398 0.8072929      3.644531  
1 1 1 -8  9   13 o 9.0544  1.6707 4.1786   1.4381  3.5552   2.1327  4.6985   1.9476  8.3972  2.4326 9.5635  2.1190 -1.166288      3.226104  
1 1 1 -8  9   14 o 143.406 2.1602 1016.67  30.576  1049.93  45.697  989.705  41.143  145.589 3.1800 141.388 2.9482 4.200485       4.336383  
1 1 1 -8  9   15 o 74.979  1.4915 277.724  11.038  275.867  15.972  279.421  15.273  74.687  2.1666 75.174  2.0583 -0.4870758     2.988439  
1 1 1 -8  9   16 o 132.878 7.8202 903.875  102.114 872.505  178.566 919.119  124.476 125.044 14.752 132.836 9.5576 -7.791252      17.57730  
1 1 1 -8  9   17 o 65.932  6.5414 222.915  42.008  213.847  59.263  232.072  59.553  63.129  9.8309 66.025  9.4041 -2.895424      13.60455  
1 1 1 -8  9   18 o 80.795  1.7864 322.997  14.246  318.954  20.588  326.712  19.734  80.172  2.6017 81.164  2.4634 -0.9921646     3.582856  
1 1 1 -8  9   19 o 51.914  2.9460 134.454  15.033  137.023  15.847  111.353  47.519  52.383  3.0785 44.395  10.920 7.988319       11.34536  
1 1 1 -8  10  1  o 150.935 6.5772 1134.31  97.986  1151.24  138.647 1117.43  138.501 151.108 9.3417 148.819 9.4782 2.289566       13.30802  
1 1 1 -8  10  2  o 98.349  6.3143 483.254  60.972  476.902  85.839  489.723  86.619  97.074  9.0636 98.393  9.0195 -1.318459      12.78672  
1 1 1 -8  10  3  o 97.180  1.4701 466.291  14.101  475.624  20.283  457.560  19.618  98.124  2.0943 96.244  2.0651 1.880096       2.941179  
1 1 1 -8  10  4  o 88.802  1.5241 389.376  13.358  413.892  18.905  364.927  18.879  91.534  2.0925 85.944  2.2255 5.590218       3.054693  
1 1 1 -8  10  5  o 61.792  1.2606 188.509  7.6884  183.752  11.160  192.807  10.607  60.995  1.8536 62.483  1.7200 -1.488258      2.528673  
1 1 1 -8  10  6  o 212.073 3.5898 2226.42  75.143  2276.03  106.271 2176.82  106.267 214.107 5.0286 209.360 5.1424 4.747269       7.192482  
1 1 1 -8  10  7  o 32.302  0.8257 51.504   2.6328  49.900   3.7297  53.096   3.7169  31.792  1.1885 32.795  1.1483 -1.002594      1.652610  
1 1 1 -8  10  8  f 163.197 2.5860 1316.66  41.655  1320.43  58.865  1312.87  58.955  163.293 3.6522 162.822 3.6684 0.4707336      5.176438  
1 1 1 -8  10  9  o 139.268 2.1368 958.370  29.372  950.956  43.583  964.540  39.757  138.625 3.1853 139.646 2.8844 -1.020432      4.297168  
1 1 1 -8  10  10 o 68.528  6.4978 236.487  43.425  229.854  62.070  242.846  60.776  66.742  9.7066 68.787  9.1806 -2.045593      13.36047  
1 1 1 -8  10  11 o 124.822 1.9768 769.801  24.355  770.088  34.954  769.531  33.955  124.770 2.8383 124.732 2.7580 0.3704071E-01  3.957572  
1 1 1 -8  10  12 o 114.051 1.8671 642.650  21.018  648.078  30.694  637.858  28.840  114.461 2.7169 113.569 2.5728 0.8925552      3.741730  
1 1 1 -8  10  13 o 140.396 2.0789 974.240  28.809  975.639  41.192  972.900  40.306  140.387 2.9727 140.199 2.9127 0.1886597      4.161801  
1 1 1 -8  10  14 o 165.174 3.9991 1355.07  65.198  1323.91  92.198  1386.24  92.209  162.715 5.7406 166.551 5.6091 -3.835648      8.026038  
1 1 1 -8  10  15 o 17.412  6.8753 8.8195   17.451  1.6759   25.995  14.681   23.546  18.869  8.0131 20.787  8.0504 -1.918150      11.35868  
1 1 1 -8  10  16 o 84.668  2.5197 355.162  21.058  372.486  31.422  341.038  28.371  86.520  3.6795 82.825  3.4704 3.695343       5.057879  
1 1 1 -8  10  17 o 19.229  5.0463 19.274   9.6985  19.375   12.623  19.128   15.153  19.511  5.9845 19.825  6.6085 -0.3139591     8.915501  
1 1 1 -8  10  18 o 27.774  3.8946 39.289   10.383  35.407   15.401  42.524   14.058  25.869  6.1263 28.613  5.1677 -2.743885      8.014808  
1 1 1 -8  10  19 o 107.921 1.9435 576.864  20.703  590.599  29.063  562.716  29.498  109.016 2.7010 106.381 2.8093 2.634521       3.897094  
1 1 1 -8  11  1  o 20.834  0.8678 21.425   1.7846  24.394   3.0421  19.867   2.2035  22.184  1.3964 20.030  1.1191 2.154083       1.789506  
1 1 1 -8  11  2  o 193.385 2.8763 1849.28  54.902  1911.65  77.711  1787.12  77.577  196.438 4.0080 189.908 4.1386 6.529877       5.761248  
1 1 1 -8  11  3  o 60.335  1.1726 179.714  6.9833  187.119  9.8803  172.322  9.8716  61.556  1.6262 59.070  1.6931 2.485527       2.347568  
1 1 1 -8  11  4  o 103.946 1.5844 533.566  16.255  540.159  23.378  527.395  22.618  104.553 2.2653 103.312 2.2181 1.240044       3.170406  
1 1 1 -8  11  5  o 48.651  1.1415 116.849  5.4813  115.874  7.8511  117.777  7.6560  48.439  1.6421 48.836  1.5883 -0.3973351     2.284561  
1 1 1 -8  11  6  o 156.490 2.0463 1209.90  31.608  1191.93  44.699  1227.87  44.701  155.237 2.9173 157.565 2.8742 -2.327850      4.095317  
1 1 1 -8  11  7  o 157.349 2.3239 1223.65  36.092  1229.49  51.334  1217.93  50.754  157.609 3.2999 156.869 3.2779 0.7398529      4.651205  
1 1 1 -8  11  8  o 32.153  1.1305 51.038   3.5876  49.957   5.1339  52.069   5.0154  31.762  1.6432 32.470  1.5649 -0.7086811     2.269157  
1 1 1 -8  11  9  o 109.314 1.8441 590.306  19.898  608.850  33.201  579.912  24.856  110.926 3.0324 108.316 2.3249 2.609474       3.821074  
1 1 1 -8  11  10 o 144.004 2.0261 1024.68  28.799  1055.41  41.016  994.802  40.445  146.060 2.8451 141.799 2.8897 4.261215       4.055210  
1 1 1 -8  11  11 o 142.396 2.8051 1003.20  39.426  1007.98  41.393  956.474  129.435 142.718 2.9384 136.897 9.6406 5.820862       10.07851  
1 1 1 -8  11  12 o 52.305  1.5189 135.126  7.8414  137.275  13.475  134.026  9.6421  52.680  2.5915 52.081  1.8757 0.5987091      3.199102  
1 1 1 -8  11  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  11  14 o 132.888 6.7173 891.258  87.822  891.629  126.580 890.913  121.949 131.274 9.8407 131.448 9.4625 -0.1744995     13.65204  
1 1 1 -8  11  15 o 74.150  1.4669 271.667  10.736  268.733  14.793  274.931  15.606  73.708  2.0333 74.546  2.1209 -0.8377762     2.938125  
1 1 1 -8  11  16 o 98.655  1.7721 481.362  17.257  477.937  23.799  485.159  25.059  98.208  2.4552 98.928  2.5663 -0.7205124     3.551558  
1 1 1 -8  11  17 o 32.967  2.9780 54.460   9.5856  62.826   13.941  46.960   13.201  35.210  4.0876 30.268  4.5602 4.941957       6.124073  
1 1 1 -8  11  18 o 22.398  4.8480 26.235   10.407  33.674   15.229  19.718   14.255  25.193  6.1728 19.816  6.3987 5.377310       8.890860  
1 1 1 -8  11  19 o 10.228  2.8517 5.3549   2.9870  4.6446   3.0569  20.358   14.050  9.6444  2.9427 19.990  6.3418 -10.34574      6.991286  
1 1 1 -8  12  1  o 108.525 1.7153 581.691  18.374  583.231  25.809  580.108  26.164  108.628 2.4071 108.334 2.4468 0.2939682      3.432334  
1 1 1 -8  12  2  o 142.556 1.9967 1003.98  28.095  1014.77  41.885  995.164  37.880  143.229 2.9627 141.866 2.7052 1.362946       4.011949  
1 1 1 -8  12  3  f 183.260 2.3927 1659.95  43.280  1683.95  61.443  1636.33  60.974  184.440 3.3750 181.810 3.3978 2.630142       4.789146  
1 1 1 -8  12  4  o 124.865 1.8573 770.169  22.891  795.580  32.485  745.107  32.261  126.852 2.5945 122.756 2.6626 4.095680       3.717632  
1 1 1 -8  12  5  o 36.027  1.2004 64.081   4.2687  66.843   6.1400  61.496   5.9389  36.788  1.6909 35.286  1.7052 1.502220       2.401436  
1 1 1 -8  12  6  o 171.047 2.4397 1446.32  41.188  1400.97  58.026  1492.37  58.475  168.195 3.4953 173.609 3.4124 -5.413712      4.884827  
1 1 1 -8  12  7  o 80.554  1.4704 320.445  11.691  334.177  16.541  306.736  16.527  82.238  2.0378 78.785  2.1253 3.452911       2.944391  
1 1 1 -8  12  8  o 78.090  1.4467 301.136  11.151  312.643  15.785  289.673  15.755  79.544  2.0105 76.563  2.0848 2.981300       2.896298  
1 1 1 -8  12  9  o 48.485  1.1718 116.068  5.6076  119.307  7.8859  112.755  7.9757  49.147  1.6256 47.777  1.6913 1.370232       2.345845  
1 1 1 -8  12  10 o 42.967  1.5575 91.182   6.6053  89.018   7.2494  101.764  16.029  42.450  1.7302 45.168  3.6260 -2.718605      4.017643  
1 1 1 -8  12  11 o 48.021  6.9900 118.043  32.159  128.046  47.052  109.273  44.055  49.253  10.020 45.413  10.091 3.840416       14.22014  
1 1 1 -8  12  12 o 83.742  9.3950 361.759  76.316  382.376  109.006 341.938  106.881 84.262  13.567 79.296  14.176 4.966309       19.62205  
1 1 1 -8  12  13 o 76.604  1.8715 290.041  14.151  303.289  20.760  278.543  19.340  78.271  2.6871 75.016  2.6120 3.254524       3.747424  
1 1 1 -8  12  14 o 86.514  1.6296 369.881  13.915  358.237  19.225  382.695  20.167  85.085  2.2892 87.938  2.3235 -2.852943      3.261746  
1 1 1 -8  12  15 o 73.842  1.8467 269.669  13.460  270.428  18.752  268.863  19.331  73.872  2.5717 73.648  2.6593 0.2245178      3.699443  
1 1 1 -8  12  16 o 54.922  2.0920 149.366  11.341  144.403  16.039  154.326  16.037  53.819  3.0317 55.661  2.9293 -1.842236      4.215712  
1 1 1 -8  12  17 o 65.969  1.6877 215.335  10.989  223.681  18.362  210.677  13.717  67.088  2.7730 65.201  2.1314 1.886154       3.497444  
1 1 1 -8  12  18 o 95.111  2.1621 448.543  20.298  452.738  26.231  442.281  32.044  95.407  2.7855 94.104  3.4499 1.302933       4.434052  
1 1 1 -8  12  19 o 87.853  1.7372 382.191  15.064  356.540  23.805  399.323  19.454  84.612  2.8504 89.709  2.1971 -5.097389      3.598906  
1 1 1 -8  13  1  o 148.727 3.0627 1094.59  44.961  1298.71  137.973 1070.34  47.556  160.246 8.7563 147.042 3.2767 13.20389       9.349297  
1 1 1 -8  13  2  o 187.694 3.0400 1743.27  56.319  1820.12  76.102  1650.21  83.739  191.595 4.0242 182.290 4.6540 9.305008       6.152548  
1 1 1 -8  13  3  o 79.997  1.4242 316.018  11.245  318.443  15.895  313.588  15.912  80.280  2.0059 79.665  2.0236 0.6151428      2.849294  
1 1 1 -8  13  4  o 99.660  1.5732 490.525  15.475  500.599  22.262  481.105  21.526  100.640 2.2411 98.663  2.2105 1.976982       3.147813  
1 1 1 -8  13  5  o 175.306 2.5745 1519.74  44.547  1490.17  66.299  1544.08  60.148  173.373 3.8743 176.563 3.4513 -3.190521      5.188642  
1 1 1 -8  13  6  o 16.329  1.1727 13.232   1.8775  11.584   2.7135  14.745   2.6005  15.201  1.8464 17.209  1.5475 -2.008213      2.409103  
1 1 1 -8  13  7  o 16.933  4.2259 14.789   7.0404  17.473   10.273  12.412   9.6675  18.527  5.3310 16.112  5.2741 2.415060       7.499009  
1 1 1 -8  13  8  o 62.290  1.3958 191.609  8.5815  200.922  12.517  183.349  11.788  63.764  1.9888 60.913  1.9606 2.851078       2.792727  
1 1 1 -8  13  9  o 103.395 6.4814 537.267  65.811  515.310  92.347  559.925  93.812  100.246 9.4443 104.636 9.1759 -4.390106      13.16786  
1 1 1 -8  13  10 o 59.039  6.8773 177.232  39.325  173.587  56.325  180.699  54.930  57.416  10.318 58.771  9.8154 -1.355259      14.24092  
1 1 1 -8  13  11 o 61.297  1.5894 185.618  9.6161  196.352  13.549  174.724  13.650  63.017  2.1783 59.438  2.3266 3.579742       3.187212  
1 1 1 -8  13  12 o 90.915  2.5883 409.116  23.227  0.0000   0.0000  409.116  23.227  ?       ?      90.915  2.5883 0.000000       2.588299  
1 1 1 -8  13  13 o 54.019  1.3939 144.149  7.4319  146.298  10.442  141.942  10.579  54.395  1.9450 53.576  2.0006 0.8188210      2.790209  
1 1 1 -8  13  14 o 11.216  1.3265 6.3012   1.4401  1.0739   1.9281  12.896   2.1657  5.9265  2.3013 16.097  1.3763 -10.17074      2.681446  
1 1 1 -8  13  15 o 37.128  1.2687 68.111   4.6494  65.564   6.4948  70.788   6.6586  36.406  1.8074 37.830  1.7833 -1.423775      2.539080  
1 1 1 -8  13  16 o 55.047  1.3524 149.782  7.3480  147.631  10.306  152.006  10.479  54.606  1.9122 55.409  1.9160 -0.8028641     2.706986  
1 1 1 -8  13  17 o 14.339  5.2373 8.6006   9.6500  3.3242   13.895  13.516   13.412  14.393  5.9672 17.357  6.1962 -2.964502      8.602363  
1 1 1 -8  13  18 o 78.915  1.7313 308.354  13.486  316.047  21.209  303.133  17.473  79.707  2.6958 78.153  2.2651 1.554413       3.521079  
1 1 1 -8  13  19 o 61.309  7.2157 199.598  42.829  206.392  61.105  193.037  60.049  59.978  10.715 57.805  10.925 2.173042       15.30231  
1 1 1 -8  14  1  o 89.034  1.5100 391.495  13.270  412.149  19.309  373.010  18.267  91.319  2.1423 86.875  2.1303 4.443382       3.021159  
1 1 1 -8  14  2  o 104.474 2.2939 539.570  23.654  0.0000   0.0000  539.570  23.654  ?       ?      104.474 2.2939 0.000000       2.293887  
1 1 1 -8  14  3  o 106.743 1.8347 562.928  19.330  569.847  26.780  555.403  27.928  107.344 2.5276 105.962 2.6703 1.381889       3.676857  
1 1 1 -8  14  4  o 55.241  1.6562 150.735  9.0305  166.969  13.052  135.829  12.507  58.116  2.2754 52.412  2.4177 5.704517       3.320033  
1 1 1 -8  14  5  o 17.783  1.1548 15.680   2.0160  12.091   2.8939  19.063   2.8100  15.524  1.9303 19.592  1.4637 -4.068412      2.422506  
1 1 1 -8  14  6  o 108.608 1.7807 582.774  19.089  583.896  27.532  581.734  26.491  108.648 2.5673 108.456 2.4746 0.1926041      3.565794  
1 1 1 -8  14  7  o 116.527 6.6211 682.663  75.839  660.518  106.240 705.673  108.295 113.490 9.5736 117.395 9.4254 -3.905563      13.43471  
1 1 1 -8  14  8  f 42.641  7.6763 94.318   31.120  91.017   44.402  97.505   43.629  41.306  10.777 42.774  10.428 -1.468639      14.99645  
1 1 1 -8  14  9  o 44.289  3.9297 98.141   17.000  50.373   42.265  107.361  18.569  32.260  11.036 46.311  4.1048 -14.05078      11.77459  
1 1 1 -8  14  10 o 28.334  1.0521 39.639   2.9423  35.379   4.1716  43.857   4.1506  26.713  1.5893 29.798  1.4112 -3.084982      2.125425  
1 1 1 -8  14  11 o 12.739  2.4111 8.2952   2.9207  8.1840   2.9781  11.093   14.942  12.643  2.4751 17.207  6.4740 -4.563881      6.930969  
1 1 1 -8  14  12 o 100.471 1.7416 498.951  17.271  516.106  24.440  481.840  24.409  102.109 2.4250 98.651  2.5068 3.458000       3.487739  
1 1 1 -8  14  13 o 12.509  5.5422 -4.3250  13.573  3.5279   24.043  -7.9985  16.444  18.489  7.7707 13.226  5.9620 5.263027       9.794370  
1 1 1 -8  14  14 o 12.247  1.4327 7.5140   1.6991  15.179   2.3480  -0.9126  2.4619  17.472  1.3725 5.3025  2.3543 12.16954       2.725197  
1 1 1 -8  14  15 o 69.641  1.4709 239.788  10.111  239.495  13.182  240.206  15.759  69.553  1.9201 69.610  2.2937 -0.5675507E-01 2.991244  
1 1 1 -8  14  16 o 62.977  2.0297 196.542  12.617  202.806  17.691  190.058  17.999  63.853  2.8070 61.788  2.9513 2.065022       4.072968  
1 1 1 -8  14  17 o 98.904  2.0098 484.946  19.620  496.771  27.994  473.529  27.507  99.879  2.8397 97.509  2.8580 2.370163       4.028867  
1 1 1 -8  14  18 o 53.483  8.2414 155.391  42.109  138.212  70.639  164.861  52.446  46.588  14.131 53.857  10.240 -7.269100      17.45090  
1 1 1 -8  14  19 o 120.748 2.1205 724.051  25.273  714.697  35.647  733.505  35.835  119.584 3.0201 121.159 2.9966 -1.575020      4.254447  
1 1 1 -8  15  1  o 64.954  1.5214 208.390  9.7538  202.686  14.368  213.266  13.283  64.025  2.2736 65.687  2.0488 -1.661377      3.060561  
1 1 1 -8  15  2  o 50.950  1.6733 128.241  8.4146  128.161  12.431  128.309  11.432  50.903  2.4741 50.941  2.2737 -0.3810120E-01 3.360167  
1 1 1 -8  15  3  o 52.583  14.238 151.615  75.716  0.0000   0.0000  151.615  75.716  ?       ?      52.583  14.238 0.000000       14.23822  
1 1 1 -8  15  4  f 113.760 2.0440 639.672  22.951  671.201  39.226  623.260  28.301  116.368 3.4152 112.242 2.5545 4.125641       4.264851  
1 1 1 -8  15  5  o 133.472 13.782 950.438  178.952 950.438  178.952 0.0000   0.0000  133.472 13.782 ?       ?      0.000000       13.78187  
1 1 1 -8  15  6  o 60.928  10.246 195.262  59.429  195.262  59.429  0.0000   0.0000  60.928  10.246 ?       ?      0.000000       10.24566  
1 1 1 -8  15  7  o 77.607  2.5485 298.025  19.521  315.027  28.672  283.332  26.653  79.680  3.6456 75.574  3.5731 4.106483       5.104697  
1 1 1 -8  15  8  o 146.449 2.5179 1061.33  36.396  1085.11  51.476  1037.56  51.468  147.889 3.5264 144.595 3.6062 3.294083       5.043818  
1 1 1 -8  15  9  o 117.690 1.9844 684.790  23.052  701.960  33.333  669.052  31.914  119.046 2.8368 116.230 2.7819 2.815880       3.973191  
1 1 1 -8  15  10 o 62.781  1.5272 194.741  9.4638  199.930  13.737  190.053  13.057  63.574  2.1891 61.987  2.1341 1.586712       3.057194  
1 1 1 -8  15  11 o 65.386  2.0255 211.467  13.072  223.297  19.503  201.816  17.616  67.107  2.9443 63.813  2.7968 3.294830       4.060912  
1 1 1 -8  15  12 o 39.955  1.3415 78.872   5.2904  74.934   7.5241  82.722   7.4401  38.870  1.9675 40.898  1.8431 -2.028122      2.695945  
1 1 1 -8  15  13 o 105.338 1.8817 549.011  19.564  550.505  27.333  547.441  28.016  105.354 2.6284 105.046 2.7021 0.3083115      3.769601  
1 1 1 -8  15  14 o 59.173  2.2666 173.553  13.238  171.628  13.623  206.221  56.124  58.834  2.3458 61.767  9.5110 -2.932167      9.795968  
1 1 1 -8  15  15 o 21.426  4.8356 24.071   9.9839  27.099   13.347  20.224   15.044  22.625  5.9114 20.096  6.5791 2.528843       8.844734  
1 1 1 -8  15  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  15  17 o 82.385  6.8071 356.108  54.858  352.806  77.990  359.341  77.178  79.200  10.215 80.162  9.9696 -0.9621201     14.27351  
1 1 1 -8  15  18 o 64.529  1.5796 206.201  10.061  197.117  14.187  215.390  14.269  62.976  2.2824 65.847  2.1955 -2.871536      3.166899  
1 1 1 -8  16  1  o 93.777  1.9565 434.727  18.109  434.219  22.335  435.702  30.941  93.682  2.4154 93.733  3.3443 -0.5153656E-01 4.125372  
1 1 1 -8  16  2  o 72.494  9.6161 273.750  67.110  289.321  95.068  258.283  94.747  72.715  13.749 68.252  14.511 4.463448       19.99052  
1 1 1 -8  16  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  16  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  16  5  o 108.462 1.8693 581.484  20.012  598.919  28.409  564.310  28.195  109.994 2.6167 106.761 2.6756 3.232704       3.742440  
1 1 1 -8  16  6  o 85.525  1.7708 361.511  14.949  380.239  21.540  344.110  20.763  87.651  2.4898 83.380  2.5229 4.271271       3.544542  
1 1 1 -8  16  7  o 106.657 1.8147 562.304  19.104  575.046  26.839  549.218  27.199  107.779 2.5229 105.319 2.6165 2.460350       3.634674  
1 1 1 -8  16  8  o 144.702 2.4228 1036.44  34.604  1062.14  47.413  1007.15  50.618  146.302 3.2833 142.386 3.6017 3.916260       4.873661  
1 1 1 -8  16  9  f 108.651 1.9308 583.789  20.707  606.535  28.528  558.463  30.103  110.654 2.6120 106.137 2.8735 4.516953       3.883181  
1 1 1 -8  16  10 o 51.007  2.4122 128.849  12.145  128.669  17.837  129.004  16.582  50.742  3.5844 50.853  3.3219 -0.1107407     4.887026  
1 1 1 -8  16  11 o 33.294  1.0715 54.748   3.5212  63.698   4.9990  45.934   4.9608  35.902  1.4107 30.435  1.6576 5.467194       2.176632  
1 1 1 -8  16  12 o 71.287  1.5745 251.273  11.078  261.549  15.505  240.555  15.835  72.669  2.1616 69.675  2.3026 2.994255       3.158227  
1 1 1 -8  16  13 o 18.764  1.2041 17.470   2.2184  18.335   3.0533  16.503   3.2286  19.184  1.6279 18.169  1.8250 1.014824       2.445506  
1 1 1 -8  16  14 o 27.526  1.8217 37.684   4.9215  35.888   5.0762  65.794   20.086  26.846  1.9285 35.439  5.9532 -8.593000      6.257786  
1 1 1 -8  16  15 o 77.513  9.9410 334.313  74.304  309.496  106.332 357.997  103.874 68.665  15.988 75.885  14.395 -7.220726      21.51319  
1 1 1 -8  16  16 o 15.276  1.4473 11.651   2.1563  3.4763   2.9875  20.539   3.1153  8.6615  2.9343 20.309  1.5662 -11.64706      3.326093  
1 1 1 -8  16  17 o 33.360  0.9266 54.987   3.0512  61.576   3.7540  42.162   5.2372  35.294  1.0776 29.104  1.8325 6.190399       2.125840  
1 1 1 -8  16  18 o 13.403  5.4188 4.5996   11.103  5.0948   14.745  3.9511   16.873  15.060  6.1857 15.591  6.5289 -0.5306845     8.993893  
1 1 1 -8  17  1  o 22.834  7.9013 24.389   21.690  21.822   29.697  27.324   31.755  23.893  9.0945 25.519  9.4697 -1.626616      13.12953  
1 1 1 -8  17  2  o 113.532 2.5626 638.388  28.716  609.136  41.273  665.837  39.980  110.670 3.7783 115.770 3.4988 -5.099648      5.149485  
1 1 1 -8  17  3  o 43.590  1.5888 93.901   6.8358  96.557   14.092  93.084   7.8171  43.987  3.2691 43.391  1.8252 0.5959015      3.744120  
1 1 1 -8  17  4  o 94.811  1.6862 444.310  15.780  442.263  22.070  446.453  22.571  94.521  2.3655 94.963  2.4081 -0.4415054     3.375577  
1 1 1 -8  17  5  o 98.307  2.4639 478.549  23.907  477.485  24.826  492.142  88.720  98.184  2.5617 97.146  9.3688 1.038208       9.712661  
1 1 1 -8  17  6  o 91.992  1.7604 418.384  15.985  429.990  23.447  408.307  21.848  93.169  2.5497 90.804  2.4377 2.364967       3.527509  
1 1 1 -8  17  7  o 60.658  1.4226 181.805  8.5171  192.761  12.526  172.384  11.615  62.420  2.0331 59.031  1.9935 3.388603       2.847404  
1 1 1 -8  17  8  o 26.497  0.8142 34.665   2.1296  36.361   3.0491  33.051   2.9755  27.132  1.1386 25.867  1.1654 1.264717       1.629273  
1 1 1 -8  17  9  o 37.131  1.3020 68.123   4.7719  61.757   6.8142  74.250   6.6846  35.273  1.9650 38.747  1.7479 -3.474136      2.629880  
1 1 1 -8  17  10 o 43.301  2.7630 93.442   11.747  100.506  16.949  86.911   16.297  44.710  3.8790 41.522  4.0271 3.188244       5.591457  
1 1 1 -8  17  11 o 57.570  1.4632 163.865  8.3143  168.678  11.901  159.277  11.620  58.357  2.0661 56.706  2.0761 1.650364       2.929025  
1 1 1 -8  17  12 o 139.941 2.2933 971.363  31.677  993.053  44.796  949.669  44.800  141.152 3.2153 138.003 3.2889 3.149170       4.599461  
1 1 1 -8  17  13 o 57.321  7.1177 173.312  39.404  177.722  55.961  168.975  55.494  56.077  10.496 54.518  10.695 1.558815       14.98473  
1 1 1 -8  17  14 o 26.556  9.7065 34.698   33.156  30.167   51.746  37.853   43.185  28.428  11.622 28.458  10.935 -0.2933693E-01 15.95736  
1 1 1 -8  17  15 o 21.213  5.6110 23.976   11.929  28.284   13.972  12.389   22.915  22.960  6.0721 19.542  7.8255 3.417782       9.904983  
1 1 1 -8  17  16 o 3.4341  1.6207 -1.6418  1.4353  -2.5630  1.9520  -0.5576  2.1177  3.8751  1.8465 5.0347  2.2116 -1.159658      2.881123  
1 1 1 -8  17  17 o 43.022  1.2552 91.575   5.3303  83.907   7.4508  99.614   7.6287  41.123  1.8356 44.821  1.7244 -3.697948      2.518529  
1 1 1 -8  18  1  o 82.003  1.7631 332.642  14.270  338.246  20.599  327.470  19.788  82.590  2.5269 81.273  2.4668 1.317146       3.531316  
1 1 1 -8  18  2  o 58.439  1.9256 168.999  11.107  187.650  16.359  153.049  15.129  61.500  2.6950 55.534  2.7600 5.965855       3.857530  
1 1 1 -8  18  3  o 82.939  1.5378 340.063  12.589  347.964  17.252  331.063  18.413  83.838  2.0848 81.751  2.2819 2.086617       3.090827  
1 1 1 -8  18  4  o 64.746  1.4745 207.205  9.4231  211.901  13.600  202.869  13.069  65.422  2.1060 64.016  2.0683 1.405785       2.951822  
1 1 1 -8  18  5  o 51.846  1.0995 132.778  5.6268  138.624  7.9667  126.959  7.9484  52.954  1.5242 50.673  1.5892 2.280697       2.201963  
1 1 1 -8  18  6  o 72.134  2.2201 257.744  15.807  250.710  16.237  385.259  69.133  71.132  2.3126 85.846  8.2609 -14.71391      8.578510  
1 1 1 -8  18  7  f 71.222  1.5382 250.808  10.813  257.006  15.873  245.439  14.772  72.023  2.2328 70.396  2.1259 1.626595       3.083005  
1 1 1 -8  18  8  o 11.888  2.0069 7.1898   2.2711  7.2768   2.3164  5.0328   11.535  11.957  2.0356 13.880  5.5544 -1.922856      5.915617  
1 1 1 -8  18  9  f 86.613  1.9381 371.477  16.569  412.136  24.925  339.285  22.179  91.070  2.7729 82.640  2.7190 8.429100       3.883562  
1 1 1 -8  18  10 o 37.197  3.2136 69.472   11.683  71.600   18.019  67.929   15.345  37.322  5.0186 36.521  4.3420 0.8007050      6.636250  
1 1 1 -8  18  11 o 58.674  14.605 215.848  84.248  215.848  84.248  0.0000   0.0000  58.674  14.605 ?       ?      0.000000       14.60470  
1 1 1 -8  18  12 o 45.897  10.974 122.939  49.042  122.939  49.042  0.0000   0.0000  45.897  10.974 ?       ?      0.000000       10.97418  
1 1 1 -8  18  13 o 83.131  1.7592 342.466  14.435  330.381  20.610  354.103  20.224  81.463  2.5632 84.374  2.4284 -2.911484      3.530859  
1 1 1 -8  18  14 o 70.213  1.5593 244.154  10.806  228.308  15.010  261.206  15.570  67.770  2.2439 72.504  2.1758 -4.734077      3.125525  
1 1 1 -8  18  15 o 13.654  5.2589 6.7179   10.005  5.7053   13.430  7.9807   14.998  14.718  5.9564 15.946  6.3490 -1.227788      8.705706  
1 1 1 -8  18  16 o ?       ?      -6.7057  1.4033  8.3066   25.195  -6.7524  1.4055  19.134  7.9924 ?       ?      0.000000       7.992439  
1 1 1 -8  18  17 o 24.581  8.1693 33.213   23.162  33.963   33.899  32.557   31.722  25.729  9.7350 25.194  9.4419 0.5349808      13.56168  
1 1 1 -8  19  1  o 40.182  2.6944 80.631   10.625  90.199   13.668  66.025   16.888  42.392  3.2925 35.829  4.9042 6.563110       5.906904  
1 1 1 -8  19  2  o 73.818  1.5812 269.596  11.521  277.840  16.817  262.307  15.814  74.838  2.2767 72.728  2.2030 2.110062       3.168014  
1 1 1 -8  19  3  o 51.828  1.3390 132.798  6.8496  141.476  9.7055  124.186  9.6682  53.453  1.8396 50.069  1.9563 3.383423       2.685363  
1 1 1 -8  19  4  o 55.659  2.0502 153.516  11.263  149.265  15.803  157.906  16.058  54.689  2.9384 56.262  2.9015 -1.572571      4.129477  
1 1 1 -8  19  5  o 112.032 1.8576 621.523  20.542  647.965  28.923  594.611  29.179  114.215 2.5656 109.373 2.7029 4.841911       3.726661  
1 1 1 -8  19  6  o 17.697  1.5963 15.621   2.7582  17.128   13.598  15.556   2.8168  18.710  6.2604 17.655  1.6349 1.054462       6.470397  
1 1 1 -8  19  7  o 45.170  3.5247 102.599  15.590  102.947  16.518  99.761   47.193  45.195  3.7363 41.529  11.239 3.666393       11.84400  
1 1 1 -8  19  8  o 17.810  5.3413 16.359   10.135  16.568   15.073  16.187   13.692  18.782  6.5819 18.348  6.2813 0.4344978      9.098119  
1 1 1 -8  19  9  o 41.909  8.1461 95.997   32.483  82.262   45.771  109.935  46.106  37.509  11.374 43.521  10.787 -6.011276      15.67591  
1 1 1 -8  19  10 o 24.360  9.5804 23.693   33.760  0.0000   0.0000  23.693   33.760  ?       ?      24.360  9.5804 0.000000       9.580386  
1 1 1 -8  19  11 o 76.495  2.0588 290.460  15.545  286.024  22.072  294.824  21.896  75.677  2.9549 76.853  2.8864 -1.176216      4.130732  
1 1 1 -8  19  12 o 55.608  1.4220 153.061  7.8050  166.721  10.859  138.465  11.225  57.969  1.8979 52.789  2.1544 5.180374       2.871171  
1 1 1 -8  19  13 f 16.510  1.1949 13.553   1.9341  15.326   2.6119  11.401   2.8779  17.525  1.5252 15.024  1.9896 2.500269       2.506931  
1 1 1 -8  19  14 o 26.976  0.8775 35.960   2.3366  30.192   3.2524  42.113   3.3592  24.661  1.3412 29.179  1.1664 -4.517597      1.777391  
1 1 1 -8  19  15 o 56.787  2.4286 160.815  13.612  158.401  17.810  164.206  21.110  56.047  3.2331 56.847  3.7838 -0.8001823     4.976961  
1 1 1 -8  19  16 o 50.218  1.4270 124.959  7.0732  116.304  9.8652  134.116  10.147  48.342  2.0675 51.930  1.9796 -3.588001      2.862429  
1 1 1 -8  20  1  o 25.700  1.0726 32.645   2.7207  34.318   3.8953  31.050   3.8017  26.288  1.5075 24.996  1.5485 1.291927       2.161148  
1 1 1 -8  20  2  o 40.157  1.2426 79.745   4.9252  81.365   6.9728  78.131   6.9578  40.524  1.7433 39.708  1.7753 0.8164825      2.488086  
1 1 1 -8  20  3  o 51.191  1.6466 129.782  8.3200  132.563  9.7679  122.432  15.880  51.705  1.9140 49.362  3.2780 2.343327       3.795882  
1 1 1 -8  20  4  o 39.929  1.2092 78.830   4.7656  83.349   6.7338  74.295   6.7454  41.023  1.6630 38.722  1.7649 2.300865       2.424977  
1 1 1 -8  20  5  o 39.339  2.9216 77.638   11.264  87.004   16.571  69.595   15.356  41.342  4.1157 36.879  4.2994 4.462673       5.951775  
1 1 1 -8  20  6  o 29.397  1.1879 42.729   3.4469  43.484   4.9328  42.009   4.8186  29.578  1.6967 29.072  1.6865 0.5064564      2.392269  
1 1 1 -8  20  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  20  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -8  20  9  o 85.594  2.0386 363.801  17.223  368.894  24.867  359.105  23.878  85.909  2.9326 84.790  2.8531 1.118835       4.091470  
1 1 1 -8  20  10 o 41.449  1.6745 85.157   6.8504  83.670   16.010  85.490   7.5794  40.470  4.0627 41.510  1.8499 -1.039612      4.464087  
1 1 1 -8  20  11 o 38.418  1.1367 72.995   4.3105  86.000   6.1251  60.235   6.0671  41.669  1.4892 34.802  1.7721 6.866596       2.314754  
1 1 1 -8  20  12 o 48.849  1.8363 118.441  8.8537  113.109  9.4888  154.324  24.614  47.709  2.0150 54.772  4.5954 -7.063175      5.017784  
1 1 1 -8  20  13 o 33.789  4.0075 58.706   13.105  63.581   16.319  49.851   21.992  34.862  4.8758 29.766  7.4911 5.096420       8.938137  
1 1 1 -8  20  14 o 18.919  1.6912 17.901   3.1248  18.671   19.570  17.881   3.1654  19.981  7.4302 18.904  1.7151 1.076771       7.625594  
1 1 1 -8  20  15 o 41.957  14.404 135.120  72.012  135.120  72.012  0.0000   0.0000  41.957  14.404 ?       ?      0.000000       14.40400  
1 1 1 -8  21  1  o 64.636  1.5363 206.936  9.8015  217.927  13.681  195.346  14.049  66.228  2.0929 62.666  2.2713 3.562344       3.088553  
1 1 1 -8  21  2  o 41.752  1.2904 86.250   5.3177  86.596   5.6577  83.626   15.574  41.829  1.3704 40.506  3.9454 1.322647       4.176581  
1 1 1 -8  21  3  o 41.994  2.6572 88.316   10.957  95.597   15.883  81.705   15.135  43.396  3.7449 40.054  3.8768 3.341236       5.390119  
1 1 1 -8  21  4  o 18.347  7.4025 10.371   20.673  12.127   29.474  8.6710   29.003  21.022  8.7012 20.288  8.5312 0.7347164      12.18576  
1 1 1 -8  21  5  o 89.116  6.7000 421.536  58.502  428.951  83.322  414.326  82.160  86.413  9.9507 84.859  10.001 1.553780       14.10813  
1 1 1 -8  21  6  o 85.633  6.7819 390.550  56.853  365.407  80.291  415.833  80.515  78.907  10.575 85.198  9.7500 -6.290405      14.38389  
1 1 1 -8  21  7  o 23.534  1.1256 27.390   2.6145  41.426   3.7830  14.554   3.6175  28.931  1.3248 16.965  2.2131 11.96609       2.579315  
1 1 1 -8  21  8  o 25.261  1.3345 31.675   3.3157  30.112   4.7800  33.125   4.6032  24.540  1.9906 25.772  1.8213 -1.232052      2.698091  
1 1 1 -8  21  9  f 28.793  1.8586 41.330   5.2540  41.139   5.4274  44.178   20.953  28.716  1.9260 28.080  7.4405 0.6353226      7.685751  
1 1 1 -8  21  10 o 41.062  1.8011 83.702   7.2997  83.855   20.237  83.679   7.8266  39.939  5.2614 41.039  1.9322 -1.099098      5.604999  
1 1 1 -8  21  11 o 38.087  1.3909 71.856   5.2287  74.313   7.3875  69.389   7.4016  38.618  1.9443 37.299  2.0180 1.318604       2.802250  
1 1 1 -8  21  12 o 17.184  6.0306 14.410   12.656  5.1195   16.746  26.784   19.328  15.666  6.5276 22.293  7.4637 -6.626844      9.915469  
1 1 1 -8  21  13 o 40.839  1.3368 82.631   5.3886  93.750   7.6206  71.512   7.6207  43.435  1.7775 37.840  2.0480 5.595890       2.711827  
1 1 1 -8  22  2  o 44.469  7.9576 111.545  33.645  91.787   46.820  132.644  48.382  37.772  11.515 46.271  10.792 -8.498917      15.78133  
1 1 1 -8  22  3  o 20.801  7.7706 20.292   21.453  23.114   28.907  16.832   32.006  22.774  8.8920 22.134  9.1048 0.6408157      12.72656  
1 1 1 -8  22  4  o 51.922  4.5508 139.160  23.087  138.677  25.719  141.165  52.391  51.533  5.1243 47.317  11.361 4.215908       12.46327  
1 1 1 -8  22  5  o 37.377  1.4423 69.218   5.3209  75.044   7.5140  63.358   7.5360  38.803  1.9683 35.610  2.1542 3.193142       2.917983  
1 1 1 -8  22  6  o 8.2970  1.7468 3.5452   1.3853  4.3586   1.8086  2.3904   2.1549  9.1825  2.0476 7.2452  2.4914 1.937259       3.224907  
1 1 1 -8  22  7  o 29.654  1.6478 43.763   4.8040  56.955   14.663  42.177   5.0846  33.003  4.6286 29.090  1.7794 3.912975       4.958834  
1 1 1 -8  22  8  o 31.194  3.4938 49.778   10.573  49.003   15.066  50.529   14.840  30.320  5.2229 30.871  5.0446 -0.5509529     7.261299  
1 1 1 -8  22  9  o 32.110  3.8095 53.102   11.838  57.442   18.103  49.859   15.647  32.563  5.8475 30.485  5.3976 2.077641       7.957852  
1 1 1 -8  22  10 o 12.682  5.1535 4.1413   10.098  1.3700   14.379  6.8382   14.185  13.808  5.9139 15.134  6.1227 -1.325747      8.512439  
1 1 1 -8  22  11 o 41.449  8.7723 102.451  34.770  106.588  49.633  98.464   48.723  39.392  11.822 37.861  11.782 1.530857       16.69011  
1 1 1 -7  -22 1  o 128.421 1.8902 817.037  23.960  793.293  32.633  844.805  35.291  126.319 2.6173 130.308 2.7438 -3.989479      3.791945  
1 1 1 -7  -21 1  o 50.673  6.7259 133.788  32.809  153.541  47.214  115.341  45.626  53.148  9.3410 45.439  10.398 7.709808       13.97761  
1 1 1 -7  -21 2  o 41.318  1.7264 84.490   7.0409  89.337   8.6662  75.077   12.077  42.461  2.0678 38.691  3.1908 3.770523       3.802202  
1 1 1 -7  -20 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -20 2  o 110.008 1.6021 598.474  17.396  603.996  23.988  592.348  25.264  110.413 2.2011 109.316 2.3415 1.097778       3.213591  
1 1 1 -7  -20 3  o 80.313  1.3254 318.798  10.507  305.673  13.902  336.279  16.045  78.594  1.7921 82.412  1.9724 -3.817268      2.664998  
1 1 1 -7  -20 4  f 102.148 1.4362 515.934  14.480  518.252  19.871  513.310  21.144  102.292 1.9681 101.777 2.1048 0.5149612      2.881583  
1 1 1 -7  -19 1  o 73.355  1.3656 265.847  9.8876  239.878  13.397  296.912  14.653  69.641  1.9491 77.481  1.9160 -7.840736      2.733141  
1 1 1 -7  -19 2  o 103.463 1.5177 529.106  15.499  557.078  21.425  498.399  22.448  106.095 2.0459 100.320 2.2670 5.775101       3.053674  
1 1 1 -7  -19 3  o 132.081 1.7420 862.881  22.711  907.163  31.785  816.691  32.462  135.298 2.3801 128.331 2.5628 6.966187       3.497503  
1 1 1 -7  -19 4  o 85.819  1.2623 363.911  10.692  359.715  14.483  368.938  15.851  85.278  1.7206 86.348  1.8598 -1.069847      2.533697  
1 1 1 -7  -19 5  o 9.1131  3.2064 3.6296   3.5789  3.1141   4.5320  4.4839   5.8338  9.3751  3.5565 10.857  4.0529 -1.482153      5.392141  
1 1 1 -7  -18 1  o 53.173  1.2671 139.634  6.6500  112.010  8.9541  173.612  9.9306  47.603  1.9057 59.274  1.6974 -11.67137      2.552002  
1 1 1 -7  -18 2  o 46.587  1.2182 107.190  5.6018  93.728   7.2397  127.275  8.8431  43.548  1.6843 50.743  1.7656 -7.195004      2.440114  
1 1 1 -7  -18 3  f 39.796  1.1352 78.222   4.4592  73.530   5.6200  86.195   7.3264  38.574  1.4761 41.752  1.7778 -3.177910      2.310686  
1 1 1 -7  -18 4  o 86.999  1.2646 373.938  10.859  399.874  15.019  345.521  15.721  89.928  1.6920 83.571  1.9058 6.356300       2.548526  
1 1 1 -7  -18 5  o 38.869  0.8266 74.598   3.1712  69.620   3.3912  109.275  8.9501  37.548  0.9150 46.994  1.9295 -9.445583      2.135512  
1 1 1 -7  -18 6  o 40.058  6.8064 84.020   25.948  87.449   36.880  80.659   36.516  40.002  9.4848 38.364  9.6516 1.637833       13.53201  
1 1 1 -7  -17 1  o 103.947 1.4667 533.627  15.048  521.622  20.777  546.874  21.824  102.737 2.0489 105.190 2.1020 -2.453598      2.935356  
1 1 1 -7  -17 2  o 106.853 1.4051 563.895  14.819  545.889  20.556  583.382  21.384  105.094 1.9816 108.642 1.9942 -3.548088      2.811329  
1 1 1 -7  -17 3  o 57.953  1.0263 165.830  5.8707  159.298  7.7690  174.525  8.9635  56.789  1.3860 59.436  1.5279 -2.646889      2.062881  
1 1 1 -7  -17 4  o 76.840  2.1545 292.116  16.340  361.738  67.233  287.746  16.845  83.746  8.2403 76.256  2.2381 7.490723       8.538862  
1 1 1 -7  -17 5  o 76.889  1.0307 291.958  7.8226  266.134  10.537  323.664  11.676  73.386  1.4547 80.930  1.4616 -7.543625      2.062190  
1 1 1 -7  -17 6  o 105.752 6.4003 568.744  66.493  563.989  94.152  573.477  93.918  103.635 9.3034 104.583 9.1914 -0.9482040     13.07803  
1 1 1 -7  -17 7  f 180.571 7.0462 1666.19  125.584 1651.06  177.646 1681.31  177.559 176.173 10.260 177.917 10.153 -1.743896      14.43473  
1 1 1 -7  -16 1  o 206.142 2.6251 2101.11  53.413  2021.69  75.229  2181.85  75.850  202.007 3.7730 209.879 3.6614 -7.872452      5.257517  
1 1 1 -7  -16 2  o 106.547 1.4469 560.597  15.216  582.942  21.635  538.725  21.405  108.617 2.0180 104.413 2.0769 4.204323       2.895856  
1 1 1 -7  -16 3  o 99.970  1.3467 493.530  13.288  513.449  18.727  473.332  18.858  101.939 1.8612 97.870  1.9521 4.069130       2.697196  
1 1 1 -7  -16 4  o 112.760 6.3605 639.675  70.502  680.917  99.839  598.652  99.573  115.350 8.8362 107.841 9.4499 7.508568       12.93747  
1 1 1 -7  -16 5  f 74.095  0.9771 271.071  7.1460  257.676  9.7462  286.643  10.509  72.225  1.3671 76.175  1.3977 -3.950012      1.955148  
1 1 1 -7  -16 6  o 123.561 6.4686 773.555  78.616  788.649  111.404 758.583  110.958 123.131 9.2337 120.645 9.3919 2.486626       13.17073  
1 1 1 -7  -16 7  o 62.396  6.4020 198.932  38.870  194.617  55.105  203.205  54.836  60.494  9.5453 61.970  9.2481 -1.476097      13.29063  
1 1 1 -7  -16 8  o 33.777  7.1877 60.305   23.227  65.244   33.001  55.457   32.698  34.739  9.3972 32.216  9.5786 2.523014       13.41855  
1 1 1 -7  -15 1  f 88.522  1.2412 386.866  10.845  382.014  15.039  392.123  15.653  87.949  1.7324 89.104  1.7798 -1.154259      2.483720  
1 1 1 -7  -15 2  o 81.245  1.1438 325.870  9.1721  301.074  12.708  352.832  13.252  78.080  1.6489 84.527  1.5883 -6.447395      2.289505  
1 1 1 -7  -15 3  o 68.406  1.0220 231.003  6.9003  240.970  9.9714  221.844  9.5585  69.856  1.4462 67.027  1.4448 2.829605       2.044223  
1 1 1 -7  -15 4  f 174.169 6.8144 1518.65  117.148 1497.89  165.662 1539.43  165.681 171.407 9.8329 173.852 9.6938 -2.444794      13.80782  
1 1 1 -7  -15 5  o 92.556  1.2883 423.044  11.769  424.892  14.473  419.437  20.220  92.744  1.5811 92.105  2.2242 0.6391830      2.728879  
1 1 1 -7  -15 6  o 114.646 7.4010 667.362  83.303  647.694  101.819 707.179  144.871 112.043 9.2907 114.804 13.015 -2.761200      15.99059  
1 1 1 -7  -15 7  o 61.232  6.3030 190.889  37.550  197.483  53.330  184.406  52.881  61.325  9.0853 59.109  9.3769 2.215706       13.05641  
1 1 1 -7  -15 8  o 24.795  6.9887 32.093   17.839  44.858   25.442  19.747   25.020  29.174  8.3879 22.302  8.3800 6.871630       11.85672  
1 1 1 -7  -15 9  o 78.349  6.2984 312.534  48.296  337.577  68.576  287.891  68.028  80.321  8.7936 73.725  9.5745 6.595734       12.99994  
1 1 1 -7  -14 1  f 91.816  1.2123 416.179  10.987  399.973  15.243  433.700  15.850  89.996  1.7160 93.714  1.7135 -3.717743      2.425032  
1 1 1 -7  -14 2  o 73.331  1.0714 265.453  7.7550  270.645  10.724  259.762  11.228  74.036  1.4675 72.530  1.5684 1.506302       2.147865  
1 1 1 -7  -14 3  f 158.411 2.1017 1239.72  32.862  1259.88  46.387  1219.41  46.561  159.614 2.9444 157.023 3.0042 2.590927       4.206475  
1 1 1 -7  -14 4  o 81.834  6.1891 335.562  49.622  308.851  70.161  362.296  70.190  77.733  9.3309 84.495  8.5330 -6.761932      12.64427  
1 1 1 -7  -14 5  o 113.088 1.4263 631.526  15.920  627.027  22.350  636.161  22.683  112.651 2.0101 113.468 2.0253 -0.8166122     2.853463  
1 1 1 -7  -14 6  o 87.292  6.1927 382.948  53.010  355.284  74.786  410.883  75.151  83.136  9.2718 89.712  8.5920 -6.576477      12.64070  
1 1 1 -7  -14 7  o 30.944  8.6556 50.217   27.473  32.987   37.490  70.201   40.375  27.925  10.304 36.413  10.595 -8.487312      14.77903  
1 1 1 -7  -14 8  o 123.815 6.4532 774.963  78.592  766.379  111.122 783.555  111.169 121.573 9.3316 123.002 9.2239 -1.428474      13.12092  
1 1 1 -7  -14 9  o 93.662  6.3229 444.693  58.111  418.211  82.114  471.262  82.250  89.382  9.4509 95.257  8.8491 -5.875412      12.94701  
1 1 1 -7  -14 10 o 47.807  6.5451 117.769  30.073  113.863  42.672  121.625  42.389  45.932  9.7157 47.641  9.3484 -1.709412      13.48283  
1 1 1 -7  -13 1  o 166.484 2.0995 1369.08  34.500  1390.86  48.740  1347.22  48.842  167.731 2.9440 165.073 2.9977 2.657532       4.201565  
1 1 1 -7  -13 2  o 190.963 2.6629 1802.32  50.193  1859.01  84.069  1770.92  62.569  193.700 4.3972 189.212 3.3502 4.487762       5.528038  
1 1 1 -7  -13 3  o 65.835  0.9639 213.946  6.2634  245.420  9.0010  184.399  8.7213  70.506  1.2934 61.113  1.4458 9.393341       1.939923  
1 1 1 -7  -13 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -13 5  f 85.021  1.0959 356.850  9.1970  352.799  12.884  361.058  13.132  84.525  1.5444 85.509  1.5559 -0.9832764     2.192243  
1 1 1 -7  -13 6  o 49.414  6.3164 123.744  30.102  136.396  42.657  111.193  42.486  51.364  8.7260 46.061  9.6538 5.303593       13.01301  
1 1 1 -7  -13 7  o 40.744  6.4555 85.029   25.096  64.742   35.138  106.153  35.855  35.125  9.7761 45.178  8.3482 -10.05296      12.85553  
1 1 1 -7  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -13 9  o 18.658  6.4494 15.967   14.449  23.592   21.299  9.4667   19.667  22.561  7.8285 18.332  7.2795 4.229214       10.69005  
1 1 1 -7  -13 10 o 68.769  6.3458 240.483  42.588  246.388  60.521  234.690  59.940  68.555  9.1740 66.810  9.3452 1.744843       13.09566  
1 1 1 -7  -13 11 o 43.479  6.4836 97.624   26.974  100.141  38.628  95.228   37.683  43.155  9.3397 42.069  9.3205 1.085812       13.19479  
1 1 1 -7  -12 1  o 93.752  1.2741 433.904  11.790  396.636  16.426  473.509  16.933  89.620  1.8569 97.924  1.7519 -8.303833      2.552923  
1 1 1 -7  -12 2  o 113.909 1.4788 640.617  16.627  676.182  23.598  605.557  23.430  117.006 2.0433 110.723 2.1439 6.283348       2.961665  
1 1 1 -7  -12 3  o 68.068  1.2920 228.737  8.6803  159.506  54.224  230.558  8.7937  55.441  10.288 68.339  1.3037 -12.89766      10.36992  
1 1 1 -7  -12 4  o 159.905 6.6078 1273.05  104.292 1205.17  147.368 1341.17  147.616 154.514 9.7122 163.212 9.2007 -8.698761      13.37833  
1 1 1 -7  -12 5  o 51.836  0.7584 132.623  3.8801  123.126  5.1601  144.979  5.8858  49.943  1.0468 54.193  1.1003 -4.250450      1.518721  
1 1 1 -7  -12 6  o 130.942 2.2405 847.163  28.957  856.758  40.852  837.473  41.052  131.607 3.1449 130.112 3.1966 1.494553       4.484232  
1 1 1 -7  -12 7  o 140.915 6.5000 991.125  90.408  960.266  127.697 1022.14  128.015 137.541 9.4638 142.037 9.1803 -4.495697      13.18488  
1 1 1 -7  -12 8  o 43.432  6.4401 96.330   26.771  83.673   37.774  109.103  37.947  39.790  9.7048 45.732  8.7250 -5.942005      13.05025  
1 1 1 -7  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -12 10 f 136.513 6.5272 939.380  87.950  929.076  124.414 949.672  124.346 133.934 9.4724 135.494 9.3550 -1.560684      13.31323  
1 1 1 -7  -12 11 o 52.748  6.4353 142.332  32.810  123.111  46.285  161.746  46.518  47.828  10.120 55.503  8.7836 -7.674438      13.40038  
1 1 1 -7  -12 12 o 70.175  6.3083 250.831  43.228  233.395  61.560  267.792  60.716  66.307  9.6921 71.527  8.7847 -5.219734      13.08084  
1 1 1 -7  -11 1  o 140.948 1.8754 981.013  26.090  963.950  36.769  998.316  37.027  139.676 2.6670 142.146 2.6391 -2.469711      3.752033  
1 1 1 -7  -11 2  o 93.985  1.1503 436.040  10.671  453.727  15.143  418.594  15.040  95.862  1.6004 92.075  1.6549 3.787613       2.302202  
1 1 1 -7  -11 3  o 50.891  0.8582 127.832  4.3107  135.537  6.1423  120.353  6.0512  52.399  1.1876 49.376  1.2416 3.022770       1.718160  
1 1 1 -7  -11 4  o 101.711 6.1974 516.120  61.920  526.775  87.648  505.504  87.489  102.214 8.7726 100.071 8.9521 2.143135       12.53387  
1 1 1 -7  -11 5  o 85.476  1.0823 360.657  9.1311  343.668  12.773  378.414  13.058  83.429  1.5511 87.546  1.5112 -4.116989      2.165553  
1 1 1 -7  -11 6  o 114.474 1.4268 646.996  16.121  660.639  22.744  633.221  22.854  115.652 1.9924 113.224 2.0449 2.427895       2.855104  
1 1 1 -7  -11 7  o 51.213  6.3207 132.538  31.273  138.255  44.152  126.783  44.302  51.753  8.9682 49.406  9.4286 2.346767       13.01257  
1 1 1 -7  -11 8  o 82.899  6.2407 344.550  50.689  341.528  72.456  347.447  70.938  81.812  9.1284 82.610  8.8369 -0.7980042     12.70507  
1 1 1 -7  -11 9  o 74.352  6.1680 278.098  44.857  270.485  63.518  285.673  63.356  72.530  9.0708 74.664  8.7636 -2.133591      12.61274  
1 1 1 -7  -11 10 o 20.490  6.5450 20.690   14.945  18.599   21.258  22.733   21.014  21.212  7.7694 22.313  7.7741 -1.101320      10.99091  
1 1 1 -7  -11 11 o 56.040  6.3234 159.963  34.365  168.968  48.640  150.987  48.561  56.769  8.9792 53.396  9.5652 3.373112       13.11940  
1 1 1 -7  -11 12 o 37.561  6.7051 73.312   23.946  56.712   33.702  90.238   34.031  32.756  9.7214 41.228  8.6391 -8.472626      13.00533  
1 1 1 -7  -10 1  o 190.545 2.3497 1793.21  44.192  1794.21  62.441  1792.21  62.553  190.524 3.3204 190.418 3.3282 0.1066284      4.701246  
1 1 1 -7  -10 2  o 172.039 2.2699 1461.86  38.545  1460.25  54.425  1463.49  54.598  171.875 3.2081 172.064 3.2148 -0.1896210     4.541679  
1 1 1 -7  -10 3  o 81.743  1.0523 329.826  8.4900  344.619  12.026  315.128  11.988  83.549  1.4583 79.893  1.5202 3.655998       2.106543  
1 1 1 -7  -10 4  o 226.847 7.3682 2564.09  164.979 2588.45  233.341 2539.74  233.290 226.842 10.422 224.657 10.521 2.184799       14.80858  
1 1 1 -7  -10 5  o 42.097  6.2510 89.963   25.185  82.876   35.545  97.107   35.688  39.891  9.2135 43.319  8.6494 -3.428757      12.63725  
1 1 1 -7  -10 6  o 101.134 1.2779 504.933  12.756  524.913  18.026  484.892  18.053  103.101 1.7714 99.090  1.8458 4.010880       2.558290  
1 1 1 -7  -10 7  o 109.006 1.8176 586.808  19.556  548.923  27.506  625.530  27.808  105.389 2.6442 112.511 2.5040 -7.122154      3.641739  
1 1 1 -7  -10 8  o 43.917  6.2910 97.937   26.491  105.180  37.813  90.955   37.125  45.024  8.8241 41.737  9.2546 3.287735       12.78720  
1 1 1 -7  -10 9  o 88.831  6.2016 395.319  54.033  372.666  76.367  418.028  76.463  85.470  9.1971 90.740  8.6417 -5.269966      12.62004  
1 1 1 -7  -10 10 o 59.452  9.1281 183.143  51.853  191.537  73.194  174.685  73.468  59.633  12.817 56.749  13.341 2.884548       18.50012  
1 1 1 -7  -10 11 o 61.220  6.2964 190.007  37.504  180.353  53.095  199.621  52.984  58.659  9.4948 61.975  8.9184 -3.316196      13.02648  
1 1 1 -7  -10 12 o 36.262  6.7117 68.343   23.137  81.417   32.830  55.441   32.613  39.155  8.7187 32.444  9.5457 6.710938       12.92810  
1 1 1 -7  -10 13 o 63.238  6.3430 203.581  39.059  196.903  54.632  210.562  55.863  61.118  9.3538 63.299  9.2113 -2.181137      13.12791  
1 1 1 -7  -9  1  o 76.463  1.0071 288.571  7.6005  277.679  10.774  299.362  10.724  75.001  1.4553 77.875  1.3951 -2.874008      2.016053  
1 1 1 -7  -9  2  o 175.854 2.1813 1527.16  37.862  1583.60  53.593  1470.92  53.496  179.021 3.0330 172.527 3.1415 6.494614       4.366671  
1 1 1 -7  -9  3  o 273.620 3.3433 3701.15  90.294  3672.40  124.898 3732.62  130.688 272.340 4.6463 274.529 4.8229 -2.188965      6.696958  
1 1 1 -7  -9  4  o 124.744 2.7246 768.921  33.547  555.539  104.004 793.700  35.442  104.728 10.190 126.732 2.8333 -22.00386      10.57688  
1 1 1 -7  -9  5  o 149.773 6.5103 1115.20  96.243  1121.20  136.108 1109.21  136.110 149.339 9.2796 148.520 9.3322 0.8195953      13.16058  
1 1 1 -7  -9  6  o 92.478  6.1764 426.827  56.054  404.585  79.346  448.987  79.199  89.432  9.1161 94.380  8.5959 -4.947998      12.52969  
1 1 1 -7  -9  7  o 84.511  1.0574 352.552  8.8203  341.099  12.331  364.549  12.621  83.118  1.5031 85.928  1.4881 -2.809937      2.115120  
1 1 1 -7  -9  8  f 173.163 2.8994 1482.36  49.555  1511.90  70.049  1452.76  70.114  174.736 4.0615 171.273 4.1475 3.463882       5.804959  
1 1 1 -7  -9  9  o 20.104  6.2955 19.931   13.887  24.233   19.773  15.744   19.508  22.637  7.5490 20.072  7.4275 2.564775       10.59034  
1 1 1 -7  -9  10 o 175.156 6.8750 1534.09  118.859 1517.15  169.211 1550.59  166.996 172.687 9.9698 174.713 9.7224 -2.025665      13.92555  
1 1 1 -7  -9  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -9  12 o 98.363  6.3042 487.901  60.884  470.594  86.060  505.242  86.145  95.435  9.2523 99.074  8.9044 -3.638252      12.84104  
1 1 1 -7  -9  13 o 50.885  6.3936 132.330  31.403  134.036  44.411  130.625  44.409  50.325  9.2828 49.621  9.4116 0.7033501      13.21926  
1 1 1 -7  -9  14 o 36.294  6.9211 68.824   23.889  77.281   34.208  60.772   33.376  37.951  9.2226 33.746  9.5761 4.204285       13.29504  
1 1 1 -7  -8  1  o 55.615  0.9472 152.658  5.1996  159.292  6.4595  140.449  8.7634  56.809  1.1520 53.340  1.6645 3.469227       2.024266  
1 1 1 -7  -8  2  o 235.122 2.8263 2730.68  65.592  2700.13  92.735  2761.27  92.786  233.697 4.0203 236.333 3.9776 -2.635178      5.655472  
1 1 1 -7  -8  3  o 253.658 3.1852 3179.63  79.748  3050.99  112.702 3308.62  112.858 248.295 4.5987 258.593 4.4216 -10.29778      6.379551  
1 1 1 -7  -8  4  o 198.698 2.3466 1950.07  46.023  1995.55  65.135  1904.73  65.038  200.922 3.2844 196.290 3.3569 4.632614       4.696333  
1 1 1 -7  -8  5  o 35.653  6.3437 65.009   21.506  61.617   30.245  68.477   30.585  34.465  8.8461 36.310  8.6561 -1.845062      12.37667  
1 1 1 -7  -8  6  o 56.541  7.1240 161.588  38.875  165.517  67.263  159.617  47.636  56.119  12.467 55.820  8.9484 0.2995567      15.34609  
1 1 1 -7  -8  7  o 140.958 2.2784 981.482  31.700  1003.55  32.846  681.716  121.066 142.530 2.3347 115.888 10.705 26.64201       10.95667  
1 1 1 -7  -8  8  o 170.643 2.1112 1438.29  35.559  1408.50  50.282  1468.09  50.295  168.793 3.0180 172.333 2.9568 -3.539673      4.225051  
1 1 1 -7  -8  9  o 38.168  0.6991 71.903   2.6338  69.456   4.3238  73.347   3.3211  37.510  1.1679 38.548  0.8729 -1.038746      1.458013  
1 1 1 -7  -8  10 o 31.058  6.8265 49.979   20.357  59.942   28.771  39.991   28.806  33.909  8.5873 28.457  9.0864 5.451866       12.50217  
1 1 1 -7  -8  11 o 134.423 6.4387 902.704  85.429  943.877  121.019 861.809  120.610 136.378 9.0417 130.120 9.4555 6.257523       13.08275  
1 1 1 -7  -8  12 o 100.016 6.2818 502.971  61.699  493.387  87.281  512.543  87.230  98.063  9.1220 100.042 8.9277 -1.978851      12.76374  
1 1 1 -7  -8  13 o 166.449 6.7915 1396.90  111.579 1364.62  157.790 1429.19  157.803 162.338 9.8948 166.333 9.6533 -3.994614      13.82364  
1 1 1 -7  -8  14 o 61.810  6.2462 194.156  37.584  208.705  53.321  179.790  52.983  63.261  8.7759 58.361  9.5266 4.900436       12.95268  
1 1 1 -7  -8  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -7  1  o 160.520 1.9735 1272.01  31.268  1319.15  44.269  1225.08  44.170  163.445 2.7441 157.506 2.8412 5.938751       3.949965  
1 1 1 -7  -7  2  o 108.912 1.6791 585.549  18.050  586.877  22.178  582.944  31.065  109.028 2.0608 108.642 2.8970 0.3863831      3.555199  
1 1 1 -7  -7  3  o 125.798 1.5681 781.210  19.471  822.673  27.659  740.475  27.415  129.077 2.1710 122.456 2.2682 6.620941       3.139705  
1 1 1 -7  -7  4  o 129.243 1.9526 824.778  24.908  958.019  43.849  761.302  30.265  139.234 3.1907 124.152 2.4698 15.08214       4.034887  
1 1 1 -7  -7  5  o 104.540 1.2387 539.472  12.781  536.013  21.650  541.323  15.835  104.182 2.1054 104.713 1.5321 -0.5312424     2.603848  
1 1 1 -7  -7  6  o 92.045  6.1176 422.499  55.263  404.505  78.145  440.501  78.163  89.517  8.9647 93.539  8.5608 -4.022324      12.39570  
1 1 1 -7  -7  7  o 101.995 6.1772 518.616  61.895  490.185  87.471  547.126  87.593  98.566  9.0935 104.296 8.5851 -5.729828      12.50579  
1 1 1 -7  -7  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -7  9  o 125.317 1.7871 775.511  22.106  764.782  27.456  795.284  37.272  124.426 2.2356 126.836 2.9772 -2.410469      3.723069  
1 1 1 -7  -7  10 o 109.201 1.3657 588.740  14.720  609.160  20.886  568.585  20.750  111.058 1.9053 107.293 1.9594 3.764771       2.733023  
1 1 1 -7  -7  11 o 150.412 2.1296 1117.80  31.617  1109.87  53.703  1122.00  39.114  149.716 3.6341 150.650 2.6305 -0.9340210     4.486224  
1 1 1 -7  -7  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -7  13 o 54.975  6.3227 153.504  33.684  161.603  47.623  145.396  47.649  55.673  8.9712 52.570  9.5340 3.102428       13.09122  
1 1 1 -7  -7  14 o 17.864  6.2013 14.492   13.366  24.542   19.224  5.0888   18.595  22.481  7.4411 16.906  6.9455 5.575237       10.17889  
1 1 1 -7  -7  15 o 58.031  6.3435 171.648  35.743  160.183  50.568  183.095  50.528  54.913  9.6836 59.080  8.9446 -4.167736      13.18252  
1 1 1 -7  -6  1  o 245.833 2.9529 2984.26  71.650  2874.06  101.252 3094.79  101.406 241.176 4.2534 250.276 4.1050 -9.100082      5.911172  
1 1 1 -7  -6  2  o 114.110 1.5579 642.737  17.547  553.190  29.427  692.146  21.859  105.841 2.8168 118.410 1.8703 -12.56919      3.381146  
1 1 1 -7  -6  3  o 103.092 1.3943 524.606  14.188  504.351  19.761  546.154  20.382  101.073 1.9808 105.179 1.9633 -4.105667      2.788976  
1 1 1 -7  -6  4  o 232.400 2.7962 2667.84  64.140  2598.10  90.668  2737.70  90.748  229.236 4.0072 235.324 3.9069 -6.088165      5.596564  
1 1 1 -7  -6  5  o 129.015 1.5967 821.736  20.333  906.869  28.932  738.651  28.582  135.514 2.1630 122.294 2.3678 13.22018       3.207075  
1 1 1 -7  -6  6  o 166.803 2.0816 1374.03  34.272  1367.91  48.449  1380.17  48.486  166.374 2.9503 167.119 2.9394 -0.7447357     4.164650  
1 1 1 -7  -6  7  o 78.756  1.1909 306.180  9.2579  297.832  16.181  310.242  11.288  77.656  2.1111 79.273  1.4426 -1.616989      2.556918  
1 1 1 -7  -6  8  o 87.464  2.1738 377.847  18.766  339.942  72.762  380.548  19.423  81.918  9.1555 87.774  2.2419 -5.855896      9.425993  
1 1 1 -7  -6  9  o 161.633 13.663 1341.24  215.927 0.0000   0.0000  1341.24  215.927 ?       ?      161.633 13.663 0.000000       13.66255  
1 1 1 -7  -6  10 o 69.170  6.1397 239.688  41.482  238.284  58.649  241.094  58.678  68.413  8.8960 68.833  8.8411 -0.4201431     12.54204  
1 1 1 -7  -6  11 o 116.381 6.3110 676.266  72.224  660.575  102.076 691.996  102.205 114.301 9.1238 117.066 8.9121 -2.765854      12.75420  
1 1 1 -7  -6  12 o 102.988 6.2682 530.946  63.415  523.070  89.666  538.828  89.698  101.448 9.0497 103.021 8.9087 -1.573044      12.69892  
1 1 1 -7  -6  13 o 112.899 1.6575 629.659  18.471  627.635  22.965  633.367  31.086  112.688 2.0647 113.132 2.7838 -0.4440689     3.465923  
1 1 1 -7  -6  14 o 33.027  1.5948 53.893   5.1989  60.021   7.2965  47.573   7.4094  34.773  2.1362 30.910  2.4486 3.862761       3.249494  
1 1 1 -7  -6  15 f 118.779 6.4708 712.933  75.577  708.124  105.925 717.919  107.864 116.971 9.2501 117.717 9.3607 -0.7454300     13.16001  
1 1 1 -7  -6  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  -5  1  o 61.095  1.0195 184.224  6.1482  189.596  7.5863  173.944  10.495  61.978  1.2401 59.362  1.7911 2.616760       2.178524  
1 1 1 -7  -5  2  o 62.460  1.1327 192.550  6.9832  183.516  11.434  197.924  8.8190  60.972  1.8999 63.324  1.4110 -2.351887      2.366534  
1 1 1 -7  -5  3  o 333.377 3.9119 5491.59  128.725 5336.58  182.000 5646.75  182.088 328.430 5.6143 337.862 5.4602 -9.432068      7.831619  
1 1 1 -7  -5  4  o 254.841 3.1192 3208.14  78.459  3197.38  108.698 3219.84  113.366 254.303 4.3305 255.176 4.5010 -0.8730164     6.245967  
1 1 1 -7  -5  5  o 103.029 1.3726 523.990  13.958  554.921  19.871  493.864  19.611  106.016 1.8990 100.011 1.9867 6.004280       2.748271  
1 1 1 -7  -5  6  f 182.042 2.2226 1636.63  39.936  1638.80  56.507  1634.46  56.448  182.100 3.1438 181.859 3.1447 0.2413330      4.446679  
1 1 1 -7  -5  7  o 113.630 1.4638 637.441  16.418  629.702  23.216  645.182  23.220  112.919 2.0830 114.299 2.0582 -1.380463      2.928331  
1 1 1 -7  -5  8  o 184.133 2.2700 1674.71  41.257  1645.09  58.351  1704.32  58.342  182.416 3.2408 185.677 3.1834 -3.260483      4.542758  
1 1 1 -7  -5  9  o 258.031 4.8294 3299.24  122.998 0.0000   0.0000  3299.24  122.998 ?       ?      258.031 4.8294 0.000000       4.829416  
1 1 1 -7  -5  10 o 121.048 1.5110 723.433  18.054  728.057  25.557  718.828  25.507  121.408 2.1327 120.636 2.1421 0.7724304      3.022765  
1 1 1 -7  -5  11 o 81.869  1.0951 330.865  8.8491  332.855  12.537  328.890  12.492  82.105  1.5470 81.614  1.5507 0.4906006      2.190422  
1 1 1 -7  -5  12 o 97.673  1.2932 471.004  12.467  467.203  17.593  474.839  17.669  97.258  1.8327 98.050  1.8257 -0.7919388     2.586895  
1 1 1 -7  -5  13 o 137.842 1.8502 938.690  25.173  949.675  35.642  927.758  35.557  138.576 2.6058 136.965 2.6302 1.611053       3.702451  
1 1 1 -7  -5  14 f 222.247 2.7654 2445.07  60.663  2411.41  85.783  2478.73  85.797  220.367 3.9439 223.440 3.8902 -3.073227      5.539680  
1 1 1 -7  -5  15 o 90.294  2.4760 403.561  22.067  421.427  80.624  402.114  22.943  90.181  9.1859 90.121  2.5793 0.5999756E-01  9.541147  
1 1 1 -7  -5  16 o 27.793  7.2749 40.612   20.190  43.671   28.335  37.457   28.776  29.070  8.9746 27.472  9.1044 1.598301       12.78415  
1 1 1 -7  -4  1  o 104.860 1.4933 542.725  15.456  556.857  20.658  524.756  23.294  106.211 1.9705 103.100 2.2891 3.110947       3.020396  
1 1 1 -7  -4  2  o 91.754  1.2241 415.522  11.086  440.192  15.716  391.092  15.639  94.434  1.6861 89.010  1.7801 5.423393       2.451855  
1 1 1 -7  -4  3  o 136.419 1.7979 918.647  24.208  942.070  30.031  875.182  40.909  138.139 2.2025 133.122 3.1134 5.016678       3.813703  
1 1 1 -7  -4  4  o 300.624 3.4830 4464.71  103.350 4280.96  146.093 4648.79  146.226 294.210 5.0308 306.615 4.8317 -12.40439      6.975249  
1 1 1 -7  -4  5  o 220.297 2.6565 2396.85  57.763  2488.46  81.755  2305.52  81.624  224.391 3.6913 215.974 3.8290 8.416977       5.318526  
1 1 1 -7  -4  6  o 64.874  1.1997 207.744  7.6820  174.092  9.6635  265.521  12.662  59.383  1.6487 73.335  1.7493 -13.95222      2.403797  
1 1 1 -7  -4  7  o 269.075 3.2388 3578.71  86.017  3602.74  121.688 3554.72  121.605 269.768 4.5701 267.959 4.5978 1.808929       6.482708  
1 1 1 -7  -4  8  o 184.984 2.2862 1690.21  41.743  1700.52  59.086  1679.94  58.981  185.469 3.2276 184.342 3.2415 1.126709       4.574367  
1 1 1 -7  -4  9  o 126.952 1.6177 795.751  20.271  785.390  28.669  806.111  28.667  126.094 2.3035 127.748 2.2735 -1.654022      3.236490  
1 1 1 -7  -4  10 o 90.437  6.1577 408.229  54.640  404.494  77.275  411.963  77.269  89.485  8.8656 90.336  8.7767 -0.8504410     12.47514  
1 1 1 -7  -4  11 o 184.709 2.3132 1685.49  42.174  1701.14  59.701  1669.91  59.584  185.469 3.2612 183.756 3.2851 1.712906       4.628987  
1 1 1 -7  -4  12 f 123.620 1.6068 754.617  19.606  792.408  27.859  717.529  27.598  126.645 2.2287 120.507 2.3202 6.137596       3.217198  
1 1 1 -7  -4  13 o 31.809  1.4629 49.963   4.5930  61.139   8.0832  44.634   5.5816  35.093  2.3471 29.999  1.8948 5.093912       3.016473  
1 1 1 -7  -4  14 o 166.563 2.4136 1371.95  39.681  1396.86  49.352  1326.38  66.738  167.980 2.9766 163.455 4.1366 4.525711       5.096197  
1 1 1 -7  -4  15 f 30.630  1.4387 46.344   4.3495  46.893   6.0389  45.752   6.2697  30.732  2.0017 30.345  2.1063 0.3874817      2.905769  
1 1 1 -7  -4  16 o 38.548  1.2627 73.395   4.8043  71.938   6.2930  75.432   7.4384  38.152  1.6711 39.058  1.9294 -0.9063072     2.552528  
1 1 1 -7  -4  17 o 141.132 1.9544 985.157  27.225  989.574  38.328  980.660  38.679  141.296 2.7483 140.650 2.7861 0.6462402      3.913476  
1 1 1 -7  -3  1  o 146.605 2.0743 1060.98  30.017  1085.94  42.542  1036.23  42.359  148.302 2.9062 144.866 2.9624 3.435898       4.149963  
1 1 1 -7  -3  2  f 216.194 2.8022 2307.78  59.797  2382.69  88.791  2245.62  80.891  219.616 4.0961 213.218 3.8436 6.397736       5.617092  
1 1 1 -7  -3  3  o 233.214 2.9226 2685.66  67.276  2629.89  91.161  2752.37  99.695  230.724 4.0030 236.018 4.2795 -5.294098      5.859900  
1 1 1 -7  -3  4  o 207.770 2.8063 2131.70  57.551  2131.88  81.306  2131.52  81.473  207.718 3.9656 207.700 3.9741 0.1792908E-01  5.614277  
1 1 1 -7  -3  5  o 149.480 1.8875 1103.10  27.849  1128.51  39.438  1077.83  39.331  151.168 2.6431 147.733 2.6973 3.435074       3.776423  
1 1 1 -7  -3  6  o 153.149 2.0343 1158.07  30.752  1168.95  43.522  1147.23  43.457  153.830 2.8664 152.393 2.8891 1.437286       4.069792  
1 1 1 -7  -3  7  o 119.379 1.5161 703.558  17.865  679.793  25.218  727.500  25.311  117.326 2.1776 121.375 2.1128 -4.049500      3.034104  
1 1 1 -7  -3  8  f 56.477  0.8428 157.435  4.6982  154.152  6.8523  160.347  6.4540  55.882  1.2423 56.995  1.1473 -1.112930      1.691020  
1 1 1 -7  -3  9  o 134.937 1.7347 899.051  23.105  925.635  32.771  872.777  32.579  136.885 2.4255 132.915 2.4833 3.968964       3.471323  
1 1 1 -7  -3  10 o 169.193 2.2629 1414.04  37.790  1400.20  53.454  1427.87  53.432  168.286 3.2181 169.944 3.1854 -1.657761      4.528047  
1 1 1 -7  -3  11 o 15.325  2.6490 11.938   3.8620  11.110   3.9682  26.796   16.809  14.747  2.8291 23.062  6.8703 -8.315116      7.429996  
1 1 1 -7  -3  12 o 122.459 1.5873 740.473  19.186  731.253  27.100  749.739  27.168  121.662 2.2567 123.191 2.2343 -1.529434      3.175669  
1 1 1 -7  -3  13 o 134.654 1.7384 895.487  23.104  912.728  32.905  878.722  32.449  135.895 2.4532 133.338 2.4655 2.556564       3.478059  
1 1 1 -7  -3  14 o 58.732  1.1008 170.298  6.3813  169.492  9.2616  171.027  8.8046  58.580  1.6018 58.847  1.5158 -0.2671242     2.205320  
1 1 1 -7  -3  15 o 21.241  1.9430 22.487   4.0287  29.198   6.7877  18.837   5.0057  24.109  2.9113 19.323  2.6981 4.785839       3.969342  
1 1 1 -7  -3  16 o 29.356  1.5649 42.702   4.5181  39.195   6.0369  47.167   6.8122  28.063  2.1970 30.794  2.2569 -2.731676      3.149698  
1 1 1 -7  -3  17 o 43.578  1.3604 93.816   5.8516  93.219   7.8499  94.564   8.7786  43.421  1.8316 43.724  2.0341 -0.3030243     2.737182  
1 1 1 -7  -2  1  o 286.874 4.6970 4066.55  132.999 4128.29  146.442 3775.87  317.780 289.009 5.1336 275.545 11.684 13.46378       12.76227  
1 1 1 -7  -2  2  o 226.572 2.9262 2534.75  65.439  2550.87  84.608  2510.74  103.237 227.254 3.7719 225.412 4.6401 1.842453       5.979806  
1 1 1 -7  -2  3  o 219.380 2.6420 2376.31  57.209  2371.57  80.902  2381.05  80.911  219.108 3.7408 219.546 3.7338 -0.4376678     5.285345  
1 1 1 -7  -2  4  o 362.415 4.2163 6490.08  150.824 6312.23  213.258 6668.05  213.337 357.184 6.0489 367.137 5.8871 -9.953430      8.440853  
1 1 1 -7  -2  5  o 92.221  1.2356 419.773  11.247  408.559  17.018  428.470  14.986  90.973  1.8952 93.167  1.6296 -2.194077      2.499511  
1 1 1 -7  -2  6  o 274.605 3.6348 3726.68  98.520  3656.47  139.327 3796.90  139.331 271.811 5.1932 276.996 5.0961 -5.184601      7.275970  
1 1 1 -7  -2  7  o 45.208  1.0078 100.876  4.4971  113.701  5.5539  76.456   7.6635  47.995  1.1724 39.300  1.9820 8.694489       2.302770  
1 1 1 -7  -2  8  o 322.425 3.8377 5141.92  122.134 5105.60  172.753 5178.22  172.694 320.921 5.4537 323.207 5.4133 -2.285156      7.684206  
1 1 1 -7  -2  9  o 167.810 2.0689 1390.74  34.269  1387.45  48.499  1394.02  48.428  167.551 2.9326 167.949 2.9214 -0.3975830     4.139382  
1 1 1 -7  -2  10 o 92.552  1.2477 422.854  11.398  426.068  16.188  419.694  16.051  92.890  1.7656 92.193  1.7639 0.6974182      2.495728  
1 1 1 -7  -2  11 o 170.403 2.1659 1434.27  36.429  1471.51  51.641  1397.38  51.397  172.530 3.0324 168.122 3.0973 4.408463       4.334608  
1 1 1 -7  -2  12 o 96.026  1.2997 455.227  12.318  481.433  17.594  430.026  17.253  98.736  1.8053 93.313  1.8732 5.422615       2.601514  
1 1 1 -7  -2  13 o 184.467 2.3067 1681.36  42.000  1705.15  59.448  1657.65  59.346  185.659 3.2441 183.049 3.2847 2.609650       4.616592  
1 1 1 -7  -2  14 o 76.128  1.2210 286.135  9.1748  296.677  13.244  276.409  12.722  77.501  1.7313 74.807  1.7230 2.693954       2.442560  
1 1 1 -7  -2  15 o 82.022  1.2420 332.209  10.055  321.897  14.134  342.775  14.307  80.716  1.7741 83.294  1.7402 -2.578209      2.485126  
1 1 1 -7  -2  16 o 98.951  1.6483 483.830  16.098  461.040  19.602  531.046  28.214  96.558  2.0567 103.548 2.7605 -6.990150      3.442498  
1 1 1 -7  -2  17 o 63.667  1.7755 200.380  11.157  203.205  11.419  140.872  52.416  64.112  1.8045 51.053  10.742 13.05932       10.89257  
1 1 1 -7  -2  18 o 111.560 7.4153 637.081  81.187  663.420  141.004 624.018  99.299  109.700 13.294 109.302 9.2923 0.3981628      16.21949  
1 1 1 -7  -1  1  o 246.542 3.3018 3001.60  80.349  3064.39  110.863 2932.13  116.615 249.041 4.5101 243.586 4.8503 5.455399       6.623146  
1 1 1 -7  -1  2  o 186.543 3.2422 1718.40  59.697  1681.28  63.165  2028.86  182.666 184.509 3.4684 202.267 9.1495 -17.75867      9.784844  
1 1 1 -7  -1  3  o 312.373 4.1307 4820.65  127.359 4821.80  189.793 4819.70  171.778 312.211 6.1588 312.209 5.5743 0.2471924E-02  8.306846  
1 1 1 -7  -1  4  o 283.498 3.3880 3969.49  94.804  4077.01  134.117 3862.11  134.029 287.208 4.7310 279.525 4.8579 7.683228       6.780953  
1 1 1 -7  -1  5  o 153.827 1.9099 1168.13  28.999  1148.03  40.986  1188.27  41.035  152.475 2.7234 155.126 2.6800 -2.650833      3.820882  
1 1 1 -7  -1  6  o 130.363 1.7435 838.963  22.434  816.701  31.723  861.236  31.731  128.602 2.4992 132.064 2.4343 -3.461945      3.488765  
1 1 1 -7  -1  7  o 105.542 1.3468 549.857  14.030  566.335  19.925  533.654  19.758  107.101 1.8848 103.964 1.9255 3.137062       2.694424  
1 1 1 -7  -1  8  o 333.094 3.9564 5488.07  130.076 5418.48  183.926 5557.71  183.985 330.591 5.6366 334.831 5.5670 -4.239227      7.922321  
1 1 1 -7  -1  9  o 156.645 1.9265 1211.71  29.786  1214.54  42.245  1208.92  42.005  156.780 2.7299 156.417 2.7207 0.3623657      3.854184  
1 1 1 -7  -1  10 o 48.691  0.9809 117.023  4.7144  133.656  6.9365  102.745  6.4268  52.032  1.3506 45.620  1.4273 6.412663       1.965028  
1 1 1 -7  -1  11 o 206.452 2.5438 2105.97  51.837  2148.03  73.385  2064.09  73.231  208.385 3.5679 204.264 3.6322 4.120743       5.091441  
1 1 1 -7  -1  12 o 102.244 2.5593 516.577  25.828  496.428  87.963  518.478  27.019  99.105  9.0937 102.426 2.6726 -3.321503      9.478342  
1 1 1 -7  -1  13 o 166.991 6.7620 1389.83  111.455 1409.07  158.812 1371.17  156.457 167.027 9.6745 164.762 9.6629 2.264435       13.67359  
1 1 1 -7  -1  14 o 51.392  6.2310 133.511  30.961  147.732  44.378  120.025  43.216  53.548  8.6946 47.976  9.4622 5.571877       12.85029  
1 1 1 -7  -1  15 o 49.729  6.5151 125.779  31.210  121.052  44.192  130.482  44.082  47.990  9.6637 49.970  9.2792 -1.980141      13.39741  
1 1 1 -7  -1  16 o 106.428 2.7701 560.868  29.099  524.201  92.280  564.916  30.663  100.761 9.3866 106.793 2.9090 -6.031219      9.827026  
1 1 1 -7  -1  17 o 40.623  1.4810 81.535   5.9381  84.401   8.3976  78.669   8.3979  41.309  2.0596 39.820  2.1446 1.488655       2.973381  
1 1 1 -7  -1  18 o 102.093 1.6056 515.158  16.179  506.675  22.341  524.515  23.462  101.178 2.2371 102.934 2.3093 -1.756042      3.215166  
1 1 1 -7  0   1  o 110.217 1.9327 599.646  21.025  609.083  29.735  590.209  29.734  111.070 2.7123 109.335 2.7553 1.735130       3.866272  
1 1 1 -7  0   2  o 77.761  1.2274 298.444  9.4207  299.914  13.552  297.069  13.105  77.949  1.7614 77.578  1.7114 0.3701782      2.455941  
1 1 1 -7  0   3  o 378.923 4.5722 7095.08  171.005 7081.96  251.986 7106.28  232.823 378.289 6.7487 379.016 6.2235 -0.7276306     9.180245  
1 1 1 -7  0   4  o 228.315 2.9344 2574.05  66.129  2599.89  98.120  2552.55  89.514  229.382 4.3337 227.306 3.9898 2.076523       5.890631  
1 1 1 -7  0   5  f 389.063 4.5058 7481.71  173.031 7212.47  244.655 7751.16  244.751 381.688 6.4940 395.728 6.2661 -14.04001      9.024165  
1 1 1 -7  0   6  o 37.641  1.1498 69.931   4.2719  66.084   6.4685  72.907   5.6890  36.587  1.7912 38.431  1.4998 -1.843979      2.336133  
1 1 1 -7  0   7  o 268.668 3.3382 3566.87  88.524  3539.51  120.234 3599.26  130.817 267.488 4.5540 269.684 4.9144 -2.195862      6.700026  
1 1 1 -7  0   8  o 147.746 1.8585 1077.82  27.102  1102.68  38.418  1053.19  38.239  149.406 2.6052 146.012 2.6533 3.393494       3.718456  
1 1 1 -7  0   9  o 252.334 7.6872 3172.19  191.459 3165.46  270.687 3178.93  270.841 250.863 10.932 251.404 10.915 -0.5404816     15.44788  
1 1 1 -7  0   10 o 129.973 7.3603 844.125  94.035  833.933  115.125 864.557  162.999 128.759 9.1175 129.922 12.880 -1.163162      15.78083  
1 1 1 -7  0   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  0   12 o 77.990  6.1219 304.171  46.747  296.538  66.145  311.788  66.076  76.433  8.9364 78.457  8.6778 -2.024826      12.45647  
1 1 1 -7  0   13 o 138.598 7.5714 962.274  103.186 992.578  183.025 948.154  124.933 138.565 13.556 137.064 9.2896 1.501526       16.43325  
1 1 1 -7  0   14 o 203.204 2.5215 2041.00  50.574  2014.32  71.576  2067.59  71.469  201.710 3.5951 204.369 3.5430 -2.658844      5.047482  
1 1 1 -7  0   15 o 124.337 1.7170 763.653  21.072  775.009  30.221  752.910  29.395  125.199 2.4456 123.404 2.4133 1.794975       3.435827  
1 1 1 -7  0   16 o 136.321 1.8440 918.378  24.812  904.837  35.109  931.888  35.069  135.216 2.6306 137.228 2.5891 -2.012329      3.691042  
1 1 1 -7  0   17 o 29.564  1.9112 43.394   5.5473  40.121   7.6806  46.963   8.0205  28.322  2.7835 30.677  2.6757 -2.355043      3.860931  
1 1 1 -7  0   18 o 67.304  1.3968 223.802  9.2788  236.616  13.006  210.521  13.241  69.171  1.9050 65.234  2.0565 3.936653       2.803234  
1 1 1 -7  0   19 o 46.590  1.8078 107.357  8.3135  113.020  11.950  102.044  11.574  47.685  2.5481 45.297  2.5995 2.388275       3.640069  
1 1 1 -7  1   1  o 346.794 4.3682 5941.88  149.521 5994.81  211.535 5889.03  211.376 348.147 6.1558 345.056 6.2063 3.091522       8.741413  
1 1 1 -7  1   2  o 164.661 2.2781 1338.49  37.025  1392.45  52.503  1285.11  52.221  167.923 3.1677 161.318 3.2797 6.605316       4.559670  
1 1 1 -7  1   3  o 367.363 6.3409 6676.77  229.922 6439.83  476.031 6748.86  262.581 359.247 13.425 369.208 7.2054 -9.961884      15.23628  
1 1 1 -7  1   4  o 194.674 2.8953 1871.42  55.634  1859.79  78.679  1883.06  78.677  194.010 4.1087 195.222 4.0831 -1.211365      5.792475  
1 1 1 -7  1   5  o 435.936 6.0012 9403.68  258.221 9365.22  365.170 9442.15  365.190 434.463 8.5155 436.253 8.4810 -1.790039      12.01835  
1 1 1 -7  1   6  o 203.667 5.6684 2052.99  113.950 1917.04  281.632 2079.60  124.604 194.677 14.767 204.929 6.1602 -10.25227      16.00002  
1 1 1 -7  1   7  o 134.767 6.3550 900.349  84.534  905.897  119.561 894.803  119.539 134.577 9.0535 133.736 9.1101 0.8416595      12.84366  
1 1 1 -7  1   8  o 89.663  6.1047 400.588  53.705  401.639  75.932  399.536  75.969  89.339  8.7221 89.098  8.7514 0.2414474      12.35567  
1 1 1 -7  1   9  o 291.897 8.2742 4250.69  238.391 4253.08  337.844 4248.33  336.431 290.375 11.788 290.236 11.744 0.1393433      16.63927  
1 1 1 -7  1   10 o 204.865 4.2850 2077.90  86.646  2126.37  95.949  1863.69  201.709 207.175 4.6921 192.149 10.678 15.02577       11.66301  
1 1 1 -7  1   11 o 192.337 2.5727 1827.92  48.842  1787.07  69.042  1868.83  69.104  190.055 3.6805 194.364 3.6021 -4.309540      5.149816  
1 1 1 -7  1   12 o 75.300  1.1075 279.893  8.2313  282.323  11.450  277.295  11.841  75.618  1.5341 74.940  1.6009 0.6779938      2.217263  
1 1 1 -7  1   13 o 113.280 1.4323 633.575  16.015  625.087  22.507  642.279  22.792  112.494 2.0270 114.031 2.0250 -1.536644      2.865236  
1 1 1 -7  1   14 o 201.080 3.3708 2000.84  66.901  1987.52  71.033  2105.42  199.062 200.373 3.5916 204.193 9.8768 -3.819366      10.50954  
1 1 1 -7  1   15 o 110.182 1.5946 599.572  17.342  601.617  24.581  597.545  24.469  110.328 2.2572 109.954 2.2546 0.3738098      3.190353  
1 1 1 -7  1   16 o 113.953 1.5946 641.463  17.935  631.337  25.481  651.407  25.250  112.993 2.2847 114.780 2.2288 -1.787422      3.191730  
1 1 1 -7  1   17 o 121.180 1.6964 725.737  20.290  716.590  28.701  734.876  28.688  120.326 2.4166 121.856 2.3852 -1.530106      3.395431  
1 1 1 -7  1   18 o 80.178  1.3998 317.615  11.078  313.611  15.750  321.535  15.584  79.625  2.0040 80.629  1.9582 -1.003937      2.801869  
1 1 1 -7  1   19 o 88.271  1.5288 385.117  13.320  392.011  18.329  377.400  19.390  89.001  2.0864 87.307  2.2501 1.694183       3.068558  
1 1 1 -7  2   1  o 301.661 4.3048 4495.87  128.175 4548.35  181.268 4443.39  181.266 303.255 6.0559 299.728 6.1271 3.527252       8.614849  
1 1 1 -7  2   2  o 254.588 3.3903 3200.94  85.193  3178.30  107.123 3239.92  140.528 253.633 4.2790 255.984 5.5618 -2.350006      7.017412  
1 1 1 -7  2   3  o 228.430 7.2975 2583.82  164.536 2622.31  232.691 2545.34  232.686 229.751 10.261 226.332 10.416 3.419525       14.62110  
1 1 1 -7  2   4  o 51.311  6.0891 132.091  30.237  127.972  42.832  136.184  42.691  50.029  9.0051 51.704  8.6723 -1.675297      12.50205  
1 1 1 -7  2   5  o 369.503 9.3729 6782.05  341.841 6817.71  483.395 6746.38  483.477 369.276 13.262 367.313 13.335 1.963013       18.80748  
1 1 1 -7  2   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  2   7  o 131.024 6.3280 850.971  81.837  860.121  115.827 841.850  115.644 131.132 9.0035 129.708 9.0902 1.423080       12.79430  
1 1 1 -7  2   8  o 196.994 2.7009 1917.06  52.516  1929.04  74.272  1905.09  74.265  197.513 3.8097 196.280 3.8333 1.232391       5.404480  
1 1 1 -7  2   9  o 337.050 3.9853 5620.63  132.582 5505.37  187.591 5735.67  187.408 333.138 5.7050 340.071 5.5832 -6.933136      7.982436  
1 1 1 -7  2   10 o 74.203  1.1694 271.798  8.5649  275.018  12.189  268.658  12.037  74.632  1.6547 73.764  1.6533 0.8680038      2.339114  
1 1 1 -7  2   11 o 136.583 1.9633 921.317  26.468  947.554  35.630  889.011  39.537  138.476 2.6068 134.104 2.9869 4.372452       3.964478  
1 1 1 -7  2   12 f 176.403 2.3482 1537.39  40.885  1504.83  55.334  1576.54  60.675  174.442 3.2137 178.524 3.4434 -4.081635      4.710055  
1 1 1 -7  2   13 o 290.796 3.4974 4184.06  100.386 4206.52  141.844 4161.52  142.090 291.205 4.9349 289.633 4.9703 1.572174       7.004084  
1 1 1 -7  2   14 o 165.558 2.1257 1354.15  34.737  1349.54  49.183  1358.73  49.069  165.187 3.0165 165.751 2.9993 -0.5635834     4.253804  
1 1 1 -7  2   15 o 67.460  1.2895 224.701  8.5864  223.068  12.074  226.371  12.213  67.199  1.8204 67.695  1.8278 -0.4955063     2.579658  
1 1 1 -7  2   16 o 47.798  1.3875 112.831  6.5460  115.573  9.5481  110.399  8.9918  48.357  2.0004 47.265  1.9274 1.092358       2.777870  
1 1 1 -7  2   17 o 62.450  1.3933 192.650  8.5882  204.134  12.296  181.713  12.000  64.257  1.9388 60.621  2.0055 3.635246       2.789416  
1 1 1 -7  2   18 o 34.047  1.9651 57.523   6.5757  62.957   9.5403  52.605   9.0760  35.536  2.7411 32.448  2.8632 3.088211       3.963778  
1 1 1 -7  2   19 o 74.326  1.6878 273.127  12.382  254.408  21.785  282.060  15.049  71.584  3.0833 75.502  2.0193 -3.918602      3.685701  
1 1 1 -7  3   1  o 371.116 9.3655 6833.27  343.064 6940.10  485.194 6726.47  485.136 373.039 13.177 367.192 13.386 5.847198       18.78340  
1 1 1 -7  3   2  o 270.765 7.8401 3632.01  209.531 3649.19  296.358 3614.84  296.285 270.888 11.084 269.601 11.134 1.287231       15.71052  
1 1 1 -7  3   3  o 140.711 6.3782 979.734  88.585  967.612  125.305 991.845  125.250 139.346 9.1616 141.105 9.0405 -1.759201      12.87111  
1 1 1 -7  3   4  o 90.325  6.0024 405.413  53.210  395.320  75.055  415.610  75.446  88.854  8.6684 91.154  8.4828 -2.299828      12.12841  
1 1 1 -7  3   5  o 50.507  6.2729 128.202  30.598  130.612  43.450  125.831  43.097  50.536  9.0428 49.563  9.1465 0.9727554      12.86200  
1 1 1 -7  3   6  o 281.712 4.1503 3922.79  115.402 3950.46  186.425 3905.60  146.941 282.351 6.6893 280.956 5.2987 1.395294       8.533675  
1 1 1 -7  3   7  o 23.940  1.8704 28.469   4.3847  27.438   6.7455  29.224   5.7700  23.377  2.9921 24.202  2.4491 -0.8254318     3.866584  
1 1 1 -7  3   8  o 209.036 2.6906 2158.61  55.514  2242.25  75.345  2059.29  82.107  212.966 3.5844 204.041 4.0769 8.925827       5.428515  
1 1 1 -7  3   9  o 312.668 4.2347 4838.57  130.691 4874.73  176.140 4794.29  194.934 313.472 5.6928 310.677 6.3569 2.795197       8.533375  
1 1 1 -7  3   10 o 93.202  1.3044 428.833  12.000  437.665  16.535  419.004  17.442  94.145  1.7794 92.112  1.9185 2.033112       2.616643  
1 1 1 -7  3   11 o 120.167 1.7806 713.071  21.119  713.359  31.858  712.846  28.207  120.145 2.6864 120.119 2.3791 0.2546692E-01  3.588492  
1 1 1 -7  3   12 o 13.820  3.3802 9.8257   4.5729  10.341   5.9316  9.0703   7.1797  14.269  4.0327 13.839  4.5458 0.4298964      6.076770  
1 1 1 -7  3   13 o 94.588  1.4181 441.735  13.240  435.205  18.704  448.294  18.744  93.865  2.0188 95.268  1.9933 -1.402145      2.837047  
1 1 1 -7  3   14 o 167.389 2.2271 1384.41  36.795  1402.76  49.985  1362.69  54.364  168.413 3.0070 165.952 3.3189 2.461304       4.478497  
1 1 1 -7  3   15 o 130.336 2.6090 839.946  33.563  0.0000   0.0000  839.946  33.563  ?       ?      130.336 2.6090 0.000000       2.608968  
1 1 1 -7  3   16 o 108.771 1.5837 584.409  17.002  570.404  24.075  598.343  24.015  107.410 2.2709 110.014 2.2115 -2.604210      3.169816  
1 1 1 -7  3   17 o 38.363  1.8809 72.752   7.1223  70.423   12.360  73.909   8.7146  37.528  3.3728 38.584  2.2987 -1.055962      4.081645  
1 1 1 -7  3   18 o 18.448  6.5346 15.101   14.889  14.065   20.572  16.241   21.576  19.740  7.5562 20.578  7.7712 -0.8378639     10.83913  
1 1 1 -7  3   19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  4   1  o 130.290 6.0241 839.711  77.471  632.191  109.266 1049.48  109.858 112.395 9.9522 145.352 7.6846 -32.95775      12.57379  
1 1 1 -7  4   2  o 150.154 2.5329 1113.17  37.540  1077.16  53.152  1149.01  53.026  147.672 3.6466 152.522 3.5223 -4.849899      5.069925  
1 1 1 -7  4   3  o 257.187 3.0304 3266.43  76.929  3337.36  108.862 3195.68  108.725 259.886 4.2439 254.304 4.3316 5.582748       6.064056  
1 1 1 -7  4   4  o 138.013 1.6722 940.220  22.779  913.117  32.221  967.304  32.209  135.994 2.4004 139.973 2.3313 -3.978683      3.346155  
1 1 1 -7  4   5  o 163.123 2.2833 1313.76  36.763  1287.19  51.271  1341.87  52.741  161.431 3.2178 164.823 3.2419 -3.391846      4.567671  
1 1 1 -7  4   6  f 353.887 8.4294 6222.85  294.437 6222.85  294.437 0.0000   0.0000  353.887 8.4294 ?       ?      0.000000       8.429377  
1 1 1 -7  4   7  o 160.981 2.0262 1279.56  32.195  1350.57  45.743  1209.86  45.321  165.352 2.8028 156.495 2.9340 8.856949       4.057581  
1 1 1 -7  4   8  o 141.819 2.0195 993.169  28.270  982.035  39.916  1004.37  40.043  140.981 2.8685 142.577 2.8454 -1.595779      4.040370  
1 1 1 -7  4   9  o 115.368 1.6870 657.169  19.210  665.232  27.077  648.998  27.257  116.047 2.3639 114.621 2.4093 1.426788       3.375320  
1 1 1 -7  4   10 o 66.894  1.1500 220.895  7.5934  216.483  10.773  225.252  10.705  66.214  1.6484 67.543  1.6057 -1.328697      2.301169  
1 1 1 -7  4   11 o 70.882  1.4493 248.059  10.140  267.274  18.878  240.268  12.021  73.543  2.6007 69.754  1.7460 3.788956       3.132431  
1 1 1 -7  4   12 o 138.970 2.0120 953.906  27.598  993.800  38.836  913.204  39.227  141.792 2.7749 135.909 2.9242 5.883026       4.031246  
1 1 1 -7  4   13 o 143.575 1.9962 1018.22  28.289  1021.99  38.309  1013.70  41.952  143.789 2.6992 143.181 2.9685 0.6081543      4.012199  
1 1 1 -7  4   14 o 175.516 2.3211 1522.29  40.211  1527.53  54.650  1516.11  59.377  175.721 3.1509 175.024 3.4371 0.6975403      4.662779  
1 1 1 -7  4   15 o 191.510 2.5877 1813.41  48.915  1846.54  70.939  1783.38  67.540  193.061 3.7227 189.752 3.6061 3.308258       5.182913  
1 1 1 -7  4   16 o 78.403  6.4127 309.666  49.192  304.416  69.398  314.968  69.739  76.870  9.3383 78.254  9.2049 -1.384186      13.11233  
1 1 1 -7  4   17 o 211.855 7.3147 2268.66  152.957 2230.53  215.916 2307.06  216.714 207.170 10.595 211.108 10.400 -3.938065      14.84628  
1 1 1 -7  4   18 o 51.562  1.5553 131.393  7.9157  126.363  11.125  136.551  11.265  50.529  2.2307 52.530  2.1726 -2.001373      3.113889  
1 1 1 -7  4   19 o 77.651  1.5676 298.048  12.015  295.782  17.138  300.239  16.850  77.291  2.2464 77.877  2.1921 -0.5861511     3.138712  
1 1 1 -7  4   20 o 37.665  2.1198 70.468   7.8488  76.660   11.376  64.843   10.843  39.175  2.9640 35.992  3.0819 3.183292       4.275888  
1 1 1 -7  5   1  o 268.801 3.8677 3569.52  102.616 3563.75  145.120 3575.30  145.122 268.446 5.4769 268.881 5.4681 -0.4354248     7.739342  
1 1 1 -7  5   2  o 296.649 3.8227 4347.34  111.930 4311.27  158.364 4383.34  158.223 295.266 5.4339 297.729 5.3841 -2.463440      7.649550  
1 1 1 -7  5   3  o 216.845 2.6865 2321.83  57.499  2350.43  81.395  2293.35  81.238  218.120 3.7807 215.453 3.8201 2.666977       5.374616  
1 1 1 -7  5   4  o 210.484 2.6240 2187.64  54.514  2232.53  77.192  2142.97  76.997  212.577 3.6789 208.265 3.7456 4.311829       5.250165  
1 1 1 -7  5   5  o 116.127 1.8789 665.738  21.536  690.424  38.247  654.277  26.061  118.223 3.2776 115.114 2.2936 3.108475       4.000452  
1 1 1 -7  5   6  o 125.045 2.0023 771.995  24.713  791.654  31.826  742.144  39.219  126.610 2.5467 122.562 3.2419 4.048607       4.122622  
1 1 1 -7  5   7  o 37.400  1.4043 69.049   5.1840  70.457   8.0157  68.037   6.7967  37.711  2.1625 37.122  1.8550 0.5896301      2.849085  
1 1 1 -7  5   8  o 92.831  1.3528 425.412  12.395  430.389  17.728  420.652  17.338  93.360  1.9238 92.298  1.9031 1.061592       2.706073  
1 1 1 -7  5   9  o 168.929 2.2571 1409.58  37.635  1452.18  51.682  1361.49  54.913  171.400 3.0549 165.935 3.3528 5.465149       4.535792  
1 1 1 -7  5   10 o 134.015 1.8518 886.939  24.495  885.051  33.445  889.123  35.975  133.834 2.5318 134.129 2.7173 -0.2950745     3.714012  
1 1 1 -7  5   11 o 166.402 2.4936 1368.25  40.955  1364.26  58.155  1372.18  57.687  166.052 3.5482 166.538 3.5094 -0.4860382     4.990576  
1 1 1 -7  5   12 o 54.299  1.1944 145.554  6.4016  144.816  9.1664  146.257  8.9441  54.153  1.7149 54.422  1.6651 -0.2697334     2.390267  
1 1 1 -7  5   13 o 44.407  1.4995 97.370   6.5724  94.919   9.1564  99.975   9.4396  43.833  2.1164 44.985  2.1259 -1.151997      2.999745  
1 1 1 -7  5   14 o 116.242 6.3486 675.435  72.565  711.572  102.798 639.544  102.448 118.625 8.8431 112.273 9.3292 6.351646       12.85437  
1 1 1 -7  5   15 o 138.225 9.3053 970.023  126.216 988.717  178.623 951.382  178.371 137.587 13.320 134.792 13.592 2.794724       19.03080  
1 1 1 -7  5   16 o 95.863  1.7504 454.013  16.562  454.717  29.381  453.685  20.052  95.827  3.1063 95.804  2.1205 0.2274323E-01  3.761057  
1 1 1 -7  5   17 o 27.114  5.0577 37.852   13.038  33.047   14.524  57.800   29.590  25.182  5.9395 33.066  8.8790 -7.883942      10.68238  
1 1 1 -7  5   18 o 182.928 2.4048 1656.98  43.420  1717.73  61.614  1597.05  61.200  185.956 3.3569 179.269 3.4587 6.687180       4.819862  
1 1 1 -7  5   19 o 55.395  1.4070 151.639  7.6928  158.114  9.7529  140.977  12.515  56.545  1.7475 53.347  2.3768 3.197952       2.950032  
1 1 1 -7  5   20 o 62.545  1.6562 193.453  10.224  184.379  14.636  202.101  14.288  60.988  2.4313 63.870  2.2665 -2.882114      3.323907  
1 1 1 -7  6   1  o 303.446 3.9340 4549.52  117.827 4584.52  166.604 4514.49  166.662 304.439 5.5444 302.099 5.5893 2.339783       7.872738  
1 1 1 -7  6   2  f 374.979 5.1591 6953.51  190.947 6958.43  270.050 6948.60  270.030 374.729 7.3012 374.463 7.3058 0.2659302      10.32873  
1 1 1 -7  6   3  o 330.138 4.8498 5389.13  158.033 5357.63  223.449 5420.65  223.538 328.856 6.8840 330.792 6.8464 -1.935150      9.708870  
1 1 1 -7  6   4  o 244.294 3.5987 2948.65  86.775  2951.62  122.714 2945.68  122.723 244.279 5.0895 244.032 5.0950 0.2466583      7.201540  
1 1 1 -7  6   5  o 111.552 1.8594 614.336  20.473  598.257  28.937  630.451  28.969  110.062 2.6637 112.987 2.5976 -2.924500      3.720595  
1 1 1 -7  6   6  o 44.866  1.3872 99.363   6.1433  105.042  9.3469  95.045   8.1511  46.124  2.0531 43.876  1.8822 2.248100       2.785289  
1 1 1 -7  6   7  o 198.521 3.5346 1948.27  69.260  1782.21  192.453 1972.97  74.234  188.386 10.390 199.753 3.7651 -11.36700      11.05138  
1 1 1 -7  6   8  o 21.097  0.7270 21.967   1.5139  19.108   2.1485  24.787   2.1335  19.643  1.1127 22.409  0.9646 -2.766111      1.472550  
1 1 1 -7  6   9  o 61.240  1.1472 185.131  6.9344  187.431  9.6546  182.681  9.9662  61.613  1.5876 60.826  1.6600 0.7870674      2.296950  
1 1 1 -7  6   10 o 287.127 3.7515 4080.07  106.318 4115.43  150.280 4044.65  150.433 287.971 5.2871 285.468 5.3389 2.502899       7.513835  
1 1 1 -7  6   11 f 132.864 1.8584 871.833  24.372  883.362  34.507  860.357  34.426  133.692 2.6150 131.937 2.6436 1.754410       3.718413  
1 1 1 -7  6   12 f 29.922  6.9590 46.431   20.165  39.741   28.337  53.294   28.701  28.350  9.0079 32.080  8.7995 -3.729439      12.59262  
1 1 1 -7  6   13 o 124.006 6.3813 768.148  77.842  768.515  109.846 767.778  110.324 123.279 9.0915 123.205 9.1372 0.7410431E-01  12.88972  
1 1 1 -7  6   14 o 166.878 4.4146 1381.24  72.715  1440.64  161.437 1366.12  81.444  168.551 9.7453 165.851 4.9752 2.700378       10.94182  
1 1 1 -7  6   15 o 55.866  1.2212 154.094  6.7338  149.279  8.4119  162.686  11.236  54.979  1.5501 57.382  1.9838 -2.402943      2.517577  
1 1 1 -7  6   16 o 142.048 2.0131 997.250  28.225  1021.07  41.343  976.455  38.627  143.621 2.9164 140.467 2.7861 3.154373       4.033293  
1 1 1 -7  6   17 o 62.450  1.4145 192.650  8.7190  191.713  11.823  193.767  12.909  62.274  1.9236 62.597  2.0893 -0.3231430     2.839944  
1 1 1 -7  6   18 o 67.468  1.4425 224.923  9.6064  219.680  13.250  230.733  13.948  66.638  2.0145 68.289  2.0693 -1.651230      2.887914  
1 1 1 -7  6   19 o 65.281  1.6499 210.710  10.631  200.440  15.163  220.640  14.910  63.602  2.4154 66.746  2.2632 -3.144260      3.309958  
1 1 1 -7  6   20 o 53.565  1.7940 141.952  9.4853  148.243  13.660  136.094  13.181  54.673  2.5313 52.383  2.5494 2.290016       3.592615  
1 1 1 -7  7   1  o 390.322 6.0064 7542.00  231.405 7625.03  308.045 7434.46  350.579 392.009 7.9613 386.735 9.1841 5.274109       12.15445  
1 1 1 -7  7   2  o 137.225 1.9477 929.646  26.381  915.219  39.477  941.287  35.462  136.127 2.9381 138.064 2.6023 -1.936417      3.924824  
1 1 1 -7  7   3  o 41.244  1.4869 83.966   6.0531  87.379   8.9169  81.050   8.2435  42.013  2.1576 40.464  2.0709 1.549347       2.990623  
1 1 1 -7  7   4  o 86.331  1.4869 367.901  12.670  369.801  18.262  366.138  17.594  86.543  2.1379 86.114  2.0699 0.4284668      2.975731  
1 1 1 -7  7   5  o 331.302 4.2589 5428.21  139.269 5585.98  197.062 5270.79  196.851 335.750 5.9464 326.102 6.1158 9.648071       8.530076  
1 1 1 -7  7   6  o 21.625  1.0299 23.083   2.1983  23.396   3.1419  22.783   3.0770  21.720  1.4743 21.433  1.4632 0.2868385      2.077137  
1 1 1 -7  7   7  o 183.333 2.5554 1660.40  46.241  1680.29  65.408  1640.52  65.381  184.339 3.5948 182.140 3.6367 2.198593       5.113574  
1 1 1 -7  7   8  o 106.891 2.3075 564.400  24.345  643.737  95.633  558.902  25.175  113.169 8.6264 106.365 2.3979 6.803162       8.953499  
1 1 1 -7  7   9  o 71.100  1.2710 249.560  8.9194  249.723  12.485  249.390  12.747  71.112  1.7787 71.064  1.8174 0.4838562E-01  2.542933  
1 1 1 -7  7   10 o 30.520  1.6160 46.125   4.8509  0.0000   0.0000  46.125   4.8509  ?       ?      30.520  1.6160 0.000000       1.616030  
1 1 1 -7  7   11 o 128.432 7.4318 826.642  93.808  862.848  162.816 808.651  114.773 129.283 12.933 126.493 9.2569 2.790352       15.90422  
1 1 1 -7  7   12 o 208.375 7.2035 2168.77  148.157 2077.45  210.333 2258.71  208.729 202.298 10.570 211.484 9.9994 -9.185532      14.55061  
1 1 1 -7  7   13 o 48.684  1.3714 117.023  6.5899  120.065  10.396  114.980  8.5202  49.296  2.1367 48.249  1.7891 1.047077       2.786788  
1 1 1 -7  7   14 o 117.600 1.7084 683.054  19.830  687.017  27.514  678.769  28.606  117.898 2.3643 117.180 2.4733 0.7181168      3.421563  
1 1 1 -7  7   15 o 25.012  2.8742 31.357   6.9668  35.654   9.6123  26.601   10.112  26.559  3.7728 22.732  4.6632 3.827391       5.998246  
1 1 1 -7  7   16 o 35.750  1.3870 63.120   4.8942  60.740   9.7738  63.916   5.6541  34.913  2.8614 35.971  1.5925 -1.057804      3.274695  
1 1 1 -7  7   17 o 51.240  1.6621 129.744  8.4063  129.255  12.005  130.215  11.775  51.108  2.3797 51.301  2.3255 -0.1927414     3.327318  
1 1 1 -7  7   18 o 131.853 3.5391 864.565  46.060  1084.46  126.854 831.172  49.433  144.515 8.9371 129.184 3.8768 15.33083       9.741714  
1 1 1 -7  7   19 o 75.749  1.5610 283.669  11.671  282.494  15.741  285.104  17.394  75.537  2.1112 75.860  2.3230 -0.3226471     3.139039  
1 1 1 -7  7   20 o 65.409  1.6274 211.589  10.507  219.579  15.098  204.085  14.632  66.563  2.2979 64.170  2.3101 2.392921       3.258363  
1 1 1 -7  8   1  o 187.536 2.7199 1737.03  50.346  1751.46  68.703  1720.29  73.992  188.251 3.6975 186.544 4.0185 1.706512       5.460765  
1 1 1 -7  8   2  o 107.714 1.5790 572.750  16.787  593.732  23.578  551.178  23.907  109.656 2.1784 105.650 2.2926 4.005630       3.162517  
1 1 1 -7  8   3  f 141.503 1.9449 988.603  27.164  1045.45  38.246  930.734  38.587  145.488 2.6634 137.265 2.8481 8.222198       3.899365  
1 1 1 -7  8   4  o 365.080 4.2855 6592.63  154.428 6710.54  218.521 6475.00  218.266 367.928 6.0172 361.386 6.1190 6.542389       8.581935  
1 1 1 -7  8   5  o 93.506  1.6403 431.662  15.139  453.167  21.421  410.199  21.400  95.792  2.2655 91.134  2.3790 4.657562       3.285189  
1 1 1 -7  8   6  o 52.259  1.3296 134.815  6.8583  133.790  10.522  135.572  9.0432  52.050  2.0481 52.400  1.7485 -0.3498344     2.692902  
1 1 1 -7  8   7  o 212.739 2.9089 2236.78  61.081  2299.22  86.227  2173.89  86.537  215.542 4.0530 209.566 4.1836 5.976089       5.824867  
1 1 1 -7  8   8  o 234.938 4.0976 2732.71  95.021  2835.10  146.992 2659.21  124.540 238.798 6.2363 231.473 5.4510 7.325302       8.282827  
1 1 1 -7  8   9  o 124.440 6.4786 772.969  79.300  800.676  113.426 746.477  110.910 125.948 9.1874 121.551 9.3153 4.397606       13.08371  
1 1 1 -7  8   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  8   11 o 126.570 1.8529 791.247  23.148  794.522  34.536  788.575  31.193  126.770 2.7601 126.314 2.5019 0.4552841      3.725239  
1 1 1 -7  8   12 o 40.833  1.8851 82.357   7.5974  72.331   10.183  94.943   11.410  38.152  2.7220 43.743  2.6552 -5.590897      3.802545  
1 1 1 -7  8   13 o 241.615 3.1039 2888.29  74.024  2883.27  100.552 2894.23  109.374 241.148 4.2245 241.506 4.5883 -0.3575897     6.236898  
1 1 1 -7  8   14 o 54.426  1.1603 146.246  6.2330  148.780  8.0884  142.541  9.7804  54.889  1.4929 53.717  1.8447 1.172062       2.373115  
1 1 1 -7  8   15 o 79.453  1.5620 311.796  12.250  292.643  17.049  332.237  17.613  76.942  2.2449 81.986  2.1765 -5.043877      3.126753  
1 1 1 -7  8   16 o 86.835  1.5275 372.465  13.092  380.041  18.399  364.695  18.633  87.676  2.1261 85.882  2.1981 1.793694       3.058079  
1 1 1 -7  8   17 o 86.141  1.5653 366.654  13.309  381.651  18.928  351.989  18.717  87.835  2.1833 84.346  2.2482 3.488342       3.133864  
1 1 1 -7  8   18 o 26.340  3.4474 35.075   8.7476  44.621   15.712  30.787   10.531  29.304  5.6368 24.440  4.5324 4.864841       7.232927  
1 1 1 -7  8   19 o 102.368 2.4974 519.602  25.234  519.602  25.234  0.0000   0.0000  102.368 2.4974 ?       ?      0.000000       2.497374  
1 1 1 -7  8   20 o 90.238  6.4967 417.865  57.477  383.331  80.604  453.591  81.984  84.353  9.8675 92.381  9.1097 -8.028336      13.42956  
1 1 1 -7  9   1  o 143.851 1.9862 1021.77  28.201  1041.05  40.062  1002.84  39.704  145.164 2.7960 142.474 2.8233 2.690689       3.973537  
1 1 1 -7  9   2  o 186.062 2.5141 1709.96  46.171  1753.53  65.492  1666.92  65.102  188.340 3.5230 183.624 3.5920 4.716019       5.031273  
1 1 1 -7  9   3  o 133.153 1.8343 875.406  24.107  922.509  33.742  826.292  34.455  136.661 2.5014 129.329 2.6991 7.332306       3.679991  
1 1 1 -7  9   4  o 294.429 3.7202 4287.00  108.112 4451.75  145.834 4085.99  161.090 299.802 4.9282 287.052 5.6856 12.75000       7.524168  
1 1 1 -7  9   5  o 177.027 2.5612 1548.24  44.753  1597.39  61.238  1491.91  65.563  179.737 3.4518 173.664 3.8249 6.073517       5.152156  
1 1 1 -7  9   6  f 134.301 2.3802 891.027  31.552  892.245  44.565  889.804  44.677  134.326 3.3613 134.141 3.3744 0.1849213      4.762822  
1 1 1 -7  9   7  o 136.469 6.4340 926.457  86.666  919.111  122.706 933.769  122.422 135.054 9.2609 136.162 9.1623 -1.107330      13.02741  
1 1 1 -7  9   8  f 83.365  6.2990 347.761  51.448  371.116  72.789  324.446  72.728  85.608  8.7367 79.819  9.4122 5.788918       12.84207  
1 1 1 -7  9   9  f 156.700 2.6796 1213.80  41.445  1218.06  58.613  1209.54  58.611  156.849 3.7860 156.297 3.7993 0.5517883      5.363590  
1 1 1 -7  9   10 o 54.541  1.8474 146.924  9.9454  146.248  10.047  180.031  70.271  54.414  1.8705 58.272  12.586 -3.857632      12.72389  
1 1 1 -7  9   11 o 107.803 1.6547 573.932  17.607  577.374  24.956  570.521  24.843  108.089 2.3391 107.445 2.3426 0.6436005      3.310458  
1 1 1 -7  9   12 f 24.181  1.0822 28.866   2.5831  27.462   3.6483  30.278   3.6577  23.528  1.5801 24.716  1.5065 -1.187605      2.183222  
1 1 1 -7  9   13 o 54.992  1.6519 149.361  8.9667  136.865  12.243  163.821  13.170  52.621  2.3571 57.572  2.3176 -4.950680      3.305611  
1 1 1 -7  9   14 f 78.176  1.4105 301.798  10.884  304.389  15.390  299.206  15.394  78.488  1.9866 77.816  2.0043 0.6719513      2.821996  
1 1 1 -7  9   15 o 141.997 2.1157 996.629  29.652  1000.54  43.148  993.130  40.819  142.153 3.0752 141.648 2.9195 0.5044708      4.240324  
1 1 1 -7  9   16 o 34.893  2.1738 60.440   7.4496  55.051   10.197  66.608   10.910  33.182  3.1513 36.540  3.0529 -3.358025      4.387538  
1 1 1 -7  9   17 o 28.649  2.5733 40.973   7.1989  35.754   9.8216  47.031   10.583  26.540  3.8626 30.562  3.5757 -4.022459      5.263595  
1 1 1 -7  9   18 o 23.309  7.4918 27.359   19.558  17.391   27.193  38.043   28.152  22.226  8.6391 27.393  9.0016 -5.167068      12.47645  
1 1 1 -7  9   19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  9   20 o 46.141  1.6047 105.305  7.3081  110.383  15.445  103.841  8.2954  46.946  3.3554 45.803  1.8349 1.142906       3.824297  
1 1 1 -7  10  1  o 67.379  1.2851 224.113  8.5466  228.593  12.696  220.399  11.558  68.038  1.8905 66.810  1.7527 1.227722       2.577936  
1 1 1 -7  10  2  o 76.528  1.3017 289.110  9.8324  278.559  14.756  297.536  13.186  75.104  1.9905 77.627  1.7210 -2.522675      2.631337  
1 1 1 -7  10  3  f 145.056 2.1536 1039.25  30.834  1069.91  45.210  1012.59  42.162  147.116 3.1134 143.131 2.9844 3.985382       4.312753  
1 1 1 -7  10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  10  5  o 161.256 13.804 1338.37  217.588 1338.37  217.588 0.0000   0.0000  161.256 13.804 ?       ?      0.000000       13.80360  
1 1 1 -7  10  6  o 244.352 10.878 3017.64  262.349 3017.64  262.349 0.0000   0.0000  244.352 10.878 ?       ?      0.000000       10.87754  
1 1 1 -7  10  7  o 98.310  1.5321 477.226  14.867  481.990  20.925  472.369  21.127  98.776  2.1463 97.783  2.1890 0.9928131      3.065650  
1 1 1 -7  10  8  o 93.385  1.5090 430.615  13.909  449.821  19.991  412.592  19.365  95.420  2.1226 91.385  2.1469 4.035088       3.019065  
1 1 1 -7  10  9  o 251.314 3.1032 3124.32  76.976  3168.06  108.834 3080.54  108.886 252.779 4.3620 249.245 4.4260 3.533249       6.214261  
1 1 1 -7  10  10 o 59.459  1.4424 174.568  8.4652  180.808  12.044  168.475  11.901  60.497  2.0169 58.396  2.0647 2.101204       2.886358  
1 1 1 -7  10  11 o 33.582  0.8789 55.667   2.9131  52.928   4.1158  58.417   4.1238  32.741  1.2736 34.398  1.2146 -1.656620      1.759901  
1 1 1 -7  10  12 o 90.545  1.6107 404.896  14.395  422.274  20.178  386.884  20.543  92.438  2.2115 88.471  2.3524 3.966110       3.228749  
1 1 1 -7  10  13 o 65.756  1.3250 213.504  8.5995  212.869  11.736  214.240  12.636  65.644  1.8114 65.850  1.9442 -0.2062073     2.657237  
1 1 1 -7  10  14 o 60.880  1.4100 183.035  8.4726  177.859  12.126  187.971  11.843  59.991  2.0479 61.677  1.9454 -1.686058      2.824581  
1 1 1 -7  10  15 o 71.963  1.4445 255.778  10.260  262.303  15.529  250.722  13.669  72.840  2.1600 71.225  1.9444 1.614349       2.906188  
1 1 1 -7  10  16 o 57.436  1.5651 162.992  8.8726  162.635  10.231  164.077  17.820  57.363  1.8070 57.443  3.1551 -0.8013535E-01 3.635873  
1 1 1 -7  10  17 o 36.624  7.7262 70.863   27.051  80.809   37.698  60.304   38.840  38.668  9.8497 33.797  10.519 4.871780       14.41099  
1 1 1 -7  10  18 o 155.292 3.2875 1199.55  50.390  1224.32  71.240  1174.74  71.284  156.292 4.6180 153.043 4.7190 3.249329       6.602652  
1 1 1 -7  10  19 o 48.570  1.3563 116.604  6.5022  117.665  9.0535  115.474  9.3444  48.755  1.8813 48.293  1.9604 0.4624176      2.717043  
1 1 1 -7  10  20 o 70.829  2.5278 249.063  17.672  294.579  65.065  245.438  18.362  74.026  9.0963 70.291  2.6467 3.735168       9.473481  
1 1 1 -7  11  1  o 34.781  2.0967 59.971   7.1641  65.354   10.847  55.805   9.5415  36.227  3.0621 33.471  2.9172 2.755714       4.229302  
1 1 1 -7  11  2  o 54.678  6.5132 150.871  34.460  150.273  48.931  151.460  48.538  53.924  9.5424 54.170  9.4201 -0.2454071     13.40878  
1 1 1 -7  11  3  o 183.862 10.001 1707.61  180.812 0.0000   0.0000  1707.61  180.812 ?       ?      183.862 10.001 0.000000       10.00089  
1 1 1 -7  11  4  o 162.858 9.6063 1339.07  153.736 0.0000   0.0000  1339.07  153.736 ?       ?      162.858 9.6063 0.000000       9.606332  
1 1 1 -7  11  5  o 178.926 2.5526 1582.27  45.081  1601.18  65.906  1565.64  61.801  179.848 3.7127 177.868 3.5202 1.979462       5.116201  
1 1 1 -7  11  6  o 148.523 2.2790 1089.97  33.410  1143.77  47.738  1038.31  46.775  152.057 3.1807 144.868 3.2712 7.189056       4.562615  
1 1 1 -7  11  7  o 92.351  1.6539 421.192  15.076  412.801  21.324  429.578  21.319  91.395  2.3638 93.236  2.3166 -1.841324      3.309678  
1 1 1 -7  11  8  o 70.283  1.3009 243.887  9.0246  242.264  12.522  245.641  13.018  70.034  1.8115 70.519  1.8702 -0.4844360     2.603690  
1 1 1 -7  11  9  o 212.265 3.0212 2228.97  63.298  2226.72  85.688  2231.67  93.908  211.945 4.0960 212.088 4.4859 -0.1425934     6.074638  
1 1 1 -7  11  10 o 95.712  1.6237 452.429  15.340  460.536  21.436  443.919  21.961  96.534  2.2497 94.770  2.3477 1.763382       3.251621  
1 1 1 -7  11  11 o 89.157  2.0940 392.785  18.427  422.478  79.616  391.105  18.941  91.070  8.9736 88.962  2.1571 2.108170       9.229258  
1 1 1 -7  11  12 o 19.748  3.7543 19.966   7.0504  19.555   9.8624  20.395   10.083  19.474  5.0784 19.877  5.1107 -0.4037189     7.204782  
1 1 1 -7  11  13 o 71.317  1.4418 251.180  10.149  251.187  14.497  251.174  14.213  71.293  2.0601 71.293  2.0199 -0.2288818E-04 2.885093  
1 1 1 -7  11  14 o 84.871  1.7844 355.893  14.948  387.875  25.091  338.294  18.612  88.522  2.8716 82.716  2.2797 5.805847       3.666498  
1 1 1 -7  11  15 o 97.171  7.5605 479.748  71.943  498.622  127.739 470.980  87.064  95.985  13.887 95.558  9.3506 0.4272232      16.74129  
1 1 1 -7  11  16 o 46.158  7.2127 110.294  31.786  100.085  45.529  120.001  44.396  42.971  10.759 47.374  9.8170 -4.403584      14.56460  
1 1 1 -7  11  17 o 23.419  4.6029 28.356   10.260  23.270   12.955  36.916   16.805  21.177  5.9511 26.483  6.4815 -5.305319      8.799161  
1 1 1 -7  11  18 o 37.724  3.0740 71.219   11.347  71.849   14.240  70.122   18.779  37.739  3.8780 36.932  5.3036 0.8063126      6.570165  
1 1 1 -7  11  19 o 57.768  2.2717 165.468  12.953  170.497  17.812  159.825  18.870  58.442  3.0990 56.512  3.3987 1.929653       4.599429  
1 1 1 -7  11  20 o 34.497  3.1637 59.802   10.652  57.109   14.822  62.680   15.319  33.364  4.6254 35.003  4.5409 -1.639091      6.481848  
1 1 1 -7  12  1  o 89.515  9.0290 406.941  78.685  365.907  110.413 449.286  112.163 83.235  13.932 92.949  12.546 -9.713882      18.74851  
1 1 1 -7  12  2  o 48.124  2.2089 114.427  10.492  130.560  16.379  103.200  13.663  51.267  3.2537 45.576  3.0550 5.691139       4.463119  
1 1 1 -7  12  3  o 45.744  1.5688 103.330  7.0831  112.573  10.854  96.474   9.3479  47.729  2.3039 44.189  2.1432 3.540504       3.146663  
1 1 1 -7  12  4  o 114.912 2.0043 652.320  22.733  667.931  32.151  636.714  32.147  116.224 2.8026 113.470 2.8703 2.753822       4.011664  
1 1 1 -7  12  5  o 228.419 3.0307 2580.92  68.330  2543.66  98.852  2615.01  94.558  226.469 4.4223 229.686 4.1709 -3.216675      6.078895  
1 1 1 -7  12  6  f 52.071  1.2433 133.868  6.3901  123.118  9.0158  144.719  9.0583  49.925  1.8296 54.131  1.6954 -4.206169      2.494319  
1 1 1 -7  12  7  o 180.629 2.6494 1613.21  47.236  1633.88  69.830  1595.79  64.137  181.584 3.8961 179.505 3.6199 2.079376       5.318219  
1 1 1 -7  12  8  o 37.871  2.0085 71.057   7.4808  64.008   10.845  77.457   10.333  35.833  3.0965 39.489  2.6667 -3.655064      4.086547  
1 1 1 -7  12  9  o 70.073  1.8349 242.562  12.691  253.970  23.616  237.930  15.048  71.622  3.3407 69.386  2.1972 2.235756       3.998485  
1 1 1 -7  12  10 o 196.907 3.1699 1919.21  61.609  1958.68  75.917  1843.07  105.439 198.777 3.8694 192.371 5.5530 6.406067       6.768144  
1 1 1 -7  12  11 o 85.378  1.5442 360.015  13.013  360.263  18.153  359.753  18.665  85.378  2.1541 85.314  2.2165 0.6397247E-01  3.090831  
1 1 1 -7  12  12 o 58.050  2.9862 167.233  17.052  263.202  58.410  158.292  17.829  71.740  8.4083 56.447  3.2132 15.29313       9.001390  
1 1 1 -7  12  13 o 163.124 2.9756 1317.40  47.910  1346.46  67.274  1287.50  68.245  164.670 4.1391 160.986 4.2948 3.683838       5.964672  
1 1 1 -7  12  14 o 53.797  10.666 153.949  54.635  157.232  79.180  150.964  75.483  53.287  14.615 52.309  14.238 0.9782829      20.40423  
1 1 1 -7  12  15 o 12.410  1.4548 7.7118   1.7481  11.432   2.5043  4.1766   2.4414  15.113  1.7088 9.0794  2.5946 6.033635       3.106773  
1 1 1 -7  12  16 o 10.920  1.3617 5.9827   1.4358  3.8660   2.5565  6.9580   1.7354  8.8228  2.6909 11.767  1.5303 -2.944594      3.095639  
1 1 1 -7  12  17 o 42.693  1.2037 90.046   5.0722  84.064   6.3958  100.185  8.3265  41.235  1.5714 44.999  1.8747 -3.763615      2.446198  
1 1 1 -7  12  18 o 117.384 1.9239 682.232  22.291  640.626  31.563  723.635  31.486  113.539 2.8164 120.721 2.6424 -7.181831      3.861957  
1 1 1 -7  12  19 o 49.562  1.3970 121.462  6.8343  118.983  7.4096  135.590  17.690  49.045  1.5306 51.998  3.4666 -2.953568      3.789446  
1 1 1 -7  12  20 o 27.485  0.9673 37.319   2.6242  33.453   3.2388  44.708   4.4777  26.013  1.2614 30.022  1.5159 -4.009531      1.972118  
1 1 1 -7  13  1  o 80.558  1.3268 320.426  10.550  331.989  15.336  310.037  14.536  81.979  1.8953 79.224  1.8589 2.755264       2.654688  
1 1 1 -7  13  2  o 112.237 2.2477 622.528  24.901  617.017  25.703  706.664  100.430 111.733 2.3306 118.186 8.6697 -6.452911      8.977516  
1 1 1 -7  13  3  o 68.625  1.3809 232.539  9.3534  226.505  13.550  238.032  12.927  67.709  2.0276 69.416  1.8867 -1.706650      2.769591  
1 1 1 -7  13  4  o 12.603  4.3265 7.1720   6.4969  5.3544   9.6598  8.6734   8.7793  13.229  5.1471 14.184  5.0185 -0.9551592     7.188751  
1 1 1 -7  13  5  o 45.747  1.0308 103.314  4.6546  92.878   6.5914  113.695  6.5738  43.367  1.5399 47.985  1.3880 -4.617363      2.073085  
1 1 1 -7  13  6  o 131.586 1.8912 855.388  24.563  849.388  33.740  862.154  35.828  131.063 2.6081 132.030 2.7492 -0.9670715     3.789541  
1 1 1 -7  13  7  o 129.596 2.0042 829.851  25.637  826.775  36.581  832.819  35.939  129.276 2.8668 129.755 2.8061 -0.4782104     4.011616  
1 1 1 -7  13  8  o 51.934  1.6728 133.221  8.5750  126.596  12.565  138.996  11.731  50.599  2.5159 53.030  2.2413 -2.430637      3.369454  
1 1 1 -7  13  9  o 69.047  1.5211 235.455  10.367  225.696  14.931  244.538  14.404  67.573  2.2386 70.344  2.0746 -2.771851      3.052099  
1 1 1 -7  13  10 o 159.246 2.7564 1254.62  43.325  1209.31  72.929  1279.33  53.860  155.968 4.7373 160.704 3.3955 -4.735657      5.828523  
1 1 1 -7  13  11 o 49.675  1.8989 121.930  9.3106  120.930  13.026  122.974  13.313  49.368  2.6832 49.781  2.7198 -0.4130135     3.820595  
1 1 1 -7  13  12 o 141.451 9.5402 1024.61  132.420 1024.61  132.420 0.0000   0.0000  141.451 9.5402 ?       ?      0.000000       9.540246  
1 1 1 -7  13  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  13  14 o 32.950  1.1872 53.615   3.8609  55.244   5.3981  51.909   5.5245  33.437  1.6356 32.363  1.7358 1.073902       2.385000  
1 1 1 -7  13  15 o 83.625  1.6782 345.652  13.852  343.482  18.136  348.691  21.459  83.316  2.2053 83.903  2.5912 -0.5873871     3.402645  
1 1 1 -7  13  16 o 53.525  2.2246 141.852  11.753  141.028  16.792  142.644  16.455  53.179  3.2141 53.498  3.1298 -0.3191261     4.486258  
1 1 1 -7  13  17 o 97.748  1.8215 472.821  17.574  468.487  25.306  476.859  24.424  97.154  2.6389 98.042  2.5240 -0.8880692     3.651620  
1 1 1 -7  13  18 o 68.681  1.7930 233.527  12.155  224.914  15.124  249.237  20.426  67.339  2.2755 70.771  2.9241 -3.432243      3.705150  
1 1 1 -7  13  19 f 34.209  3.2563 58.918   10.863  57.025   14.841  61.102   15.941  33.315  4.6393 34.454  4.8195 -1.139347      6.689626  
1 1 1 -7  13  20 o 42.735  2.8242 91.377   11.845  97.452   16.404  84.757   17.123  43.896  3.8243 40.775  4.3204 3.120819       5.769859  
1 1 1 -7  14  1  o 98.018  1.5277 474.474  14.780  474.587  20.843  474.359  20.963  97.997  2.1549 97.972  2.1678 0.2439880E-01  3.056575  
1 1 1 -7  14  2  o 92.442  1.5448 422.031  14.095  431.962  19.838  411.906  20.031  93.492  2.1497 91.292  2.2230 2.200531       3.092451  
1 1 1 -7  14  3  o 53.809  1.4970 142.987  7.9507  143.406  9.2238  141.775  15.684  53.881  1.7344 53.444  2.9851 0.4371414      3.452362  
1 1 1 -7  14  4  o 108.510 1.7354 581.615  18.587  598.644  26.759  565.739  25.837  110.036 2.4638 106.970 2.4471 3.065483       3.472523  
1 1 1 -7  14  5  o 84.780  1.4744 354.958  12.338  351.129  17.164  359.052  17.747  84.294  2.0630 85.237  2.1094 -0.9430847     2.950463  
1 1 1 -7  14  6  o 114.430 1.7112 646.815  19.327  651.823  27.592  641.991  27.079  114.818 2.4347 113.951 2.4076 0.8669052      3.424100  
1 1 1 -7  14  7  o 59.073  1.4960 172.342  8.7225  171.292  11.764  173.624  12.999  58.875  2.0244 59.266  2.2221 -0.3914986     3.005999  
1 1 1 -7  14  8  o 40.801  1.9886 82.263   8.0082  83.269   11.587  81.344   11.080  40.919  2.8875 40.451  2.7923 0.4680214      4.016822  
1 1 1 -7  14  9  o 99.564  1.7316 489.730  17.017  487.216  24.389  492.116  23.756  99.253  2.4895 99.758  2.4126 -0.5043335     3.466768  
1 1 1 -7  14  10 o 64.652  9.6795 217.443  59.869  0.0000   0.0000  217.443  59.869  ?       ?      64.652  9.6795 0.000000       9.679468  
1 1 1 -7  14  11 o 61.447  9.5504 196.897  56.043  0.0000   0.0000  196.897  56.043  ?       ?      61.447  9.5504 0.000000       9.550439  
1 1 1 -7  14  12 o 102.354 1.8009 517.724  18.194  515.668  25.725  519.781  25.735  102.081 2.5532 102.489 2.5440 -0.4073029     3.604252  
1 1 1 -7  14  13 o 92.212  1.8630 420.311  16.956  415.422  23.114  426.008  24.951  91.609  2.5563 92.750  2.7255 -1.140800      3.736692  
1 1 1 -7  14  14 o 23.907  1.2795 28.312   3.0084  28.312   3.0084  0.0000   0.0000  23.907  1.2795 ?       ?      0.000000       1.279530  
1 1 1 -7  14  15 o 68.918  1.9529 234.979  13.284  241.002  17.667  227.142  20.152  69.735  2.5667 67.646  3.0181 2.088989       3.961945  
1 1 1 -7  14  16 o 56.016  2.0800 155.373  11.500  155.242  15.608  155.528  17.010  55.841  2.8412 55.846  3.0979 -0.5565643E-02 4.203509  
1 1 1 -7  14  17 o 83.700  1.5899 346.570  13.135  342.434  19.373  350.089  17.869  83.080  2.3624 84.041  2.1542 -0.9604568     3.197098  
1 1 1 -7  14  18 o 63.533  1.3680 199.610  8.5788  192.591  10.975  210.635  13.755  62.362  1.7830 65.169  2.1384 -2.807034      2.784168  
1 1 1 -7  14  19 o 62.481  1.9640 193.533  12.112  185.624  13.269  233.053  29.662  61.156  2.1982 67.798  4.4573 -6.641682      4.969914  
1 1 1 -7  14  20 o 66.271  6.7482 231.821  43.526  228.265  61.907  235.296  61.208  63.216  10.274 64.470  9.9381 -1.253616      14.29438  
1 1 1 -7  15  1  o 174.100 2.5777 1499.14  44.295  1494.76  65.970  1502.74  59.773  173.614 3.8497 174.154 3.4773 -0.5400696     5.187683  
1 1 1 -7  15  2  o 108.315 1.8041 579.627  19.288  581.240  28.168  578.204  26.467  108.401 2.6326 108.131 2.4798 0.2695847      3.616631  
1 1 1 -7  15  3  o 86.670  1.4625 370.982  12.511  360.375  17.428  382.261  17.972  85.392  2.0677 87.947  2.0703 -2.554688      2.926018  
1 1 1 -7  15  4  f 73.999  1.4861 270.447  10.855  274.958  15.579  266.191  15.132  74.586  2.1162 73.388  2.0890 1.197281       2.973581  
1 1 1 -7  15  5  o 150.355 2.1579 1117.46  32.024  1130.56  45.153  1104.20  45.426  151.118 3.0272 149.337 3.0818 1.781067       4.319836  
1 1 1 -7  15  6  o 246.422 3.3356 3008.50  81.132  3087.53  115.095 2930.44  114.384 249.170 4.6798 242.711 4.7746 6.459320       6.685637  
1 1 1 -7  15  7  o 67.129  1.5996 222.598  10.599  235.790  15.345  210.562  14.657  69.058  2.2512 65.258  2.2755 3.800079       3.200876  
1 1 1 -7  15  8  o 29.716  8.3988 45.941   25.727  48.322   35.859  43.416   36.932  31.128  10.156 30.138  10.316 0.9897461      14.47652  
1 1 1 -7  15  9  o 94.436  6.5139 449.415  60.346  439.328  85.819  459.281  84.873  92.281  9.5606 94.515  9.2151 -2.233841      13.27864  
1 1 1 -7  15  10 o 17.855  6.7985 11.364   16.598  11.703   22.012  10.917   25.270  19.678  7.7369 20.500  8.2148 -0.8226032     11.28457  
1 1 1 -7  15  11 o 42.684  1.2865 89.980   5.4201  87.404   7.6131  92.629   7.7184  42.052  1.8342 43.292  1.8063 -1.239803      2.574250  
1 1 1 -7  15  12 o 106.099 1.8561 556.477  19.438  522.275  27.483  590.707  27.495  102.690 2.7115 109.233 2.5501 -6.542938      3.722277  
1 1 1 -7  15  13 o 112.274 1.9684 623.422  21.814  584.418  31.250  660.485  30.463  108.568 2.9162 115.461 2.6730 -6.892250      3.955915  
1 1 1 -7  15  14 o 97.936  1.7789 474.311  17.196  454.962  23.987  494.768  24.664  95.817  2.5363 99.927  2.5007 -4.109535      3.561790  
1 1 1 -7  15  15 o 18.988  1.2494 17.892   2.3285  23.205   3.2339  12.172   3.3554  21.611  1.5259 15.514  2.2574 6.096934       2.724744  
1 1 1 -7  15  16 o 61.154  1.4387 184.919  8.6843  184.528  11.966  185.355  12.624  61.037  1.9861 61.162  2.0911 -0.1247063     2.883978  
1 1 1 -7  15  17 o 94.393  1.7966 441.262  16.739  439.953  23.642  442.577  23.702  94.089  2.5457 94.369  2.5446 -0.2804260     3.599437  
1 1 1 -7  15  18 f 51.279  8.5470 143.826  41.737  141.572  71.633  144.984  51.355  47.169  14.212 50.175  10.696 -3.006039      17.78787  
1 1 1 -7  15  19 o 28.725  7.9764 45.534   23.420  21.529   32.366  71.915   33.930  23.643  9.3544 35.489  9.4986 -11.84571      13.33149  
1 1 1 -7  16  1  o 139.916 2.4174 968.270  33.385  968.735  47.215  967.805  47.212  139.795 3.4218 139.727 3.4232 0.6735229E-01  4.840159  
1 1 1 -7  16  2  o 126.872 2.1958 795.835  27.497  823.999  38.890  767.681  38.883  128.988 3.0546 124.486 3.1645 4.501999       4.398294  
1 1 1 -7  16  3  o 62.095  1.2093 190.399  7.4122  204.020  10.310  175.826  10.664  64.264  1.6254 59.651  1.8112 4.612747       2.433549  
1 1 1 -7  16  4  o 61.439  1.8778 186.546  11.388  258.428  59.041  183.768  11.606  70.888  8.6152 60.978  1.9282 9.909710       8.828376  
1 1 1 -7  16  5  o 30.828  0.8108 46.915   2.4672  49.264   3.4987  44.591   3.4798  31.587  1.1222 30.051  1.1732 1.536350       1.623477  
1 1 1 -7  16  6  o 101.452 6.5695 518.742  65.432  500.514  93.835  535.994  91.286  98.411  9.7902 102.153 9.1506 -3.741890      13.40075  
1 1 1 -7  16  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  16  8  o 94.342  2.4312 440.365  22.640  462.576  31.439  416.444  32.628  96.589  3.2977 91.605  3.6086 4.984772       4.888445  
1 1 1 -7  16  9  o 46.227  1.1540 105.523  5.2653  95.958   9.0986  110.339  6.4562  44.052  2.0926 47.263  1.3840 -3.211906      2.508824  
1 1 1 -7  16  10 o 51.795  2.4360 132.775  12.454  128.822  17.091  137.250  18.183  50.834  3.4263 52.462  3.5321 -1.627796      4.920924  
1 1 1 -7  16  11 o 87.174  1.8546 375.716  15.958  350.328  21.826  404.877  23.391  84.101  2.6292 90.413  2.6211 -6.311752      3.712561  
1 1 1 -7  16  12 o 81.930  1.4814 331.699  11.980  320.902  16.933  342.519  16.951  80.531  2.1303 83.206  2.0640 -2.674881      2.966163  
1 1 1 -7  16  13 o 46.123  2.4880 105.725  11.285  101.393  14.949  111.462  17.205  45.029  3.3884 47.162  3.7263 -2.132851      5.036526  
1 1 1 -7  16  14 o 106.938 1.9582 566.062  20.669  524.135  29.642  605.740  28.835  102.713 2.9238 110.487 2.6441 -7.773636      3.942059  
1 1 1 -7  16  15 o 34.102  4.6549 59.550   15.259  0.0000   0.0000  59.550   15.259  ?       ?      34.102  4.6549 0.000000       4.654869  
1 1 1 -7  16  16 o 47.978  1.0259 113.731  4.8582  109.421  6.8688  118.045  6.8721  47.031  1.4797 48.853  1.4252 -1.822308      2.054400  
1 1 1 -7  16  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  16  18 o 26.059  1.1973 33.578   3.0795  24.047   4.2081  44.568   4.5187  21.931  1.9648 29.965  1.5329 -8.034304      2.492044  
1 1 1 -7  16  19 o 38.119  3.2611 73.345   12.152  62.332   16.636  85.945   17.793  34.582  5.0203 40.906  4.4801 -6.324078      6.728713  
1 1 1 -7  17  1  o 155.772 2.2406 1200.28  34.450  1171.25  48.474  1229.91  48.969  153.694 3.1954 157.506 3.1499 -3.812164      4.486890  
1 1 1 -7  17  2  o 118.401 1.8479 692.920  21.596  702.547  30.353  683.050  30.733  119.133 2.5813 117.459 2.6508 1.674362       3.700003  
1 1 1 -7  17  3  o 92.429  2.1871 422.524  19.953  422.173  27.693  422.902  28.775  92.298  3.0398 92.363  3.1563 -0.6464386E-01 4.382090  
1 1 1 -7  17  4  o 89.258  6.6210 403.056  57.916  413.342  81.917  392.777  81.893  89.297  9.4371 86.904  9.7133 2.392998       13.54277  
1 1 1 -7  17  5  o 49.542  7.4830 126.792  35.451  125.031  49.896  128.587  50.378  48.201  10.760 48.902  10.732 -0.7006912     15.19684  
1 1 1 -7  17  6  o 91.466  2.4772 414.075  22.364  433.026  33.994  399.613  29.696  93.372  3.6886 89.747  3.3523 3.624741       4.984304  
1 1 1 -7  17  7  o 133.760 2.0723 884.850  27.360  909.520  39.197  861.409  38.207  135.471 2.9314 131.838 2.9361 3.632568       4.148941  
1 1 1 -7  17  8  o 78.132  1.7006 301.721  13.115  311.391  19.675  293.990  17.593  79.305  2.5135 77.076  2.3125 2.228577       3.415497  
1 1 1 -7  17  9  o 33.727  1.2264 56.184   4.0828  55.025   5.7692  57.346   5.7786  33.317  1.7606 34.017  1.7267 -0.6999931     2.466046  
1 1 1 -7  17  10 o 51.786  2.3425 132.779  11.973  117.141  16.147  151.881  17.846  48.439  3.3988 55.204  3.2901 -6.765068      4.730447  
1 1 1 -7  17  11 o 38.260  2.8572 73.022   10.712  70.107   14.118  76.978   16.446  37.312  3.8907 39.025  4.3432 -1.712997      5.831048  
1 1 1 -7  17  12 o 13.389  1.4190 8.9596   1.8467  11.640   2.5691  6.0936   2.6564  15.243  1.7387 10.871  2.5241 4.372257       3.065013  
1 1 1 -7  17  13 o 83.183  1.7330 342.339  14.228  324.950  19.856  360.694  20.399  80.935  2.4855 85.282  2.4234 -4.346069      3.471404  
1 1 1 -7  17  14 o 40.174  1.2503 79.772   4.9579  71.044   6.9203  88.977   7.1066  37.878  1.8510 42.402  1.6980 -4.523140      2.511852  
1 1 1 -7  17  15 o 50.621  7.4287 136.583  36.013  127.792  51.000  145.326  50.861  46.895  11.177 50.487  10.546 -3.592514      15.36696  
1 1 1 -7  17  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  17  17 o 33.650  1.6529 56.092   5.4898  55.157   5.8623  62.753   15.650  33.310  1.7896 34.858  4.6656 -1.548420      4.997018  
1 1 1 -7  17  18 o 66.954  2.4351 223.210  16.093  220.564  21.381  226.667  24.443  66.323  3.2661 66.984  3.7115 -0.6616135     4.943915  
1 1 1 -7  17  19 o 22.541  9.3112 16.315   33.654  16.315   33.654  0.0000   0.0000  22.541  9.3112 ?       ?      0.000000       9.311231  
1 1 1 -7  18  1  o 44.328  7.5482 102.800  31.843  95.354   44.264  110.787  45.843  41.761  10.692 45.082  10.498 -3.321159      14.98458  
1 1 1 -7  18  2  o 59.434  7.1315 181.802  41.000  173.034  58.184  190.450  57.784  56.532  10.822 59.658  10.178 -3.126633      14.85623  
1 1 1 -7  18  3  o 90.162  6.6326 413.330  58.611  427.535  83.094  399.264  82.684  90.376  9.4550 87.135  9.7828 3.240509       13.60517  
1 1 1 -7  18  4  o 48.637  1.1574 116.834  5.5563  117.374  9.0257  116.504  7.0507  48.719  1.8769 48.557  1.4711 0.1621971      2.384753  
1 1 1 -7  18  5  o 71.992  1.6161 256.168  11.484  268.121  18.775  249.022  14.516  73.566  2.5856 70.946  2.0730 2.619766       3.313982  
1 1 1 -7  18  6  o 100.646 2.4306 501.655  24.146  638.227  93.230  491.836  24.998  111.047 8.5722 99.639  2.5418 11.40771       8.941070  
1 1 1 -7  18  7  o 109.649 1.8692 594.625  20.230  630.393  29.400  562.460  27.879  112.779 2.6411 106.527 2.6515 6.251633       3.742431  
1 1 1 -7  18  8  o 105.599 1.8942 551.607  19.743  565.052  28.697  539.524  27.204  106.747 2.7236 104.322 2.6419 2.424492       3.794474  
1 1 1 -7  18  9  f 2.8391  1.4220 -4.8295  1.6946  -4.9570  1.7021  9.6098   18.110  2.8221  1.4151 17.762  7.0068 -14.93963      7.148283  
1 1 1 -7  18  10 o 90.292  1.7896 403.315  15.949  389.566  22.338  417.613  22.780  88.629  2.5535 91.771  2.5149 -3.141655      3.584010  
1 1 1 -7  18  11 f 44.975  2.3590 100.562  10.436  100.712  14.725  100.410  14.792  44.844  3.3510 44.772  3.3719 0.7173538E-01  4.753824  
1 1 1 -7  18  12 o 7.0196  2.3009 2.3404   1.8397  6.8596   2.5308  -2.7239  2.6791  11.560  2.2990 4.8089  2.2520 6.751182       3.218215  
1 1 1 -7  18  13 o 18.382  6.0538 16.741   12.730  3.1157   17.108  33.642   19.055  15.658  6.5667 25.098  7.2716 -9.439781      9.797790  
1 1 1 -7  18  14 o 21.762  7.9444 21.751   22.200  26.301   31.644  17.341   31.152  24.572  9.3796 22.684  9.1099 1.887905       13.07540  
1 1 1 -7  18  15 o 25.347  4.7236 33.622   11.383  29.879   15.161  38.456   17.232  23.563  6.3677 26.643  6.5894 -3.080730      9.163364  
1 1 1 -7  18  16 o 72.351  1.6105 259.317  11.501  254.198  15.862  264.990  16.700  71.505  2.2475 72.990  2.3180 -1.485153      3.228680  
1 1 1 -7  18  17 o 29.349  1.3100 42.623   3.7949  42.066   3.8144  96.625   37.548  29.155  1.3255 40.791  9.5024 -11.63599      9.594440  
1 1 1 -7  18  18 o 83.196  2.2811 344.693  18.732  319.463  25.834  372.659  27.200  79.711  3.2836 86.132  3.1994 -6.421387      4.584516  
1 1 1 -7  19  1  o 31.976  3.9867 51.884   12.309  54.272   19.030  50.166   16.141  32.146  6.2225 31.076  5.4615 1.070377       8.279378  
1 1 1 -7  19  2  o 15.072  1.6479 11.369   2.4117  8.3826   12.005  11.495   2.4619  15.184  5.7816 15.153  1.6740 0.3086281E-01  6.019068  
1 1 1 -7  19  3  o 111.593 1.8548 616.228  20.430  615.769  28.950  616.683  28.837  111.401 2.6328 111.486 2.6206 -0.8535767E-01 3.714700  
1 1 1 -7  19  4  f 80.988  1.6335 324.369  13.058  328.531  18.240  319.994  18.702  81.429  2.2694 80.351  2.3581 1.077621       3.272761  
1 1 1 -7  19  5  o 65.419  1.6093 211.628  10.391  236.706  13.265  171.790  16.718  69.155  1.9433 58.811  2.8801 10.34327       3.474345  
1 1 1 -7  19  6  o 124.160 2.0254 763.250  24.822  772.947  35.799  754.272  34.446  124.733 2.9078 123.238 2.8318 1.495049       4.058842  
1 1 1 -7  19  7  o 79.720  2.7975 315.648  22.013  417.602  75.273  306.113  23.019  88.948  8.6845 78.475  2.9719 10.47342       9.178934  
1 1 1 -7  19  8  o 44.536  1.1293 97.995   4.9641  102.721  8.2870  95.350   6.1994  45.556  1.8430 43.917  1.4302 1.639511       2.332786  
1 1 1 -7  19  9  f 91.912  1.7773 418.114  16.124  425.612  23.067  410.951  22.547  92.597  2.5238 90.991  2.5104 1.606018       3.559769  
1 1 1 -7  19  10 o 81.320  1.5093 327.094  12.115  308.010  17.122  346.228  17.144  78.813  2.2010 83.581  2.0781 -4.768120      3.027012  
1 1 1 -7  19  11 o 6.9216  1.4845 2.4609   0.9838  -0.1359  1.3169  5.7401   1.4798  4.1336  1.7804 10.677  1.4411 -6.543068      2.290564  
1 1 1 -7  19  12 o 52.719  7.3665 148.315  37.285  154.091  52.372  142.379  53.092  51.811  10.598 49.385  11.155 2.426899       15.38716  
1 1 1 -7  19  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  19  14 o 37.971  1.2202 71.310   4.5732  69.978   6.4011  72.699   6.5360  37.574  1.7260 38.297  1.7290 -0.7233849     2.443070  
1 1 1 -7  19  15 o 3.0310  1.4379 -1.4318  1.1580  2.6959   1.5167  -7.2010  1.7930  7.2667  2.0341 ?       ?      0.000000       2.034111  
1 1 1 -7  19  16 o 54.954  1.5408 149.629  8.3576  149.795  11.407  149.436  12.280  54.891  2.1054 54.793  2.2706 0.9853745E-01  3.096530  
1 1 1 -7  19  17 o 59.414  1.5041 174.931  8.8204  159.310  12.246  191.772  12.715  56.568  2.1932 62.093  2.0747 -5.524704      3.019013  
1 1 1 -7  20  1  o 78.132  1.9009 302.508  14.660  283.398  30.597  308.202  16.701  74.941  4.1526 78.820  2.1468 -3.878716      4.674697  
1 1 1 -7  20  2  o 52.875  1.7347 138.432  9.0533  146.551  17.119  135.280  10.667  54.093  3.2208 52.233  2.0691 1.859684       3.828151  
1 1 1 -7  20  3  o 62.607  1.1858 193.736  7.3278  208.258  10.365  179.225  10.361  64.869  1.6188 60.164  1.7448 4.704834       2.380078  
1 1 1 -7  20  4  o 29.228  3.6520 43.390   10.306  44.561   14.582  42.221   14.568  29.217  5.2493 28.381  5.3976 0.8356075      7.529226  
1 1 1 -7  20  5  o 58.006  1.5713 166.489  8.9965  158.083  11.940  177.529  13.684  56.460  2.1425 59.807  2.3180 -3.347103      3.156510  
1 1 1 -7  20  6  f 90.163  1.8815 402.722  16.744  428.625  24.509  380.048  22.930  92.838  2.6746 87.424  2.6573 5.414612       3.770302  
1 1 1 -7  20  7  o 43.163  1.1001 92.067   4.6868  97.519   5.9155  82.874   7.6817  44.408  1.3496 40.897  1.9030 3.510662       2.332953  
1 1 1 -7  20  8  o 104.861 6.7526 573.146  69.519  547.793  98.074  598.752  98.559  99.289  10.150 104.351 9.6791 -5.061783      14.02522  
1 1 1 -7  20  9  o 17.199  1.0058 14.666   1.7000  16.188   2.0732  11.542   2.9703  18.058  1.1694 15.120  2.0426 2.938608       2.353706  
1 1 1 -7  20  10 o 49.682  11.175 145.546  53.470  179.206  76.709  113.734  74.573  52.517  14.378 41.989  14.644 10.52733       20.52238  
1 1 1 -7  20  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -7  20  12 o 17.274  1.0634 14.807   1.8043  9.0506   2.4358  21.807   2.6859  13.375  1.8984 20.954  1.3051 -7.578582      2.303746  
1 1 1 -7  20  13 o 66.865  1.4166 221.361  9.3491  198.554  13.206  244.273  13.237  63.202  2.1170 70.148  1.9118 -6.945900      2.852443  
1 1 1 -7  20  14 o 20.355  5.4457 22.214   11.155  31.735   16.339  13.901   15.267  24.073  6.6541 17.736  6.5691 6.337204       9.350427  
1 1 1 -7  20  15 o 59.220  1.4563 173.736  8.5125  174.779  11.868  172.631  12.216  59.292  2.0280 58.910  2.1009 0.3814201      2.920022  
1 1 1 -7  20  16 f 63.879  2.2638 203.406  14.274  197.642  19.303  210.360  21.203  62.688  3.1196 64.505  3.3416 -1.816566      4.571463  
1 1 1 -7  21  1  o 59.567  1.4602 175.630  8.5850  179.844  12.011  171.228  12.276  60.196  2.0215 58.720  2.1180 1.475845       2.927848  
1 1 1 -7  21  2  o 110.333 1.9128 603.841  20.831  605.928  29.983  601.893  28.963  110.224 2.7559 109.891 2.6702 0.3324356      3.837327  
1 1 1 -7  21  3  o 33.743  3.3091 57.564   10.879  59.497   15.752  55.801   15.043  33.864  4.8513 32.797  4.7880 1.066402       6.816156  
1 1 1 -7  21  4  o 32.242  1.2354 51.411   3.9313  57.607   5.5522  45.181   5.5673  34.101  1.6496 30.125  1.8818 3.975952       2.502416  
1 1 1 -7  21  5  o 40.549  1.6030 81.437   6.4157  78.258   16.071  82.039   6.9975  39.125  4.2288 40.685  1.7425 -1.560818      4.573702  
1 1 1 -7  21  6  o 89.165  1.7858 394.142  15.716  399.348  21.805  388.514  22.672  89.569  2.4664 88.304  2.6013 1.265732       3.584691  
1 1 1 -7  21  7  o 69.638  2.2022 241.013  15.137  256.895  24.420  231.102  19.290  71.531  3.4587 68.025  2.8730 3.505844       4.496306  
1 1 1 -7  21  8  o 19.721  8.4753 3.9367   29.714  7.7442   39.766  -0.8769  44.712  22.736  9.7885 22.710  10.061 0.2672386E-01  14.03673  
1 1 1 -7  21  9  o 34.482  8.8748 68.166   30.383  53.557   42.644  83.227   43.299  30.793  11.043 37.044  11.024 -6.250742      15.60384  
1 1 1 -7  21  10 o 17.249  1.1901 14.787   2.0138  14.972   2.7491  14.572   2.9582  17.305  1.6287 17.048  1.7845 0.2572689      2.415961  
1 1 1 -7  21  11 o 78.045  1.8398 302.324  14.173  304.333  21.271  300.721  19.006  78.025  2.7619 77.657  2.4796 0.3682785      3.711668  
1 1 1 -7  21  12 o 85.325  1.7476 361.233  14.718  335.542  20.333  389.512  21.333  82.001  2.5122 88.375  2.4456 -6.374405      3.506007  
1 1 1 -7  21  13 o 62.870  1.3142 195.694  8.1554  184.725  10.741  210.624  12.531  61.001  1.7840 65.099  1.9503 -4.098812      2.643116  
1 1 1 -7  21  14 o 2.9206  1.4204 -2.3058  1.3029  -5.9001  1.7398  2.2831   1.9659  2.6849  1.3569 7.0215  2.3802 -4.336658      2.739865  
1 1 1 -7  21  15 o 29.694  0.9896 43.608   2.9004  41.798   3.5166  47.459   5.1292  29.055  1.2262 30.870  1.6898 -1.814838      2.087801  
1 1 1 -7  22  1  o 51.252  1.6119 130.203  8.1543  136.156  9.5004  113.549  15.891  52.377  1.8377 47.387  3.4206 4.989513       3.882962  
1 1 1 -7  22  2  f 25.852  4.0441 34.612   9.9810  35.770   14.928  33.676   13.422  25.696  5.9955 25.038  5.5743 0.6575985      8.186555  
1 1 1 -7  22  3  o 82.308  1.5711 335.698  12.764  337.872  19.567  334.088  16.840  82.350  2.4073 81.986  2.0810 0.3646011      3.182083  
1 1 1 -7  22  4  o 104.214 1.9348 539.301  19.902  534.135  27.284  545.175  29.094  103.426 2.6726 104.419 2.8229 -0.9930954     3.887368  
1 1 1 -7  22  5  o 59.081  7.2589 189.388  41.440  186.096  58.559  192.690  58.651  55.436  11.089 56.622  10.890 -1.185986      15.54230  
1 1 1 -7  22  6  o 33.138  8.4512 62.893   27.729  67.554   39.260  58.254   39.171  33.481  10.599 31.416  10.625 2.065071       15.00764  
1 1 1 -7  22  7  o 45.378  2.2442 102.509  10.052  100.862  10.257  142.487  50.527  44.940  2.3202 48.369  10.851 -3.428425      11.09581  
1 1 1 -7  22  8  o 33.167  1.3256 54.460   4.3397  53.872   4.4276  68.826   21.893  32.985  1.3599 35.602  6.4685 -2.616669      6.609862  
1 1 1 -7  22  9  o 69.802  1.5345 241.497  10.572  238.426  16.715  243.544  13.650  69.128  2.4497 69.999  1.9756 -0.8710403     3.147039  
1 1 1 -7  22  10 o 14.960  2.4615 11.456   3.5084  10.965   3.5252  62.535   35.951  14.614  2.5358 32.128  10.140 -17.51405      10.45189  
1 1 1 -7  22  11 o 5.5514  2.3409 0.1588   2.1937  0.1695   2.2085  -0.6286  18.923  5.5761  2.3500 15.249  6.6568 -9.672506      7.059406  
1 1 1 -7  22  12 o 23.163  0.9389 26.528   2.1466  18.501   2.9800  35.185   3.0949  19.247  1.5826 26.662  1.1760 -7.415056      1.971726  
1 1 1 -7  22  13 o 51.265  2.5966 131.985  13.096  119.084  17.522  148.314  19.713  48.255  3.7071 53.869  3.7304 -5.614285      5.259088  
1 1 1 -7  23  4  o 63.041  7.2176 219.038  44.101  206.232  61.861  232.273  62.889  57.026  11.389 61.296  10.789 -4.269661      15.68772  
1 1 1 -7  23  5  o 84.401  2.1369 354.872  17.802  342.173  20.707  390.848  34.853  82.720  2.5361 87.536  4.0339 -4.816200      4.764885  
1 1 1 -7  23  6  o 32.069  0.9929 50.860   3.1429  51.641   5.2989  50.435   3.9037  32.212  1.6724 31.917  1.2391 0.2947254      2.081400  
1 1 1 -7  23  7  o 55.676  2.4819 154.978  13.639  168.154  19.349  141.963  19.229  57.569  3.4204 52.749  3.7171 4.820633       5.051371  
1 1 1 -7  23  8  o 27.592  4.1653 39.746   10.991  44.478   14.676  33.703   16.585  28.746  5.3698 24.539  6.6718 4.206858       8.564338  
1 1 1 -7  23  9  o 52.221  1.2044 135.021  6.2081  129.588  7.8649  144.002  10.112  51.103  1.5592 53.799  1.9042 -2.695427      2.461148  
1 1 1 -7  23  10 o 35.090  1.7292 61.193   5.9891  74.248   15.983  59.061   6.4597  37.733  4.3725 34.395  1.9103 3.338226       4.771617  
1 1 1 -7  23  11 o 32.672  9.1952 66.058   30.905  54.623   43.634  77.569   43.780  29.375  11.061 33.866  11.230 -4.491793      15.76256  
1 1 1 -6  -22 1  o 66.807  1.5498 220.808  10.220  219.980  13.025  222.135  16.483  66.630  1.9806 66.877  2.4971 -0.2468643     3.187145  
1 1 1 -6  -21 1  o 40.208  7.2838 85.694   27.842  78.643   40.641  91.929   38.221  37.520  10.539 40.798  9.6436 -3.277576      14.28538  
1 1 1 -6  -21 2  o 32.900  2.0777 53.837   6.7123  53.645   8.3695  54.182   11.237  32.767  2.6094 32.767  3.5302 -0.9918213E-04 4.389921  
1 1 1 -6  -21 3  o 39.266  1.3332 76.224   5.1673  71.110   5.9828  91.240   10.252  37.912  1.5988 42.806  2.4365 -4.893673      2.914245  
1 1 1 -6  -20 1  o 16.374  6.4192 8.4049   15.112  2.8205   23.386  12.409   19.802  18.065  7.6319 19.016  7.3775 -0.9510288     10.61479  
1 1 1 -6  -20 2  o 41.003  1.6576 83.149   6.7087  82.470   7.6648  85.371   13.871  40.821  1.9023 41.263  3.4370 -0.4419746     3.928290  
1 1 1 -6  -20 3  o 59.813  1.2270 176.779  7.2438  168.400  9.3467  189.379  11.463  58.352  1.6228 61.858  1.8774 -3.505596      2.481569  
1 1 1 -6  -20 4  o 39.836  1.2154 78.417   4.7788  81.646   5.7340  71.072   8.6475  40.638  1.4295 37.789  2.3298 2.848789       2.733369  
1 1 1 -6  -19 1  o 63.556  1.3430 199.534  8.4249  173.268  11.495  230.015  12.383  59.193  1.9675 68.209  1.8393 -9.016281      2.693356  
1 1 1 -6  -19 2  o 70.276  1.2059 243.948  8.3647  257.444  11.645  229.562  12.023  72.167  1.6348 68.136  1.7877 4.030785       2.422511  
1 1 1 -6  -19 3  f 119.912 1.6415 710.948  19.428  711.940  27.107  709.900  27.860  119.890 2.2907 119.705 2.3579 0.1847687      3.287388  
1 1 1 -6  -19 4  o 33.502  1.6398 55.502   5.4226  46.914   8.9986  60.400   6.7949  30.582  3.0206 34.877  1.9820 -4.294678      3.612779  
1 1 1 -6  -19 5  o 17.157  1.7658 14.715   2.9475  11.255   3.3000  28.368   6.5549  14.896  2.3200 23.732  2.8557 -8.836069      3.679326  
1 1 1 -6  -18 1  o 106.452 1.4965 559.735  15.724  519.878  21.657  604.164  22.865  102.546 2.1397 110.550 2.0955 -8.004578      2.994870  
1 1 1 -6  -18 2  o 37.226  1.3491 68.446   4.9571  65.808   6.4399  72.283   7.7653  36.490  1.7880 38.178  2.0684 -1.688156      2.734073  
1 1 1 -6  -18 3  o 43.487  1.1087 93.391   4.7590  90.568   6.3695  96.958   7.1603  42.813  1.5073 44.293  1.6378 -1.479610      2.225823  
1 1 1 -6  -18 4  o 148.718 1.8956 1093.95  27.825  1071.58  39.089  1116.94  39.619  147.023 2.6936 150.107 2.6740 -3.084320      3.795506  
1 1 1 -6  -18 5  o 82.804  1.1172 338.675  9.1312  315.598  12.393  366.081  13.505  79.900  1.5714 86.052  1.5901 -6.151703      2.235554  
1 1 1 -6  -18 6  o 33.067  6.9785 57.797   22.061  48.914   31.215  66.661   31.183  30.412  9.4247 35.092  8.9689 -4.679506      13.01023  
1 1 1 -6  -18 7  o 42.565  6.8277 94.790   27.716  87.661   39.322  101.830  39.072  39.835  10.012 43.181  9.4313 -3.346119      13.75490  
1 1 1 -6  -17 1  o 99.476  1.3797 488.646  13.547  508.016  19.037  468.774  19.282  101.403 1.9020 97.401  2.0056 4.001122       2.764071  
1 1 1 -6  -17 2  o 171.274 2.4994 1450.77  42.253  1426.12  70.901  1464.34  52.617  169.480 4.2384 171.977 3.0997 -2.496414      5.250894  
1 1 1 -6  -17 3  o 85.223  1.2319 358.652  10.362  355.913  14.408  361.587  14.915  84.873  1.7199 85.544  1.7664 -0.6711426     2.465370  
1 1 1 -6  -17 4  o 166.533 9.8247 1434.55  160.777 1511.36  227.381 1357.75  227.364 167.197 13.904 157.534 14.796 9.663422       20.30373  
1 1 1 -6  -17 5  o 55.189  0.8133 150.374  4.4303  144.325  5.8896  158.258  6.7239  54.059  1.1038 56.605  1.2035 -2.545513      1.632988  
1 1 1 -6  -17 6  o 131.925 6.5311 882.232  85.045  919.840  120.396 844.781  120.147 132.689 9.2506 126.812 9.6718 5.876785       13.38346  
1 1 1 -6  -17 7  o 100.648 6.3905 515.547  63.157  535.557  89.491  495.692  89.144  101.077 9.0664 96.986  9.4315 4.091263       13.08252  
1 1 1 -6  -17 8  o 50.258  6.6729 130.790  32.284  126.488  46.166  134.906  45.162  48.091  10.050 49.939  9.5097 -1.847969      13.83584  
1 1 1 -6  -16 1  o 113.027 1.5049 630.846  16.788  657.181  23.520  603.489  23.972  115.332 2.0661 110.513 2.1976 4.819748       3.016328  
1 1 1 -6  -16 2  o 43.716  0.9111 94.336   3.9311  91.251   5.2720  98.200   5.8998  42.991  1.2424 44.596  1.3403 -1.605370      1.827567  
1 1 1 -6  -16 3  o 172.247 2.1307 1466.22  36.225  1418.45  51.020  1514.79  51.441  169.295 3.0533 174.962 2.9788 -5.666565      4.265621  
1 1 1 -6  -16 4  o 124.885 6.4498 782.920  79.233  803.470  112.054 762.373  112.049 125.480 9.1094 122.097 9.3690 3.382591       13.06753  
1 1 1 -6  -16 5  o 56.106  0.7848 155.394  4.3462  148.397  5.7862  164.452  6.5837  54.822  1.0693 57.709  1.1558 -2.887150      1.574600  
1 1 1 -6  -16 6  o 113.404 6.3972 649.978  71.314  630.438  100.814 669.548  100.893 110.226 9.3546 113.783 9.0586 -3.557922      13.02180  
1 1 1 -6  -16 7  o 67.461  6.3139 231.777  41.553  230.482  58.872  233.061  58.658  66.126  9.2750 66.546  9.1743 -0.4202347     13.04581  
1 1 1 -6  -16 8  o 38.518  6.9237 77.533   25.355  71.555   35.924  83.467   35.792  36.352  9.7924 39.311  9.3590 -2.958797      13.54552  
1 1 1 -6  -16 9  o 14.858  5.9016 6.1443   12.930  -8.3923  18.636  19.636   17.954  14.140  6.3629 20.583  7.1850 -6.443734      9.597439  
1 1 1 -6  -15 1  o 48.588  1.3666 116.559  6.5537  152.681  42.633  115.685  6.6325  54.633  8.1558 48.405  1.3882 6.228447       8.273103  
1 1 1 -6  -15 2  o 50.082  0.9120 123.807  4.5083  111.400  6.0609  139.173  6.7452  47.501  1.2927 53.093  1.2871 -5.592304      1.824226  
1 1 1 -6  -15 3  o 138.298 1.7673 944.665  24.125  931.828  33.978  957.714  34.259  137.300 2.5073 139.196 2.4936 -1.895264      3.536123  
1 1 1 -6  -15 4  o 130.720 6.4198 852.938  82.831  859.831  117.228 846.065  117.054 130.181 9.1821 129.105 9.2469 1.075851       13.03137  
1 1 1 -6  -15 5  o 174.911 2.1363 1512.07  36.881  1469.14  52.030  1555.43  52.287  172.277 3.0598 177.277 2.9882 -4.999481      4.276861  
1 1 1 -6  -15 6  o 105.653 7.3188 564.920  75.853  592.832  92.961  509.314  131.210 107.647 8.8268 97.118  14.100 10.52850       16.63484  
1 1 1 -6  -15 7  o 47.829  6.5218 117.187  29.986  118.521  42.582  115.874  42.234  47.244  9.4615 46.693  9.4875 0.5508995      13.39897  
1 1 1 -6  -15 8  o 144.593 6.6173 1057.29  94.441  1078.58  133.640 1036.05  133.479 143.983 9.4561 140.954 9.6521 3.029221       13.51226  
1 1 1 -6  -15 9  o 71.981  6.3319 263.760  44.529  255.917  63.109  271.537  62.839  69.640  9.4233 71.938  9.0501 -2.298347      13.06534  
1 1 1 -6  -15 10 o 59.135  7.5307 181.687  42.958  178.207  52.627  188.635  74.367  57.705  9.5754 57.495  13.359 0.2106476      16.43640  
1 1 1 -6  -14 1  o 24.831  1.3235 30.527   3.2322  32.255   4.1565  27.884   5.1407  25.504  1.6602 23.653  2.2282 1.851013       2.778702  
1 1 1 -6  -14 2  f 183.372 6.8785 1676.40  124.498 1702.80  176.153 1650.05  175.980 183.634 9.7536 180.696 9.9047 2.937561       13.90091  
1 1 1 -6  -14 3  o 82.958  1.1290 339.737  9.2444  319.906  12.850  361.011  13.309  80.488  1.6175 85.504  1.5770 -5.016022      2.259005  
1 1 1 -6  -14 4  o 220.870 3.5081 2414.57  76.480  2380.51  81.478  2666.94  221.772 219.259 3.7649 229.882 9.7739 -10.62303      10.47397  
1 1 1 -6  -14 5  o 18.758  1.1860 17.440   2.1846  19.239   2.7865  14.571   3.5191  19.686  1.4441 17.039  2.1396 2.646719       2.581342  
1 1 1 -6  -14 6  o 128.396 6.3952 823.590  81.047  834.466  114.647 812.725  114.589 128.140 9.1242 126.401 9.2488 1.738754       12.99194  
1 1 1 -6  -14 7  o 75.373  8.9697 292.345  65.421  294.840  92.327  289.830  92.713  74.077  13.107 73.348  13.296 0.7294083      18.66994  
1 1 1 -6  -14 8  o 40.033  6.8091 82.872   25.942  77.928   37.097  87.603   36.292  38.192  9.7940 40.582  9.2643 -2.389545      13.48145  
1 1 1 -6  -14 9  o 63.481  6.3197 205.042  39.071  211.894  55.265  198.195  55.245  63.576  9.0635 61.305  9.4321 2.270988       13.08094  
1 1 1 -6  -14 10 o 41.983  7.9041 92.794   31.552  92.863   38.509  92.653   55.034  41.515  9.5908 41.113  12.473 0.4018021      15.73402  
1 1 1 -6  -14 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -13 1  o 106.832 1.6337 563.553  17.227  571.209  21.055  548.046  29.965  107.543 1.9836 105.295 2.8832 2.247696       3.499598  
1 1 1 -6  -13 2  o 93.447  1.2368 431.088  11.408  431.814  16.031  430.345  16.238  93.512  1.7368 93.352  1.7622 0.1600113      2.474282  
1 1 1 -6  -13 3  o 180.213 6.8315 1618.09  121.516 1628.19  171.874 1607.99  171.825 179.657 9.7287 178.512 9.7892 1.145721       13.80132  
1 1 1 -6  -13 4  o 144.898 1.9018 1036.95  27.200  1031.61  38.364  1042.35  38.570  144.469 2.6904 145.219 2.6909 -0.7497406     3.805143  
1 1 1 -6  -13 5  o 98.949  1.2277 483.366  11.990  496.713  16.897  469.829  17.017  100.290 1.7069 97.536  1.7676 2.754074       2.457259  
1 1 1 -6  -13 6  o 48.517  7.4249 120.339  34.425  102.029  59.545  129.531  42.191  44.095  12.877 50.046  8.8657 -5.951462      15.63382  
1 1 1 -6  -13 7  o 50.668  6.2504 129.988  30.597  114.522  43.002  145.845  43.543  46.744  9.6406 53.170  8.5897 -6.426704      12.91215  
1 1 1 -6  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -13 9  o 46.180  7.7438 110.744  34.048  118.374  42.215  96.542   57.594  47.306  9.3724 42.334  12.741 4.971951       15.81708  
1 1 1 -6  -13 10 o 68.978  6.3383 241.659  42.671  254.861  60.764  228.815  59.936  69.879  9.0203 65.975  9.4758 3.904015       13.08274  
1 1 1 -6  -13 11 o 128.130 6.5280 831.802  82.286  828.074  116.521 835.510  116.220 126.091 9.4307 126.708 9.3589 -0.6172104     13.28636  
1 1 1 -6  -13 12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -12 1  o 225.201 2.7718 2506.22  61.613  2546.82  87.103  2465.55  87.165  226.872 3.8897 223.213 3.9563 3.658920       5.548169  
1 1 1 -6  -12 2  o 109.553 1.4030 592.528  15.172  586.056  21.303  599.188  21.612  108.934 1.9813 110.147 1.9879 -1.213448      2.806622  
1 1 1 -6  -12 3  o 272.758 7.9913 3716.03  215.144 3684.84  304.230 3747.23  304.289 269.937 11.418 272.267 11.323 -2.330353      16.08070  
1 1 1 -6  -12 4  o 131.952 2.2444 860.122  29.232  871.258  30.208  696.144  115.919 132.799 2.3046 117.190 10.121 15.60898       10.37978  
1 1 1 -6  -12 5  o 189.264 2.4703 1770.02  46.147  1687.80  65.157  1852.76  65.368  184.692 3.5742 193.528 3.4221 -8.835938      4.948273  
1 1 1 -6  -12 6  o 153.814 6.5943 1178.53  100.115 1178.08  141.583 1178.97  141.586 152.771 9.4356 152.831 9.4320 -0.5978394E-01 13.34135  
1 1 1 -6  -12 7  o 58.436  7.2871 173.182  41.117  203.722  71.843  158.306  50.142  62.192  12.139 55.308  9.5290 6.884075       15.43245  
1 1 1 -6  -12 8  o 206.123 7.2338 2127.47  147.172 2077.18  206.835 2179.05  209.456 201.873 10.416 207.109 10.246 -5.236588      14.61070  
1 1 1 -6  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -12 10 o 85.967  6.3235 373.063  53.280  362.016  76.146  383.660  74.578  83.570  9.3940 86.270  8.8854 -2.699844      12.93050  
1 1 1 -6  -12 11 o 31.997  6.8835 53.650   21.094  57.141   30.094  50.277   29.577  32.810  9.0149 30.941  9.0869 1.868862       12.80000  
1 1 1 -6  -12 12 o 53.070  6.4286 144.122  32.988  158.288  46.932  130.290  46.376  54.789  8.9903 49.287  9.8770 5.501614       13.35596  
1 1 1 -6  -11 1  o 19.417  1.4589 18.717   2.7756  12.221   3.8663  25.626   3.9871  15.516  2.6177 22.711  1.7932 -7.194905      3.172994  
1 1 1 -6  -11 2  o 331.831 3.9358 5447.85  128.908 5640.88  182.315 5254.86  182.292 337.264 5.4767 325.462 5.6746 11.80215       7.886370  
1 1 1 -6  -11 3  o 45.868  6.2337 106.415  27.491  98.677   38.983  114.070  38.774  43.576  9.3438 47.050  8.6686 -3.474277      12.74564  
1 1 1 -6  -11 4  o 85.174  1.0892 358.102  9.1572  346.688  12.796  370.084  13.111  83.796  1.5471 86.578  1.5342 -2.781586      2.178797  
1 1 1 -6  -11 5  f 186.785 3.1038 1724.95  57.223  1733.78  60.347  1646.25  180.210 187.245 3.2652 180.627 10.149 6.617401       10.66141  
1 1 1 -6  -11 6  o 92.522  7.1801 429.212  65.057  431.579  79.727  424.495  112.545 92.406  8.8494 90.439  12.980 1.966629       15.70947  
1 1 1 -6  -11 7  o 48.637  6.3407 119.660  29.716  114.317  41.975  125.028  42.073  46.900  9.3950 49.183  8.9982 -2.283371      13.00899  
1 1 1 -6  -11 8  o 95.863  6.2334 459.509  58.660  464.632  82.897  454.372  83.018  95.769  8.8703 94.663  8.9931 1.106438       12.63164  
1 1 1 -6  -11 9  o 173.507 6.8224 1504.93  116.839 1518.49  165.296 1491.40  165.175 172.900 9.7253 171.304 9.8096 1.595474       13.81341  
1 1 1 -6  -11 10 o 88.117  13.130 413.466  110.711 0.0000   0.0000  413.466  110.711 ?       ?      88.117  13.130 0.000000       13.12998  
1 1 1 -6  -11 11 o 112.761 6.4135 640.951  71.087  606.665  101.298 674.219  99.783  108.312 9.5738 114.573 8.8932 -6.260490      13.06695  
1 1 1 -6  -11 12 o 112.705 6.4054 642.037  70.962  621.087  100.270 663.059  100.441 109.390 9.3774 113.228 9.0632 -3.838219      13.04136  
1 1 1 -6  -11 13 o 73.944  6.3612 277.842  45.976  282.700  64.446  272.807  65.608  73.534  9.0716 72.049  9.4539 1.485680       13.10226  
1 1 1 -6  -10 1  o 399.429 5.1852 7898.16  204.426 8114.10  331.906 7766.17  259.485 403.870 8.3261 395.686 6.6440 8.184143       10.65203  
1 1 1 -6  -10 2  o 57.281  1.2166 161.959  6.8781  164.428  9.8117  159.574  9.6448  57.710  1.7225 56.852  1.7188 0.8581467      2.433351  
1 1 1 -6  -10 3  o 125.138 6.3118 779.515  77.710  779.521  109.961 779.509  109.836 124.591 9.0023 124.592 8.9918 -0.1304626E-02 12.72373  
1 1 1 -6  -10 4  o 156.630 1.9583 1211.53  30.275  1216.61  42.783  1206.44  42.847  156.908 2.7624 156.249 2.7783 0.6587830      3.917858  
1 1 1 -6  -10 5  o 106.298 1.3227 557.809  13.878  577.760  19.602  537.758  19.652  108.166 1.8360 104.352 1.9079 3.814209       2.647837  
1 1 1 -6  -10 6  o 37.550  0.5779 69.589   2.1420  80.985   3.1361  59.623   2.9327  40.507  0.7844 34.756  0.8549 5.750885       1.160209  
1 1 1 -6  -10 7  o 66.430  6.1156 221.158  39.649  224.240  55.971  218.054  56.175  66.374  8.7572 65.397  8.9365 0.9774094      12.51197  
1 1 1 -6  -10 8  o 48.741  6.3013 120.121  29.606  102.619  41.796  137.745  41.942  44.325  9.8125 51.801  8.4979 -7.476036      12.98073  
1 1 1 -6  -10 9  o 78.411  6.1680 307.946  47.351  304.470  67.107  311.392  66.824  77.342  8.9563 78.266  8.8029 -0.9249115     12.55812  
1 1 1 -6  -10 10 o 39.195  6.6299 78.799   24.735  76.522   35.410  80.969   34.565  38.161  9.4505 39.289  9.0931 -1.128654      13.11480  
1 1 1 -6  -10 11 o 98.917  6.2529 491.551  60.736  514.273  85.980  468.921  85.807  100.349 8.7686 95.626  9.2047 4.722961       12.71280  
1 1 1 -6  -10 12 o 76.058  6.3018 292.522  46.883  293.670  65.624  291.326  67.002  75.287  9.0100 74.884  9.2624 0.4028015      12.92176  
1 1 1 -6  -10 13 o 43.901  6.6108 99.247   27.758  86.526   39.167  112.083  39.344  40.110  9.9430 46.003  8.9872 -5.893185      13.40267  
1 1 1 -6  -10 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -9  1  o 123.070 1.5840 747.666  19.242  801.481  27.339  694.839  27.086  127.410 2.1739 118.628 2.3133 8.782051       3.174465  
1 1 1 -6  -9  2  o 245.809 7.5646 3000.45  183.534 3086.18  259.661 2914.86  259.450 248.562 10.584 241.481 10.885 7.081635       15.18234  
1 1 1 -6  -9  3  o 61.604  8.6727 192.715  51.275  168.277  72.016  217.841  73.022  56.667  13.132 64.891  11.837 -8.223461      17.67963  
1 1 1 -6  -9  4  o 186.428 2.3007 1716.59  42.336  1742.40  59.857  1690.76  59.887  187.751 3.2300 184.944 3.2807 2.807510       4.603841  
1 1 1 -6  -9  5  o 120.186 1.7235 713.219  20.445  724.239  25.264  692.304  34.805  121.096 2.1136 118.353 2.9794 2.743019       3.652995  
1 1 1 -6  -9  6  o 128.379 2.1681 814.035  27.473  778.606  38.752  849.834  38.954  125.499 3.1284 131.122 3.0098 -5.623100      4.341197  
1 1 1 -6  -9  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -9  8  o 164.567 6.6861 1347.84  108.604 1377.14  153.630 1318.57  153.550 165.402 9.4495 161.763 9.6611 3.638870       13.51402  
1 1 1 -6  -9  9  o 54.959  6.2161 152.120  33.127  148.473  46.825  155.776  46.873  53.675  9.1675 55.064  8.9302 -1.389122      12.79816  
1 1 1 -6  -9  10 o 55.715  6.2316 156.468  33.682  143.024  47.580  169.973  47.688  52.509  9.5313 57.575  8.6598 -5.065632      12.87776  
1 1 1 -6  -9  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -9  12 o 97.484  6.2781 477.854  60.087  478.657  85.014  477.052  84.937  96.629  9.0178 96.462  9.0258 0.1666870      12.75876  
1 1 1 -6  -9  13 o 49.188  6.3794 123.583  30.243  131.351  43.380  116.238  42.185  49.922  9.1405 46.799  9.4577 3.122623       13.15287  
1 1 1 -6  -9  14 o 85.943  6.2891 373.799  52.980  366.854  74.867  380.766  74.982  83.982  9.1813 85.657  9.0035 -1.674995      12.85925  
1 1 1 -6  -9  15 o 44.995  6.4549 104.291  27.846  101.128  39.365  107.459  39.396  43.373  9.4615 44.819  9.2134 -1.446285      13.20626  
1 1 1 -6  -8  1  o 201.935 2.4739 2013.36  49.310  2024.47  69.715  2002.25  69.754  202.447 3.4889 201.332 3.5101 1.115250       4.949042  
1 1 1 -6  -8  2  o 215.081 7.1627 2293.11  152.058 2349.74  215.094 2236.53  214.992 217.260 10.030 211.917 10.278 5.343735       14.36147  
1 1 1 -6  -8  3  o 115.247 7.2015 661.597  81.509  681.404  99.859  622.058  141.086 116.717 8.7313 110.521 13.194 6.195801       15.82147  
1 1 1 -6  -8  4  o 320.210 4.2412 5071.85  134.046 4978.08  169.349 5229.16  219.347 317.009 5.4122 324.543 6.8474 -7.534454      8.728078  
1 1 1 -6  -8  5  o 180.568 2.2171 1610.27  39.515  1603.59  55.868  1616.96  55.897  180.127 3.1423 180.877 3.1309 -0.7500458     4.435845  
1 1 1 -6  -8  6  f 168.708 2.0840 1405.66  34.703  1401.72  49.068  1409.60  49.086  168.411 2.9519 168.885 2.9447 -0.4734802     4.169466  
1 1 1 -6  -8  7  o 163.807 3.5895 1327.16  58.036  1250.26  152.144 1340.26  62.783  157.580 9.8309 164.585 3.8647 -7.004990      10.56327  
1 1 1 -6  -8  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -8  9  o 189.856 6.9533 1795.11  130.301 1840.74  184.362 1749.57  184.186 191.166 9.8037 186.261 10.056 4.905167       14.04389  
1 1 1 -6  -8  10 o 180.464 6.8627 1623.00  122.241 1605.45  172.890 1640.54  172.860 178.311 9.8616 180.301 9.7494 -1.989670      13.86735  
1 1 1 -6  -8  11 o 53.221  6.2533 143.002  32.223  146.218  45.294  139.706  45.850  53.231  8.9375 51.922  9.2874 1.309055       12.88930  
1 1 1 -6  -8  12 o 162.529 13.982 1391.22  222.111 0.0000   0.0000  1391.22  222.111 ?       ?      162.529 13.982 0.000000       13.98159  
1 1 1 -6  -8  13 o 26.865  6.8463 37.670   18.207  35.083   25.907  40.195   25.593  26.608  8.6299 28.014  8.5075 -1.406111      12.11824  
1 1 1 -6  -8  14 f 86.082  6.3226 374.649  53.345  395.351  76.385  354.939  74.531  87.409  8.9812 82.642  9.2986 4.767960       12.92771  
1 1 1 -6  -8  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -7  1  o 104.474 1.3685 538.740  14.112  556.154  19.979  521.401  19.936  106.143 1.9070 102.772 1.9653 3.370537       2.738414  
1 1 1 -6  -7  2  o 131.914 6.3039 861.205  82.080  845.361  116.116 877.029  116.041 130.186 9.0935 132.640 8.9152 -2.454330      12.73471  
1 1 1 -6  -7  3  o 301.951 8.3406 4526.30  248.579 4407.17  351.484 4645.50  351.604 297.019 11.989 305.039 11.678 -8.020050      16.73660  
1 1 1 -6  -7  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -7  5  f 176.451 2.1781 1537.51  37.935  1526.18  53.644  1548.83  53.651  175.746 3.0925 177.047 3.0701 -1.300751      4.357654  
1 1 1 -6  -7  6  o 205.538 2.5140 2086.87  51.002  2072.65  72.131  2101.08  72.123  204.738 3.5694 206.141 3.5447 -1.402573      5.030435  
1 1 1 -6  -7  7  o 151.024 1.8548 1126.26  27.649  1112.60  39.111  1139.90  39.092  150.063 2.6405 151.895 2.6075 -1.831833      3.710970  
1 1 1 -6  -7  8  o 76.162  6.0936 289.894  45.425  290.118  64.288  289.671  64.192  75.692  8.7673 75.634  8.7609 0.5769348E-01  12.39430  
1 1 1 -6  -7  9  o 125.229 2.1322 774.582  26.355  772.680  36.939  776.554  37.614  125.026 2.9933 125.336 3.0405 -0.3098450     4.266627  
1 1 1 -6  -7  10 o 82.840  6.1944 343.025  50.283  339.427  71.800  346.488  70.441  81.820  9.0418 82.743  8.7581 -0.9233246     12.58799  
1 1 1 -6  -7  11 o 151.664 6.5842 1145.76  98.565  1138.87  139.436 1152.64  139.348 150.195 9.4538 151.126 9.3881 -0.9315186     13.32335  
1 1 1 -6  -7  12 o 54.997  7.3052 153.878  38.674  141.624  47.301  178.589  67.171  52.192  9.5331 58.062  12.113 -5.869720      15.41419  
1 1 1 -6  -7  13 o 109.302 6.2856 599.341  67.526  561.735  95.405  637.092  95.588  104.787 9.3216 111.879 8.7251 -7.092377      12.76793  
1 1 1 -6  -7  14 o 65.670  9.3654 224.791  58.985  234.680  86.505  216.197  80.639  65.259  13.858 62.764  13.423 2.495430       19.29300  
1 1 1 -6  -7  15 o 104.656 6.3237 553.156  65.016  546.334  92.023  559.954  91.872  102.735 9.1713 104.088 9.0318 -1.352791      12.87195  
1 1 1 -6  -7  16 o 42.600  9.4597 97.338   38.740  85.769   55.070  108.672  54.508  39.857  12.546 44.381  12.107 -4.524143      17.43503  
1 1 1 -6  -6  1  o 197.815 2.4292 1931.84  47.431  1894.36  67.064  1969.36  67.091  195.850 3.4692 199.693 3.4039 -3.842392      4.860207  
1 1 1 -6  -6  2  o 148.100 2.5333 1082.95  37.032  1154.03  52.598  1013.08  52.147  152.853 3.4863 143.208 3.6892 9.645569       5.075875  
1 1 1 -6  -6  3  o 151.418 6.4690 1134.87  96.683  1145.37  136.781 1124.38  136.681 151.617 9.1833 150.203 9.2645 1.413757       13.04465  
1 1 1 -6  -6  4  o 140.281 6.3840 974.628  88.395  979.001  124.980 970.251  125.039 140.053 9.0901 139.415 9.1371 0.6376801      12.88866  
1 1 1 -6  -6  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -6  6  o 195.740 2.7066 1892.70  52.292  1903.05  65.376  1874.32  87.128  196.221 3.3755 194.617 4.5357 1.604767       5.653888  
1 1 1 -6  -6  7  o 170.551 2.3929 1436.77  40.282  1396.02  67.366  1459.45  50.256  167.976 4.0631 171.852 2.9628 -3.875168      5.028634  
1 1 1 -6  -6  8  o 108.968 1.3501 586.183  14.521  594.797  20.581  577.645  20.492  109.750 1.8999 108.155 1.9195 1.594627       2.700764  
1 1 1 -6  -6  9  o 101.952 2.6871 513.613  27.040  513.613  27.040  0.0000   0.0000  101.952 2.6871 ?       ?      0.000000       2.687063  
1 1 1 -6  -6  10 o 270.419 3.2886 3615.97  87.778  3661.61  124.158 3570.35  124.116 271.861 4.6269 268.439 4.6844 3.421967       6.584214  
1 1 1 -6  -6  11 o 40.068  0.7258 79.240   2.8705  72.249   5.4071  81.984   3.3872  38.254  1.4320 40.755  0.8420 -2.501144      1.661246  
1 1 1 -6  -6  12 o 62.479  1.6089 192.762  9.9218  148.506  51.530  194.465  10.111  53.403  10.147 62.754  1.6324 -9.350258      10.27737  
1 1 1 -6  -6  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  -6  14 o 134.009 6.4274 899.930  85.016  882.441  120.189 917.443  120.271 131.303 9.3346 133.987 9.1489 -2.683578      13.07048  
1 1 1 -6  -6  15 o 28.483  7.0012 42.539   19.544  25.854   27.537  59.472   27.742  24.435  8.8590 33.527  8.4002 -9.092266      12.20841  
1 1 1 -6  -6  16 o 55.364  7.5295 158.241  40.078  138.705  48.544  200.071  71.032  50.946  10.011 60.450  12.323 -9.504154      15.87648  
1 1 1 -6  -5  1  o 256.212 3.3750 3241.74  85.351  3291.58  120.721 3191.94  120.689 258.093 4.7389 254.152 4.8111 3.941376       6.753015  
1 1 1 -6  -5  2  o 284.977 3.3524 4010.59  94.296  4017.93  133.359 4003.26  133.352 285.143 4.7383 284.621 4.7468 0.5218201      6.706974  
1 1 1 -6  -5  3  o 250.360 4.9502 3098.17  122.326 3033.18  263.822 3115.96  138.064 246.999 10.821 251.026 5.5722 -4.026718      12.17176  
1 1 1 -6  -5  4  o 173.958 6.6991 1498.34  115.025 1498.98  162.690 1497.71  162.651 173.446 9.5397 173.372 9.5415 0.7376099E-01  13.49248  
1 1 1 -6  -5  5  o 331.473 18.024 5599.14  587.493 0.0000   0.0000  5599.14  587.493 ?       ?      331.473 18.024 0.000000       18.02426  
1 1 1 -6  -5  6  o 157.080 6.5402 1223.71  101.401 1180.29  143.349 1267.18  143.458 153.567 9.5039 159.215 9.1674 -5.647919      13.20477  
1 1 1 -6  -5  7  o 56.688  6.0258 161.163  33.200  157.850  46.976  164.470  46.926  55.587  8.8593 56.810  8.6410 -1.222851      12.37555  
1 1 1 -6  -5  8  o 35.967  6.3919 66.144   21.860  61.294   30.934  70.983   30.896  34.399  9.0053 36.981  8.6230 -2.582790      12.46803  
1 1 1 -6  -5  9  o 83.411  6.1042 347.298  49.907  359.658  70.653  334.989  70.506  84.431  8.5980 81.385  8.9234 3.046211       12.39166  
1 1 1 -6  -5  10 o 24.791  6.3820 31.697   15.709  43.795   22.391  19.970   22.045  29.120  7.6800 21.937  7.9304 7.183542       11.03966  
1 1 1 -6  -5  11 o 98.234  6.3134 481.694  60.890  492.088  86.205  471.345  86.019  98.739  8.9422 96.573  9.1325 2.165894       12.78150  
1 1 1 -6  -5  12 o 81.542  6.2097 332.626  49.603  348.165  70.861  317.696  69.459  82.890  8.7955 79.075  9.0629 3.814331       12.62919  
1 1 1 -6  -5  13 o 102.946 1.5352 523.327  15.599  497.791  19.091  574.617  27.057  100.386 1.9268 107.818 2.5424 -7.431976      3.190046  
1 1 1 -6  -5  14 o 110.680 1.6489 605.087  18.013  603.763  22.284  607.583  30.598  110.533 2.0425 110.817 2.7973 -0.2844162     3.463670  
1 1 1 -6  -5  15 o 48.732  1.1251 117.262  5.4118  110.652  8.4161  121.922  7.0665  47.319  1.8020 49.682  1.4410 -2.363358      2.307294  
1 1 1 -6  -5  16 o 112.588 2.0598 626.892  22.890  626.150  32.303  627.640  32.441  112.404 2.9115 112.536 2.9206 -0.1321411     4.123959  
1 1 1 -6  -5  17 o 69.988  2.0996 242.325  14.504  277.847  86.708  241.302  14.711  71.079  12.831 69.838  2.1342 1.241142       13.00753  
1 1 1 -6  -4  1  f 77.386  1.3190 295.573  10.075  316.938  16.202  282.101  12.865  80.128  2.0485 75.599  1.7241 4.529266       2.677503  
1 1 1 -6  -4  2  o 205.191 2.5007 2078.60  50.646  2031.56  71.598  2125.71  71.652  202.818 3.5765 207.468 3.4990 -4.649857      5.003417  
1 1 1 -6  -4  3  o 23.030  1.1019 26.178   2.5048  21.254   3.4178  31.891   3.6815  20.682  1.6890 25.376  1.4762 -4.694088      2.243221  
1 1 1 -6  -4  4  o 301.559 3.5801 4491.69  106.561 4556.92  150.723 4426.50  150.676 303.617 5.0295 299.234 5.1015 4.383392       7.163863  
1 1 1 -6  -4  5  o 180.349 2.2257 1605.83  39.620  1547.71  55.985  1664.15  56.078  177.018 3.2042 183.561 3.0951 -6.543152      4.454990  
1 1 1 -6  -4  6  o 121.557 1.5663 729.408  18.792  747.918  26.668  711.149  26.486  123.075 2.1952 120.011 2.2359 3.064461       3.133435  
1 1 1 -6  -4  7  o 129.986 1.6437 834.145  21.088  826.747  29.853  841.514  29.794  129.386 2.3376 130.537 2.3124 -1.151382      3.288061  
1 1 1 -6  -4  8  o 275.717 3.3223 3757.80  90.413  3790.91  127.966 3724.80  127.762 276.708 4.6853 274.278 4.7193 2.429810       6.650115  
1 1 1 -6  -4  9  o 118.085 1.4898 688.413  17.365  685.299  24.505  691.555  24.610  117.797 2.1076 118.333 2.1071 -0.5365143     2.980231  
1 1 1 -6  -4  10 o 118.103 1.5542 688.657  18.117  696.039  25.661  681.320  25.582  118.710 2.1900 117.448 2.2068 1.262627       3.109037  
1 1 1 -6  -4  11 o 111.718 1.4227 616.179  15.688  631.713  22.228  600.761  22.145  113.098 1.9912 110.291 2.0342 2.807251       2.846531  
1 1 1 -6  -4  12 o 111.226 1.4353 610.788  15.757  591.934  22.380  629.322  22.189  109.472 2.0712 112.880 1.9915 -3.407867      2.873310  
1 1 1 -6  -4  13 o 45.642  0.9323 102.829  4.1998  118.815  6.4458  91.036   5.5363  49.057  1.3312 42.941  1.3062 6.115826       1.865017  
1 1 1 -6  -4  14 o 77.408  1.3033 295.856  9.9575  277.899  17.618  304.284  12.070  74.981  2.3806 78.495  1.5579 -3.514206      2.845041  
1 1 1 -6  -4  15 o 83.965  1.3486 348.170  11.176  380.650  19.272  331.711  13.719  87.744  2.2252 81.941  1.6962 5.803604       2.797995  
1 1 1 -6  -4  16 o 18.374  1.9806 16.886   3.5352  12.720   4.7664  21.979   5.2707  15.738  3.1778 20.910  2.6107 -5.171624      4.112725  
1 1 1 -6  -4  17 o 68.625  1.1298 232.571  7.6526  242.640  10.541  221.351  11.127  70.076  1.5240 66.922  1.6846 3.153633       2.271640  
1 1 1 -6  -4  18 o 11.334  3.4992 6.3677   4.3076  6.7204   5.6672  5.8852   6.6290  12.009  4.0415 11.968  4.3454 0.4051590E-01  5.934323  
1 1 1 -6  -3  1  o 303.067 3.7362 4536.56  111.764 4493.45  151.790 4587.60  165.174 301.520 5.1003 304.626 5.4934 -3.106293      7.496029  
1 1 1 -6  -3  2  o 316.500 4.2349 4948.57  132.296 4885.20  204.214 4994.39  173.667 314.247 6.5839 317.851 5.5356 -3.603485      8.601712  
1 1 1 -6  -3  3  o 375.264 4.5082 6957.90  166.985 6998.06  246.308 6923.75  227.158 376.092 6.6352 374.155 6.1510 1.936279       9.047630  
1 1 1 -6  -3  4  o 105.317 1.3490 547.461  14.023  534.096  19.799  560.913  19.863  104.017 1.9285 106.597 1.8879 -2.579948      2.698720  
1 1 1 -6  -3  5  o 267.545 3.1940 3535.13  84.347  3522.51  119.290 3547.75  119.279 266.972 4.5269 267.928 4.5104 -0.9561462     6.390340  
1 1 1 -6  -3  6  o 101.305 1.3312 506.560  13.311  519.354  18.878  493.911  18.770  102.569 1.8647 100.024 1.9012 2.544518       2.663042  
1 1 1 -6  -3  7  o 139.169 1.7503 956.174  24.043  975.555  34.033  936.862  33.972  140.550 2.4532 137.733 2.4989 2.817200       3.501817  
1 1 1 -6  -3  8  o 141.884 1.7857 993.937  25.008  1002.04  35.388  985.850  35.346  142.431 2.5172 141.275 2.5348 1.156494       3.572326  
1 1 1 -6  -3  9  o 165.293 2.0553 1349.26  33.532  1364.58  47.496  1334.04  47.347  166.174 2.8958 164.303 2.9196 1.871506       4.112082  
1 1 1 -6  -3  10 o 202.664 2.5492 2029.20  50.993  2001.56  70.948  2058.74  73.341  201.174 3.5730 204.019 3.6420 -2.845154      5.102037  
1 1 1 -6  -3  11 o 190.653 3.1758 1797.03  59.763  1628.11  184.410 1816.85  63.172  179.637 10.446 191.684 3.3389 -12.04655      10.96630  
1 1 1 -6  -3  12 o 115.247 1.6917 655.831  19.244  586.076  32.828  692.351  23.753  108.880 3.0547 118.398 2.0326 -9.517982      3.669108  
1 1 1 -6  -3  13 o 112.685 1.4604 626.941  16.243  616.485  22.979  637.382  22.963  111.716 2.0840 113.595 2.0481 -1.879333      2.921898  
1 1 1 -6  -3  14 o 187.919 2.5103 1745.51  46.561  1800.22  65.992  1691.27  65.704  190.700 3.5059 184.823 3.6017 5.876495       5.026304  
1 1 1 -6  -3  15 o 153.280 1.9685 1160.96  29.783  1204.24  42.238  1118.16  42.000  156.020 2.7428 150.328 2.8306 5.691086       3.941482  
1 1 1 -6  -3  16 o 90.638  1.3008 405.729  11.638  418.926  16.687  393.231  16.238  92.068  1.8363 89.199  1.8444 2.868713       2.602634  
1 1 1 -6  -3  17 o 74.728  1.2485 275.808  9.2092  296.091  13.027  255.545  13.020  77.400  1.7052 71.898  1.8347 5.502815       2.504775  
1 1 1 -6  -3  18 o 150.544 1.9739 1120.92  29.330  1122.92  41.395  1118.91  41.564  150.516 2.7863 150.243 2.8028 0.2729645      3.952123  
1 1 1 -6  -2  1  o 241.673 3.7802 2884.89  90.174  2779.48  247.389 2901.04  96.836  236.526 10.597 242.333 4.0485 -5.807068      11.34366  
1 1 1 -6  -2  2  o 100.429 1.3210 497.812  13.095  530.208  18.637  466.227  18.402  103.641 1.8219 97.186  1.9184 6.455200       2.645634  
1 1 1 -6  -2  3  o 363.722 4.2374 6535.48  152.126 6576.44  215.148 6494.54  215.130 364.680 5.9771 362.397 6.0143 2.282471       8.479245  
1 1 1 -6  -2  4  o 181.185 2.2378 1620.61  40.019  1601.34  56.593  1639.88  56.599  180.078 3.1839 182.233 3.1467 -2.155075      4.476499  
1 1 1 -6  -2  5  o 194.133 2.3890 1860.64  45.778  1804.61  64.698  1916.81  64.781  191.151 3.4291 197.007 3.3315 -5.856705      4.780926  
1 1 1 -6  -2  6  o 80.816  1.0462 322.358  8.3451  337.100  11.938  308.268  11.670  82.640  1.4635 79.027  1.4962 3.613403       2.092913  
1 1 1 -6  -2  7  o 220.236 2.6949 2395.49  58.583  2384.66  82.867  2406.30  82.830  219.658 3.8221 220.654 3.8031 -0.9960785     5.391886  
1 1 1 -6  -2  8  o 72.013  0.9525 255.958  6.7706  242.846  9.7216  268.309  9.4350  70.139  1.4043 73.726  1.2966 -3.586800      1.911272  
1 1 1 -6  -2  9  o 134.251 1.7059 889.862  22.605  868.674  31.920  911.180  32.017  132.613 2.4386 135.821 2.3883 -3.208145      3.413300  
1 1 1 -6  -2  10 o 341.087 4.0425 5756.97  136.096 5781.60  192.490 5732.35  192.449 341.363 5.7129 339.898 5.7363 1.464203       8.095860  
1 1 1 -6  -2  11 o 228.290 2.9162 2575.81  65.711  2639.40  92.988  2512.38  92.871  230.928 4.0796 225.287 4.1765 5.640976       5.838348  
1 1 1 -6  -2  12 o 67.277  6.1950 226.804  40.675  210.635  57.000  243.581  58.063  64.201  9.2629 69.260  8.6843 -5.059288      12.69721  
1 1 1 -6  -2  13 o 89.812  1.2455 398.208  11.041  394.981  15.655  401.401  15.573  89.434  1.7735 90.158  1.7500 -0.7245941     2.491552  
1 1 1 -6  -2  14 o 95.110  1.2855 446.605  12.068  438.596  17.028  454.688  17.105  94.235  1.8307 95.950  1.8061 -1.714165      2.571659  
1 1 1 -6  -2  15 o 68.076  1.1137 228.797  7.4837  213.886  10.326  245.297  10.862  65.808  1.5896 70.476  1.5615 -4.667671      2.228252  
1 1 1 -6  -2  16 o 60.221  1.1524 179.065  6.8496  174.832  10.059  182.725  9.3528  59.486  1.7133 60.820  1.5580 -1.333839      2.315717  
1 1 1 -6  -2  17 f 69.354  1.1670 237.535  7.9887  236.382  11.288  238.692  11.308  69.162  1.6535 69.500  1.6484 -0.3374481     2.334798  
1 1 1 -6  -2  18 o 175.111 2.3838 1517.93  41.203  1555.90  58.359  1480.19  58.180  177.030 3.3398 172.646 3.4142 4.383987       4.776107  
1 1 1 -6  -1  1  o 178.333 2.1936 1569.99  38.613  1543.65  54.596  1596.35  54.617  176.803 3.1285 179.797 3.0776 -2.994339      4.388542  
1 1 1 -6  -1  2  o 415.865 9.8814 8582.95  405.607 0.0000   0.0000  8582.95  405.607 ?       ?      415.865 9.8814 0.000000       9.881428  
1 1 1 -6  -1  3  o 215.858 2.8434 2300.57  60.582  2244.77  85.599  2356.58  85.752  213.174 4.0682 218.423 3.9775 -5.248886      5.689539  
1 1 1 -6  -1  4  o 143.224 1.9995 1012.60  28.267  1026.32  39.635  998.393  40.324  144.176 2.7852 142.199 2.8730 1.976959       4.001424  
1 1 1 -6  -1  5  o 222.141 2.7003 2436.56  59.207  2529.95  83.798  2343.47  83.665  226.305 3.7515 217.797 3.8919 8.508255       5.405609  
1 1 1 -6  -1  6  o 249.473 3.0129 3073.50  74.191  3060.54  104.939 3086.45  104.904 248.865 4.2721 249.918 4.2527 -1.052795      6.027915  
1 1 1 -6  -1  7  f 135.252 1.7880 903.063  23.869  911.429  33.805  894.746  33.708  135.858 2.5209 134.608 2.5370 1.249649       3.576517  
1 1 1 -6  -1  8  o 169.936 2.1327 1425.93  35.772  1424.91  50.614  1426.95  50.564  169.830 3.0194 169.952 3.0143 -0.1219635     4.266480  
1 1 1 -6  -1  9  o 167.599 2.1093 1387.14  34.894  1326.29  49.272  1448.35  49.423  163.827 3.0471 171.208 2.9246 -7.381500      4.223511  
1 1 1 -6  -1  10 o 88.193  1.1719 383.944  10.202  371.898  14.304  396.413  14.554  86.789  1.6698 89.604  1.6455 -2.815399      2.344382  
1 1 1 -6  -1  11 o 27.392  1.0140 37.037   2.7417  32.854   3.5221  43.470   4.3675  25.759  1.3904 29.635  1.4980 -3.875715      2.043824  
1 1 1 -6  -1  12 o 109.791 1.4362 595.112  15.563  568.441  21.850  622.579  22.174  107.281 2.0634 112.276 2.0009 -4.995140      2.874232  
1 1 1 -6  -1  13 o 206.478 3.4404 2108.85  70.117  2115.63  74.449  2055.62  208.590 206.780 3.6477 201.683 10.515 5.097366       11.12944  
1 1 1 -6  -1  14 o 114.974 1.5445 652.718  17.527  659.973  24.796  645.473  24.778  115.581 2.1735 114.303 2.1962 1.277985       3.089906  
1 1 1 -6  -1  15 o 140.686 1.9096 977.741  26.517  1022.05  37.748  934.574  37.259  143.774 2.6600 137.475 2.7458 6.298553       3.822992  
1 1 1 -6  -1  16 o 138.505 2.0492 948.122  28.015  912.542  34.726  1014.44  47.410  135.823 2.5903 143.094 3.3567 -7.270645      4.239943  
1 1 1 -6  -1  17 o 67.046  6.3163 227.723  41.307  219.062  57.878  236.715  58.970  64.783  9.3197 67.474  9.0854 -2.690300      13.01546  
1 1 1 -6  -1  18 o 185.583 8.0626 1758.09  147.689 1666.72  255.418 1803.98  181.018 173.228 15.089 186.224 9.8835 -12.99646      18.03777  
1 1 1 -6  -1  19 f 70.685  6.3102 254.250  43.563  252.379  62.388  256.031  60.854  69.202  9.3751 69.861  9.0370 -0.6590118     13.02150  
1 1 1 -6  0   1  o 93.234  1.1342 429.032  10.437  419.111  14.739  439.012  14.782  92.146  1.6206 94.309  1.5880 -2.162682      2.268946  
1 1 1 -6  0   2  o 186.082 2.5757 1709.54  47.308  1663.75  63.490  1766.71  70.933  183.542 3.5046 189.124 3.7999 -5.582123      5.169258  
1 1 1 -6  0   3  o 135.549 6.2952 908.786  84.225  871.751  119.068 945.878  119.157 132.280 9.1762 137.864 8.8025 -5.584717      12.71561  
1 1 1 -6  0   4  o 172.616 2.1322 1470.89  36.328  1475.13  51.389  1466.66  51.363  172.842 3.0122 172.345 3.0194 0.4974518      4.264953  
1 1 1 -6  0   5  o 33.135  0.9412 54.187   3.0782  49.378   4.5009  58.413   4.2194  31.629  1.4417 34.402  1.2426 -2.772549      1.903298  
1 1 1 -6  0   6  o 293.552 3.4907 4256.33  101.142 4134.00  143.014 4378.73  143.058 289.175 5.0106 297.625 4.8698 -8.450470      6.987152  
1 1 1 -6  0   7  f 113.494 1.5774 635.829  17.671  626.072  23.696  648.053  26.522  112.610 2.1319 114.565 2.3455 -1.955147      3.169565  
1 1 1 -6  0   8  o 217.180 2.6613 2329.55  57.048  2374.02  80.681  2285.09  80.676  219.162 3.7297 215.012 3.8014 4.150284       5.325547  
1 1 1 -6  0   9  o 136.828 1.7458 924.340  23.578  933.975  33.345  914.706  33.344  137.512 2.4567 136.085 2.4824 1.427048       3.492531  
1 1 1 -6  0   10 o 152.074 1.9159 1142.00  28.758  1116.57  40.642  1167.50  40.696  150.326 2.7391 153.721 2.6822 -3.394394      3.833662  
1 1 1 -6  0   11 o 175.015 2.3323 1513.07  40.289  1517.01  56.959  1509.12  56.995  175.162 3.2945 174.705 3.3052 0.4571838      4.666698  
1 1 1 -6  0   12 o 172.053 2.1531 1462.16  36.565  1479.33  51.748  1445.04  51.672  172.990 3.0307 170.970 3.0620 2.019897       4.308234  
1 1 1 -6  0   13 o 85.386  2.3573 360.194  19.867  445.317  75.406  353.845  20.595  94.042  8.2059 84.626  2.4656 9.416313       8.568296  
1 1 1 -6  0   14 o 148.917 6.6036 1104.54  97.063  1066.58  135.998 1143.95  138.575 145.324 9.5341 150.581 9.3700 -5.256821      13.36769  
1 1 1 -6  0   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  0   16 o 203.512 4.3857 2056.51  88.096  2219.53  203.641 2018.98  97.713  208.855 9.8784 201.490 4.9132 7.364761       11.03277  
1 1 1 -6  0   17 o 72.557  1.2696 259.988  9.0923  256.276  13.182  263.356  12.557  72.009  1.8547 73.004  1.7427 -0.9941177     2.544963  
1 1 1 -6  0   18 o 104.811 1.7336 542.996  17.935  561.039  22.535  511.820  29.621  106.494 2.1438 101.607 2.9536 4.887093       3.649584  
1 1 1 -6  0   19 o 114.350 1.6543 646.341  18.672  645.826  26.103  646.881  26.721  114.219 2.3153 114.304 2.3684 -0.8509064E-01 3.312135  
1 1 1 -6  1   1  f 335.546 5.2058 5566.33  172.414 5605.81  229.181 5514.86  261.702 336.510 6.9000 333.602 7.9478 2.908630       10.52505  
1 1 1 -6  1   2  o 382.134 4.8637 7216.88  183.449 7221.64  259.430 7212.11  259.442 381.991 6.8807 381.737 6.8856 0.2529907      9.734266  
1 1 1 -6  1   3  o 394.210 5.0774 7680.65  197.560 7697.43  289.690 7666.05  270.119 394.307 7.4433 393.581 6.9532 0.7254028      10.18580  
1 1 1 -6  1   4  o 350.205 5.2181 6062.23  180.371 6166.49  198.143 5557.99  435.750 353.152 5.6844 333.904 13.222 19.24771       14.39171  
1 1 1 -6  1   5  o 190.248 2.4912 1786.93  46.781  1749.85  63.219  1831.81  69.549  188.232 3.4027 192.579 3.6589 -4.346786      4.996550  
1 1 1 -6  1   6  o 170.839 2.1240 1440.81  35.815  1436.14  50.668  1445.48  50.634  170.535 3.0101 171.089 2.9984 -0.5539398     4.248635  
1 1 1 -6  1   7  o 250.375 3.4897 3096.79  86.241  3125.34  115.902 3061.37  129.086 251.429 4.6703 248.784 5.2568 2.644974       7.031781  
1 1 1 -6  1   8  o 247.087 3.5560 3016.94  86.724  2954.44  112.642 3107.91  135.899 244.399 4.6694 250.558 5.4951 -6.159393      7.211070  
1 1 1 -6  1   9  o 236.725 2.8669 2768.55  66.987  2790.25  94.765  2746.88  94.704  237.527 4.0421 235.670 4.0713 1.856720       5.737026  
1 1 1 -6  1   10 o 110.677 1.4652 604.726  16.006  614.636  22.729  594.977  22.543  111.562 2.0641 109.762 2.0808 1.799171       2.930893  
1 1 1 -6  1   11 o 106.581 7.1996 568.104  75.296  555.589  92.145  593.254  130.622 105.012 8.9762 107.531 12.543 -2.519814      15.42365  
1 1 1 -6  1   12 o 51.078  6.2366 131.550  30.789  135.272  43.551  127.831  43.533  51.273  8.9300 49.754  9.2037 1.519234       12.82391  
1 1 1 -6  1   13 o 267.703 7.8936 3579.09  208.574 3641.72  295.022 3516.50  294.914 268.469 11.133 263.704 11.330 4.765320       15.88490  
1 1 1 -6  1   14 o 184.684 2.6442 1685.76  48.201  1773.52  80.626  1636.95  60.129  189.200 4.3174 181.910 3.3488 7.289856       5.463916  
1 1 1 -6  1   15 o 124.362 1.6607 763.778  20.385  797.313  29.394  732.706  28.294  127.022 2.3445 121.766 2.3541 5.255676       3.322463  
1 1 1 -6  1   16 o 40.056  1.5067 79.239   5.9570  74.435   8.2554  84.459   8.6043  38.749  2.1672 41.287  2.1185 -2.538246      3.030659  
1 1 1 -6  1   17 o 67.289  1.3147 223.605  8.7318  244.591  13.095  206.803  11.717  70.350  1.8859 64.691  1.8350 5.659897       2.631290  
1 1 1 -6  1   18 o 59.818  1.3294 176.749  7.8489  171.263  11.206  182.032  10.997  58.854  1.9291 60.681  1.8360 -1.827435      2.663147  
1 1 1 -6  1   19 o 100.990 1.6265 504.094  16.213  499.656  23.039  508.448  22.819  100.466 2.3234 101.351 2.2811 -0.8856201     3.255952  
1 1 1 -6  1   20 o 10.115  4.2736 0.4453   7.3341  2.3071   10.198  -1.5491  10.555  12.406  5.1252 11.502  4.9971 0.9037380      7.158124  
1 1 1 -6  2   1  o 226.396 2.6667 2530.67  59.591  2572.49  84.293  2488.88  84.257  228.209 3.7422 224.467 3.8029 3.742676       5.335367  
1 1 1 -6  2   2  o 362.016 4.2055 6474.70  150.271 6496.08  212.524 6453.32  212.508 362.422 5.9410 361.225 5.9602 1.197357       8.415460  
1 1 1 -6  2   3  o 28.779  0.9083 40.876   2.5800  32.601   3.6082  49.534   3.6905  25.660  1.4303 31.680  1.1802 -6.019646      1.854371  
1 1 1 -6  2   4  o 76.256  1.1454 287.001  8.6208  297.597  12.254  276.618  12.130  77.648  1.5989 74.861  1.6417 2.787201       2.291610  
1 1 1 -6  2   5  o 206.070 3.6735 2097.47  74.718  2091.89  80.386  2132.94  202.571 205.781 3.9577 207.260 9.9022 -1.478653      10.66377  
1 1 1 -6  2   6  o 270.006 3.5399 3600.95  94.342  3676.81  133.579 3525.45  133.259 272.723 4.9623 267.042 5.0557 5.681061       7.084131  
1 1 1 -6  2   7  o 233.154 3.2588 2685.06  74.994  2701.81  112.430 2671.64  100.660 233.758 4.8729 232.491 4.3865 1.267441       6.556362  
1 1 1 -6  2   8  o 297.284 4.9528 4372.36  145.331 4296.68  223.374 4427.92  191.375 294.188 7.6926 298.903 6.4867 -4.714844      10.06246  
1 1 1 -6  2   9  o 143.371 6.4036 1019.71  90.619  1087.13  128.299 952.587  128.011 147.431 8.8577 137.838 9.4664 9.593033       12.96422  
1 1 1 -6  2   10 o 54.622  6.2112 149.988  32.891  176.174  46.192  123.056  46.846  58.906  8.1642 48.690  10.080 10.21586       12.97121  
1 1 1 -6  2   11 f 196.895 4.1978 1919.09  81.582  1899.68  191.722 1923.38  90.151  194.267 10.033 197.050 4.6351 -2.782700      11.05180  
1 1 1 -6  2   12 o 72.000  1.1302 255.902  8.0323  266.161  11.418  245.853  11.301  73.421  1.5756 70.564  1.6226 2.857513       2.261737  
1 1 1 -6  2   13 o 185.560 2.3434 1701.11  42.921  1710.38  60.742  1691.86  60.657  185.966 3.3092 184.955 3.3226 1.011307       4.689418  
1 1 1 -6  2   14 o 121.166 1.6452 724.955  19.676  727.947  27.884  721.988  27.769  121.382 2.3274 120.884 2.3274 0.4978180      3.291431  
1 1 1 -6  2   15 o 29.375  3.2025 43.192   9.1348  51.072   28.687  42.302   9.6365  31.450  8.8617 29.037  3.4284 2.412849       9.501764  
1 1 1 -6  2   16 o 21.539  2.7313 23.310   5.6763  27.263   8.4507  20.061   7.6620  23.152  3.8321 19.757  4.0647 3.395309       5.586299  
1 1 1 -6  2   17 o 88.151  1.3878 383.767  12.075  408.046  17.475  361.578  16.705  90.865  1.9484 85.533  1.9787 5.331932       2.776989  
1 1 1 -6  2   18 o 55.154  1.5056 150.290  8.1962  148.791  11.191  152.024  12.038  54.851  2.0671 55.436  2.2000 -0.5849724     3.018711  
1 1 1 -6  2   19 o 67.355  1.4801 224.177  9.8397  233.118  13.925  215.262  13.905  68.645  2.0553 65.957  2.1359 2.687653       2.964172  
1 1 1 -6  2   20 o 53.783  1.5628 142.982  8.2963  136.801  11.765  149.095  11.701  52.562  2.2676 54.882  2.1600 -2.319386      3.131764  
1 1 1 -6  3   1  o 189.638 2.3681 1775.43  44.326  1776.40  60.842  1774.34  64.710  189.661 3.2501 189.542 3.4588 0.1183624      4.746211  
1 1 1 -6  3   2  o 550.804 6.7296 15013.25 365.866 14638.74 519.102 15382.92 515.741 543.105 9.6836 556.834 9.3837 -13.72858      13.48424  
1 1 1 -6  3   3  o 283.264 4.0844 3963.82  114.198 4013.61  161.502 3914.03  161.499 284.901 5.7432 281.337 5.8158 3.563416       8.173563  
1 1 1 -6  3   4  o 297.057 3.5146 4358.21  103.050 4388.68  145.766 4327.77  145.704 297.984 4.9560 295.906 4.9887 2.078125       7.031977  
1 1 1 -6  3   5  o 124.803 1.6362 768.825  20.155  797.795  28.708  740.663  28.304  127.122 2.2880 122.485 2.3412 4.637276       3.273521  
1 1 1 -6  3   6  o 226.329 7.3034 2537.37  163.153 2510.63  230.694 2564.14  230.773 224.708 10.401 227.107 10.295 -2.399063      14.63452  
1 1 1 -6  3   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  3   8  o 170.041 6.7744 1433.58  113.700 1413.00  160.741 1454.18  160.852 168.133 9.7275 170.602 9.5912 -2.469803      13.66075  
1 1 1 -6  3   9  o 256.848 5.1229 3266.57  129.875 3363.27  277.130 3239.35  147.019 259.139 10.835 255.652 5.8263 3.487671       12.30188  
1 1 1 -6  3   10 o 48.373  1.0833 115.503  5.1721  115.115  7.3919  115.875  7.2394  48.288  1.5509 48.447  1.5139 -0.1594963     2.167326  
1 1 1 -6  3   11 o 95.360  1.3850 448.929  13.036  461.194  17.652  434.218  19.333  96.641  1.8506 93.764  2.0890 2.876671       2.790760  
1 1 1 -6  3   12 o 84.705  1.2889 354.208  10.776  357.992  14.771  349.901  15.756  85.145  1.7576 84.173  1.8965 0.9716721      2.585690  
1 1 1 -6  3   13 o 109.590 1.4974 592.976  16.197  611.968  23.007  574.312  22.807  111.307 2.0941 107.826 2.1430 3.481049       2.996276  
1 1 1 -6  3   14 o 112.601 1.5718 626.054  17.469  632.602  24.755  619.559  24.654  113.159 2.2164 111.985 2.2305 1.173363       3.144409  
1 1 1 -6  3   15 o 54.281  1.3041 145.472  6.9871  145.771  10.261  145.213  9.5405  54.325  1.9137 54.224  1.7826 0.1008949      2.615295  
1 1 1 -6  3   16 o 118.669 2.4412 696.136  28.594  696.136  28.594  0.0000   0.0000  118.669 2.4412 ?       ?      0.000000       2.441224  
1 1 1 -6  3   17 o 229.056 2.8491 2596.87  64.414  2624.66  91.081  2569.06  91.109  229.951 4.0129 227.488 4.0576 2.463531       5.706800  
1 1 1 -6  3   18 o 102.148 1.5373 515.526  15.499  529.800  22.167  501.872  21.680  103.495 2.1700 100.730 2.1806 2.765862       3.076314  
1 1 1 -6  3   19 o 75.522  1.4689 281.832  10.950  286.224  15.436  277.384  15.535  76.063  2.0561 74.875  2.1020 1.187981       2.940425  
1 1 1 -6  3   20 o 106.926 6.4444 581.179  67.696  587.834  95.291  574.399  96.188  105.966 9.2021 104.600 9.4175 1.365623       13.16693  
1 1 1 -6  4   1  o 176.738 2.6051 1542.20  45.445  1498.91  64.177  1585.74  64.361  174.202 3.7325 179.180 3.6392 -4.978622      5.212946  
1 1 1 -6  4   2  o 149.258 2.1226 1099.76  31.271  1101.73  43.134  1097.57  45.402  149.374 2.9256 149.087 3.0853 0.2862091      4.251850  
1 1 1 -6  4   3  o 99.737  1.8868 491.029  18.574  522.314  25.687  456.745  26.890  102.856 2.5301 96.179  2.8325 6.677177       3.797999  
1 1 1 -6  4   4  o 506.651 16.702 12890.19 835.214 12890.19 835.214 0.0000   0.0000  506.651 16.702 ?       ?      0.000000       16.70151  
1 1 1 -6  4   5  o 168.178 6.6789 1400.01  110.869 1394.08  157.786 1405.80  155.816 167.288 9.5960 168.017 9.4338 -0.7293243     13.45663  
1 1 1 -6  4   6  o 229.849 10.435 2627.75  236.733 2653.05  334.971 2602.50  334.612 229.580 14.862 227.332 14.997 2.247665       21.11345  
1 1 1 -6  4   7  o 251.515 4.6793 3127.69  116.165 3185.70  164.283 3069.68  164.281 253.613 6.5628 248.935 6.6860 4.677811       9.368748  
1 1 1 -6  4   8  o 205.269 2.6348 2080.97  53.384  2124.63  72.324  2028.70  79.126  207.352 3.5338 202.583 3.9571 4.768768       5.305346  
1 1 1 -6  4   9  o 287.710 3.4305 4091.40  97.419  4139.12  137.807 4043.72  137.736 289.168 4.8282 285.806 4.8825 3.361755       6.866638  
1 1 1 -6  4   10 o 237.998 2.9154 2799.13  68.486  2870.73  96.976  2727.90  96.732  240.870 4.0789 234.787 4.1741 6.082840       5.836160  
1 1 1 -6  4   11 o 96.180  1.4602 456.710  13.862  472.267  21.722  446.021  18.005  97.779  2.2507 95.035  1.9195 2.744087       2.958062  
1 1 1 -6  4   12 o 87.600  1.3574 378.850  11.737  382.781  15.928  374.182  17.360  88.041  1.8329 87.040  2.0207 1.000488       2.728156  
1 1 1 -6  4   13 o 173.509 2.2932 1487.34  39.274  1497.64  58.120  1478.69  53.278  173.999 3.3841 172.925 3.1215 1.074280       4.603912  
1 1 1 -6  4   14 o 19.575  2.7322 19.307   5.1351  16.716   7.1320  22.097   7.3997  18.015  4.1027 20.815  3.7392 -2.799946      5.551022  
1 1 1 -6  4   15 o 139.800 1.8534 965.323  25.575  935.703  36.138  995.045  36.200  137.579 2.6612 141.881 2.5849 -4.302307      3.709959  
1 1 1 -6  4   16 o 67.260  1.3846 223.385  9.1924  213.758  13.168  232.535  12.838  65.775  2.0283 68.608  1.8958 -2.833084      2.776325  
1 1 1 -6  4   17 o 59.039  1.4733 172.151  8.5857  178.135  12.282  166.432  12.007  60.034  2.0727 58.027  2.0964 2.006561       2.948014  
1 1 1 -6  4   18 o 90.139  6.4995 410.782  57.438  370.050  80.885  452.214  81.578  84.201  9.9229 93.637  8.9351 -9.435593      13.35287  
1 1 1 -6  4   19 o 130.610 6.5846 865.110  84.614  851.656  119.362 878.699  119.964 127.733 9.5361 129.835 9.4253 -2.102097      13.40795  
1 1 1 -6  4   20 o 142.831 2.0059 1009.44  28.279  1031.88  39.959  986.924  40.026  144.231 2.8069 141.036 2.8753 3.194687       4.018182  
1 1 1 -6  4   21 o 27.542  7.2926 40.334   20.138  40.683   28.124  39.968   28.847  27.999  8.9822 27.876  9.1098 0.1235161      12.79330  
1 1 1 -6  5   1  o 228.869 10.389 2602.25  234.691 0.0000   0.0000  2602.25  234.691 ?       ?      228.869 10.389 0.000000       10.38903  
1 1 1 -6  5   2  o 196.907 9.8192 1924.96  190.841 0.0000   0.0000  1924.96  190.841 ?       ?      196.907 9.8192 0.000000       9.819205  
1 1 1 -6  5   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  5   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  5   5  o 455.681 5.5826 10269.60 251.091 10453.04 333.360 10029.07 381.727 459.372 7.3522 449.653 8.6009 9.718964       11.31500  
1 1 1 -6  5   6  o 216.325 3.1832 2311.29  67.968  2353.24  96.165  2269.41  96.077  218.198 4.4651 214.270 4.5428 3.927750       6.369808  
1 1 1 -6  5   7  o 260.438 7.7715 3365.50  199.775 3388.25  282.619 3342.78  282.431 260.619 10.987 258.847 11.054 1.771851       15.58542  
1 1 1 -6  5   8  o 248.651 3.4429 3055.27  84.497  3016.70  126.382 3086.45  113.628 246.873 5.1865 249.788 4.6087 -2.915085      6.938331  
1 1 1 -6  5   9  o 269.267 3.6961 3584.81  98.235  3505.53  146.710 3649.25  132.261 265.958 5.5887 271.481 4.9358 -5.522430      7.456275  
1 1 1 -6  5   10 o 72.203  1.2325 257.348  8.7836  246.823  12.809  266.690  12.068  70.701  1.8355 73.495  1.6636 -2.793945      2.477220  
1 1 1 -6  5   11 o 176.192 2.3070 1533.56  40.120  1536.28  59.638  1531.31  54.224  176.244 3.4283 175.991 3.1215 0.2530212      4.636478  
1 1 1 -6  5   12 o 104.162 1.4645 535.682  15.057  538.304  21.188  533.006  21.402  104.395 2.0563 103.879 2.0873 0.5162888      2.930017  
1 1 1 -6  5   13 o 201.815 2.5216 2012.75  50.230  2055.29  70.987  1970.09  71.085  203.807 3.5288 199.526 3.6095 4.280792       5.047860  
1 1 1 -6  5   14 o 138.020 1.8989 940.888  25.869  984.241  35.252  890.302  38.080  141.120 2.5309 134.189 2.8751 6.931091       3.830291  
1 1 1 -6  5   15 o 51.594  1.2655 131.424  6.4445  132.424  8.1833  129.793  10.457  51.784  1.6010 51.256  2.0669 0.5276527      2.614459  
1 1 1 -6  5   16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  5   17 o 43.023  7.2423 95.426   29.662  77.844   42.424  112.240  41.489  38.375  10.764 46.196  9.4183 -7.821251      14.30268  
1 1 1 -6  5   18 o 217.350 3.9222 2347.85  84.144  2347.24  110.957 2348.68  129.083 216.756 5.1862 216.352 6.0447 0.4044037      7.964634  
1 1 1 -6  5   19 o 28.494  2.5891 40.554   7.2024  35.134   10.088  46.189   10.286  26.264  4.0195 30.286  3.5057 -4.021803      5.333503  
1 1 1 -6  5   20 o 64.838  1.6496 207.850  10.557  210.911  14.669  204.561  15.205  65.261  2.2773 64.259  2.3973 1.001694       3.306496  
1 1 1 -6  5   21 o 9.5427  4.1005 -0.4476  6.9533  0.8347   9.6529  -1.8306  10.025  11.642  4.9100 11.104  4.8464 0.5373945      6.898967  
1 1 1 -6  6   1  o 239.920 7.5066 2851.21  177.765 2860.26  252.378 2842.29  250.429 239.856 10.660 239.109 10.611 0.7467957      15.04109  
1 1 1 -6  6   2  o 256.991 4.3065 3263.42  109.240 3276.52  160.729 3252.17  148.922 257.323 6.3282 256.411 5.8842 0.9118042      8.641199  
1 1 1 -6  6   3  o 114.831 1.6221 650.877  18.386  664.123  25.391  636.278  26.657  115.984 2.2180 113.524 2.3790 2.460396       3.252510  
1 1 1 -6  6   4  o 387.590 5.2470 7427.77  200.732 7535.85  307.585 7347.59  264.923 389.920 7.9920 385.218 6.9675 4.701782       10.60279  
1 1 1 -6  6   5  o 356.321 5.5078 6280.26  193.710 6495.05  257.721 6001.34  293.682 362.068 7.2115 347.759 8.5559 14.30930       11.18972  
1 1 1 -6  6   6  o 276.023 4.0836 3765.30  111.256 3823.24  157.482 3707.56  157.199 277.950 5.7402 273.703 5.8188 4.247406       8.173681  
1 1 1 -6  6   7  o 159.611 2.3020 1257.93  36.266  1236.17  49.643  1282.83  53.106  158.188 3.1795 161.137 3.3390 -2.949692      4.610623  
1 1 1 -6  6   8  o 210.824 5.8313 2202.39  121.343 2202.39  121.343 0.0000   0.0000  210.824 5.8313 ?       ?      0.000000       5.831278  
1 1 1 -6  6   9  o 129.339 1.6788 825.919  21.431  792.500  30.008  860.709  30.618  126.668 2.4002 132.009 2.3498 -5.340752      3.358947  
1 1 1 -6  6   10 o 52.555  1.2670 136.350  6.5726  125.018  10.765  143.085  8.2989  50.311  2.1679 53.834  1.5618 -3.523026      2.671875  
1 1 1 -6  6   11 o 77.972  1.3562 300.148  10.438  299.574  15.488  300.625  14.128  77.881  2.0148 78.023  1.8345 -0.1416779     2.724865  
1 1 1 -6  6   12 o 58.210  1.3116 167.281  7.5356  176.531  10.363  156.902  10.978  59.789  1.7560 56.362  1.9733 3.426731       2.641444  
1 1 1 -6  6   13 o 45.917  1.0123 104.074  4.5880  103.445  6.3918  104.741  6.5895  45.773  1.4148 46.058  1.4495 -0.2853088     2.025460  
1 1 1 -6  6   14 o 130.143 2.1343 836.758  27.416  833.374  32.249  845.580  52.064  129.853 2.5161 130.650 4.0374 -0.7973938     4.757227  
1 1 1 -6  6   15 o 141.380 6.5165 997.008  90.936  1016.38  128.677 977.683  128.530 141.706 9.2506 138.903 9.4306 2.802734       13.21020  
1 1 1 -6  6   16 o 38.984  4.1709 76.224   15.800  0.0000   0.0000  76.224   15.800  ?       ?      38.984  4.1709 0.000000       4.170898  
1 1 1 -6  6   17 o 33.113  2.2625 54.462   7.3504  63.831   10.580  45.720   10.220  35.779  3.0241 30.172  3.4964 5.606926       4.622827  
1 1 1 -6  6   18 o 90.369  6.4088 412.606  56.794  376.374  81.040  447.577  79.616  84.958  9.8466 93.230  8.7545 -8.271790      13.17560  
1 1 1 -6  6   19 o 103.493 1.7060 529.510  17.427  505.693  24.020  555.984  25.324  101.051 2.4082 105.955 2.4214 -4.903656      3.415092  
1 1 1 -6  6   20 o 17.992  4.5811 16.824   8.1572  11.386   12.175  21.253   10.988  16.330  5.8952 20.201  5.4048 -3.870668      7.997801  
1 1 1 -6  6   21 o 130.273 1.9351 839.985  24.882  813.396  34.912  867.433  35.471  128.002 2.7633 132.198 2.7184 -4.196045      3.876294  
1 1 1 -6  7   1  o 75.617  1.2082 282.220  9.0179  288.530  12.848  276.093  12.660  76.454  1.7026 74.788  1.7151 1.665901       2.416664  
1 1 1 -6  7   2  o 64.915  1.2347 207.990  7.9109  209.074  11.189  206.907  11.186  65.081  1.7418 64.743  1.7505 0.3382416      2.469476  
1 1 1 -6  7   3  o 149.791 2.2403 1107.71  33.123  1099.13  46.900  1116.25  46.787  149.183 3.1851 150.342 3.1529 -1.158539      4.481694  
1 1 1 -6  7   4  o 187.838 3.1809 1742.66  58.975  1747.57  83.404  1737.75  83.402  188.029 4.4940 187.499 4.5065 0.5302277      6.364321  
1 1 1 -6  7   5  o 297.656 4.1001 4378.69  120.460 4461.17  181.916 4314.28  160.752 300.184 6.1397 295.291 5.5154 4.893433       8.253218  
1 1 1 -6  7   6  o 193.410 2.5687 1847.28  49.037  1892.48  68.450  1799.63  70.283  195.707 3.5435 190.833 3.7313 4.873764       5.145823  
1 1 1 -6  7   7  f 288.892 4.1461 4126.68  118.225 3910.57  192.506 4257.55  149.803 280.742 6.9471 293.281 5.1749 -12.53836      8.662662  
1 1 1 -6  7   8  f 137.488 1.8818 933.332  25.537  897.223  36.091  969.535  36.138  134.768 2.7132 140.099 2.6133 -5.330521      3.767079  
1 1 1 -6  7   9  o 191.073 3.7424 1805.73  70.579  1805.73  70.579  0.0000   0.0000  191.073 3.7424 ?       ?      0.000000       3.742350  
1 1 1 -6  7   10 o 108.247 1.5337 578.527  16.387  583.609  22.814  573.110  23.553  108.700 2.1264 107.715 2.2153 0.9859390      3.070695  
1 1 1 -6  7   11 o 61.732  1.3775 188.143  8.3933  169.676  14.536  197.380  10.280  58.598  2.5133 63.224  1.6473 -4.625904      3.005056  
1 1 1 -6  7   12 o 137.218 1.8166 929.901  24.605  891.466  34.625  969.105  34.970  134.302 2.6120 140.034 2.5300 -5.732605      3.636428  
1 1 1 -6  7   13 o 42.358  6.6677 91.547   26.956  92.239   37.735  90.827   38.519  42.020  9.3403 41.663  9.5685 0.3577271      13.37149  
1 1 1 -6  7   14 o 167.670 6.6989 1402.47  110.864 1323.33  156.389 1482.43  157.185 161.589 9.8524 171.285 9.3326 -9.695816      13.57082  
1 1 1 -6  7   15 o 57.409  1.4369 162.743  8.1424  165.896  11.277  159.309  11.769  57.949  1.9716 56.783  2.0999 1.166027       2.880352  
1 1 1 -6  7   16 o 92.400  1.5689 421.667  14.309  416.081  20.248  427.238  20.223  91.751  2.2358 92.975  2.2037 -1.223969      3.139288  
1 1 1 -6  7   17 o 39.271  2.0110 76.424   7.7690  82.864   11.281  70.615   10.715  40.820  2.8171 37.657  2.9051 3.163162       4.046733  
1 1 1 -6  7   18 o 32.729  2.3622 53.279   7.5798  65.406   10.917  41.988   10.533  36.193  3.0852 28.827  3.7939 7.366327       4.890030  
1 1 1 -6  7   19 o 95.271  2.2947 449.389  21.579  443.551  22.255  541.039  88.178  94.638  2.3825 101.957 8.8499 -7.319267      9.165027  
1 1 1 -6  7   20 o 54.659  1.8358 147.798  9.9040  159.216  14.004  136.372  14.009  56.672  2.5035 52.359  2.7201 4.313484       3.696792  
1 1 1 -6  7   21 o 113.803 1.8626 640.932  20.922  639.994  29.349  641.901  29.832  113.566 2.6183 113.726 2.6576 -0.1596298     3.730717  
1 1 1 -6  8   1  o 113.256 1.7409 633.187  19.461  625.110  27.639  641.130  27.407  112.517 2.4887 113.951 2.4367 -1.433846      3.482992  
1 1 1 -6  8   2  f 24.547  0.9501 29.740   2.3021  32.777   2.9103  24.664   3.7627  25.770  1.1442 22.286  1.7240 3.483999       2.069122  
1 1 1 -6  8   3  o 291.481 3.8044 4198.12  109.453 4216.47  154.814 4179.79  154.766 291.940 5.3726 290.664 5.3945 1.275635       7.613491  
1 1 1 -6  8   4  o 81.692  1.4151 329.410  11.411  339.088  15.594  318.257  16.741  82.877  1.9063 80.288  2.1125 2.589066       2.845479  
1 1 1 -6  8   5  o 135.495 2.2049 906.472  29.488  925.337  41.669  887.546  41.735  136.866 3.0845 134.039 3.1546 2.826797       4.411950  
1 1 1 -6  8   6  o 221.786 2.7373 2429.60  59.922  2457.88  84.834  2401.43  84.652  222.982 3.8545 220.404 3.8912 2.578842       5.477086  
1 1 1 -6  8   7  o 338.815 4.8966 5682.74  163.752 5782.63  269.629 5624.36  206.120 340.906 8.0131 336.759 6.2011 4.146851       10.13224  
1 1 1 -6  8   8  o 64.363  1.2517 204.489  7.9517  195.260  11.241  213.732  11.249  62.885  1.8111 65.794  1.7322 -2.908714      2.506124  
1 1 1 -6  8   9  o 89.473  1.3728 395.212  12.124  391.324  17.799  398.578  16.560  89.015  2.0259 89.841  1.8674 -0.8259811     2.755244  
1 1 1 -6  8   10 o 203.656 3.4557 2051.71  69.465  2067.57  98.238  2035.85  98.239  204.206 4.8739 202.626 4.9119 1.579956       6.919707  
1 1 1 -6  8   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  8   12 o 131.293 9.2117 871.106  118.620 871.106  118.620 0.0000   0.0000  131.293 9.2117 ?       ?      0.000000       9.211742  
1 1 1 -6  8   13 f 141.393 2.8282 988.529  39.470  1023.79  51.023  935.993  62.284  143.807 3.5946 137.369 4.5936 6.438324       5.832889  
1 1 1 -6  8   14 o 32.173  1.3960 51.110   4.4332  50.604   4.9837  53.030   9.7031  32.011  1.5773 32.600  3.0510 -0.5884094     3.434617  
1 1 1 -6  8   15 o 109.435 1.6976 591.506  18.336  597.192  27.104  586.708  24.899  109.908 2.4984 108.952 2.3153 0.9556732      3.406321  
1 1 1 -6  8   16 o 100.926 1.6273 503.125  16.211  503.399  22.952  502.853  22.898  100.912 2.3044 100.857 2.3002 0.5439758E-01  3.255913  
1 1 1 -6  8   17 o 34.146  2.3122 57.925   7.7471  60.504   11.180  55.542   10.745  34.788  3.2953 33.315  3.3116 1.472618       4.671737  
1 1 1 -6  8   18 o 20.148  1.5746 20.181   3.1065  19.719   3.2706  24.438   9.9342  19.905  1.6804 21.717  4.7654 -1.812027      5.053016  
1 1 1 -6  8   19 o 73.189  1.4983 264.736  10.824  258.375  14.469  272.821  16.311  72.261  2.0286 74.234  2.2261 -1.972878      3.011787  
1 1 1 -6  8   20 o 105.101 1.8337 546.523  19.023  522.990  26.386  571.994  27.450  102.682 2.6034 107.388 2.5897 -4.705795      3.672108  
1 1 1 -6  8   21 o 109.173 3.4802 594.143  37.502  569.183  40.220  760.328  103.779 106.747 3.8172 120.035 8.8210 -13.28807      9.611554  
1 1 1 -6  9   1  f 142.660 1.8795 1004.75  26.466  997.137  37.520  1012.29  37.337  142.092 2.6752 143.169 2.6421 -1.076584      3.760000  
1 1 1 -6  9   2  o 293.516 3.8156 4257.95  110.543 4267.35  156.344 4248.55  156.318 293.627 5.3945 292.978 5.4056 0.6492004      7.636807  
1 1 1 -6  9   3  o 46.925  1.0680 108.684  4.9466  108.918  7.1830  108.473  6.8221  46.973  1.5493 46.877  1.4744 0.9545898E-01  2.138738  
1 1 1 -6  9   4  o 402.790 5.0990 8029.67  202.719 8145.14  286.731 7914.27  286.645 405.114 7.1707 399.299 7.2730 5.814850       10.21352  
1 1 1 -6  9   5  o 33.214  1.8547 54.636   6.0560  51.492   9.0164  57.219   8.1742  32.158  2.8708 33.949  2.4560 -1.791645      3.778012  
1 1 1 -6  9   6  o 69.243  1.3387 236.682  9.1494  242.021  13.249  231.814  12.650  70.011  1.9173 68.520  1.8704 1.491402       2.678517  
1 1 1 -6  9   7  o 84.104  1.4166 349.196  11.760  348.922  16.891  349.453  16.383  84.058  2.0358 84.123  1.9731 -0.6560516E-01 2.835073  
1 1 1 -6  9   8  f 47.702  1.0342 112.320  4.8695  102.576  7.1204  120.881  6.6744  45.580  1.5827 49.483  1.3665 -3.902740      2.090997  
1 1 1 -6  9   9  o 123.880 2.3225 758.153  28.398  761.398  40.645  755.058  39.693  124.078 3.3188 123.565 3.2545 0.5127029      4.648252  
1 1 1 -6  9   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  9   11 f 166.699 9.6468 1405.03  158.048 0.0000   0.0000  1405.03  158.048 ?       ?      166.699 9.6468 0.000000       9.646797  
1 1 1 -6  9   12 o 159.484 2.7265 1257.52  42.919  1232.25  60.696  1282.80  60.698  157.726 3.8987 160.940 3.8210 -3.214066      5.458948  
1 1 1 -6  9   13 f 53.614  1.3574 141.924  7.1831  145.584  11.016  139.217  9.4741  54.284  2.0560 53.090  1.8080 1.193855       2.737895  
1 1 1 -6  9   14 o 140.889 2.1058 980.794  29.284  970.086  40.129  992.993  42.832  140.043 2.9031 141.668 3.0631 -1.625565      4.220246  
1 1 1 -6  9   15 o 41.702  1.3016 85.868   5.3577  88.691   6.2580  78.121   10.368  42.378  1.4961 39.656  2.6643 2.722546       3.055635  
1 1 1 -6  9   16 o 80.762  1.6823 322.201  13.410  301.331  21.499  335.491  17.156  78.037  2.7912 82.388  2.1097 -4.350677      3.498831  
1 1 1 -6  9   17 f 92.804  1.6230 425.507  14.867  438.557  21.286  413.078  20.774  94.166  2.2902 91.389  2.3030 2.777420       3.247844  
1 1 1 -6  9   18 o 85.140  1.5571 358.196  13.085  368.544  18.450  347.721  18.562  86.310  2.1657 83.828  2.2434 2.481194       3.118155  
1 1 1 -6  9   19 o 62.087  1.3743 190.482  8.4222  195.003  11.734  185.677  12.096  62.783  1.8935 61.255  2.0006 1.528282       2.754586  
1 1 1 -6  9   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  9   21 f 52.322  3.5548 137.207  18.249  138.304  47.856  137.020  19.741  50.067  10.034 52.216  3.8577 -2.149010      10.74957  
1 1 1 -6  10  1  o 78.739  1.3146 306.039  10.217  330.205  14.575  282.693  14.326  81.780  1.8056 75.666  1.9181 6.114059       2.634289  
1 1 1 -6  10  2  o 436.719 5.0641 9443.66  218.292 9691.93  308.814 9195.73  308.609 441.727 7.0829 430.198 7.2679 11.52933       10.14835  
1 1 1 -6  10  3  o 57.213  1.2203 161.574  6.8909  162.621  10.061  160.649  9.4577  57.391  1.7760 57.044  1.6798 0.3478012      2.444528  
1 1 1 -6  10  4  o 142.884 2.0991 1008.17  29.604  1024.71  42.171  992.101  41.567  144.008 2.9669 141.698 2.9720 2.310196       4.199418  
1 1 1 -6  10  5  o 216.612 3.0303 2318.76  64.789  2351.52  87.248  2278.48  96.735  218.021 4.0544 214.538 4.5682 3.482605       6.107899  
1 1 1 -6  10  6  o 70.115  1.3509 242.691  9.3488  232.071  13.625  252.140  12.852  68.552  2.0136 71.458  1.8221 -2.906868      2.715619  
1 1 1 -6  10  7  o 124.594 2.7505 767.147  33.825  756.224  47.870  778.039  47.803  123.618 3.9232 125.394 3.8623 -1.775581      5.505357  
1 1 1 -6  10  8  o 135.452 6.4384 912.833  86.080  914.478  121.887 911.195  121.584 134.706 9.2227 134.465 9.2164 0.2413025      13.03843  
1 1 1 -6  10  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  10  10 o 33.784  1.0829 56.342   3.6109  49.948   5.1069  62.735   5.1063  31.761  1.6346 35.645  1.4514 -3.883493      2.185917  
1 1 1 -6  10  11 o 80.800  7.4314 329.201  58.603  337.015  104.395 325.606  70.813  79.827  13.745 79.923  9.1410 -0.9663391E-01 16.50741  
1 1 1 -6  10  12 o 142.512 2.0630 1003.42  29.019  974.412  40.157  1035.12  41.983  140.362 2.8985 144.664 2.9402 -4.301926      4.128738  
1 1 1 -6  10  13 o 53.860  1.2186 143.220  6.4785  142.067  8.9508  144.488  9.3888  53.632  1.6908 54.086  1.7587 -0.4534607     2.439659  
1 1 1 -6  10  14 o 31.804  2.3197 50.262   7.2318  52.838   9.9712  47.402   10.504  32.524  3.1454 30.738  3.5260 1.786219       4.725064  
1 1 1 -6  10  15 o 108.345 1.6784 579.838  17.949  580.312  25.309  579.359  25.459  108.341 2.3667 108.251 2.3827 0.9029388E-01  3.358348  
1 1 1 -6  10  16 o 27.237  1.4647 36.746   3.9232  32.220   9.9390  37.582   4.2699  25.147  4.1489 27.538  1.5775 -2.390575      4.438722  
1 1 1 -6  10  17 o 36.765  1.1544 66.745   4.1889  66.737   5.9298  66.754   5.9184  36.751  1.6347 36.756  1.6313 -0.4657745E-02 2.309407  
1 1 1 -6  10  18 o 38.352  2.9442 73.367   11.060  78.757   15.775  68.157   15.511  39.554  4.1001 36.715  4.3657 2.839306       5.989150  
1 1 1 -6  10  19 o 53.694  8.0371 151.660  41.285  130.758  71.273  162.215  50.647  47.442  14.150 54.837  9.7127 -7.394951      17.16274  
1 1 1 -6  10  20 o 25.025  1.2909 31.032   3.1777  31.786   3.2659  17.622   13.769  25.326  1.3109 18.986  6.2980 6.340055       6.433010  
1 1 1 -6  10  21 o 34.839  1.7663 60.227   6.0540  59.759   6.1309  78.493   38.336  34.700  1.7962 37.467  10.125 -2.766994      10.28356  
1 1 1 -6  11  1  o 35.060  1.1503 60.678   3.9805  64.853   4.8415  51.969   6.9929  36.245  1.3533 32.363  2.2023 3.882240       2.584845  
1 1 1 -6  11  2  o 186.500 2.7115 1718.65  49.914  1733.74  74.956  1706.63  66.906  187.176 4.0572 185.755 3.6491 1.421082       5.456809  
1 1 1 -6  11  3  o 155.635 2.4605 1196.63  37.798  1224.26  53.448  1168.99  53.462  157.346 3.4415 153.746 3.5230 3.599915       4.924930  
1 1 1 -6  11  4  o 160.023 2.2522 1264.88  35.574  1279.01  50.286  1250.72  50.331  160.846 3.1674 159.054 3.2060 1.791672       4.506738  
1 1 1 -6  11  5  o 101.450 2.0131 508.311  20.158  498.399  28.284  518.543  28.736  100.419 2.8536 102.429 2.8423 -2.009872      4.027624  
1 1 1 -6  11  6  o 128.655 6.5442 825.722  82.829  853.762  117.140 797.685  117.136 130.164 9.1764 125.699 9.5116 4.464928       13.21649  
1 1 1 -6  11  7  o 112.170 6.3718 628.163  70.255  632.274  99.329  624.047  99.383  111.885 9.0725 111.131 9.1414 0.7538910      12.87927  
1 1 1 -6  11  8  o 109.961 1.7540 597.141  19.037  606.206  27.055  588.253  26.791  110.754 2.4749 109.101 2.4879 1.653130       3.509220  
1 1 1 -6  11  9  o 155.199 2.0635 1189.95  31.610  1221.93  44.724  1158.03  44.683  157.195 2.8825 153.021 2.9584 4.173615       4.130515  
1 1 1 -6  11  10 o 59.115  1.3819 172.549  8.0633  171.800  11.299  173.327  11.510  58.973  1.9411 59.234  1.9687 -0.2606964     2.764755  
1 1 1 -6  11  11 f 54.760  1.5339 148.080  8.2909  149.194  11.574  146.906  11.883  54.949  2.1339 54.524  2.2080 0.4253502      3.070615  
1 1 1 -6  11  12 o 166.184 3.1818 1366.78  52.191  1336.68  55.294  1612.60  158.022 164.310 3.4094 178.564 8.9947 -14.25372      9.619157  
1 1 1 -6  11  13 o 44.254  1.7935 96.743   7.8340  89.885   10.695  104.683  11.507  42.560  2.5579 45.942  2.5476 -3.382336      3.610127  
1 1 1 -6  11  14 o 53.284  1.2857 140.193  6.7619  129.529  9.3624  151.822  9.7766  51.203  1.8525 55.437  1.7867 -4.233418      2.573732  
1 1 1 -6  11  15 o 72.610  1.4773 260.393  10.587  260.374  14.035  260.418  16.129  72.587  1.9589 72.578  2.2514 0.9239197E-02  2.984320  
1 1 1 -6  11  16 o 70.339  1.5702 244.409  10.901  253.363  15.320  235.225  15.515  71.584  2.1683 68.967  2.2792 2.616760       3.145784  
1 1 1 -6  11  17 o 77.764  9.7059 316.297  72.877  316.297  72.877  0.0000   0.0000  77.764  9.7059 ?       ?      0.000000       9.705934  
1 1 1 -6  11  18 o 33.694  9.9806 60.714   35.549  60.714   35.549  0.0000   0.0000  33.694  9.9806 ?       ?      0.000000       9.980619  
1 1 1 -6  11  19 o 31.189  3.2714 48.924   9.9209  49.872   13.804  47.910   14.268  31.210  4.6208 30.511  4.9038 0.6990662      6.737822  
1 1 1 -6  11  20 o 25.126  1.4837 31.327   3.6633  31.592   3.8048  27.963   13.557  25.228  1.5353 23.014  5.9309 2.214310       6.126407  
1 1 1 -6  11  21 o 39.040  1.6892 75.433   6.5092  89.429   15.761  72.555   7.1473  42.095  3.8353 38.274  1.8919 3.820484       4.276585  
1 1 1 -6  12  1  o 183.258 3.8690 1662.55  69.984  0.0000   0.0000  1662.55  69.984  ?       ?      183.258 3.8690 0.000000       3.869013  
1 1 1 -6  12  2  o 72.408  1.3255 258.841  9.4734  265.416  13.798  252.978  13.030  73.308  1.9070 71.571  1.8444 1.736534       2.652993  
1 1 1 -6  12  3  o 105.002 6.3567 550.628  65.571  556.953  92.568  544.258  92.896  104.985 9.0207 103.733 9.1673 1.251610       12.86121  
1 1 1 -6  12  4  o 138.769 9.4739 972.605  128.989 970.453  184.518 974.662  180.389 136.870 13.849 137.338 13.481 -0.4678345     19.32686  
1 1 1 -6  12  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  12  6  o 217.566 2.9215 2340.63  62.738  2350.51  88.788  2330.78  88.661  217.813 4.1299 216.894 4.1415 0.9185181      5.848723  
1 1 1 -6  12  7  o 72.334  1.3644 258.338  9.7410  247.366  13.851  269.076  13.702  70.764  1.9830 73.808  1.8809 -3.043549      2.733134  
1 1 1 -6  12  8  o 96.078  1.6505 455.877  15.652  466.056  22.141  445.708  22.129  97.112  2.3098 94.966  2.3608 2.146423       3.302861  
1 1 1 -6  12  9  o 80.990  1.4141 323.892  11.305  311.325  15.707  337.396  16.282  79.383  2.0047 82.640  1.9961 -3.257332      2.829003  
1 1 1 -6  12  10 o 52.724  1.2708 137.248  6.6135  133.156  9.2076  141.609  9.5051  51.920  1.7967 53.543  1.7986 -1.622505      2.542238  
1 1 1 -6  12  11 o 79.490  1.4616 312.031  11.467  309.312  16.323  314.681  16.114  79.118  2.0903 79.804  2.0457 -0.6857224     2.924725  
1 1 1 -6  12  12 o 67.507  1.3897 225.034  9.2597  238.055  13.256  212.626  12.940  69.413  1.9347 65.599  1.9986 3.814476       2.781629  
1 1 1 -6  12  13 o 67.753  2.0727 226.854  13.861  223.865  14.208  285.835  63.123  67.302  2.1388 74.740  8.7205 -7.438416      8.978936  
1 1 1 -6  12  14 o 22.693  1.3791 25.525   3.0744  25.204   3.2037  29.262   10.932  22.544  1.4474 23.835  4.8123 -1.291389      5.025277  
1 1 1 -6  12  15 o 43.198  2.5739 92.653   10.925  85.870   14.697  101.028  16.332  41.453  3.6286 44.976  3.7121 -3.523289      5.190994  
1 1 1 -6  12  16 o 96.712  9.4122 483.740  88.709  0.0000   0.0000  483.740  88.709  ?       ?      96.712  9.4122 0.000000       9.412207  
1 1 1 -6  12  17 o 144.249 2.3025 1029.89  32.783  993.937  44.359  1073.16  48.664  141.523 3.1756 147.008 3.3538 -5.485107      4.618667  
1 1 1 -6  12  18 o 26.697  0.9226 35.194   2.4312  30.731   4.0897  37.633   3.0234  24.874  1.6755 27.602  1.1097 -2.728888      2.009717  
1 1 1 -6  12  19 o 75.404  1.9504 281.513  14.516  269.272  16.896  316.017  28.367  73.696  2.3228 79.578  3.6116 -5.882004      4.294016  
1 1 1 -6  12  20 o 105.903 1.9529 555.540  20.413  534.142  28.098  579.459  29.707  103.657 2.7462 107.953 2.7880 -4.295685      3.913401  
1 1 1 -6  12  21 o 11.719  4.8529 2.0736   9.1745  -4.5068  12.947  8.7097   13.002  12.051  5.3719 15.586  5.9973 -3.535394      8.051399  
1 1 1 -6  13  1  o 89.272  6.3871 399.192  55.909  396.283  78.838  402.135  79.297  88.258  9.1845 88.919  9.1665 -0.6608658     12.97609  
1 1 1 -6  13  2  o 126.745 6.4664 802.915  80.627  772.231  113.827 833.812  114.220 123.426 9.4144 128.398 9.0710 -4.971619      13.07345  
1 1 1 -6  13  3  o 98.571  6.3299 486.165  61.260  476.517  86.735  495.769  86.535  96.858  9.1822 98.876  8.9643 -2.017685      12.83245  
1 1 1 -6  13  4  o 21.265  2.9413 22.788   6.0082  18.576   8.7449  26.553   8.2688  18.977  4.6946 22.853  3.7992 -3.876335      6.039307  
1 1 1 -6  13  5  o 118.370 1.9473 692.156  22.751  718.796  32.193  665.572  32.158  120.572 2.7050 116.014 2.8083 4.558182       3.899236  
1 1 1 -6  13  6  o 198.725 2.5260 1952.25  49.548  1951.39  70.150  1953.10  69.992  198.515 3.5801 198.603 3.5705 -0.8842468E-01 5.056273  
1 1 1 -6  13  7  o 44.412  1.0154 97.369   4.4513  100.771  5.7386  92.230   7.0529  45.177  1.2869 43.214  1.6535 1.963387       2.095316  
1 1 1 -6  13  8  o 81.600  1.4337 328.797  11.547  316.973  16.071  341.417  16.603  80.096  2.0328 83.127  2.0235 -3.031464      2.868242  
1 1 1 -6  13  9  o 169.360 2.3571 1417.82  39.402  1409.43  55.548  1426.32  55.900  168.723 3.3355 169.731 3.3367 -1.007904      4.717952  
1 1 1 -6  13  10 o 67.186  1.2351 222.875  8.1904  223.600  11.586  222.151  11.580  67.280  1.7446 67.062  1.7495 0.2185516      2.470706  
1 1 1 -6  13  11 o 117.703 1.6969 684.333  19.714  688.800  27.752  679.784  28.008  118.035 2.3821 117.257 2.4200 0.7784271      3.395653  
1 1 1 -6  13  12 o 127.512 1.8674 803.348  23.503  794.269  33.065  812.619  33.413  126.717 2.6436 128.173 2.6411 -1.455650      3.736877  
1 1 1 -6  13  13 f 81.374  1.3935 327.017  11.193  311.511  15.832  342.513  15.827  79.392  2.0203 83.254  1.9260 -3.862282      2.791215  
1 1 1 -6  13  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  13  15 f 132.118 6.7390 880.354  87.588  905.710  124.566 855.558  123.181 132.580 9.5835 128.734 9.7671 3.845505       13.68355  
1 1 1 -6  13  16 o 100.774 1.7270 501.948  17.178  497.136  24.069  506.944  24.525  100.215 2.4333 101.196 2.4554 -0.9809723     3.456824  
1 1 1 -6  13  17 o 89.040  1.6137 391.907  14.182  353.241  20.363  428.330  19.764  84.445  2.4431 93.027  2.1525 -8.581894      3.256073  
1 1 1 -6  13  18 o 158.875 2.5709 1252.16  40.315  1168.48  60.604  1318.57  53.995  152.908 4.0155 162.736 3.3615 -9.828125      5.236753  
1 1 1 -6  13  19 o 127.046 2.1872 800.182  27.427  769.041  37.845  834.632  39.805  124.273 3.0853 129.453 3.1152 -5.179909      4.384471  
1 1 1 -6  13  20 o 62.216  2.0167 191.848  12.384  185.387  13.475  226.989  31.424  61.130  2.2333 66.860  4.7935 -5.729855      5.288166  
1 1 1 -6  13  21 o 91.571  2.0314 415.838  18.361  420.170  25.438  411.126  26.529  91.845  2.8060 90.804  2.9600 1.040985       4.078600  
1 1 1 -6  14  1  o 85.541  2.0228 361.526  17.079  383.021  25.291  343.505  23.157  87.995  2.9119 83.339  2.8151 4.656418       4.050231  
1 1 1 -6  14  2  o 200.468 2.8669 1987.79  56.727  2007.24  94.168  1976.71  71.069  201.055 4.7452 199.779 3.6041 1.276184       5.958716  
1 1 1 -6  14  3  o 43.373  7.2086 96.573   29.777  99.465   42.367  93.751   41.860  43.455  10.074 42.170  10.174 1.285110       14.31767  
1 1 1 -6  14  4  o 113.783 1.7019 639.456  19.114  651.492  28.558  629.687  25.727  114.794 2.5204 112.872 2.3092 1.921371       3.418325  
1 1 1 -6  14  5  o 152.086 2.1837 1143.07  32.781  1161.11  46.254  1124.85  46.465  153.182 3.0592 150.763 3.1225 2.419250       4.371323  
1 1 1 -6  14  6  o 124.606 1.9019 767.079  23.392  783.431  33.327  751.203  32.839  125.862 2.6827 123.244 2.6996 2.617653       3.805868  
1 1 1 -6  14  7  o 126.185 1.8979 786.649  23.638  771.915  33.229  801.744  33.633  124.929 2.6948 127.322 2.6763 -2.392830      3.797915  
1 1 1 -6  14  8  o 42.668  1.1248 89.885   4.7373  95.848   7.5216  85.964   6.0990  44.049  1.7300 41.722  1.4810 2.327862       2.277342  
1 1 1 -6  14  9  o 165.752 2.3366 1358.23  38.228  1366.78  53.874  1349.56  54.251  166.133 3.2854 165.076 3.3296 1.057098       4.677663  
1 1 1 -6  14  10 o 115.887 1.8366 663.514  21.008  646.434  29.357  681.440  30.076  114.322 2.6017 117.377 2.5960 -3.055153      3.675298  
1 1 1 -6  14  11 o 108.094 1.7239 577.231  18.393  537.625  25.503  620.161  26.552  104.263 2.4782 111.988 2.4021 -7.724709      3.451270  
1 1 1 -6  14  12 o 41.668  2.0377 85.815   8.3806  139.212  45.282  83.922   8.5279  51.608  9.2282 41.150  2.1067 10.45832       9.465586  
1 1 1 -6  14  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  14  14 o 52.361  4.0476 137.055  20.756  164.816  54.854  132.416  22.424  55.734  10.353 51.390  4.4651 4.344131       11.27441  
1 1 1 -6  14  15 o 128.571 2.0412 817.483  25.904  797.260  36.354  838.338  36.919  126.837 2.9039 130.069 2.8757 -3.231720      4.086807  
1 1 1 -6  14  16 o 44.785  1.3489 99.094   5.9628  104.654  8.3707  93.366   8.4960  46.003  1.8435 43.445  1.9813 2.558510       2.706278  
1 1 1 -6  14  17 o 37.491  1.6390 69.503   6.0652  66.408   20.375  69.804   6.3532  35.775  5.9813 37.569  1.7133 -1.793644      6.221822  
1 1 1 -6  14  18 o 31.335  1.5889 48.690   4.8982  48.179   5.1561  53.427   15.685  31.160  1.6827 32.159  5.1125 -0.9988670     5.382326  
1 1 1 -6  14  19 o 47.498  2.7111 112.558  12.658  93.563   17.634  132.747  18.180  42.948  4.2141 51.392  3.6067 -8.444260      5.546842  
1 1 1 -6  14  20 o 49.450  2.6251 121.968  12.767  114.531  19.018  128.068  17.225  47.554  4.0916 50.478  3.4784 -2.923409      5.370338  
1 1 1 -6  14  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  15  1  o 111.613 1.6545 615.311  18.227  591.471  25.631  639.705  25.927  109.382 2.3740 113.760 2.3090 -4.377838      3.311722  
1 1 1 -6  15  2  o 57.978  1.4310 165.995  8.1892  167.802  11.805  164.318  11.370  58.273  2.0524 57.667  1.9975 0.6060715      2.864008  
1 1 1 -6  15  3  o 109.608 1.6387 593.394  17.729  636.076  25.421  552.974  24.738  113.438 2.2704 105.761 2.3698 7.676987       3.281841  
1 1 1 -6  15  4  o 20.643  7.6000 17.108   20.379  14.224   26.784  21.072   31.404  21.724  8.5367 24.372  9.3342 -2.647898      12.64923  
1 1 1 -6  15  5  o 92.088  1.6298 418.869  14.814  428.345  20.947  409.387  20.955  93.087  2.2798 91.000  2.3329 2.086784       3.261930  
1 1 1 -6  15  6  o 107.503 1.7408 570.907  18.471  592.540  26.528  550.550  25.734  109.468 2.4552 105.516 2.4709 3.951324       3.483323  
1 1 1 -6  15  7  o 133.703 1.9966 883.402  26.349  890.699  37.058  875.941  37.472  134.169 2.7983 133.046 2.8535 1.123062       3.996616  
1 1 1 -6  15  8  o 138.277 2.0580 944.993  28.089  960.566  40.398  930.417  39.082  139.309 2.9380 137.112 2.8878 2.196854       4.119617  
1 1 1 -6  15  9  o 99.779  1.7485 491.869  17.220  487.854  24.349  495.886  24.357  99.317  2.4838 100.133 2.4644 -0.8159866     3.498948  
1 1 1 -6  15  10 o 118.285 1.7914 691.306  20.915  681.055  29.227  702.064  29.941  117.337 2.5236 119.131 2.5463 -1.793549      3.585017  
1 1 1 -6  15  11 o 102.763 6.5928 531.937  66.518  513.646  94.332  550.027  93.812  99.812  9.6975 103.496 9.2820 -3.683975      13.42376  
1 1 1 -6  15  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  15  13 o 87.919  1.5529 381.892  13.476  370.391  19.055  393.398  19.060  86.536  2.2309 89.189  2.1651 -2.652893      3.108777  
1 1 1 -6  15  14 o 52.281  2.1407 135.203  11.047  137.707  15.089  132.311  16.217  52.632  2.9160 51.548  3.2031 1.083721       4.331604  
1 1 1 -6  15  15 o 128.715 6.7058 841.183  84.900  794.241  121.058 886.617  119.098 122.939 10.065 130.494 9.3076 -7.554962      13.70865  
1 1 1 -6  15  16 o 57.501  1.5891 163.465  9.0191  160.441  11.121  169.274  15.415  56.939  1.9789 58.419  2.6734 -1.480274      3.326095  
1 1 1 -6  15  17 o 14.242  2.0431 10.249   2.7898  6.8046   13.946  10.392   2.8473  15.423  6.1284 14.339  2.0720 1.084941       6.469163  
1 1 1 -6  15  18 o 14.617  5.6669 7.2445   11.677  10.649   15.836  3.1869   17.287  17.159  6.6142 15.754  6.6036 1.405058       9.346376  
1 1 1 -6  15  19 o 23.688  4.6179 29.291   10.409  27.586   14.250  31.241   15.241  22.757  6.1831 24.163  6.3188 -1.405703      8.840717  
1 1 1 -6  15  20 o 40.855  8.9099 93.448   34.918  115.183  58.648  81.512   43.460  43.171  12.827 37.252  11.036 5.918575       16.92060  
1 1 1 -6  15  21 o 53.432  10.731 168.214  54.630  0.0000   0.0000  168.214  54.630  ?       ?      53.432  10.731 0.000000       10.73113  
1 1 1 -6  16  1  o 43.108  1.4725 91.780   6.2654  88.813   7.5394  98.403   11.264  42.398  1.8016 44.529  2.5737 -2.130844      3.141600  
1 1 1 -6  16  2  o 102.032 1.7139 514.297  17.261  500.194  24.364  528.508  24.457  100.571 2.4544 103.383 2.3967 -2.812187      3.430496  
1 1 1 -6  16  3  o 80.712  1.4800 321.737  11.791  342.642  17.216  303.269  16.182  83.261  2.0948 78.331  2.0929 4.929626       2.961199  
1 1 1 -6  16  4  o 121.822 1.8841 733.318  22.655  765.760  32.620  703.088  31.488  124.412 2.6564 119.210 2.6761 5.201988       3.770638  
1 1 1 -6  16  5  o 44.888  1.3954 99.508   6.1823  98.818   6.2358  139.225  47.301  44.731  1.4124 51.507  9.6588 -6.775787      9.761537  
1 1 1 -6  16  6  o 120.299 1.7762 715.026  21.090  726.584  29.897  703.576  29.755  121.200 2.4992 119.263 2.5277 1.937500       3.554566  
1 1 1 -6  16  7  o 49.668  1.7673 121.888  8.6641  124.721  12.212  119.017  12.295  50.215  2.4638 48.983  2.5518 1.231625       3.547103  
1 1 1 -6  16  8  o 77.723  1.6921 298.456  12.981  306.090  16.212  284.822  21.668  78.689  2.0874 75.848  2.8943 2.840874       3.568451  
1 1 1 -6  16  9  o 47.372  7.4293 115.695  33.595  108.545  47.028  123.147  48.008  45.028  10.733 48.079  10.417 -3.050179      14.95733  
1 1 1 -6  16  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  16  11 o 110.870 1.9356 607.640  21.182  603.467  29.273  612.226  30.689  110.404 2.6863 111.188 2.7964 -0.7836304     3.877608  
1 1 1 -6  16  12 o 122.678 1.9855 744.133  24.042  725.192  33.884  763.336  34.117  120.989 2.8374 124.139 2.7844 -3.149925      3.975401  
1 1 1 -6  16  13 o 67.780  1.4676 226.988  9.8183  217.263  13.620  237.508  14.166  66.274  2.0821 69.294  2.0712 -3.019920      2.936841  
1 1 1 -6  16  14 o 72.314  1.6095 258.475  11.488  258.121  16.162  258.838  16.333  72.209  2.2677 72.307  2.2885 -0.9815979E-01 3.221733  
1 1 1 -6  16  15 o 43.986  1.2001 95.583   5.2104  93.780   7.3322  97.423   7.4057  43.547  1.7059 44.385  1.6904 -0.8386612     2.401563  
1 1 1 -6  16  16 o 49.577  1.5759 121.557  7.7114  119.330  7.7992  218.743  51.525  49.119  1.6087 64.285  8.3153 -15.16616      8.469456  
1 1 1 -6  16  17 o 75.784  2.0452 284.648  15.299  267.914  20.664  304.944  22.758  73.375  2.8532 78.261  2.9462 -4.885345      4.101303  
1 1 1 -6  16  18 o 91.711  2.7511 418.806  24.903  401.389  30.009  457.326  44.630  89.577  3.3941 94.880  4.7810 -5.303177      5.863240  
1 1 1 -6  16  19 o 94.274  6.7313 466.107  62.224  466.909  88.501  465.322  87.504  91.247  9.9896 91.209  9.8776 0.3829956E-01  14.04841  
1 1 1 -6  16  20 o 48.636  1.3153 117.027  6.3143  123.826  8.9615  110.323  8.8984  49.973  1.8168 47.157  1.9117 2.815109       2.637344  
1 1 1 -6  17  1  o 119.258 1.9382 702.963  22.815  709.524  32.686  696.730  31.859  119.720 2.7661 118.641 2.7206 1.078369       3.879817  
1 1 1 -6  17  2  o 49.532  1.8386 121.243  8.9887  127.092  12.609  115.198  12.818  50.683  2.5204 48.168  2.7070 2.514618       3.698686  
1 1 1 -6  17  3  o 66.311  1.5477 217.211  10.130  224.457  14.604  210.493  14.062  67.375  2.1960 65.246  2.1836 2.128761       3.096825  
1 1 1 -6  17  4  o 72.812  1.4306 261.857  10.281  278.155  14.302  244.426  14.791  75.018  1.9315 70.312  2.1312 4.706650       2.876224  
1 1 1 -6  17  5  o 87.201  1.6405 375.677  14.120  395.830  20.332  356.905  19.623  89.462  2.3026 84.946  2.3404 4.515488       3.283205  
1 1 1 -6  17  6  o 97.307  2.3603 468.376  22.670  468.376  22.670  0.0000   0.0000  97.307  2.3603 ?       ?      0.000000       2.360312  
1 1 1 -6  17  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  17  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  17  9  o 28.153  1.0680 39.136   2.9678  25.040   4.1235  54.285   4.2748  22.428  1.8800 33.152  1.3064 -10.72413      2.289326  
1 1 1 -6  17  10 o 188.956 2.7110 1768.37  50.563  1680.45  71.240  1857.62  71.776  183.840 3.9260 193.348 3.7610 -9.507721      5.436810  
1 1 1 -6  17  11 o 141.566 2.1249 991.393  29.691  964.432  41.454  1019.79  42.547  139.463 3.0115 143.411 3.0058 -3.948273      4.254825  
1 1 1 -6  17  12 o 33.110  1.0415 54.135   3.4037  53.273   4.7675  55.031   4.8609  32.835  1.4710 33.372  1.4757 -0.5371857     2.083655  
1 1 1 -6  17  13 o 125.699 2.0790 781.947  25.795  770.614  36.477  793.282  36.481  124.606 2.9658 126.436 2.9233 -1.829544      4.164296  
1 1 1 -6  17  14 o 60.152  2.0491 179.124  12.166  174.467  16.633  184.482  17.841  59.279  2.8427 60.941  2.9661 -1.661507      4.108367  
1 1 1 -6  17  15 o 80.929  1.8331 324.181  14.643  315.186  20.180  334.184  21.282  79.687  2.5656 82.042  2.6281 -2.354889      3.672734  
1 1 1 -6  17  16 o 45.809  1.0020 103.673  4.5306  93.305   6.3919  114.140  6.4226  43.431  1.4911 48.046  1.3543 -4.614765      2.014312  
1 1 1 -6  17  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  17  18 o 65.184  7.0972 225.869  44.925  217.388  63.468  234.385  63.600  61.140  10.918 63.930  10.439 -2.789528      15.10546  
1 1 1 -6  17  19 o 24.466  4.9052 31.561   11.433  19.186   15.550  46.122   16.868  19.631  6.6942 29.334  6.0272 -9.703451      9.007767  
1 1 1 -6  17  20 o 89.769  2.0587 400.468  18.241  397.791  23.528  404.501  28.881  89.259  2.6705 89.755  3.2600 -0.4957504     4.214159  
1 1 1 -6  18  1  o 43.706  1.4280 94.369   6.1603  83.631   11.607  98.581   7.2686  40.979  2.8880 44.663  1.6488 -3.683884      3.325552  
1 1 1 -6  18  2  f 88.396  1.6176 386.124  14.113  394.283  20.259  378.430  19.673  89.267  2.2992 87.456  2.2790 1.811050       3.237315  
1 1 1 -6  18  3  o 112.981 1.8691 631.019  20.843  619.172  30.095  641.940  28.895  111.809 2.7270 113.869 2.5709 -2.059814      3.747782  
1 1 1 -6  18  4  f 23.221  1.2383 26.707   2.8280  28.946   3.9672  24.394   4.0322  24.144  1.6751 22.136  1.8628 2.007814       2.505182  
1 1 1 -6  18  5  f 48.972  7.4348 124.035  34.808  108.866  49.019  139.463  49.437  44.796  11.135 51.102  10.159 -6.306129      15.07251  
1 1 1 -6  18  6  o 84.406  6.5985 361.199  54.536  363.685  77.108  358.711  77.143  83.527  9.5230 82.910  9.6045 0.6168060      13.52533  
1 1 1 -6  18  7  o 186.885 3.3618 1733.56  62.012  1720.55  65.737  1838.75  186.880 186.111 3.5785 187.968 10.110 -1.857422      10.72445  
1 1 1 -6  18  8  o 113.551 1.9014 637.550  21.310  636.935  29.538  638.218  30.774  113.396 2.6391 113.493 2.7472 -0.9674835E-01 3.809440  
1 1 1 -6  18  9  o 118.386 2.0047 693.223  23.425  663.314  32.805  724.341  33.461  115.668 2.8734 120.884 2.8044 -5.217018      4.015085  
1 1 1 -6  18  10 o 36.798  1.2081 66.886   4.3879  58.876   6.1359  75.270   6.2773  34.459  1.8104 39.023  1.6298 -4.563873      2.435906  
1 1 1 -6  18  11 o 45.590  1.1078 102.655  4.9849  101.297  8.1766  103.458  6.2888  45.256  1.8305 45.757  1.3924 -0.5011978     2.299890  
1 1 1 -6  18  12 o 64.438  1.4468 205.228  9.2017  186.948  12.755  225.064  13.287  61.449  2.1030 67.434  1.9963 -5.984570      2.899628  
1 1 1 -6  18  13 o 79.146  1.9753 310.131  15.431  303.022  21.257  318.052  22.437  78.116  2.7569 80.015  2.8409 -1.898552      3.958698  
1 1 1 -6  18  14 o 34.849  0.7965 59.972   2.7398  56.588   3.8530  63.433   3.8968  33.841  1.1535 35.831  1.1018 -1.990158      1.595195  
1 1 1 -6  18  15 o 9.7351  1.5747 4.8088   1.4614  7.8667   1.9961  1.2756   2.1456  12.498  1.6591 6.3043  2.4333 6.193738       2.945094  
1 1 1 -6  18  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  18  17 o 73.154  2.9750 267.383  21.482  219.195  65.126  273.266  22.755  60.936  11.242 73.910  3.1192 -12.97432      11.66697  
1 1 1 -6  18  18 o 20.238  1.5404 20.401   3.0538  8.8280   12.492  21.136   3.1494  15.331  5.8835 20.599  1.5606 -5.268245      6.086926  
1 1 1 -6  18  19 o 55.515  2.5744 153.770  14.106  141.733  18.968  168.664  21.101  52.889  3.6559 57.687  3.7257 -4.798599      5.219837  
1 1 1 -6  19  1  o 102.182 1.6814 516.289  16.958  531.762  23.713  500.092  24.261  103.612 2.3187 100.459 2.4468 3.153618       3.370887  
1 1 1 -6  19  2  o 108.552 6.7169 600.694  71.614  597.756  101.050 603.659  101.506 106.464 9.7234 106.996 9.7175 -0.5319824     13.74684  
1 1 1 -6  19  3  o 87.779  6.5606 392.570  56.431  358.741  80.061  425.970  79.552  82.171  10.083 90.218  9.0558 -8.047417      13.55244  
1 1 1 -6  19  4  o 56.641  7.0343 165.435  38.479  171.476  54.523  159.440  54.314  56.452  10.159 54.233  10.526 2.219936       14.62866  
1 1 1 -6  19  5  o 94.825  1.7195 444.578  16.094  468.293  22.249  418.547  23.309  97.249  2.3179 91.903  2.5696 5.345291       3.460547  
1 1 1 -6  19  6  o 61.777  1.5303 188.622  9.3314  198.925  14.475  181.297  12.206  63.381  2.3138 60.530  2.0430 2.851013       3.086702  
1 1 1 -6  19  7  o 16.460  0.8206 13.376   1.3331  12.182   1.8244  14.745   1.9528  15.659  1.1893 17.239  1.1543 -1.579947      1.657354  
1 1 1 -6  19  8  o 37.411  1.0613 69.123   3.9189  68.685   6.2778  69.403   5.0163  37.269  1.7066 37.477  1.3561 -0.2079353     2.179759  
1 1 1 -6  19  9  o 71.265  1.3002 250.950  9.1457  253.842  12.925  248.051  12.943  71.633  1.8281 70.808  1.8519 0.8241119      2.602166  
1 1 1 -6  19  10 o 58.573  1.1585 169.489  6.6979  164.658  9.4567  174.352  9.4878  57.700  1.6605 59.378  1.6189 -1.677341      2.319014  
1 1 1 -6  19  11 o 27.597  0.8421 37.609   2.2937  42.958   3.2062  32.001   3.2829  29.488  1.1015 25.412  1.3133 4.076620       1.714125  
1 1 1 -6  19  12 o 54.645  1.3949 147.635  7.5233  150.055  10.562  145.143  10.719  55.044  1.9440 54.129  2.0063 0.9146042      2.793634  
1 1 1 -6  19  13 o 105.943 1.8861 555.988  19.723  561.347  27.686  550.465  28.104  106.262 2.6396 105.208 2.7064 1.054672       3.780481  
1 1 1 -6  19  14 o 88.157  6.8125 406.843  58.818  412.164  83.179  401.521  83.184  86.027  9.9813 84.745  10.146 1.282448       14.23299  
1 1 1 -6  19  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  19  16 o 16.746  1.9049 14.091   3.0926  13.837   3.1558  20.244   15.535  16.583  1.9663 19.977  6.6914 -3.393684      6.974377  
1 1 1 -6  19  17 o 51.583  1.0882 131.562  5.5404  114.915  7.8036  148.482  7.8674  48.151  1.6419 54.759  1.4556 -6.607712      2.194246  
1 1 1 -6  19  18 o 56.326  4.2793 162.367  23.614  188.902  58.480  157.198  25.811  55.777  11.013 55.173  4.7872 0.6041260      12.00870  
1 1 1 -6  19  19 o 21.929  8.1975 23.264   23.883  20.068   30.263  28.541   38.885  22.340  8.9764 25.227  10.161 -2.887020      13.55845  
1 1 1 -6  20  1  o 58.726  6.8960 179.962  39.212  185.124  55.705  174.892  55.206  57.875  10.120 56.083  10.354 1.791420       14.47840  
1 1 1 -6  20  2  o 32.136  4.1893 52.604   12.972  59.048   19.157  47.147   17.630  33.588  5.9986 29.887  6.1803 3.701208       8.612710  
1 1 1 -6  20  3  o 74.784  1.7303 276.726  12.772  280.544  16.953  271.714  19.422  75.225  2.2832 73.972  2.6601 1.253197       3.505581  
1 1 1 -6  20  4  o 84.378  1.6013 352.134  13.336  378.602  19.518  328.953  18.265  87.396  2.2626 81.463  2.2716 5.933151       3.206156  
1 1 1 -6  20  5  o 93.529  1.8956 433.035  17.499  442.987  24.816  423.192  24.680  94.458  2.6617 92.314  2.7085 2.144348       3.797489  
1 1 1 -6  20  6  o 63.102  1.4431 196.861  8.9879  215.370  12.454  176.743  12.984  65.957  1.9130 59.720  2.2027 6.237316       2.917465  
1 1 1 -6  20  7  o 54.433  1.3932 146.477  7.4855  147.084  10.617  145.877  10.555  54.499  1.9737 54.276  1.9703 0.2238007      2.788826  
1 1 1 -6  20  8  o 38.215  1.2753 72.181   4.8105  82.861   6.7508  61.164   6.8565  40.923  1.6713 35.086  1.9881 5.837723       2.597221  
1 1 1 -6  20  9  o 39.558  1.5361 77.404   5.9976  68.619   13.818  79.443   6.6574  36.833  3.8581 40.067  1.6834 -3.233452      4.209382  
1 1 1 -6  20  10 o 77.074  1.8914 294.246  14.389  281.797  19.401  309.462  21.450  75.301  2.6103 78.880  2.7550 -3.578537      3.795234  
1 1 1 -6  20  11 o 16.844  5.3112 14.329   9.8658  8.5305   13.179  21.719   14.880  15.584  6.0264 20.571  6.5265 -4.987417      8.883253  
1 1 1 -6  20  12 f 39.765  8.2009 86.963   31.119  85.561   43.566  88.425   44.467  38.235  10.971 38.816  11.067 -0.5805473     15.58326  
1 1 1 -6  20  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  20  14 o 43.302  1.3550 92.791   5.7914  98.868   8.1491  86.590   8.2321  44.645  1.8493 41.764  1.9970 2.881660       2.721737  
1 1 1 -6  20  15 o 36.406  0.9406 65.503   3.3800  66.565   4.7637  64.428   4.7965  36.675  1.3160 36.079  1.3469 0.5959015      1.883060  
1 1 1 -6  20  16 o 21.136  5.3675 23.986   11.219  37.815   15.179  7.3380   16.655  26.420  5.9622 16.288  6.6186 10.13241       8.908054  
1 1 1 -6  20  17 o 37.092  1.3475 68.126   4.9335  62.966   6.9151  73.475   7.0406  35.537  1.9793 38.463  1.8545 -2.926254      2.712333  
1 1 1 -6  20  18 o 53.204  1.4999 140.344  7.8767  142.921  10.975  137.607  11.311  53.578  2.0753 52.548  2.1808 1.029457       3.010455  
1 1 1 -6  21  1  o 110.093 1.9103 600.919  20.759  615.406  29.105  585.917  29.617  111.177 2.6523 108.438 2.7671 2.738441       3.832917  
1 1 1 -6  21  2  o 21.811  1.2325 23.597   2.6425  30.656   3.7182  16.393   3.7563  24.841  1.5238 18.048  2.1509 6.792978       2.635982  
1 1 1 -6  21  3  o 45.523  1.3312 102.491  5.9813  97.490   8.3898  107.660  8.5295  44.348  1.9167 46.610  1.8540 -2.262436      2.666649  
1 1 1 -6  21  4  o 65.894  1.7692 215.080  11.507  215.504  14.403  214.330  19.134  65.890  2.2146 65.562  2.9567 0.3275833      3.694148  
1 1 1 -6  21  5  o 22.130  1.0861 24.203   2.3723  16.776   15.767  24.375   2.3997  18.980  6.7243 22.208  1.0947 -3.228783      6.812795  
1 1 1 -6  21  6  o 30.591  3.7163 47.589   10.991  46.610   15.619  48.549   15.469  29.771  5.5183 30.453  5.3411 -0.6812820     7.679763  
1 1 1 -6  21  7  o 22.474  1.1598 25.034   2.5641  35.481   3.6903  15.283   3.5653  26.745  1.4028 17.425  2.1165 9.320171       2.539166  
1 1 1 -6  21  8  o 54.266  1.2440 145.613  6.6633  149.841  10.793  143.008  8.4700  54.967  1.9894 53.746  1.5966 1.221096       2.550874  
1 1 1 -6  21  9  o 4.0018  1.8930 -2.3351  1.9787  4.5575   17.956  -2.4198  1.9908  16.228  6.7602 3.9871  1.8898 12.24074       7.019383  
1 1 1 -6  21  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  21  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -6  21  12 o 69.475  1.5898 239.147  10.902  219.735  15.146  260.019  15.705  66.451  2.3092 72.313  2.2004 -5.862526      3.189695  
1 1 1 -6  21  13 o 40.109  2.8495 80.850   11.207  81.015   15.210  80.655   16.578  39.834  3.9191 39.608  4.3100 0.2259331      5.825452  
1 1 1 -6  21  14 o 39.700  3.2230 79.690   12.520  79.497   15.435  80.062   21.410  39.392  4.0263 38.818  5.7627 0.5737495      7.029980  
1 1 1 -6  21  15 o 45.522  3.7534 105.585  16.714  106.994  21.719  103.538  26.176  45.321  4.9349 43.926  6.2105 1.395699       7.932444  
1 1 1 -6  21  16 o 57.364  1.6725 163.303  9.4696  166.947  13.119  159.338  13.683  57.858  2.2972 56.482  2.4543 1.375538       3.361685  
1 1 1 -6  21  17 o 35.688  1.2829 63.085   4.5191  68.938   6.2635  56.731   6.5264  37.255  1.7033 33.704  1.9704 3.551094       2.604563  
1 1 1 -6  22  1  o 20.357  4.5308 21.860   8.8694  27.899   12.823  16.320   12.281  22.795  5.7110 18.002  5.9469 4.793255       8.245084  
1 1 1 -6  22  2  o 42.831  2.5380 91.714   10.682  90.203   14.936  93.295   15.283  42.196  3.6213 42.912  3.6426 -0.7155876     5.136342  
1 1 1 -6  22  3  o 22.084  1.5292 24.268   3.3128  24.433   3.4132  21.584   13.762  22.154  1.5711 20.253  6.2549 1.900816       6.449163  
1 1 1 -6  22  4  o 122.914 2.0430 750.288  24.786  763.368  34.726  736.703  35.389  123.618 2.8460 121.384 2.9537 2.234650       4.101726  
1 1 1 -6  22  5  o 21.936  1.1622 23.863   2.5074  24.520   2.5475  3.4608   14.194  22.237  1.1647 14.425  6.0099 7.811683       6.121751  
1 1 1 -6  22  6  o 102.634 1.8186 522.493  18.423  534.857  25.481  508.949  26.668  103.612 2.4915 100.999 2.6751 2.613297       3.655667  
1 1 1 -6  22  7  o 54.224  2.4038 146.415  12.866  137.981  18.062  155.102  18.330  52.261  3.5221 55.477  3.3634 -3.215633      4.870084  
1 1 1 -6  22  8  o 41.268  8.2621 95.608   32.480  103.630  46.123  87.716   45.747  41.158  11.099 37.737  11.355 3.421776       15.87856  
1 1 1 -6  22  9  o 54.922  7.6371 165.302  40.281  173.183  56.894  157.382  57.037  53.418  11.151 50.354  11.699 3.064270       16.16208  
1 1 1 -6  22  10 f 18.763  6.8377 16.336   16.436  24.530   34.082  13.853   18.761  24.090  9.5776 18.608  7.1917 5.482367       11.97712  
1 1 1 -6  22  11 o 33.207  3.9184 56.608   12.596  42.359   20.877  64.764   15.794  27.471  7.4923 35.286  4.6479 -7.815771      8.816868  
1 1 1 -6  22  12 o 24.826  4.3740 32.320   10.327  28.897   13.883  36.559   15.451  23.015  6.0364 25.855  6.1451 -2.839630      8.613940  
1 1 1 -6  22  13 o 44.438  1.6707 97.983   7.3282  93.715   15.806  99.152   8.2708  42.837  3.7769 44.671  1.8758 -1.834209      4.217065  
1 1 1 -6  22  14 o 25.430  1.6979 32.246   4.2373  24.150   20.528  32.606   4.3305  21.612  7.6710 25.568  1.7261 -3.956367      7.862768  
1 1 1 -6  22  15 o 13.856  5.4510 6.6215   10.932  14.761   14.640  -3.6360  16.435  17.671  6.4513 13.616  6.0621 4.055077       8.852624  
1 1 1 -6  23  2  o 20.249  1.2277 20.366   2.4421  15.769   3.5029  24.713   3.4065  17.692  2.0435 22.274  1.5593 -4.581797      2.570466  
1 1 1 -6  23  3  o 33.737  1.4971 56.398   4.9853  56.848   5.2886  52.814   14.935  33.863  1.5823 31.700  4.9339 2.163492       5.181437  
1 1 1 -6  23  4  o 40.519  1.2437 81.249   4.9739  82.778   7.0284  79.715   7.0399  40.844  1.7434 40.076  1.7797 0.7674980      2.491330  
1 1 1 -6  23  5  o 21.097  1.9287 22.292   3.9718  36.811   15.224  21.232   4.1143  25.995  6.0473 20.564  2.0545 5.431164       6.386762  
1 1 1 -6  23  6  o 24.615  8.4282 32.841   24.651  39.697   35.093  26.164   34.634  27.090  9.9733 24.361  9.6645 2.728601       13.88773  
1 1 1 -6  23  7  o 34.495  8.7134 69.276   29.676  64.498   41.949  74.063   41.988  32.455  10.995 34.505  10.965 -2.049675      15.52832  
1 1 1 -6  23  8  o 43.233  1.3563 92.564   5.7875  88.185   8.2181  96.873   8.1520  42.116  1.9769 44.159  1.8703 -2.042980      2.721471  
1 1 1 -6  23  9  o 46.666  1.8332 108.179  8.4439  129.230  16.610  100.844  9.8054  50.518  3.3502 44.990  2.2081 5.527874       4.012386  
1 1 1 -6  23  10 o 48.740  2.5627 119.107  12.286  107.263  16.541  133.680  18.348  45.860  3.6853 51.241  3.6517 -5.380928      5.188091  
1 1 1 -6  23  11 o 89.785  2.5477 403.282  22.578  622.029  88.257  387.964  23.355  104.140 8.6647 87.996  2.6890 16.14449       9.072398  
1 1 1 -6  23  12 o 38.630  0.9710 73.800   3.7023  70.431   5.2040  77.252   5.2683  37.696  1.3987 39.484  1.3518 -1.788639      1.945147  
1 1 1 -6  23  13 o 25.164  1.1666 31.351   2.8974  34.322   4.0379  28.198   4.1600  26.250  1.5656 23.748  1.7879 2.501575       2.376451  
1 1 1 -6  23  14 o 43.008  8.6186 110.674  35.312  100.575  49.790  120.893  50.089  37.642  11.938 41.771  11.689 -4.128460      16.70772  
1 1 1 -6  24  6  o 31.525  8.7156 59.682   28.027  74.084   39.595  45.220   39.679  33.853  10.635 27.803  10.529 6.050642       14.96559  
1 1 1 -6  24  7  o 48.656  3.1756 120.046  15.167  118.289  18.326  123.865  27.023  47.972  3.9041 47.972  5.8265 -0.1373291E-03 7.013618  
1 1 1 -6  24  8  o 25.612  4.8615 35.141   11.840  41.055   16.324  28.576   17.200  27.152  6.2239 22.585  6.9956 4.567223       9.363547  
1 1 1 -6  24  9  o 80.296  11.086 414.786  85.522  365.015  119.931 466.280  121.988 61.289  18.372 74.119  17.032 -12.82928      25.05266  
1 1 1 -6  24  10 o 56.664  7.9717 185.774  43.352  185.239  61.034  186.319  61.589  51.708  12.162 51.746  12.249 -0.3829956E-01 17.26123  
1 1 1 -5  -22 1  f 9.2374  3.9807 -0.5357  6.5897  -3.8471  9.5992  2.4157   9.0624  10.305  4.6071 11.781  4.8454 -1.476870      6.686081  
1 1 1 -5  -22 2  o 28.375  7.9405 43.714   23.115  47.241   34.855  40.946   30.883  29.770  10.023 27.962  9.4344 1.808523       13.76451  
1 1 1 -5  -21 1  o 35.801  1.9716 63.655   6.9401  63.798   10.104  63.526   9.5494  35.713  2.8911 35.662  2.7338 0.5130386E-01  3.978933  
1 1 1 -5  -21 2  o 34.005  7.8131 62.329   25.673  44.376   37.752  77.774   35.016  29.653  10.415 37.538  9.4555 -7.885471      14.06691  
1 1 1 -5  -21 3  o 22.622  2.0380 25.558   4.5018  26.706   5.3929  22.920   8.1762  23.077  2.4028 21.042  4.0840 2.035469       4.738410  
1 1 1 -5  -20 1  o 128.342 6.5639 837.706  82.871  865.104  117.672 810.745  116.730 128.513 9.3405 124.194 9.5969 4.319672       13.39200  
1 1 1 -5  -20 2  o 67.221  1.6025 223.429  10.632  213.556  12.334  251.986  20.976  65.693  1.9022 71.221  2.9839 -5.527565      3.538631  
1 1 1 -5  -20 3  o 39.299  1.1721 76.304   4.5465  69.805   5.5168  90.065   8.0270  37.576  1.4875 42.657  1.9065 -5.081909      2.418079  
1 1 1 -5  -20 4  f 65.015  1.1943 208.858  7.6643  211.548  9.9532  204.941  12.013  65.407  1.5417 64.345  1.8915 1.061615       2.440206  
1 1 1 -5  -20 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -19 1  o 89.485  1.6600 395.706  14.662  393.567  17.485  400.773  26.910  89.218  1.9856 89.920  3.0320 -0.7017288     3.624262  
1 1 1 -5  -19 2  o 150.982 2.0442 1127.58  30.463  1129.51  43.323  1125.70  42.844  150.934 2.9080 150.686 2.8806 0.2483063      4.093233  
1 1 1 -5  -19 3  o 37.893  1.1883 70.927   4.4445  64.874   5.8913  78.924   6.7712  36.225  1.6477 39.952  1.7171 -3.727688      2.379765  
1 1 1 -5  -19 4  o 91.646  1.3212 415.025  11.952  399.099  16.351  433.295  17.513  89.816  1.8444 93.579  1.8960 -3.762283      2.645167  
1 1 1 -5  -19 5  o 79.412  2.1029 312.268  16.483  309.315  16.710  418.631  100.285 79.030  2.1422 86.914  12.011 -7.883614      12.20048  
1 1 1 -5  -19 6  o 11.021  4.9304 -4.5133  11.012  5.7652   16.433  -12.8912 14.836  16.119  6.5649 11.545  5.3710 4.574615       8.482095  
1 1 1 -5  -18 1  o 139.122 2.0622 956.634  28.317  887.241  46.747  996.855  35.590  133.786 3.5401 141.961 2.5400 -8.175674      4.357027  
1 1 1 -5  -18 2  o 159.689 2.0539 1260.64  32.374  1274.75  45.629  1246.34  45.939  160.449 2.8812 158.641 2.9338 1.807999       4.111994  
1 1 1 -5  -18 3  o 64.925  1.1342 208.160  7.2686  202.432  9.9335  214.763  10.664  64.008  1.5723 65.925  1.6388 -1.917450      2.271113  
1 1 1 -5  -18 4  o 14.234  2.1225 10.244   2.8909  10.067   3.4448  10.666   5.3157  14.036  2.5816 14.377  3.7181 -0.3410902     4.526451  
1 1 1 -5  -18 5  o 102.354 1.3519 517.649  13.658  490.927  18.796  547.543  19.880  99.618  1.9116 105.205 1.9145 -5.587204      2.705433  
1 1 1 -5  -18 6  o 65.397  6.4007 219.012  40.786  216.293  57.967  221.678  57.397  63.643  9.5203 64.564  9.2728 -0.9210472     13.28989  
1 1 1 -5  -18 7  o 97.795  6.4353 488.574  61.771  471.119  87.369  506.020  87.347  94.159  9.5320 97.881  9.1470 -3.721619      13.21090  
1 1 1 -5  -17 1  o 190.938 2.7051 1803.04  50.982  1890.05  84.726  1753.66  63.831  195.153 4.3985 188.184 3.4365 6.969299       5.581787  
1 1 1 -5  -17 2  o 114.519 1.5222 647.694  17.206  625.422  24.054  671.027  24.621  112.491 2.1664 116.522 2.1408 -4.031181      3.045702  
1 1 1 -5  -17 3  o 212.633 2.6375 2236.79  55.356  2240.21  78.145  2233.34  78.425  212.538 3.7250 212.206 3.7442 0.3318634      5.281600  
1 1 1 -5  -17 4  o 100.263 1.9752 496.923  19.548  0.0000   0.0000  496.923  19.548  ?       ?      100.263 1.9752 0.000000       1.975236  
1 1 1 -5  -17 5  o 60.096  0.9260 178.311  5.4926  174.548  7.2068  183.526  8.4840  59.449  1.2282 60.951  1.4102 -1.502419      1.870072  
1 1 1 -5  -17 6  o 41.172  6.8157 88.046   26.729  85.768   38.147  90.244   37.462  39.818  9.7776 40.929  9.4625 -1.110806      13.60662  
1 1 1 -5  -17 7  o 55.836  6.4628 159.992  34.960  144.423  49.393  175.621  49.489  51.671  10.047 57.565  9.0050 -5.894352      13.49162  
1 1 1 -5  -17 8  o 42.411  6.8046 93.693   27.522  88.938   38.900  98.458   38.944  40.350  9.8527 42.591  9.5048 -2.241261      13.69002  
1 1 1 -5  -16 1  o 166.381 2.8394 1368.94  46.629  1340.05  48.856  1664.39  156.235 164.596 3.0072 181.928 8.7005 -17.33253      9.205580  
1 1 1 -5  -16 2  o 41.792  0.9297 86.217   3.8350  91.194   5.0901  79.683   5.8325  42.978  1.1999 40.171  1.4710 2.807594       1.898311  
1 1 1 -5  -16 3  f 171.792 2.1330 1458.37  36.169  1451.17  51.030  1465.63  51.272  171.259 3.0188 172.110 3.0181 -0.8510895     4.268759  
1 1 1 -5  -16 4  o 52.687  6.3916 140.710  32.559  143.827  46.017  137.586  46.073  52.579  9.2022 51.336  9.4405 1.243008       13.18350  
1 1 1 -5  -16 5  o 159.133 2.0128 1251.64  31.615  1289.15  44.609  1213.79  44.812  161.385 2.8005 156.581 2.8995 4.804138       4.031062  
1 1 1 -5  -16 6  o 51.825  6.5177 137.094  32.603  131.888  46.339  142.197  45.880  49.856  9.7659 51.973  9.2842 -2.116810      13.47475  
1 1 1 -5  -16 7  o 47.417  6.5376 115.535  29.784  113.562  42.283  117.478  41.959  46.046  9.6140 46.926  9.3868 -0.8804932     13.43651  
1 1 1 -5  -16 8  o 134.297 6.5262 913.500  86.509  904.614  122.441 922.359  122.243 131.489 9.4981 132.868 9.3814 -1.379425      13.35008  
1 1 1 -5  -16 9  o 28.467  7.1964 42.918   20.231  39.860   28.686  45.944   28.537  27.944  9.0820 29.555  8.9852 -1.610920      12.77560  
1 1 1 -5  -15 1  f 69.944  1.0114 241.496  6.9826  230.390  9.4231  255.021  10.399  68.310  1.3976 71.867  1.4659 -3.557312      2.025381  
1 1 1 -5  -15 2  o 115.593 2.0679 660.079  23.593  654.791  24.249  753.995  102.188 115.125 2.1339 122.298 8.5186 -7.172768      8.781813  
1 1 1 -5  -15 3  o 53.199  0.8477 139.699  4.4512  153.048  6.1365  124.876  6.4663  55.680  1.1166 50.292  1.3026 5.387711       1.715693  
1 1 1 -5  -15 4  o 234.961 7.5291 2764.46  174.611 2764.58  246.979 2764.33  246.894 233.238 10.728 233.229 10.725 0.8850098E-02  15.16968  
1 1 1 -5  -15 5  o 51.638  0.7244 131.614  3.6923  159.829  5.2947  104.903  5.1516  56.901  0.9427 46.096  1.1323 10.80518       1.473349  
1 1 1 -5  -15 6  o 92.769  7.2497 434.857  65.856  434.944  80.664  434.683  114.044 92.214  8.9762 90.432  13.163 1.781448       15.93207  
1 1 1 -5  -15 7  o 89.391  6.2995 402.815  55.227  405.454  78.152  400.182  78.053  88.713  9.0520 88.107  9.1066 0.6062851      12.84010  
1 1 1 -5  -15 8  o 37.103  8.0112 72.704   28.480  75.062   50.115  71.579   34.612  37.663  11.981 36.566  9.5030 1.096386       15.29183  
1 1 1 -5  -15 9  f 88.859  6.4434 401.096  56.129  413.137  79.644  389.214  79.116  88.906  9.2094 86.139  9.4611 2.766609       13.20326  
1 1 1 -5  -15 10 o 79.204  6.3655 319.353  49.344  278.884  70.247  358.769  69.327  72.323  10.118 82.980  8.5887 -10.65719      13.27140  
1 1 1 -5  -14 1  o 183.225 2.3019 1658.62  41.629  1719.99  58.852  1597.16  58.894  186.489 3.1972 179.692 3.3205 6.796967       4.609579  
1 1 1 -5  -14 2  o 157.126 1.9898 1219.44  30.859  1262.91  43.593  1175.79  43.690  159.839 2.7631 154.218 2.8702 5.621628       3.984087  
1 1 1 -5  -14 3  o 80.198  12.962 336.309  99.102  0.0000   0.0000  336.309  99.102  ?       ?      80.198  12.962 0.000000       12.96157  
1 1 1 -5  -14 4  o 101.742 1.3051 511.062  13.106  487.566  18.356  535.502  18.720  99.356  1.8717 104.128 1.8214 -4.771820      2.611704  
1 1 1 -5  -14 5  o 55.860  0.7214 154.016  3.9778  166.834  5.7341  142.126  5.5227  58.135  0.9993 53.657  1.0428 4.478016       1.444281  
1 1 1 -5  -14 6  o 162.958 6.6771 1326.31  107.399 1356.85  152.030 1295.88  151.740 163.598 9.4552 159.773 9.6675 3.825485       13.52263  
1 1 1 -5  -14 7  o 123.533 7.4061 768.971  89.887  770.758  110.118 765.405  155.604 123.023 9.1338 120.558 13.298 2.464386       16.13243  
1 1 1 -5  -14 8  o 57.334  6.2283 166.571  34.680  186.583  49.349  147.046  48.745  60.069  8.5659 52.858  9.7006 7.211052       12.94124  
1 1 1 -5  -14 9  o 28.778  7.9532 43.457   23.343  26.735   41.709  51.084   28.168  27.458  10.692 31.140  8.7837 -3.682425      13.83724  
1 1 1 -5  -14 10 o 90.819  6.3980 418.345  56.986  411.872  81.432  424.557  79.775  88.730  9.4432 90.291  9.0742 -1.561111      13.09635  
1 1 1 -5  -14 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -13 1  o 73.078  1.0044 263.608  7.2447  278.900  10.280  248.520  10.211  75.161  1.3857 70.949  1.4581 4.212906       2.011572  
1 1 1 -5  -13 2  o 49.274  0.7985 119.838  3.8836  108.593  5.1896  134.150  5.8547  46.902  1.1210 52.130  1.1379 -5.227825      1.597290  
1 1 1 -5  -13 3  o 209.712 7.1705 2192.72  148.424 2176.15  209.916 2209.27  209.890 207.827 10.233 209.436 10.153 -1.608826      14.41556  
1 1 1 -5  -13 4  o 146.195 1.9068 1055.58  27.516  1071.01  38.836  1040.03  38.991  147.207 2.6728 145.058 2.7233 2.148941       3.815784  
1 1 1 -5  -13 5  o 68.593  0.9901 232.251  6.7033  230.477  11.669  233.125  8.1892  68.316  1.7306 68.719  1.2074 -0.4024963     2.110105  
1 1 1 -5  -13 6  o 161.151 6.6850 1294.77  106.333 1312.77  149.405 1276.29  151.369 161.203 9.4310 158.833 9.7018 2.369949       13.53026  
1 1 1 -5  -13 7  o 98.486  6.2387 485.339  60.333  494.696  85.343  475.991  85.306  98.762  8.8485 96.808  9.0319 1.954231       12.64403  
1 1 1 -5  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -13 9  o 14.780  5.7867 6.5320   12.269  9.3741   17.960  4.0455   16.799  17.780  6.9893 15.988  6.5888 1.792430       9.605334  
1 1 1 -5  -13 10 o 151.735 6.7406 1161.03  100.952 1169.49  144.157 1152.89  141.419 150.258 9.7731 149.273 9.6499 0.9854584      13.73442  
1 1 1 -5  -13 11 o 136.401 6.5848 939.937  88.653  948.003  125.568 931.919  125.181 135.040 9.4808 133.845 9.5379 1.195709       13.44832  
1 1 1 -5  -13 12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -12 1  o 72.504  0.9820 259.474  7.0277  278.806  9.7988  238.997  10.085  75.152  1.3210 69.578  1.4684 5.574036       1.975174  
1 1 1 -5  -12 2  o 94.486  6.1583 445.330  57.119  435.353  80.855  455.269  80.702  92.874  8.9303 95.045  8.6989 -2.171227      12.46681  
1 1 1 -5  -12 3  o 273.634 8.0026 3738.76  216.139 3772.66  305.686 3704.87  305.647 273.278 11.333 270.754 11.437 2.523743       16.10086  
1 1 1 -5  -12 4  f 25.488  1.7345 32.227   4.3376  6.2054   22.052  33.274   4.4240  18.566  7.5881 25.900  1.7407 -7.333654      7.785209  
1 1 1 -5  -12 5  o 31.066  0.4859 47.630   1.4899  49.066   1.6497  41.277   3.4704  31.530  0.5301 28.916  1.2159 2.613968       1.326431  
1 1 1 -5  -12 6  o 88.264  6.1563 389.294  53.298  387.778  75.451  390.803  75.298  87.518  8.8564 87.876  8.7994 -0.3586731     12.48462  
1 1 1 -5  -12 7  o 16.732  6.0202 11.682   12.684  7.3634   17.838  16.098   18.040  17.285  6.9105 19.769  7.1699 -2.483889      9.958044  
1 1 1 -5  -12 8  o 35.713  6.7794 65.710   23.023  55.242   32.432  76.345   32.689  32.738  9.4871 38.221  8.8410 -5.482857      12.96795  
1 1 1 -5  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -12 10 o 92.966  6.3757 435.024  58.150  433.834  81.778  436.240  82.703  91.908  9.1357 92.133  9.2181 -0.2250748     12.97821  
1 1 1 -5  -12 11 o 51.096  9.5158 138.164  46.226  154.177  66.431  123.131  64.365  52.884  12.852 47.254  13.260 5.629906       18.46635  
1 1 1 -5  -12 12 o 44.305  6.6363 101.164  28.127  120.008  40.226  83.136   39.345  47.637  8.8819 39.259  10.096 8.378048       13.44721  
1 1 1 -5  -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -11 1  o 72.032  0.9895 256.097  7.0352  256.291  10.031  255.909  9.8691  72.055  1.4105 72.001  1.3887 0.5341339E-01  1.979361  
1 1 1 -5  -11 2  o 73.384  6.0795 268.991  43.639  270.767  61.642  267.207  61.787  73.173  8.7056 72.667  8.7934 0.5065079      12.37385  
1 1 1 -5  -11 3  o 237.054 2.8875 2777.07  67.563  2807.50  95.515  2746.60  95.581  238.191 4.0627 235.587 4.1104 2.604950       5.779356  
1 1 1 -5  -11 4  o 118.080 1.4752 688.366  17.194  697.074  24.272  679.596  24.360  118.802 2.0699 117.302 2.1039 1.500290       2.951448  
1 1 1 -5  -11 5  o 61.824  1.4658 188.705  8.9449  181.447  52.172  188.925  9.0793  59.519  9.1757 61.859  1.4870 -2.340733      9.295430  
1 1 1 -5  -11 6  o 214.372 10.299 2313.49  217.923 2328.81  308.413 2298.22  307.967 212.417 14.802 210.960 14.886 1.457245       20.99267  
1 1 1 -5  -11 7  o 193.534 6.9996 1866.42  133.710 1889.49  189.162 1843.39  189.027 193.547 9.9353 191.115 10.056 2.432526       14.13627  
1 1 1 -5  -11 8  o 75.724  6.1950 287.170  45.897  299.552  64.955  274.824  64.862  76.817  8.7215 73.433  9.1471 3.383049       12.63860  
1 1 1 -5  -11 9  o 22.137  6.6469 24.676   15.688  25.623   21.963  23.689   22.416  23.456  7.9558 22.996  8.0284 0.4592094      11.30264  
1 1 1 -5  -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -11 11 o 170.652 6.8234 1462.75  114.933 1434.79  162.458 1490.77  162.622 167.158 9.8905 170.521 9.7022 -3.363235      13.85472  
1 1 1 -5  -11 12 o 131.388 6.5685 869.425  85.184  880.471  121.655 858.800  119.315 130.491 9.5108 128.910 9.4430 1.581390       13.40242  
1 1 1 -5  -11 13 o 150.450 6.6788 1143.29  99.179  1162.69  140.333 1123.94  140.189 149.683 9.5483 147.032 9.7146 2.650467       13.62138  
1 1 1 -5  -11 14 o 77.394  7.4948 307.984  56.536  323.363  96.642  299.982  69.710  76.246  13.327 75.440  9.5776 0.8059845      16.41123  
1 1 1 -5  -10 1  o 114.907 6.1082 655.774  69.029  692.929  97.921  619.069  97.326  117.791 8.4790 111.226 8.9408 6.565193       12.32198  
1 1 1 -5  -10 2  o 267.287 16.107 3641.72  422.942 0.0000   0.0000  3641.72  422.942 ?       ?      267.287 16.107 0.000000       16.10656  
1 1 1 -5  -10 3  o 347.988 4.0927 5989.82  140.574 5976.93  198.780 6002.72  198.823 347.217 5.8001 347.969 5.7889 -0.7514038     8.194670  
1 1 1 -5  -10 4  o 84.809  1.0480 355.027  8.7728  335.332  12.295  375.453  12.521  82.415  1.5114 87.208  1.4547 -4.792213      2.097730  
1 1 1 -5  -10 5  o 20.722  1.0139 21.196   2.0739  17.117   2.4731  30.860   3.8067  18.571  1.3586 24.953  1.5533 -6.381500      2.063638  
1 1 1 -5  -10 6  o 35.166  6.6144 63.480   22.116  65.267   31.337  61.706   31.216  35.436  8.9554 34.488  9.0548 0.9485588      12.73532  
1 1 1 -5  -10 7  o 151.249 6.5857 1138.01  98.318  1090.73  140.033 1183.97  138.073 147.093 9.6995 153.447 9.1580 -6.354034      13.33976  
1 1 1 -5  -10 8  o 61.098  6.1938 187.459  36.836  175.532  51.977  199.495  52.212  58.461  9.3207 62.552  8.6914 -4.091061      12.74425  
1 1 1 -5  -10 9  o 34.022  6.8426 59.713   22.182  56.965   31.306  62.484   31.435  33.185  9.2247 34.653  9.0808 -1.467991      12.94428  
1 1 1 -5  -10 10 o 36.540  6.6892 68.643   23.236  74.578   33.002  62.808   32.722  37.765  8.9841 34.716  9.3434 3.048550       12.96199  
1 1 1 -5  -10 11 o 129.457 6.4207 837.497  82.043  859.911  116.114 815.151  115.940 130.073 9.1015 126.525 9.3499 3.547913       13.04829  
1 1 1 -5  -10 12 o 46.531  6.5734 110.689  29.350  102.163  41.109  119.554  41.916  43.883  9.7447 47.682  9.2400 -3.799129      13.42893  
1 1 1 -5  -10 13 o 92.503  6.3590 432.410  57.707  425.216  82.341  439.355  80.899  90.518  9.3509 92.185  9.0061 -1.666641      12.98260  
1 1 1 -5  -10 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -10 15 o 55.592  7.5675 160.393  40.445  158.120  69.685  161.547  49.666  52.835  13.356 55.069  9.4793 -2.233757      16.37767  
1 1 1 -5  -9  1  o 684.010 15.053 23479.36 1016.31 23716.46 1437.31 23242.28 1437.26 681.753 21.359 674.671 21.583 7.082642       30.36514  
1 1 1 -5  -9  2  o 190.456 3.1079 1791.69  58.424  1736.58  82.518  1847.08  82.731  187.420 4.4607 193.300 4.3362 -5.879974      6.220904  
1 1 1 -5  -9  3  o 135.339 1.7217 904.242  22.999  922.345  32.529  886.147  32.523  136.666 2.4114 133.955 2.4598 2.710312       3.444645  
1 1 1 -5  -9  4  o 226.295 2.7636 2529.80  61.729  2537.22  87.281  2522.36  87.316  226.516 3.9038 225.850 3.9169 0.6656799      5.530056  
1 1 1 -5  -9  5  o 321.692 3.8231 5118.49  121.393 5117.44  171.649 5119.54  171.701 321.304 5.4124 321.370 5.4130 -0.6600952E-01 7.654710  
1 1 1 -5  -9  6  o 212.057 7.1847 2238.27  150.382 2248.53  212.692 2228.01  212.654 211.639 10.182 210.656 10.227 0.9836578      14.43150  
1 1 1 -5  -9  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -9  8  o 228.719 7.4008 2607.25  167.076 2554.49  236.180 2660.10  236.381 225.227 10.624 229.925 10.416 -4.698074      14.87815  
1 1 1 -5  -9  9  o 40.541  6.5233 83.787   25.218  78.083   35.727  89.450   35.600  38.691  9.4392 41.482  8.9571 -2.790947      13.01262  
1 1 1 -5  -9  10 o 163.967 6.6890 1339.37  108.256 1259.22  152.924 1419.89  153.270 157.830 9.8659 167.853 9.2872 -10.02325      13.54949  
1 1 1 -5  -9  11 o 158.452 9.5686 1271.61  148.948 1298.27  210.572 1244.91  210.716 158.071 13.630 154.577 13.961 3.493210       19.51122  
1 1 1 -5  -9  12 o 113.893 6.4131 650.495  71.801  670.471  102.569 631.300  100.544 114.713 9.1345 111.251 9.2399 3.461662       12.99286  
1 1 1 -5  -9  13 o 125.830 6.4668 796.813  80.045  808.385  113.229 785.253  113.173 125.515 9.2038 123.626 9.3437 1.889297       13.11540  
1 1 1 -5  -9  14 o 47.312  6.4855 114.696  29.489  109.060  41.717  120.325  41.691  45.209  9.6430 47.678  9.1923 -2.469238      13.32235  
1 1 1 -5  -9  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -8  1  o 179.845 6.7293 1601.19  119.454 1703.67  169.029 1498.94  168.839 185.257 9.2438 173.418 9.9049 11.83893       13.54828  
1 1 1 -5  -8  2  o 146.797 1.8079 1063.75  26.195  1054.16  37.010  1073.37  37.080  146.117 2.5662 147.443 2.5479 -1.325790      3.616219  
1 1 1 -5  -8  3  o 261.986 3.1425 3390.15  81.261  3503.55  114.933 3276.80  114.909 266.227 4.3738 257.454 4.5219 8.773254       6.291084  
1 1 1 -5  -8  4  o 170.938 2.1033 1442.73  35.488  1405.09  50.145  1480.49  50.229  168.653 3.0123 173.123 2.9395 -4.470200      4.208881  
1 1 1 -5  -8  5  o 44.146  0.5958 96.186   2.5963  105.667  4.2977  90.738   3.2581  46.269  0.9411 42.877  0.7698 3.392265       1.215828  
1 1 1 -5  -8  6  o 164.196 3.5981 1333.12  58.314  1284.71  152.759 1341.38  63.091  159.933 9.7230 164.678 3.8815 -4.744675      10.46912  
1 1 1 -5  -8  7  o 126.267 6.3604 794.006  79.015  812.748  111.678 775.219  111.811 127.195 8.9524 124.150 9.1897 3.045189       12.82951  
1 1 1 -5  -8  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -8  9  o 213.501 7.2535 2270.78  152.855 2198.86  217.265 2341.27  215.092 208.747 10.579 215.848 10.096 -7.101196      14.62354  
1 1 1 -5  -8  10 o 68.270  6.1920 233.568  41.271  223.640  57.834  243.871  58.912  66.206  9.0901 69.248  8.8193 -3.042046      12.66534  
1 1 1 -5  -8  11 o 120.448 6.3628 724.178  75.377  712.137  106.595 736.221  106.603 118.720 9.1676 120.771 9.0076 -2.050354      12.85231  
1 1 1 -5  -8  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -8  13 o 128.951 6.5292 834.466  82.833  808.841  115.989 861.136  118.333 125.838 9.4064 129.916 9.2893 -4.077660      13.22015  
1 1 1 -5  -8  14 o 71.896  6.2449 261.267  43.876  259.074  62.114  263.450  61.987  70.671  9.1172 71.315  9.0070 -0.6439438     12.81601  
1 1 1 -5  -8  15 o 88.763  6.2738 398.293  54.612  397.084  77.285  399.500  77.180  87.513  9.0794 87.802  9.0346 -0.2889252     12.80861  
1 1 1 -5  -8  16 o 95.481  6.4167 462.136  60.122  448.439  85.849  475.319  84.224  92.602  9.5285 95.629  9.0300 -3.026886      13.12756  
1 1 1 -5  -7  1  o 417.795 10.152 8666.59  418.644 8621.15  592.048 8712.04  592.056 415.424 14.439 417.634 14.363 -2.210693      20.36577  
1 1 1 -5  -7  2  o 300.551 3.5648 4461.85  105.752 4532.39  149.562 4391.31  149.549 302.791 5.0043 298.034 5.0838 4.757782       7.133569  
1 1 1 -5  -7  3  o 268.436 3.2170 3558.72  85.237  3578.91  120.538 3538.54  120.549 269.101 4.5381 267.577 4.5644 1.524200       6.436451  
1 1 1 -5  -7  4  o 364.521 4.7994 6570.26  172.680 6463.73  244.174 6676.84  244.239 361.194 6.8490 367.123 6.7401 -5.928497      9.609269  
1 1 1 -5  -7  5  o 165.670 2.0383 1355.13  33.331  1301.46  47.098  1408.99  47.176  162.318 2.9397 168.896 2.8299 -6.578033      4.080437  
1 1 1 -5  -7  6  o 279.673 3.3584 3865.79  92.707  3831.73  131.159 3899.79  131.057 278.231 4.7759 280.699 4.7303 -2.467804      6.721983  
1 1 1 -5  -7  7  o 115.987 6.2612 669.759  71.415  667.008  100.988 672.512  101.004 115.228 8.9495 115.713 8.9120 -0.4855347     12.63008  
1 1 1 -5  -7  8  o 81.181  6.0728 328.999  48.308  350.387  68.377  307.685  68.260  83.369  8.4251 77.939  9.0410 5.429207       12.35808  
1 1 1 -5  -7  9  o 109.724 6.2202 599.987  67.089  627.858  95.016  572.276  94.741  111.749 8.6825 106.560 9.0947 5.188774       12.57373  
1 1 1 -5  -7  10 o 91.374  6.1645 416.714  55.272  429.349  78.269  404.146  78.065  92.254  8.6982 89.421  8.9655 2.833145       12.49157  
1 1 1 -5  -7  11 o 111.898 6.2908 624.636  69.199  621.183  97.901  628.084  97.822  110.964 9.0166 111.599 8.9560 -0.6347275     12.70867  
1 1 1 -5  -7  12 o 78.902  6.1811 311.714  47.753  311.324  67.602  312.102  67.464  78.254  8.9112 78.361  8.8792 -0.1068268     12.57977  
1 1 1 -5  -7  13 f 54.027  6.3450 147.603  33.192  146.890  46.959  148.314  46.921  53.199  9.2804 53.479  9.2222 -0.2797241     13.08338  
1 1 1 -5  -7  14 o 44.406  6.5499 100.854  27.846  95.320   39.166  106.511  39.599  42.447  9.5760 44.996  9.2258 -2.549114      13.29719  
1 1 1 -5  -7  15 o 146.003 6.6005 1073.11  95.120  1055.98  134.531 1090.23  134.510 143.005 9.5864 145.424 9.4216 -2.419006      13.44120  
1 1 1 -5  -7  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -7  17 o 50.598  6.5165 131.481  31.788  133.943  45.212  129.074  44.703  50.061  9.4975 49.095  9.5690 0.9664230      13.48215  
1 1 1 -5  -6  1  o 118.137 6.1651 692.111  71.640  713.228  101.345 671.020  101.283 119.659 8.6388 116.009 8.9134 3.649475       12.41280  
1 1 1 -5  -6  2  o 109.178 1.3889 588.326  14.967  619.367  21.276  557.909  21.061  112.015 1.9243 106.311 2.0070 5.703613       2.780492  
1 1 1 -5  -6  3  o 289.728 3.4427 4146.06  98.453  4075.80  139.217 4216.35  139.251 287.143 4.9120 292.060 4.8305 -4.916901      6.889235  
1 1 1 -5  -6  4  f 169.995 2.1067 1426.62  35.349  1443.86  49.997  1409.39  49.984  170.993 2.9623 168.939 2.9976 2.054718       4.214355  
1 1 1 -5  -6  5  o 123.508 1.5877 752.991  19.355  719.382  27.344  786.738  27.400  120.706 2.2951 126.233 2.1991 -5.526787      3.178598  
1 1 1 -5  -6  6  o 243.984 2.9454 2940.59  70.931  2883.13  100.298 2998.08  100.324 241.470 4.2082 246.246 4.1277 -4.775528      5.894621  
1 1 1 -5  -6  7  o 171.568 2.1199 1453.57  35.899  1479.21  50.788  1427.97  50.750  173.025 2.9738 169.998 3.0246 3.026764       4.241656  
1 1 1 -5  -6  8  o 146.296 1.7925 1056.78  25.884  1065.96  36.605  1047.60  36.607  146.895 2.5247 145.623 2.5468 1.272125       3.586119  
1 1 1 -5  -6  9  o 276.094 7.2839 3794.74  198.497 0.0000   0.0000  3794.74  198.497 ?       ?      276.094 7.2839 0.000000       7.283906  
1 1 1 -5  -6  10 o 100.627 6.2038 504.907  61.317  482.852  86.538  527.144  86.894  97.822  9.0656 102.334 8.6848 -4.511719      12.55432  
1 1 1 -5  -6  11 o 146.189 6.5139 1062.88  93.992  1044.14  132.900 1081.63  132.949 144.005 9.4016 146.629 9.2333 -2.624390      13.17740  
1 1 1 -5  -6  12 o 134.540 6.4366 900.791  85.476  871.713  120.858 929.892  120.904 131.425 9.3783 135.855 9.0685 -4.430450      13.04568  
1 1 1 -5  -6  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -6  14 o 53.817  6.3102 146.589  32.883  159.096  47.119  134.715  45.912  55.460  8.9094 50.780  9.5095 4.679363       13.03104  
1 1 1 -5  -6  15 o 21.960  6.7774 24.230   16.160  25.675   23.068  22.837   22.646  23.562  8.1488 22.697  8.0569 0.8655148      11.45938  
1 1 1 -5  -6  16 o 86.511  6.4421 378.718  54.614  387.995  77.233  369.440  77.240  86.492  9.1875 84.262  9.4499 2.229958       13.17988  
1 1 1 -5  -6  17 o 83.023  6.3662 349.427  51.772  353.759  72.550  344.931  73.901  82.446  9.0650 81.251  9.3878 1.195587       13.05008  
1 1 1 -5  -5  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -5  2  o 585.463 6.6410 16957.33 383.768 16744.63 542.719 17170.05 542.742 581.053 9.4629 588.424 9.3448 -7.370972      13.29934  
1 1 1 -5  -5  3  o 129.083 1.6161 822.442  20.590  800.687  29.053  844.395  29.185  127.354 2.3112 130.785 2.2609 -3.430656      3.233140  
1 1 1 -5  -5  4  o 265.897 3.1813 3491.69  83.494  3364.46  118.042 3619.07  118.116 260.910 4.5836 270.616 4.4220 -9.706024      6.368999  
1 1 1 -5  -5  5  o 366.293 4.3035 6630.33  155.592 6557.78  220.031 6702.89  220.051 364.038 6.1236 368.054 6.0573 -4.016357      8.613281  
1 1 1 -5  -5  6  o 361.748 4.2790 6469.01  152.786 6516.40  216.116 6421.66  216.027 362.773 6.0356 360.118 6.0776 2.655090       8.565334  
1 1 1 -5  -5  7  o 290.471 3.4641 4169.76  99.319  4071.63  140.457 4267.88  140.459 286.825 4.9613 293.675 4.8456 -6.850189      6.935009  
1 1 1 -5  -5  8  o 53.351  0.6482 140.478  3.4133  148.774  4.8296  132.200  4.8246  54.902  0.8912 51.753  0.9445 3.148819       1.298593  
1 1 1 -5  -5  9  o 157.013 1.9607 1217.41  30.386  1209.55  42.969  1225.28  42.975  156.457 2.7825 157.473 2.7649 -1.015671      3.922584  
1 1 1 -5  -5  10 o 139.629 2.5308 963.201  34.880  0.0000   0.0000  963.201  34.880  ?       ?      139.629 2.5308 0.000000       2.530836  
1 1 1 -5  -5  11 o 67.068  0.9629 222.027  6.3740  218.076  7.8267  229.809  10.983  66.466  1.1930 68.223  1.6311 -1.757240      2.020822  
1 1 1 -5  -5  12 o 135.570 1.9656 907.713  26.303  879.416  44.284  923.137  32.695  133.347 3.3646 136.691 2.4233 -3.344589      4.146423  
1 1 1 -5  -5  13 o 103.246 1.7473 526.424  17.806  536.730  25.416  516.489  24.954  104.218 2.4707 102.234 2.4730 1.984108       3.495721  
1 1 1 -5  -5  14 o 57.125  1.1688 161.106  6.5901  144.936  9.3280  177.220  9.3118  54.170  1.7446 59.905  1.5748 -5.734581      2.350253  
1 1 1 -5  -5  15 o 95.377  2.3640 449.808  22.255  443.305  23.088  535.091  83.604  94.677  2.4706 102.594 8.3279 -7.917152      8.686662  
1 1 1 -5  -5  16 o 123.806 6.4695 772.520  78.783  778.132  111.454 766.916  111.378 122.938 9.2528 122.008 9.3191 0.9300308      13.13237  
1 1 1 -5  -5  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -5  18 o 89.337  6.2092 404.438  54.412  412.253  76.958  396.625  76.942  89.015  8.8775 87.198  9.0725 1.816261       12.69334  
1 1 1 -5  -4  1  o 285.060 8.0654 4026.91  226.932 4020.07  320.925 4033.75  320.935 284.226 11.439 284.713 11.420 -0.4873047     16.16430  
1 1 1 -5  -4  2  o 376.426 9.4609 7028.42  351.516 7093.68  497.125 6963.18  497.112 377.227 13.352 373.705 13.477 3.521210       18.97079  
1 1 1 -5  -4  3  o 218.913 3.4862 2366.67  75.329  2280.05  106.460 2453.53  106.602 214.793 5.0215 222.825 4.8470 -8.032135      6.979149  
1 1 1 -5  -4  4  o 487.596 5.6129 11754.77 270.133 11247.04 381.989 12262.70 382.062 476.476 8.1223 497.603 7.7789 -21.12750      11.24644  
1 1 1 -5  -4  5  o 212.505 2.5934 2229.61  54.397  2265.19  76.958  2194.08  76.901  214.150 3.6409 210.759 3.6967 3.390549       5.188567  
1 1 1 -5  -4  6  o 271.731 3.5753 3647.59  95.892  3693.64  135.657 3601.60  135.567 273.310 5.0287 269.877 5.0893 3.433258       7.154595  
1 1 1 -5  -4  7  o 128.089 1.5997 809.914  20.225  775.121  28.589  844.770  28.615  125.291 2.3118 130.801 2.2164 -5.510712      3.202602  
1 1 1 -5  -4  8  o 261.971 3.1914 3391.27  82.521  3307.49  116.682 3475.12  116.725 258.543 4.5723 265.030 4.4620 -6.487305      6.388737  
1 1 1 -5  -4  9  o 116.259 1.6565 667.318  19.008  681.346  32.108  659.748  23.586  117.432 2.7701 115.585 2.0674 1.847244       3.456498  
1 1 1 -5  -4  10 o 186.454 2.8492 1717.98  52.436  1634.33  64.250  1884.82  90.740  181.790 3.5807 195.077 4.7126 -13.28699      5.918622  
1 1 1 -5  -4  11 o 81.896  6.1660 334.994  49.477  335.044  69.879  334.943  70.062  81.396  8.8400 81.378  8.8661 0.1787567E-01  12.52008  
1 1 1 -5  -4  12 o 101.596 6.2649 514.901  62.517  512.403  88.340  517.408  88.486  100.785 8.9741 101.287 8.9427 -0.5021515     12.66913  
1 1 1 -5  -4  13 o 100.450 6.2357 503.689  61.520  488.797  86.787  518.731  87.220  98.332  9.0432 101.382 8.8035 -3.050781      12.62067  
1 1 1 -5  -4  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -4  15 o 24.630  6.9730 31.168   17.718  26.914   25.474  35.154   24.661  24.440  8.5568 26.572  8.3992 -2.131548      11.99025  
1 1 1 -5  -4  16 o 126.625 6.4566 806.289  80.429  800.022  113.761 812.553  113.727 124.900 9.2943 125.919 9.2143 -1.019035      13.08770  
1 1 1 -5  -4  17 o 70.338  6.3261 250.763  43.450  243.155  61.391  258.399  61.504  68.211  9.3656 70.472  9.0512 -2.261551      13.02454  
1 1 1 -5  -4  18 o 63.129  6.4723 203.025  39.759  205.271  55.525  200.662  56.959  62.489  9.2845 61.610  9.6861 0.8789444      13.41722  
1 1 1 -5  -3  1  o 162.342 6.5379 1304.70  104.762 1321.53  148.160 1287.88  148.151 162.874 9.2543 160.760 9.3774 2.114014       13.17485  
1 1 1 -5  -3  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  -3  3  o 365.122 10.730 6621.19  386.680 6346.11  669.675 6758.78  473.611 354.504 19.210 368.344 13.027 -13.84000      23.21054  
1 1 1 -5  -3  4  o 102.376 6.0511 520.105  60.874  526.745  86.090  513.464  86.089  102.750 8.5667 101.422 8.6834 1.328506       12.19790  
1 1 1 -5  -3  5  o 50.975  6.0246 130.301  29.727  128.106  41.995  132.504  42.084  50.105  8.8133 51.002  8.6702 -0.8969536     12.36312  
1 1 1 -5  -3  6  o 96.149  6.0753 459.181  57.360  476.206  81.165  442.194  81.073  97.628  8.5079 94.002  8.8418 3.625999       12.27038  
1 1 1 -5  -3  7  o 133.905 6.3419 887.939  83.821  885.368  118.457 890.517  118.625 133.173 9.0658 133.563 9.0516 -0.3906708     12.81093  
1 1 1 -5  -3  8  o 177.656 6.8043 1565.54  119.316 1540.47  169.733 1590.03  167.761 175.477 9.8394 178.352 9.5646 -2.875214      13.72205  
1 1 1 -5  -3  9  o 52.861  7.1268 141.313  36.237  102.015  62.672  161.049  44.414  44.604  13.261 56.289  8.2379 -11.68518      15.61141  
1 1 1 -5  -3  10 o 96.027  2.3406 455.476  22.185  450.978  83.543  455.817  23.011  94.572  9.0608 96.060  2.4269 -1.488457      9.380154  
1 1 1 -5  -3  11 o 89.188  1.1588 392.660  10.202  413.971  14.502  371.782  14.354  91.567  1.6045 86.774  1.6758 4.792961       2.320129  
1 1 1 -5  -3  12 o 153.086 2.5948 1157.93  39.207  1177.87  40.773  913.251  142.827 154.392 2.6756 134.237 10.873 20.15520       11.19744  
1 1 1 -5  -3  13 o 24.971  1.0478 30.780   2.5826  33.539   4.1202  28.994   3.3145  26.013  1.6127 24.194  1.3939 1.818937       2.131578  
1 1 1 -5  -3  14 o 74.120  1.0653 271.190  7.7940  288.208  11.451  256.500  10.639  76.400  1.5185 72.076  1.4954 4.324585       2.131204  
1 1 1 -5  -3  15 o 152.592 1.9082 1150.23  28.741  1159.46  40.715  1141.06  40.576  153.131 2.6938 151.910 2.7061 1.220978       3.818319  
1 1 1 -5  -3  16 o 31.416  1.3308 48.737   4.1266  45.777   6.1964  51.096   5.5319  30.362  2.0802 32.112  1.7519 -1.749834      2.719619  
1 1 1 -5  -3  17 o 99.427  1.3722 488.291  13.466  491.796  19.039  484.782  19.049  99.742  1.9339 99.026  1.9489 0.7150803      2.745561  
1 1 1 -5  -3  18 o 124.178 1.7252 762.177  21.146  803.532  30.142  722.100  29.673  127.413 2.3967 120.770 2.4892 6.642540       3.455503  
1 1 1 -5  -3  19 o 166.621 2.1573 1373.87  35.479  1391.65  49.473  1355.05  50.908  167.484 2.9927 165.229 3.1215 2.254562       4.324381  
1 1 1 -5  -2  1  o 32.515  5.9341 53.970   18.343  44.802   25.888  63.214   25.994  29.671  8.4386 35.018  7.7276 -5.347034      11.44223  
1 1 1 -5  -2  2  o 442.931 15.060 9831.06  658.415 9515.82  931.086 10146.36 931.192 431.631 21.927 446.723 21.119 -15.09207      30.44308  
1 1 1 -5  -2  3  o 194.020 6.8832 1862.89  131.816 1862.93  186.418 1862.85  186.415 193.506 9.7921 193.502 9.7921 0.3890991E-02  13.84813  
1 1 1 -5  -2  4  o 319.657 8.5717 5063.06  270.449 5085.30  382.487 5040.83  382.459 319.719 12.120 318.307 12.173 1.412109       17.17817  
1 1 1 -5  -2  5  o 327.346 8.7160 5311.29  281.615 5365.09  398.815 5257.78  397.716 328.296 12.308 324.975 12.399 3.320709       17.47037  
1 1 1 -5  -2  6  o 245.431 4.8177 2977.10  116.708 2550.70  254.124 3091.07  131.383 226.139 11.422 250.045 5.3234 -23.90634      12.60169  
1 1 1 -5  -2  7  o 291.461 3.8418 4197.03  110.521 4204.39  156.342 4189.67  156.260 291.555 5.4328 291.044 5.4394 0.5114136      7.687824  
1 1 1 -5  -2  8  o 337.462 3.9580 5628.81  131.838 5546.26  186.398 5711.45  186.496 334.715 5.6420 339.677 5.5625 -4.962616      7.922956  
1 1 1 -5  -2  9  o 104.191 1.3023 535.861  13.393  545.625  18.977  526.171  18.905  105.125 1.8289 103.233 1.8554 1.891655       2.605226  
1 1 1 -5  -2  10 o 91.239  1.1563 410.912  10.413  420.561  14.750  401.324  14.703  92.295  1.6192 90.159  1.6522 2.136253       2.313358  
1 1 1 -5  -2  11 o 147.783 1.9516 1078.51  28.468  1065.77  40.254  1091.25  40.265  146.861 2.7769 148.608 2.7451 -1.747040      3.904698  
1 1 1 -5  -2  12 o 268.438 3.6777 3564.56  97.445  3435.74  122.598 3785.58  160.581 263.345 4.7166 276.131 5.8918 -12.78610      7.547096  
1 1 1 -5  -2  13 o 201.852 2.5010 2013.10  49.829  1982.72  70.458  2043.51  70.480  200.204 3.5655 203.257 3.5131 -3.052933      5.005460  
1 1 1 -5  -2  14 o 151.293 1.9205 1130.48  28.679  1141.34  40.585  1119.65  40.531  151.962 2.7058 150.509 2.7283 1.452545       3.842506  
1 1 1 -5  -2  15 o 133.106 1.7926 875.051  23.551  879.706  33.309  870.396  33.304  133.409 2.5295 132.701 2.5427 0.7088470      3.586615  
1 1 1 -5  -2  16 o 64.706  1.0438 206.699  6.6666  212.804  9.5268  200.841  9.3322  65.644  1.4704 63.772  1.4826 1.872143       2.088066  
1 1 1 -5  -2  17 o 60.474  1.2841 180.606  7.6649  200.253  15.032  173.702  8.9104  63.625  2.3935 59.299  1.5224 4.326588       2.836648  
1 1 1 -5  -2  18 o 160.678 2.0623 1276.84  32.706  1248.20  46.177  1305.68  46.331  158.690 2.9481 162.316 2.8918 -3.626099      4.129667  
1 1 1 -5  -2  19 o 45.253  1.3138 101.161  5.8681  108.481  8.0310  92.776   8.5952  46.845  1.7369 43.309  2.0107 3.535675       2.656987  
1 1 1 -5  -1  1  o 233.027 2.9171 2682.09  67.096  2663.48  91.305  2703.94  98.929  232.133 3.9850 233.862 4.2858 -1.728622      5.852165  
1 1 1 -5  -1  2  o 179.646 2.4872 1593.44  44.102  1537.72  60.281  1657.62  64.691  176.439 3.4614 183.182 3.5779 -6.743835      4.978220  
1 1 1 -5  -1  3  o 290.433 4.4617 4168.00  127.903 4195.90  138.975 4013.56  326.990 291.373 4.8323 283.989 11.665 7.383331       12.62665  
1 1 1 -5  -1  4  o 270.385 3.5373 3610.54  94.405  3589.95  133.592 3631.09  133.425 269.518 5.0218 271.060 4.9870 -1.542542      7.077331  
1 1 1 -5  -1  5  o 485.811 5.5391 11667.62 265.606 11392.06 375.609 11943.23 375.638 479.607 7.9345 491.112 7.7492 -11.50485      11.09077  
1 1 1 -5  -1  6  o 197.292 2.4852 1921.79  48.396  1908.22  65.392  1938.22  71.965  196.561 3.3705 198.085 3.6807 -1.524780      4.990798  
1 1 1 -5  -1  7  o 82.672  1.0999 337.328  8.9753  335.327  12.744  339.296  12.642  82.423  1.5665 82.909  1.5448 -0.4864960     2.200135  
1 1 1 -5  -1  8  o 63.212  0.8759 197.211  5.4647  195.611  7.7785  198.771  7.6790  62.953  1.2518 63.459  1.2260 -0.5065765     1.752163  
1 1 1 -5  -1  9  f 180.220 2.2326 1603.82  39.714  1585.01  56.164  1622.63  56.165  179.108 3.1770 181.223 3.1399 -2.115158      4.466771  
1 1 1 -5  -1  10 o 338.731 3.9792 5675.15  133.040 5856.66  188.094 5493.44  188.198 343.746 5.5438 332.868 5.7281 10.87808       7.971475  
1 1 1 -5  -1  11 o 35.710  0.8048 62.940   2.8368  59.961   3.7907  66.733   4.2769  34.853  1.1019 36.768  1.1785 -1.915054      1.613394  
1 1 1 -5  -1  12 o 109.920 1.4243 596.492  15.453  606.599  21.892  586.453  21.817  110.828 2.0013 108.971 2.0284 1.856972       2.849451  
1 1 1 -5  -1  13 o 77.480  1.0418 296.323  7.9674  316.100  11.400  277.439  11.140  80.016  1.4434 74.962  1.5056 5.054039       2.085718  
1 1 1 -5  -1  14 o 39.685  0.9646 77.740   3.7786  73.922   5.1727  82.109   5.5329  38.695  1.3543 40.781  1.3745 -2.086197      1.929660  
1 1 1 -5  -1  15 o 100.484 1.3272 498.502  13.163  520.438  18.814  477.470  18.422  102.652 1.8569 98.321  1.8983 4.330444       2.655477  
1 1 1 -5  -1  16 o 58.363  1.2616 168.177  7.2675  182.021  9.3427  146.963  11.565  60.710  1.5591 54.535  2.1485 6.175526       2.654575  
1 1 1 -5  -1  17 o 90.180  1.3041 401.600  11.608  417.163  16.737  387.177  16.112  91.882  1.8455 88.518  1.8441 3.363708       2.608952  
1 1 1 -5  -1  18 o 82.837  1.3187 338.930  10.782  358.457  15.419  320.242  15.084  85.157  1.8344 80.485  1.8987 4.671761       2.640088  
1 1 1 -5  -1  19 o 33.355  2.3977 55.360   7.8412  51.598   8.8012  69.836   17.265  32.146  2.8018 37.086  4.8314 -4.939674      5.585038  
1 1 1 -5  -1  20 f 109.308 6.3734 606.522  68.466  593.847  96.829  619.195  96.820  106.511 9.3038 108.914 9.0894 -2.403168      13.00680  
1 1 1 -5  0   1  o 166.680 2.1669 1371.76  35.649  1326.32  50.378  1417.34  50.453  163.855 3.1149 169.389 3.0176 -5.534348      4.336941  
1 1 1 -5  0   2  o 117.791 1.7326 684.906  20.143  694.336  28.504  675.499  28.470  118.585 2.4352 116.964 2.4661 1.620384       3.465808  
1 1 1 -5  0   3  o 343.915 4.6370 5845.43  157.405 5814.40  208.823 5886.25  239.533 342.815 6.1714 344.798 7.0383 -1.982666      9.360764  
1 1 1 -5  0   4  o 76.402  1.0658 288.097  8.0375  293.746  12.068  283.593  10.775  77.144  1.5848 75.800  1.4402 1.343964       2.141470  
1 1 1 -5  0   5  o 216.759 2.7764 2319.76  59.400  2281.53  86.494  2353.89  81.718  214.912 4.0775 218.307 3.7924 -3.395050      5.568527  
1 1 1 -5  0   6  o 504.872 5.9928 12606.34 298.636 12241.77 439.453 12919.16 407.074 496.866 8.9607 510.655 8.0763 -13.78867      12.06317  
1 1 1 -5  0   7  o 184.897 2.4381 1687.85  44.495  1653.64  59.875  1730.04  66.495  182.984 3.3151 187.151 3.5997 -4.167282      4.893655  
1 1 1 -5  0   8  o 114.879 1.4516 651.413  16.460  630.701  23.251  672.222  23.305  113.027 2.0841 116.690 2.0234 -3.662384      2.904784  
1 1 1 -5  0   9  o 189.520 2.3448 1773.63  43.862  1733.71  62.021  1813.56  62.038  187.318 3.3545 191.588 3.2806 -4.269714      4.692029  
1 1 1 -5  0   10 o 139.426 1.7344 959.762  23.868  952.882  33.748  966.649  33.762  138.897 2.4616 139.898 2.4451 -1.000519      3.469558  
1 1 1 -5  0   11 o 91.183  1.1245 410.408  10.120  391.132  14.195  430.336  14.433  89.006  1.6157 93.362  1.5662 -4.355339      2.250258  
1 1 1 -5  0   12 o 102.827 1.3633 521.983  13.837  513.634  19.617  530.248  19.519  101.985 1.9488 103.622 1.9084 -1.637573      2.727596  
1 1 1 -5  0   13 o 151.037 1.9094 1126.57  28.465  1113.06  40.209  1140.14  40.301  150.079 2.7144 151.895 2.6881 -1.816742      3.820171  
1 1 1 -5  0   14 o 146.417 2.4593 1059.23  35.541  713.302  129.382 1087.47  36.964  118.306 11.214 148.351 2.5243 -30.04448      11.49432  
1 1 1 -5  0   15 o 181.892 2.2345 1634.54  40.117  1613.83  56.678  1655.33  56.790  180.637 3.1789 182.949 3.1449 -2.312042      4.471675  
1 1 1 -5  0   16 o 104.293 6.2902 544.185  64.449  549.768  91.328  538.647  90.963  104.108 8.9753 103.024 9.0366 1.084641       12.73639  
1 1 1 -5  0   17 o 36.919  6.9934 70.536   24.551  84.000   35.247  57.848   34.218  39.936  9.1395 33.365  9.7666 6.570736       13.37596  
1 1 1 -5  0   18 o 29.035  7.1017 44.195   20.184  38.363   29.698  49.201   27.516  27.909  9.2490 30.644  8.6946 -2.734608      12.69412  
1 1 1 -5  0   19 o 37.786  2.0667 70.832   7.6789  52.262   14.032  78.770   9.1744  32.054  4.5641 39.824  2.3443 -7.770100      5.130989  
1 1 1 -5  0   20 o 85.238  1.4390 359.009  12.107  365.342  17.242  352.849  17.004  85.934  2.0328 84.451  2.0400 1.482773       2.879877  
1 1 1 -5  1   1  o 210.678 2.9260 2192.39  60.845  2155.12  90.017  2223.74  82.562  208.768 4.3684 212.104 3.9437 -3.335449      5.885194  
1 1 1 -5  1   2  o 178.524 2.6135 1573.78  46.052  1490.72  65.040  1657.29  65.214  173.694 3.7937 183.151 3.6074 -9.457352      5.235056  
1 1 1 -5  1   3  o 220.006 2.9057 2390.13  63.099  2476.68  98.837  2330.59  81.980  223.865 4.4730 217.202 3.8239 6.663010       5.884759  
1 1 1 -5  1   4  o 78.202  1.6680 301.860  12.875  0.0000   0.0000  301.860  12.875  ?       ?      78.202  1.6680 0.000000       1.667990  
1 1 1 -5  1   5  o 138.172 1.9873 942.410  27.103  944.193  37.314  940.418  39.433  138.289 2.7337 138.009 2.8948 0.2802734      3.981624  
1 1 1 -5  1   6  o 322.180 4.2144 5128.08  134.020 5100.65  172.148 5170.29  213.536 321.206 5.4298 323.246 6.6928 -2.039886      8.618350  
1 1 1 -5  1   7  o 377.336 4.8546 7038.44  180.806 7123.86  250.679 6945.82  261.031 379.337 6.6951 374.502 7.0616 4.835938       9.730961  
1 1 1 -5  1   8  o 114.826 1.4317 650.806  16.226  620.159  22.763  682.466  23.136  112.080 2.0577 117.577 1.9936 -5.496765      2.865017  
1 1 1 -5  1   9  o 109.189 1.4031 588.499  15.122  578.594  21.356  598.459  21.415  108.255 1.9986 110.099 1.9706 -1.843323      2.806752  
1 1 1 -5  1   10 o 141.065 1.7760 982.459  24.728  1012.85  35.037  952.291  34.906  143.203 2.4788 138.853 2.5469 4.350388       3.554013  
1 1 1 -5  1   11 o 96.539  1.2663 460.064  12.066  441.207  17.043  479.018  17.086  94.528  1.8266 98.497  1.7575 -3.969078      2.534790  
1 1 1 -5  1   12 o 139.240 2.1353 957.572  29.346  967.743  36.024  937.505  50.601  139.951 2.6078 137.664 3.7240 2.286743       4.546267  
1 1 1 -5  1   13 o 151.768 2.2115 1137.76  33.128  1126.22  41.223  1158.80  55.663  150.959 2.7666 153.045 3.6848 -2.085999      4.607830  
1 1 1 -5  1   14 o 99.348  6.2696 492.683  61.164  472.545  86.405  512.908  86.592  96.662  9.1659 100.834 8.7882 -4.172096      12.69830  
1 1 1 -5  1   15 o 175.094 6.8483 1528.01  118.356 1475.36  166.112 1582.30  168.679 170.877 9.8911 177.063 9.6883 -6.185684      13.84552  
1 1 1 -5  1   16 o 193.841 3.6882 1860.56  70.565  1859.23  100.074 1861.86  99.517  193.444 5.2412 193.589 5.2081 -0.1448822     7.388840  
1 1 1 -5  1   17 o 61.998  1.3035 189.796  7.9769  192.854  11.990  187.368  10.685  62.475  1.9444 61.587  1.7577 0.8883476      2.621090  
1 1 1 -5  1   18 o 67.503  1.3275 225.041  8.8447  229.975  12.730  220.436  12.298  68.213  1.8908 66.784  1.8656 1.428413       2.656195  
1 1 1 -5  1   19 o 33.020  1.8473 54.074   5.9968  53.379   8.4147  54.792   8.5483  32.724  2.6273 33.157  2.6337 -0.4324646     3.720119  
1 1 1 -5  1   20 o 66.307  1.4339 217.244  9.3843  222.510  13.784  212.693  12.812  67.062  2.0823 65.574  1.9795 1.488098       2.873107  
1 1 1 -5  2   1  o 214.670 2.9777 2276.25  63.093  2300.00  94.478  2257.13  84.765  215.673 4.4381 213.690 4.0188 1.982773       5.987316  
1 1 1 -5  2   2  o 25.371  0.7663 31.769   1.9190  35.042   2.8858  29.173   2.5695  26.646  1.0973 24.312  1.0708 2.333530       1.533145  
1 1 1 -5  2   3  o 247.837 3.3469 3033.66  81.873  3029.94  118.740 3037.03  113.041 247.580 4.8590 247.889 4.6200 -0.3086853     6.704850  
1 1 1 -5  2   4  o 337.042 4.8287 5614.10  160.639 5775.08  231.491 5464.59  223.097 341.596 6.8657 332.295 6.8020 9.301056       9.664661  
1 1 1 -5  2   5  o 130.123 2.3314 835.881  29.943  0.0000   0.0000  835.881  29.943  ?       ?      130.123 2.3314 0.000000       2.331387  
1 1 1 -5  2   6  o 297.037 3.9143 4358.33  114.762 4231.89  162.291 4484.79  162.305 292.555 5.6202 301.186 5.4596 -8.630768      7.835472  
1 1 1 -5  2   7  o 65.599  0.9336 212.384  6.0452  231.127  8.7179  195.025  8.3899  68.430  1.2907 62.859  1.3523 5.571548       1.869372  
1 1 1 -5  2   8  o 113.754 1.5772 638.726  17.709  656.427  26.167  623.766  24.055  115.307 2.2991 112.404 2.1682 2.902687       3.160190  
1 1 1 -5  2   9  o 189.122 2.5171 1766.25  46.988  1696.06  67.705  1831.47  65.264  185.261 3.7025 192.532 3.4343 -7.271027      5.050053  
1 1 1 -5  2   10 o 103.375 1.4525 527.529  14.821  514.800  22.291  537.613  19.841  102.103 2.2119 104.348 1.9264 -2.245293      2.933174  
1 1 1 -5  2   11 o 181.354 2.5393 1624.71  45.454  1599.51  56.662  1670.21  76.129  179.891 3.1912 183.721 4.1982 -3.830261      5.273357  
1 1 1 -5  2   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  2   13 o 103.768 6.3623 537.302  64.850  560.788  91.012  513.081  92.427  105.498 8.8212 100.735 9.4045 4.762451       12.89411  
1 1 1 -5  2   14 o 111.599 1.4170 614.883  15.608  644.396  22.394  587.004  21.766  114.225 1.9863 109.018 2.0228 5.206779       2.834961  
1 1 1 -5  2   15 o 79.862  1.3180 314.874  10.389  307.131  14.363  323.371  15.046  78.860  1.8453 80.916  1.8839 -2.056808      2.637042  
1 1 1 -5  2   16 o 165.632 2.6003 1356.11  42.510  1333.13  51.992  1402.45  73.836  164.154 3.2089 168.177 4.4480 -4.023163      5.484674  
1 1 1 -5  2   17 o 124.983 1.6674 771.546  20.570  789.134  28.887  753.454  29.298  126.351 2.3163 123.454 2.4043 2.897026       3.338572  
1 1 1 -5  2   18 o 37.561  1.8004 69.717   6.6749  69.559   8.9827  69.911   9.9744  37.420  2.4455 37.486  2.7141 -0.6658173E-01 3.653358  
1 1 1 -5  2   19 o 67.062  1.3795 222.165  9.1314  207.310  12.737  237.877  13.099  64.747  1.9930 69.362  1.9133 -4.614822      2.762686  
1 1 1 -5  2   20 o 91.562  1.4859 414.276  13.429  421.749  18.995  406.809  18.986  92.327  2.0844 90.673  2.1214 1.654114       2.974121  
1 1 1 -5  2   21 o 25.921  2.8226 33.725   7.1048  36.527   10.422  31.292   9.7111  26.762  4.0740 24.719  4.1257 2.043884       5.798188  
1 1 1 -5  3   1  o 222.415 2.9622 2443.17  65.029  2406.61  91.981  2479.71  91.948  220.661 4.2232 223.992 4.1589 -3.331528      5.927207  
1 1 1 -5  3   2  o 161.592 2.4588 1289.26  39.217  1251.88  55.461  1326.64  55.461  159.194 3.5296 163.883 3.4286 -4.689072      4.920750  
1 1 1 -5  3   3  o 183.552 2.4601 1663.39  44.571  1650.96  63.011  1675.84  63.055  182.827 3.4918 184.201 3.4681 -1.373535      4.921400  
1 1 1 -5  3   4  o 72.879  1.0137 262.139  7.2918  265.325  10.281  258.914  10.344  73.318  1.4207 72.427  1.4469 0.8913193      2.027772  
1 1 1 -5  3   5  o 223.374 2.9848 2463.74  65.809  2327.04  92.988  2600.91  93.148  217.026 4.3409 229.454 4.1129 -12.42841      5.979906  
1 1 1 -5  3   6  o 320.083 17.499 5164.67  550.770 0.0000   0.0000  5164.67  550.770 ?       ?      320.083 17.499 0.000000       17.49938  
1 1 1 -5  3   7  o 187.832 2.6977 1742.04  50.015  1714.17  72.138  1767.83  69.404  186.272 3.9236 189.175 3.7170 -2.903030      5.404679  
1 1 1 -5  3   8  o 182.802 2.4934 1649.94  44.990  1689.83  61.469  1603.91  66.024  184.963 3.3670 180.183 3.7124 4.779892       5.011832  
1 1 1 -5  3   9  o 292.367 4.0073 4224.94  115.643 4260.64  173.096 4196.15  155.416 293.327 5.9786 291.188 5.4074 2.138672       8.061269  
1 1 1 -5  3   10 o 89.427  9.0841 402.594  79.070  402.594  79.070  0.0000   0.0000  89.427  9.0841 ?       ?      0.000000       9.084087  
1 1 1 -5  3   11 o 320.546 12.380 5187.17  391.707 5187.17  391.707 0.0000   0.0000  320.546 12.380 ?       ?      0.000000       12.38048  
1 1 1 -5  3   12 o 103.765 1.5048 531.592  15.412  537.882  22.740  526.248  20.961  104.354 2.2078 103.225 2.0573 1.128929       3.017746  
1 1 1 -5  3   13 o 191.047 2.3669 1803.16  44.633  1791.40  63.090  1814.95  63.152  190.323 3.3584 191.572 3.3398 -1.248917      4.736396  
1 1 1 -5  3   14 o 332.939 3.9550 5487.42  129.971 5479.44  183.785 5495.40  183.828 332.183 5.6053 332.669 5.5984 -0.4856567     7.922229  
1 1 1 -5  3   15 o 146.320 1.9480 1057.45  28.134  1025.22  39.699  1089.98  39.877  144.012 2.7929 148.497 2.7206 -4.484894      3.898957  
1 1 1 -5  3   16 o 115.084 1.6612 654.062  18.870  629.697  26.548  678.940  26.826  112.881 2.3827 117.216 2.3186 -4.334885      3.324655  
1 1 1 -5  3   17 o 96.838  1.5130 463.110  14.462  461.661  20.616  464.513  20.292  96.654  2.1610 96.954  2.1204 -0.3005295     3.027567  
1 1 1 -5  3   18 o 156.722 2.0726 1214.13  32.061  1262.85  45.489  1166.03  45.196  159.715 2.8855 153.454 2.9839 6.260895       4.150886  
1 1 1 -5  3   19 o 36.124  2.1079 64.762   7.4831  73.373   10.832  56.901   10.349  38.372  2.8811 33.729  3.1450 4.643860       4.265192  
1 1 1 -5  3   20 o 89.452  1.5916 395.488  14.053  399.949  19.876  391.030  19.871  89.890  2.2402 88.879  2.2651 1.010857       3.185757  
1 1 1 -5  3   21 o 50.337  1.7527 125.301  8.7082  128.091  12.156  122.360  12.481  50.847  2.4220 49.621  2.5570 1.226448       3.522009  
1 1 1 -5  4   1  o 162.792 1.9834 1308.26  31.870  1335.42  45.120  1281.22  45.021  164.451 2.7797 161.077 2.8317 3.373337       3.968059  
1 1 1 -5  4   2  o 60.874  0.9569 182.891  5.7496  175.984  8.1609  189.698  8.1018  59.711  1.3847 61.995  1.3240 -2.283241      1.915812  
1 1 1 -5  4   3  o 348.451 4.5544 6000.14  156.642 5936.63  255.412 6038.43  198.316 346.215 7.4742 349.424 5.7501 -3.209045      9.430071  
1 1 1 -5  4   4  f 201.168 2.6850 1998.08  53.313  1939.49  75.320  2056.90  75.472  198.151 3.8511 204.066 3.7470 -5.914444      5.373154  
1 1 1 -5  4   5  o 478.578 5.9249 11327.23 279.875 11107.83 395.614 11547.05 395.994 473.402 8.4666 482.709 8.3113 -9.306366      11.86427  
1 1 1 -5  4   6  o 263.927 3.2502 3440.01  84.669  3460.32  125.360 3422.97  114.814 264.602 4.7999 263.199 4.4195 1.402771       6.524660  
1 1 1 -5  4   7  o 395.042 8.1990 7737.37  319.697 7737.37  319.697 0.0000   0.0000  395.042 8.1990 ?       ?      0.000000       8.199027  
1 1 1 -5  4   8  o 186.856 14.000 1758.46  256.333 0.0000   0.0000  1758.46  256.333 ?       ?      186.856 14.000 0.000000       14.00015  
1 1 1 -5  4   9  o 132.517 9.0765 877.524  118.005 0.0000   0.0000  877.524  118.005 ?       ?      132.517 9.0765 0.000000       9.076530  
1 1 1 -5  4   10 o 185.884 3.2887 1707.50  60.338  1733.74  90.725  1686.68  80.798  187.155 4.9113 184.648 4.4333 2.507309       6.616205  
1 1 1 -5  4   11 o 94.491  1.3306 440.762  12.410  440.780  17.481  440.743  17.621  94.481  1.8745 94.477  1.8896 0.4371643E-02  2.661629  
1 1 1 -5  4   12 o 72.553  1.1984 259.852  8.5818  262.948  11.848  256.435  12.447  72.976  1.6449 72.064  1.7499 0.9117432      2.401630  
1 1 1 -5  4   13 o 159.697 2.0692 1259.66  32.617  1238.22  44.946  1283.51  47.406  158.273 2.8771 161.132 2.9807 -2.859131      4.142738  
1 1 1 -5  4   14 o 99.770  1.4582 491.460  14.360  507.725  20.455  475.654  20.164  101.386 2.0440 98.131  2.0818 3.255844       2.917483  
1 1 1 -5  4   15 o 179.410 2.2404 1590.24  39.673  1576.23  56.129  1604.22  56.083  178.519 3.1855 180.101 3.1549 -1.581711      4.483335  
1 1 1 -5  4   16 o 75.921  1.3706 284.591  10.271  278.720  14.414  290.646  14.638  75.117  1.9440 76.707  1.9334 -1.590630      2.741781  
1 1 1 -5  4   17 o 96.459  1.9507 459.683  18.573  291.588  79.572  469.368  19.100  74.847  11.108 97.468  1.9854 -22.62135      11.28401  
1 1 1 -5  4   18 o 41.735  1.8091 86.064   7.4524  80.327   11.160  90.681   10.012  40.186  2.8316 42.755  2.3819 -2.568775      3.700195  
1 1 1 -5  4   19 o 117.207 1.7236 678.950  19.940  679.741  28.125  678.151  28.274  117.193 2.4314 117.053 2.4472 0.1393204      3.449744  
1 1 1 -5  4   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  4   21 o 25.618  7.4341 34.332   19.902  13.258   27.525  57.422   28.811  21.452  8.5815 32.716  8.7513 -11.26392      12.25670  
1 1 1 -5  5   1  o 208.251 2.5754 2141.23  52.938  2124.75  74.925  2157.65  74.806  207.402 3.6600 209.003 3.6262 -1.601273      5.152163  
1 1 1 -5  5   2  o 217.818 2.6646 2342.54  57.287  2368.22  81.053  2316.91  80.978  218.959 3.7504 216.572 3.7882 2.387207       5.330625  
1 1 1 -5  5   3  o 53.120  0.9897 139.268  5.1892  143.787  7.6139  135.348  7.0912  53.973  1.4292 52.366  1.3720 1.607510       1.981126  
1 1 1 -5  5   4  o 278.984 3.4625 3843.98  95.347  3879.65  129.456 3801.70  140.959 280.190 4.6810 277.322 5.1496 2.868042       6.959165  
1 1 1 -5  5   5  o 133.970 1.8744 885.955  24.785  874.516  35.153  897.263  34.951  133.087 2.6760 134.808 2.6267 -1.720825      3.749782  
1 1 1 -5  5   6  o 290.589 8.1511 4185.55  233.790 4343.89  330.780 4027.49  330.479 295.434 11.343 284.379 11.774 11.05493       16.34913  
1 1 1 -5  5   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  5   8  o 191.337 6.9033 1813.73  130.374 1808.99  184.371 1818.47  184.382 190.461 9.8410 190.966 9.8152 -0.5055847     13.89902  
1 1 1 -5  5   9  o 218.092 2.9358 2349.41  63.197  2247.86  87.435  2460.49  91.448  213.234 4.1543 223.091 4.1529 -9.857468      5.874096  
1 1 1 -5  5   10 o 150.355 1.9910 1116.24  29.547  1115.08  40.221  1117.60  43.550  150.245 2.7122 150.403 2.9336 -0.1583557     3.995198  
1 1 1 -5  5   11 o 184.773 2.3764 1686.39  43.341  1639.29  63.169  1728.30  59.575  182.079 3.5149 186.985 3.2279 -4.905975      4.772203  
1 1 1 -5  5   12 o 46.758  1.2386 107.929  5.7166  104.215  7.9018  112.008  8.2805  45.940  1.7426 47.627  1.7615 -1.686489      2.477779  
1 1 1 -5  5   13 o 153.587 2.1768 1165.24  33.000  1194.90  44.394  1128.61  49.332  155.474 2.8929 151.062 3.3086 4.411911       4.394956  
1 1 1 -5  5   14 o 29.960  1.3122 44.313   3.8804  54.214   7.9180  41.183   4.4516  33.033  2.4458 28.837  1.5699 4.196096       2.906320  
1 1 1 -5  5   15 o 49.012  1.1748 118.589  5.6833  120.964  7.9654  116.126  8.1113  49.494  1.6305 48.492  1.6947 1.001133       2.351690  
1 1 1 -5  5   16 o 159.436 2.1668 1255.96  34.099  1260.91  46.241  1250.06  50.486  159.674 2.9340 158.952 3.2179 0.7222137      4.354652  
1 1 1 -5  5   17 o 106.947 1.6104 564.882  16.999  528.160  23.860  602.733  24.224  103.370 2.3386 110.435 2.2223 -7.065010      3.226099  
1 1 1 -5  5   18 f 204.090 7.2721 2094.95  146.493 2132.42  205.849 2056.50  208.522 203.791 10.267 199.860 10.608 3.931259       14.76289  
1 1 1 -5  5   19 o 65.595  6.4365 218.473  41.136  206.854  57.667  230.511  58.698  62.749  9.6174 66.469  9.1929 -3.720406      13.30427  
1 1 1 -5  5   20 o 28.971  2.6938 41.957   7.6149  47.741   11.119  36.849   10.450  30.752  3.7403 26.900  4.0623 3.852583       5.521977  
1 1 1 -5  5   21 o 54.758  1.7953 148.300  9.7032  143.005  13.224  154.475  14.281  53.718  2.4941 55.821  2.5920 -2.103397      3.597105  
1 1 1 -5  6   1  o 125.658 1.6016 779.387  19.865  745.547  28.021  813.580  28.167  122.889 2.3101 128.375 2.2229 -5.486176      3.205904  
1 1 1 -5  6   2  o 365.459 4.5791 6600.08  165.178 6711.39  233.640 6488.85  233.555 368.293 6.4272 362.120 6.5344 6.173187       9.165506  
1 1 1 -5  6   3  o 230.438 4.3965 2623.83  99.998  2576.93  141.415 2670.74  141.423 228.225 6.2777 232.353 6.1665 -4.127289      8.799688  
1 1 1 -5  6   4  f 114.590 6.2825 651.594  70.787  676.012  100.943 627.968  99.294  116.416 8.8510 112.152 9.0468 4.264671       12.65643  
1 1 1 -5  6   5  o 329.752 8.7489 5393.39  284.757 5337.38  402.708 5449.41  402.706 327.190 12.470 330.641 12.340 -3.450745      17.54302  
1 1 1 -5  6   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  6   7  o 129.935 1.8003 833.421  23.090  842.009  34.457  826.422  31.107  130.584 2.6733 129.375 2.4360 1.208405       3.616705  
1 1 1 -5  6   8  o 196.107 2.9120 1899.38  56.366  1854.89  88.604  1929.62  73.055  193.687 4.6347 197.614 3.7454 -3.927063      5.958872  
1 1 1 -5  6   9  o 67.162  1.3442 222.657  8.9106  239.780  10.964  189.345  15.293  69.694  1.5939 61.920  2.5022 7.774395       2.966691  
1 1 1 -5  6   10 o 162.938 2.2308 1311.10  35.877  1200.63  49.768  1430.62  51.764  155.865 3.2350 170.151 3.0822 -14.28595      4.468249  
1 1 1 -5  6   11 o 166.826 2.3202 1374.70  38.205  1374.56  49.169  1374.92  60.695  166.769 2.9870 166.728 3.6882 0.4118347E-01  4.746060  
1 1 1 -5  6   12 o 95.289  1.4749 448.297  13.872  452.215  20.731  445.121  18.666  95.681  2.1952 94.935  1.9920 0.7459030      2.964246  
1 1 1 -5  6   13 o 160.401 2.0719 1270.85  32.802  1302.98  47.588  1241.76  45.276  162.342 2.9698 158.489 2.8943 3.852936       4.146886  
1 1 1 -5  6   14 o 144.791 2.1297 1035.64  30.436  998.494  44.015  1069.67  42.133  142.089 3.1384 147.089 2.9021 -4.999832      4.274529  
1 1 1 -5  6   15 o 178.193 2.5324 1569.36  44.541  1606.96  66.411  1538.62  60.050  180.161 3.7346 176.329 3.4503 3.831451       5.084501  
1 1 1 -5  6   16 o 143.170 2.6492 1013.38  37.438  1005.34  50.803  1022.92  55.382  142.493 3.6121 143.695 3.9048 -1.201050      5.319275  
1 1 1 -5  6   17 o 127.314 7.7208 816.568  96.565  791.131  117.635 869.122  169.087 124.603 9.6398 128.757 13.506 -4.153687      16.59323  
1 1 1 -5  6   18 o 137.537 2.6130 935.875  35.472  956.563  50.471  915.681  49.865  138.879 3.6819 135.872 3.7182 3.006760       5.232677  
1 1 1 -5  6   19 o 56.229  1.7614 156.266  9.7759  165.057  16.528  151.537  12.124  57.642  2.9145 55.347  2.2193 2.294518       3.663295  
1 1 1 -5  6   20 o 45.885  1.4591 104.040  6.6083  109.896  11.425  101.096  8.1008  47.037  2.4695 45.215  1.8152 1.822643       3.064870  
1 1 1 -5  6   21 o 129.129 1.9080 824.973  24.318  828.163  34.449  821.805  34.334  129.216 2.7010 128.719 2.7024 0.4972687      3.820762  
1 1 1 -5  6   22 o 103.463 1.8130 529.679  18.515  529.464  26.408  529.887  25.965  103.301 2.5900 103.352 2.5453 -0.5065155E-01 3.631351  
1 1 1 -5  7   1  o 104.743 6.1791 544.651  63.600  521.151  89.867  568.232  90.022  102.104 9.0095 106.705 8.6210 -4.600853      12.46965  
1 1 1 -5  7   2  o 140.020 6.3913 970.138  88.330  914.920  124.685 1025.77  125.153 135.451 9.3839 143.532 8.8776 -8.080750      12.91780  
1 1 1 -5  7   3  o 162.731 6.6484 1310.72  106.787 1359.89  151.242 1261.84  150.799 165.266 9.3095 159.125 9.6468 6.140945       13.40628  
1 1 1 -5  7   4  o 285.298 5.4616 4025.14  153.799 3698.53  320.281 4123.03  175.339 272.444 11.910 288.668 6.1538 -16.22311      13.40608  
1 1 1 -5  7   5  o 583.586 7.6826 16878.51 442.534 17111.92 625.892 16645.18 625.785 586.405 10.814 578.286 10.964 8.119263       15.39906  
1 1 1 -5  7   6  o 402.412 5.7090 8010.02  226.757 7793.85  335.358 8192.11  307.781 396.379 8.5716 406.588 7.6693 -10.20850      11.50177  
1 1 1 -5  7   7  o 68.031  1.2472 228.439  8.3745  213.104  11.724  244.411  11.966  65.703  1.8079 70.365  1.7229 -4.661896      2.497370  
1 1 1 -5  7   8  o 316.611 4.0593 4955.10  126.855 4976.71  179.290 4933.44  179.510 317.049 5.7292 315.662 5.7615 1.387085       8.125173  
1 1 1 -5  7   9  o 331.655 5.9250 5451.11  193.959 5299.45  410.507 5494.70  220.074 324.537 12.815 332.785 6.6999 -8.248383      14.46085  
1 1 1 -5  7   10 f 30.560  1.0992 46.097   3.3157  47.739   4.6476  44.395   4.7317  31.096  1.5142 29.944  1.6068 1.152298       2.207858  
1 1 1 -5  7   11 o 76.052  1.2970 285.533  9.7364  275.286  13.355  297.158  14.225  74.665  1.8121 77.573  1.8578 -2.908218      2.595263  
1 1 1 -5  7   12 o 241.654 3.2168 2887.85  76.728  2889.49  108.405 2886.21  108.614 241.477 4.5482 241.338 4.5596 0.1394958      6.440195  
1 1 1 -5  7   13 o 152.523 1.9976 1149.05  30.073  1130.26  42.481  1167.93  42.580  151.205 2.8464 153.707 2.8066 -2.502487      3.997349  
1 1 1 -5  7   14 o 49.775  1.2355 122.315  6.0699  124.364  9.2928  120.790  8.0162  50.179  1.8763 49.458  1.6421 0.7216377      2.493357  
1 1 1 -5  7   15 o 20.847  7.5589 17.999   20.049  0.0000   0.0000  17.999   20.049  ?       ?      20.847  7.5589 0.000000       7.558922  
1 1 1 -5  7   16 o 135.244 13.505 953.545  177.872 0.0000   0.0000  953.545  177.872 ?       ?      135.244 13.505 0.000000       13.50524  
1 1 1 -5  7   17 o 54.501  1.3609 146.673  7.3209  138.129  12.044  151.679  9.2197  52.862  2.3083 55.415  1.6856 -2.552761      2.858239  
1 1 1 -5  7   18 o 30.926  2.5045 47.620   7.5793  49.124   10.630  46.065   10.810  31.286  3.5023 30.253  3.6972 1.032694       5.092619  
1 1 1 -5  7   19 o 34.473  3.0743 59.379   10.351  70.833   36.039  58.350   10.806  36.414  9.8076 34.146  3.2453 2.267803       10.33062  
1 1 1 -5  7   20 o 24.971  1.2273 30.803   3.0249  31.494   3.1753  24.016   9.9474  25.216  1.2799 21.491  4.8095 3.725534       4.976927  
1 1 1 -5  7   21 o 11.872  4.4724 5.1950   7.1357  9.4454   10.390  1.3999   9.8174  14.999  5.4410 11.911  4.9835 3.087484       7.378278  
1 1 1 -5  7   22 o 80.876  1.7131 323.583  13.675  318.067  19.435  328.992  19.245  80.082  2.4588 81.457  2.3937 -1.374168      3.431525  
1 1 1 -5  8   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  8   2  f 393.824 5.2098 7669.14  202.514 7687.49  286.456 7650.81  286.339 393.915 7.3675 392.971 7.3822 0.9440918      10.42964  
1 1 1 -5  8   3  o 204.421 3.4441 2064.08  69.492  2055.58  98.277  2072.58  98.276  203.911 4.8829 204.754 4.8628 -0.8430634     6.891252  
1 1 1 -5  8   4  o 193.044 2.6820 1840.04  51.104  1861.89  68.942  1813.39  76.136  194.149 3.5976 191.582 4.0263 2.566788       5.399426  
1 1 1 -5  8   5  o 369.197 5.1793 6741.03  188.739 6744.28  266.885 6737.79  266.951 368.900 7.3296 368.722 7.3350 0.1787720      10.36944  
1 1 1 -5  8   6  o 158.858 2.2281 1245.95  34.937  1239.24  49.345  1252.70  49.471  158.396 3.1562 159.255 3.1472 -0.8586884     4.457179  
1 1 1 -5  8   7  o 197.220 2.4946 1920.70  48.561  1890.83  69.731  1948.83  67.667  195.617 3.6115 198.606 3.4518 -2.988266      4.995796  
1 1 1 -5  8   8  f 301.424 3.9084 4491.58  116.282 4464.93  164.464 4518.22  164.432 300.269 5.5491 302.062 5.5151 -1.793091      7.823666  
1 1 1 -5  8   9  o 196.503 2.4897 1907.21  48.289  1918.30  68.276  1896.11  68.308  196.993 3.5114 195.848 3.5336 1.144897       4.981597  
1 1 1 -5  8   10 o 242.627 7.5924 2931.96  181.824 3022.82  258.338 2842.77  255.954 245.270 10.671 237.759 10.907 7.511292       15.25872  
1 1 1 -5  8   11 o 74.425  1.2749 273.449  9.3652  259.579  12.922  288.796  13.592  72.502  1.8057 76.474  1.8007 -3.971573      2.550106  
1 1 1 -5  8   12 o 130.533 2.3243 841.844  29.946  818.024  54.842  851.963  35.745  128.495 4.3241 131.285 2.7585 -2.790009      5.129020  
1 1 1 -5  8   13 o 166.571 6.7155 1383.08  110.411 1367.51  155.903 1398.75  156.387 164.500 9.6440 166.407 9.5615 -1.906967      13.58048  
1 1 1 -5  8   14 o 29.335  7.0098 44.665   20.020  42.931   27.721  46.555   28.943  29.136  8.8553 30.228  9.0174 -1.091990      12.63840  
1 1 1 -5  8   15 o 192.489 2.9225 1832.50  55.525  1841.26  65.728  1810.65  103.759 192.867 3.4527 190.819 5.5090 2.048492       6.501541  
1 1 1 -5  8   16 o 36.041  1.0783 64.126   3.8358  75.445   9.1538  61.715   4.2245  38.995  2.3898 35.355  1.2106 3.639839       2.678879  
1 1 1 -5  8   17 o 100.533 1.6055 499.200  15.932  513.632  23.312  486.552  21.823  101.932 2.3171 99.215  2.2285 2.717125       3.214805  
1 1 1 -5  8   18 o 83.100  1.5428 341.116  12.654  344.414  17.994  337.889  17.799  83.462  2.1842 82.668  2.1814 0.7940750      3.086945  
1 1 1 -5  8   19 o 36.861  1.4669 67.130   5.3370  66.534   6.0516  69.215   11.322  36.692  1.6710 37.231  3.1093 -0.5398369     3.529831  
1 1 1 -5  8   20 o 33.860  10.186 61.437   36.819  61.437   36.819  0.0000   0.0000  33.860  10.186 ?       ?      0.000000       10.18646  
1 1 1 -5  8   21 o 29.378  2.7013 43.181   7.7452  36.640   10.908  49.833   10.999  26.745  4.2760 31.423  3.6121 -4.677202      5.597484  
1 1 1 -5  8   22 o 66.185  1.5503 216.626  10.128  220.323  13.125  211.183  15.924  66.704  1.9935 65.247  2.4726 1.457085       3.176140  
1 1 1 -5  9   1  o 316.835 4.2848 4961.46  133.997 5037.60  180.715 4868.49  199.707 319.070 5.7382 313.560 6.4527 5.510590       8.635031  
1 1 1 -5  9   2  o 61.867  1.1803 188.919  7.2075  192.679  9.9896  184.836  10.409  62.477  1.6199 61.191  1.7234 1.285713       2.365239  
1 1 1 -5  9   3  o 167.440 2.4674 1384.32  40.778  1384.35  61.259  1384.30  54.643  167.389 3.7077 167.405 3.3070 -0.1596069E-01 4.968275  
1 1 1 -5  9   4  o 129.162 2.0967 823.633  26.731  822.419  37.819  824.845  37.787  129.042 2.9693 129.233 2.9623 -0.1904297     4.194281  
1 1 1 -5  9   5  o 323.377 3.8207 5167.65  121.951 5185.39  172.470 5149.90  172.460 323.721 5.3977 322.608 5.4160 1.112366       7.646476  
1 1 1 -5  9   6  o 257.849 3.1302 3284.37  79.666  3249.67  112.655 3319.08  112.674 256.357 4.4522 259.085 4.4060 -2.728485      6.263787  
1 1 1 -5  9   7  o 252.740 3.3394 3156.42  83.307  3132.04  117.760 3180.85  117.867 251.602 4.7419 253.559 4.7096 -1.957214      6.683231  
1 1 1 -5  9   8  f 184.671 2.8234 1684.82  51.465  1671.38  72.855  1698.21  72.709  183.835 4.0151 185.309 3.9752 -1.473648      5.650077  
1 1 1 -5  9   9  o 115.330 1.8177 656.760  20.692  670.230  30.805  645.687  27.930  116.472 2.6796 114.329 2.4751 2.143150       3.647776  
1 1 1 -5  9   10 o 155.940 2.1991 1201.13  33.848  1163.90  47.756  1238.72  47.982  153.434 3.1534 158.296 3.0710 -4.861740      4.401653  
1 1 1 -5  9   11 f 134.618 2.6171 895.601  34.774  895.601  34.774  0.0000   0.0000  134.618 2.6171 ?       ?      0.000000       2.617079  
1 1 1 -5  9   12 o 45.223  6.6236 104.007  28.689  120.357  41.116  88.494   40.051  48.216  8.9695 41.091  9.9752 7.125011       13.41479  
1 1 1 -5  9   13 o 136.462 6.5222 928.247  87.850  903.004  123.354 954.227  125.143 133.567 9.4169 137.367 9.2843 -3.800232      13.22408  
1 1 1 -5  9   14 o 93.416  1.5466 430.925  14.261  423.736  19.716  438.813  20.652  92.607  2.1570 94.237  2.2202 -1.629814      3.095484  
1 1 1 -5  9   15 o 157.604 2.1273 1227.32  33.092  1240.61  46.782  1214.01  46.816  158.363 2.9929 156.651 3.0278 1.711838       4.257368  
1 1 1 -5  9   16 f 60.468  1.7314 180.607  10.333  189.720  14.978  172.330  14.275  61.948  2.4496 59.041  2.4496 2.907307       3.464229  
1 1 1 -5  9   17 f 94.782  1.5952 443.732  14.924  449.700  21.286  437.962  20.930  95.376  2.2611 94.124  2.2529 1.252350       3.191856  
1 1 1 -5  9   18 o 152.613 2.2287 1151.78  33.571  1119.50  50.851  1176.72  44.697  150.250 3.4288 154.141 2.9378 -3.890884      4.515268  
1 1 1 -5  9   19 o 56.600  1.3427 158.255  7.5014  161.647  10.849  155.146  10.384  57.175  1.9223 56.016  1.8780 1.158947       2.687469  
1 1 1 -5  9   20 o 79.020  1.5785 308.685  12.311  315.219  18.353  303.340  16.601  79.772  2.3309 78.276  2.1486 1.495796       3.170131  
1 1 1 -5  9   21 o 16.521  6.2970 10.002   14.249  10.002   14.249  0.0000   0.0000  16.521  6.2970 ?       ?      0.000000       6.296978  
1 1 1 -5  9   22 f 86.505  7.6268 390.818  64.454  398.595  79.293  375.673  110.656 86.110  9.4867 79.356  14.668 6.753754       17.46819  
1 1 1 -5  10  1  o 204.852 2.7855 2072.64  56.323  2151.49  79.836  1994.50  79.470  208.637 3.8768 200.870 4.0082 7.766403       5.576325  
1 1 1 -5  10  2  o 141.848 2.2421 993.492  31.391  976.992  44.391  1010.00  44.397  140.629 3.1981 142.987 3.1457 -2.357925      4.485888  
1 1 1 -5  10  3  o 98.762  1.4783 481.475  14.411  470.455  20.652  491.934  20.119  97.613  2.1435 99.818  2.0420 -2.205513      2.960452  
1 1 1 -5  10  4  o 349.609 4.1245 6042.80  142.326 5978.87  201.286 6106.72  201.274 347.439 5.8695 351.148 5.8072 -3.708374      8.256763  
1 1 1 -5  10  5  o 128.378 1.9092 813.685  24.191  787.887  34.072  839.913  34.354  126.299 2.7331 130.405 2.6690 -4.105751      3.820151  
1 1 1 -5  10  6  o 279.179 3.6446 3852.77  100.430 3819.62  141.876 3886.06  142.184 277.747 5.1752 280.158 5.1418 -2.411072      7.295238  
1 1 1 -5  10  7  o 51.063  1.4163 128.719  7.1384  125.421  10.008  132.135  10.185  50.398  2.0118 51.730  1.9948 -1.331547      2.833104  
1 1 1 -5  10  8  o 242.925 2.9654 2916.36  71.104  2907.01  100.540 2925.71  100.573 242.370 4.2027 243.150 4.1906 -0.7800293     5.934944  
1 1 1 -5  10  9  o 172.963 2.2297 1477.73  38.066  1495.93  53.801  1459.48  53.865  173.950 3.1335 171.814 3.1762 2.136139       4.461758  
1 1 1 -5  10  10 o 74.452  9.1537 282.111  65.851  277.955  94.708  286.001  91.623  72.611  13.717 73.887  13.040 -1.276436      18.92620  
1 1 1 -5  10  11 o 194.717 10.046 1917.93  192.426 2030.68  272.438 1805.69  271.826 198.123 14.022 186.213 14.914 11.90987       20.47094  
1 1 1 -5  10  12 o 142.777 2.7432 1007.85  38.659  1014.25  40.484  941.604  130.246 143.218 2.8638 136.266 9.7481 6.951553       10.16008  
1 1 1 -5  10  13 o 89.133  1.5485 392.326  13.624  410.001  19.563  375.681  18.984  91.092  2.1758 87.195  2.2058 3.897224       3.098313  
1 1 1 -5  10  14 o 116.438 2.1096 669.890  24.246  665.718  29.471  678.627  42.652  116.041 2.5730 117.053 3.6917 -1.011307      4.499857  
1 1 1 -5  10  15 o 45.921  1.0500 104.104  4.7593  92.553   7.6721  111.329  6.0678  43.286  1.7957 47.484  1.2946 -4.198368      2.213744  
1 1 1 -5  10  16 o 79.227  1.4879 309.988  11.635  306.538  16.827  313.148  16.106  78.754  2.1647 79.605  2.0499 -0.8505554     2.981281  
1 1 1 -5  10  17 o 101.971 1.6788 513.681  16.897  524.533  24.349  503.601  23.467  102.989 2.3953 100.916 2.3560 2.072517       3.359781  
1 1 1 -5  10  18 f 67.762  1.5587 226.854  10.425  230.211  15.643  224.172  13.982  68.217  2.3232 67.331  2.1039 0.8862686      3.134315  
1 1 1 -5  10  19 o 93.678  1.7296 433.826  15.993  436.825  22.581  430.808  22.653  93.923  2.4358 93.271  2.4607 0.6523285      3.462399  
1 1 1 -5  10  20 o 58.660  14.257 201.182  81.743  0.0000   0.0000  201.182  81.743  ?       ?      58.660  14.257 0.000000       14.25732  
1 1 1 -5  10  21 o 124.938 4.1200 781.302  50.807  0.0000   0.0000  781.302  50.807  ?       ?      124.938 4.1200 0.000000       4.120004  
1 1 1 -5  10  22 o 57.664  2.6867 165.212  15.292  163.812  18.351  168.391  27.659  57.238  3.2617 57.570  4.9146 -0.3314667     5.898519  
1 1 1 -5  11  1  o 223.996 5.2746 2485.37  116.618 2486.43  135.124 2482.27  230.868 223.901 6.1142 222.638 10.506 1.263214       12.15551  
1 1 1 -5  11  2  o 159.466 2.1644 1255.75  34.068  1261.66  46.172  1248.69  50.475  159.800 2.9273 158.958 3.2171 0.8420868      4.349531  
1 1 1 -5  11  3  o 243.844 2.9731 2937.87  71.558  2976.89  101.294 2898.99  101.102 245.319 4.1833 242.082 4.2312 3.237305       5.950052  
1 1 1 -5  11  4  o 134.241 1.8395 889.760  24.374  852.344  34.426  927.367  34.513  131.356 2.6552 137.020 2.5519 -5.663986      3.682729  
1 1 1 -5  11  5  o 90.453  1.4674 403.906  13.101  398.017  18.563  409.751  18.493  89.777  2.0949 91.092  2.0568 -1.314842      2.935806  
1 1 1 -5  11  6  o 56.044  1.1284 155.041  6.2423  160.257  8.8274  149.825  8.8284  56.974  1.5697 55.087  1.6237 1.886330       2.258394  
1 1 1 -5  11  7  o 177.076 2.2208 1548.75  38.815  1528.90  54.862  1568.66  54.924  175.863 3.1606 178.139 3.1237 -2.275406      4.443739  
1 1 1 -5  11  8  o 81.723  6.2858 333.930  50.314  330.092  71.806  337.631  70.521  80.660  9.1829 81.654  8.8938 -0.9949036     12.78382  
1 1 1 -5  11  9  o 264.585 11.275 3545.11  294.465 3457.91  416.537 3632.22  416.335 257.169 16.497 263.981 16.055 -6.812347      23.01957  
1 1 1 -5  11  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  11  11 o 119.111 1.7491 700.698  20.563  698.782  27.896  702.977  30.430  118.911 2.3768 119.252 2.5853 -0.3413544     3.511814  
1 1 1 -5  11  12 o 183.904 3.1786 1673.44  57.698  1732.43  95.192  1639.19  72.542  186.722 5.1650 181.867 4.0411 4.854126       6.558073  
1 1 1 -5  11  13 o 171.348 2.4500 1451.33  41.436  1412.17  58.664  1490.33  58.535  168.875 3.5194 173.503 3.4180 -4.627335      4.906039  
1 1 1 -5  11  14 o 114.774 1.9145 650.796  21.689  649.176  30.679  652.415  30.665  114.572 2.7129 114.858 2.7049 -0.2861557     3.830981  
1 1 1 -5  11  15 f 55.139  1.2216 150.111  6.6482  148.714  8.1454  152.898  11.506  54.875  1.5039 55.624  2.0958 -0.7486343     2.579490  
1 1 1 -5  11  16 o 81.838  1.6069 330.816  12.980  323.523  18.102  338.535  18.623  80.896  2.2671 82.750  2.2800 -1.854782      3.215302  
1 1 1 -5  11  17 o 55.143  1.8206 150.261  9.9093  164.074  14.343  137.648  13.706  57.588  2.5234 52.741  2.6329 4.846714       3.646872  
1 1 1 -5  11  18 o 72.208  1.9298 257.787  13.754  262.155  16.956  249.384  23.517  72.785  2.3602 70.892  3.3608 1.892784       4.106779  
1 1 1 -5  11  19 o 80.923  6.5396 333.678  51.788  303.721  72.889  364.219  73.596  75.615  10.012 83.393  9.0882 -7.778412      13.52196  
1 1 1 -5  11  20 o 70.537  1.8014 246.170  12.542  265.384  20.589  234.833  15.815  73.099  2.8536 68.835  2.3277 4.263435       3.682556  
1 1 1 -5  11  21 o 15.749  5.6514 10.815   11.171  8.3896   13.715  15.595   19.255  15.800  6.1370 19.612  7.3550 -3.812434      9.579086  
1 1 1 -5  11  22 o 20.981  8.4100 13.554   26.495  0.0000   0.0000  13.554   26.495  ?       ?      20.981  8.4100 0.000000       8.409982  
1 1 1 -5  12  1  o 111.872 1.6370 617.947  18.076  619.461  27.069  616.729  24.285  111.977 2.4491 111.741 2.2019 0.2360611      3.293371  
1 1 1 -5  12  2  o 48.939  1.9161 118.272  9.2557  119.806  9.4509  82.302   45.769  49.255  1.9440 39.849  11.181 9.405468       11.34886  
1 1 1 -5  12  3  o 245.034 3.3917 2968.98  82.031  2862.80  122.567 3055.12  110.402 240.302 5.1675 248.378 4.5033 -8.076035      6.854405  
1 1 1 -5  12  4  o 118.333 1.7506 691.430  20.447  692.532  28.842  690.317  28.992  118.397 2.4680 118.206 2.4849 0.1903687      3.502242  
1 1 1 -5  12  5  o 137.144 1.8434 928.799  24.954  929.815  35.268  927.781  35.312  137.177 2.6047 137.027 2.6108 0.1504822      3.687979  
1 1 1 -5  12  6  o 43.592  1.2847 93.812   5.5276  93.134   7.8140  94.490   7.8203  43.428  1.8229 43.743  1.8113 -0.3151093     2.569791  
1 1 1 -5  12  7  o 56.057  6.5318 158.484  35.463  164.134  49.976  152.755  50.329  56.475  9.2884 54.334  9.7425 2.141361       13.46076  
1 1 1 -5  12  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  12  9  o 84.769  1.5322 354.827  12.820  363.935  18.130  345.719  18.131  85.827  2.1401 83.649  2.1959 2.177948       3.066283  
1 1 1 -5  12  10 o 121.354 1.8643 727.436  22.331  723.961  31.643  730.883  31.518  121.010 2.6493 121.589 2.6262 -0.5790176     3.730377  
1 1 1 -5  12  11 o 122.644 1.7390 742.927  21.051  756.658  29.677  729.021  29.866  123.725 2.4301 121.440 2.4916 2.285461       3.480452  
1 1 1 -5  12  12 o 141.881 2.0814 994.655  29.148  968.179  40.897  1021.99  41.554  139.894 2.9618 143.732 2.9290 -3.838776      4.165518  
1 1 1 -5  12  13 o 41.655  2.2629 86.013   9.2691  162.101  43.301  82.359   9.4890  56.253  8.0262 40.749  2.3695 15.50414       8.368632  
1 1 1 -5  12  14 o 14.060  0.9056 9.7991   1.2501  10.414   1.7661  9.1819   1.7696  14.469  1.2489 13.570  1.3386 0.8984995      1.830717  
1 1 1 -5  12  15 o 140.086 2.0703 969.862  28.626  974.861  42.284  965.633  38.894  140.329 3.0528 139.695 2.8208 0.6342468      4.156472  
1 1 1 -5  12  16 o 193.536 2.5581 1853.01  48.866  1960.36  69.301  1746.84  68.916  198.847 3.5309 187.658 3.7206 11.18889       5.129392  
1 1 1 -5  12  17 o 102.890 6.5221 534.071  65.894  525.568  93.586  542.430  92.794  100.846 9.5144 102.580 9.2648 -1.734299      13.28011  
1 1 1 -5  12  18 o 75.092  6.7085 287.103  49.199  297.584  69.494  276.571  69.661  75.311  9.5646 72.359  10.023 2.951401       13.85406  
1 1 1 -5  12  19 o 59.827  2.3845 177.328  14.081  198.315  18.550  148.790  21.630  63.200  2.9736 54.458  4.0531 8.742569       5.026936  
1 1 1 -5  12  20 o 43.264  3.3548 93.801   14.214  92.421   18.650  95.714   21.954  42.686  4.4940 43.240  5.2518 -0.5542412     6.912104  
1 1 1 -5  12  21 o 25.622  0.9554 32.426   2.4161  26.458   3.0123  43.190   4.0455  23.097  1.3269 29.556  1.3867 -6.459030      1.919289  
1 1 1 -5  12  22 o 20.302  1.7976 20.571   3.5650  20.247   3.6912  25.075   13.753  20.130  1.8796 21.786  6.1347 -1.656595      6.416197  
1 1 1 -5  13  1  o 202.452 2.8564 2026.38  57.079  2006.53  85.482  2042.35  76.677  201.231 4.3037 203.106 3.8248 -1.874527      5.757715  
1 1 1 -5  13  2  o 171.532 2.4342 1453.94  41.214  1447.91  61.334  1458.90  55.650  171.042 3.6330 171.735 3.2830 -0.6929016     4.896577  
1 1 1 -5  13  3  o 124.274 2.6941 763.381  33.047  763.381  33.047  0.0000   0.0000  124.274 2.6941 ?       ?      0.000000       2.694137  
1 1 1 -5  13  4  o 182.565 3.4704 1649.18  62.535  1600.07  88.127  1698.99  88.753  179.581 4.9718 185.071 4.8586 -5.490036      6.951614  
1 1 1 -5  13  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  13  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  13  7  o 214.681 2.7948 2278.81  59.222  2268.57  83.691  2289.08  83.813  213.995 3.9622 214.963 3.9502 -0.9675903     5.594918  
1 1 1 -5  13  8  o 105.953 1.5907 554.380  16.636  574.447  23.516  534.278  23.536  107.821 2.2097 103.978 2.2933 3.843094       3.184631  
1 1 1 -5  13  9  o 76.357  1.3446 287.878  10.134  292.083  14.335  283.678  14.328  76.895  1.8887 75.779  1.9155 1.115494       2.690073  
1 1 1 -5  13  10 o 128.618 1.8360 817.168  23.308  799.654  32.820  834.987  33.106  127.171 2.6147 129.954 2.5809 -2.782303      3.673954  
1 1 1 -5  13  11 o 85.664  1.7749 362.487  15.008  365.212  25.801  361.093  18.450  85.910  3.0427 85.479  2.1868 0.4307632      3.747022  
1 1 1 -5  13  12 o 109.217 1.7913 589.259  19.311  584.568  26.877  594.263  27.763  108.731 2.5043 109.624 2.5659 -0.8927765     3.585442  
1 1 1 -5  13  13 o 57.066  1.5677 160.842  8.8305  173.171  12.325  147.838  12.658  59.194  2.1095 54.684  2.3452 4.509911       3.154303  
1 1 1 -5  13  14 o 81.172  6.6832 332.184  53.070  328.726  75.029  335.646  75.076  79.824  9.7237 80.709  9.6133 -0.8851471     13.67356  
1 1 1 -5  13  15 o 25.575  1.3938 32.398   3.5051  32.867   3.6735  27.633   11.711  25.756  1.4509 23.094  5.2558 2.661758       5.452408  
1 1 1 -5  13  16 o 164.096 6.9068 1355.06  111.868 1360.64  158.877 1349.57  157.542 162.488 9.9542 161.854 9.9091 0.6335907      14.04553  
1 1 1 -5  13  17 o 155.290 3.8309 1198.67  58.720  1213.85  148.529 1195.86  63.927  152.940 9.8921 155.003 4.1784 -2.063675      10.73840  
1 1 1 -5  13  18 o 155.399 2.3249 1195.72  35.661  1206.51  49.405  1183.99  51.527  155.867 3.2113 154.353 3.3821 1.513992       4.663820  
1 1 1 -5  13  19 f 39.304  1.6487 76.399   6.3962  74.898   7.0426  83.470   15.283  38.907  1.8339 40.719  3.8483 -1.812828      4.262911  
1 1 1 -5  13  20 o 45.303  2.8865 102.481  12.840  107.525  19.167  98.374   17.294  46.101  4.2605 44.142  4.0130 1.959057       5.852864  
1 1 1 -5  13  21 o 36.766  3.1698 67.888   11.391  66.552   16.963  68.985   15.372  35.971  4.9057 36.798  4.3141 -0.8270950     6.532846  
1 1 1 -5  13  22 o 43.122  1.3008 91.952   5.5367  95.237   7.9093  88.795   7.7532  43.843  1.8277 42.332  1.8556 1.511307       2.604557  
1 1 1 -5  14  1  o 133.174 1.8630 876.043  24.488  882.104  36.585  871.124  32.960  133.562 2.7752 132.751 2.5155 0.8107452      3.745554  
1 1 1 -5  14  2  o 74.135  6.4698 276.130  46.867  267.125  65.839  285.380  66.730  72.180  9.4698 74.706  9.2472 -2.525925      13.23583  
1 1 1 -5  14  3  o 148.674 6.5760 1102.89  96.501  1061.82  136.430 1144.01  136.516 144.692 9.6074 150.359 9.2434 -5.666016      13.33203  
1 1 1 -5  14  4  o 71.028  6.4764 253.680  44.905  240.094  63.157  267.569  63.860  68.317  9.6336 72.321  9.1509 -4.004303      13.28702  
1 1 1 -5  14  5  o 145.557 2.1246 1046.84  30.524  1035.57  43.236  1058.04  43.098  144.683 3.0276 146.249 2.9856 -1.565796      4.252046  
1 1 1 -5  14  6  o 136.130 2.0143 915.555  27.066  936.711  38.153  894.124  38.402  137.624 2.8087 134.450 2.8937 3.173538       4.032674  
1 1 1 -5  14  7  o 47.944  1.3508 113.500  6.3924  106.232  10.549  117.718  8.0359  46.362  2.3052 48.821  1.6676 -2.458920      2.845156  
1 1 1 -5  14  8  o 28.678  1.3741 40.610   3.8897  41.182   4.2239  37.421   9.9772  28.839  1.4889 27.218  3.8190 1.621702       4.098952  
1 1 1 -5  14  9  o 99.952  1.5541 493.390  15.332  485.730  21.479  501.348  21.892  99.138  2.1950 100.718 2.2021 -1.580788      3.109250  
1 1 1 -5  14  10 o 95.230  1.5947 447.908  14.989  450.583  21.318  445.293  21.079  95.477  2.2622 94.915  2.2500 0.5614090      3.190617  
1 1 1 -5  14  11 o 105.795 1.6549 552.857  17.281  552.953  24.197  552.756  24.688  105.760 2.3179 105.738 2.3655 0.2257538E-01  3.311859  
1 1 1 -5  14  12 o 45.205  1.2506 100.900  5.5799  95.180   7.7299  107.124  8.0631  43.893  1.7842 46.566  1.7543 -2.673607      2.502178  
1 1 1 -5  14  13 o 115.154 1.8097 655.170  20.569  643.927  30.116  665.001  28.160  114.084 2.6745 115.958 2.4603 -1.874023      3.633986  
1 1 1 -5  14  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  14  15 o 137.830 6.6841 954.764  90.933  971.429  129.868 938.736  127.364 137.401 9.6369 135.071 9.6160 2.329712       13.61389  
1 1 1 -5  14  16 o 81.747  2.0420 330.447  16.477  338.816  22.967  321.574  23.651  82.703  2.8135 80.554  2.9745 2.149361       4.094379  
1 1 1 -5  14  17 o 76.793  1.8980 291.630  14.386  304.842  21.749  281.353  19.182  78.418  2.8099 75.363  2.5787 3.055344       3.813821  
1 1 1 -5  14  18 o 65.418  1.2707 211.438  8.2045  221.565  11.607  201.324  11.599  66.931  1.7569 63.794  1.8421 3.137199       2.545590  
1 1 1 -5  14  19 o 35.239  1.8971 61.653   6.5741  89.159   17.566  57.173   7.0893  41.956  4.3026 33.903  2.1293 8.053329       4.800709  
1 1 1 -5  14  20 o 78.898  2.0562 308.555  16.013  311.182  23.280  306.197  22.060  79.044  2.9839 78.439  2.8493 0.6040955      4.125845  
1 1 1 -5  14  21 o 49.619  1.3455 121.756  6.5896  111.772  9.4266  131.296  9.2152  47.481  2.0114 51.484  1.8134 -4.002079      2.708182  
1 1 1 -5  14  22 o 56.197  2.9687 158.067  16.408  164.048  21.072  148.854  26.153  57.014  3.7657 53.852  4.9765 3.161423       6.240658  
1 1 1 -5  15  1  o 108.372 6.4209 588.363  68.377  582.098  96.743  594.617  96.656  106.943 9.2563 108.134 9.1416 -1.191597      13.00951  
1 1 1 -5  15  2  o 107.181 6.5445 575.886  68.904  550.568  97.163  601.501  97.728  103.869 9.5853 108.743 9.1912 -4.873825      13.27994  
1 1 1 -5  15  3  o 111.472 1.7270 613.771  19.002  644.016  27.286  585.292  26.477  114.139 2.4220 108.807 2.4654 5.331459       3.456042  
1 1 1 -5  15  4  o 97.801  1.7789 472.484  17.173  452.415  31.256  481.161  20.552  95.594  3.3127 98.677  2.1102 -3.082954      3.927654  
1 1 1 -5  15  5  o 42.932  1.7249 91.043   7.3095  89.664   10.117  92.549   10.572  42.519  2.4208 43.194  2.4903 -0.6747818     3.472984  
1 1 1 -5  15  6  o 46.100  1.2349 104.929  5.6189  98.071   7.8169  112.261  8.0823  44.557  1.7774 47.673  1.7176 -3.116245      2.471731  
1 1 1 -5  15  7  f 95.477  1.6333 450.252  15.392  456.097  21.383  443.967  22.175  96.059  2.2552 94.766  2.3707 1.293724       3.272071  
1 1 1 -5  15  8  o 39.801  1.1819 78.212   4.6432  77.642   6.6139  78.766   6.5200  39.646  1.6902 39.933  1.6542 -0.2868805     2.364946  
1 1 1 -5  15  9  o 170.409 2.2439 1435.49  37.742  1426.50  53.262  1444.55  53.489  169.736 3.1791 170.807 3.1727 -1.071259      4.491409  
1 1 1 -5  15  10 o 90.236  1.6214 402.200  14.441  383.315  20.596  420.464  20.255  88.048  2.3699 92.226  2.2251 -4.178200      3.250767  
1 1 1 -5  15  11 o 87.313  1.5485 376.552  13.345  364.216  18.475  390.011  19.298  85.836  2.1806 88.822  2.2012 -2.986145      3.098446  
1 1 1 -5  15  12 o 38.882  1.1765 74.650   4.5153  75.996   6.3093  73.238   6.4646  39.222  1.6297 38.502  1.7011 0.7200394      2.355778  
1 1 1 -5  15  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  15  14 o 50.034  7.2792 128.752  34.894  140.068  49.355  117.443  49.341  51.381  10.092 46.751  10.894 4.630047       14.85041  
1 1 1 -5  15  15 o 78.181  1.7686 302.098  13.648  308.371  20.803  297.358  18.083  78.914  2.6708 77.521  2.3633 1.393684       3.566291  
1 1 1 -5  15  16 o 145.548 2.2003 1048.25  31.610  1027.74  44.267  1069.59  45.152  143.925 3.1161 146.826 3.1156 -2.900665      4.406495  
1 1 1 -5  15  17 o 4.9408  2.2475 -1.5130  2.4010  5.1573   14.985  -1.6887  2.4325  15.437  6.2759 4.9037  2.2427 10.53283       6.664587  
1 1 1 -5  15  18 o 120.140 2.0804 714.851  24.670  694.835  34.278  736.357  35.532  118.239 2.9372 121.714 2.9576 -3.475639      4.168252  
1 1 1 -5  15  19 o 86.780  1.7802 372.839  15.248  395.071  21.376  349.809  21.756  89.209  2.4277 83.901  2.6272 5.307831       3.577095  
1 1 1 -5  15  20 o 44.298  1.2085 97.005   5.2839  91.271   8.8284  100.205  6.5957  42.898  2.0850 45.004  1.4848 -2.105434      2.559695  
1 1 1 -5  15  21 o 66.493  6.9506 233.384  44.943  224.019  63.829  242.592  63.291  62.489  10.735 65.577  10.103 -3.087357      14.74152  
1 1 1 -5  16  1  o 115.377 1.7510 657.604  19.941  652.135  27.199  663.960  29.323  114.848 2.3993 115.869 2.5640 -1.021599      3.511506  
1 1 1 -5  16  2  o 78.119  1.4110 301.362  10.880  291.135  15.282  311.871  15.492  76.757  2.0172 79.445  1.9756 -2.688667      2.823457  
1 1 1 -5  16  3  o 189.305 2.4411 1771.96  45.613  1794.96  64.611  1749.12  64.402  190.352 3.4389 187.898 3.4725 2.453308       4.887156  
1 1 1 -5  16  4  o 72.420  1.4769 259.016  10.557  272.251  14.983  245.966  14.878  74.223  2.0452 70.545  2.1368 3.678246       2.957774  
1 1 1 -5  16  5  o 118.205 2.5182 690.999  29.380  843.443  107.160 678.608  30.551  128.967 8.4653 117.128 2.6426 11.83854       8.868159  
1 1 1 -5  16  6  o 58.572  1.4828 169.433  8.5723  166.302  11.950  172.753  12.304  58.007  2.0871 59.121  2.1085 -1.113445      2.966781  
1 1 1 -5  16  7  o 110.224 1.8607 600.299  20.243  612.039  28.648  588.592  28.609  111.233 2.6093 109.077 2.6572 2.156181       3.724188  
1 1 1 -5  16  8  o 82.848  1.4776 338.998  12.083  326.837  17.087  351.163  17.090  81.315  2.1289 84.291  2.0541 -2.976379      2.958285  
1 1 1 -5  16  9  o 120.684 1.7496 719.587  20.842  724.128  29.333  714.957  29.618  121.000 2.4561 120.227 2.4959 0.7729568      3.501673  
1 1 1 -5  16  10 o 32.741  1.3880 52.943   4.4857  43.878   10.866  54.805   4.9250  29.495  3.8222 33.310  1.4979 -3.815273      4.105204  
1 1 1 -5  16  11 o 100.844 6.3648 511.751  63.028  529.058  89.911  495.028  88.379  101.555 9.0649 98.141  9.2320 3.414001       12.93845  
1 1 1 -5  16  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  16  13 o 58.024  2.0742 166.474  11.879  161.383  16.364  172.146  17.272  57.002  2.9183 58.869  2.9823 -1.866810      4.172615  
1 1 1 -5  16  14 o 49.177  1.2003 119.437  5.8263  119.691  8.2400  119.182  8.2393  49.212  1.6964 49.107  1.6998 0.1049767      2.401486  
1 1 1 -5  16  15 o 73.004  2.2737 263.782  16.384  275.789  25.886  255.758  21.162  74.497  3.5203 71.810  2.9857 2.687202       4.615971  
1 1 1 -5  16  16 o 46.362  2.0002 106.359  9.1532  144.147  49.392  105.015  9.3145  51.606  10.058 46.065  2.0486 5.540672       10.26468  
1 1 1 -5  16  17 o 89.294  2.0235 394.785  17.835  389.389  24.654  400.710  25.831  88.546  2.8209 89.805  2.9142 -1.258972      4.055811  
1 1 1 -5  16  18 o 27.981  0.9823 38.676   2.7130  40.439   3.3514  35.323   4.6209  28.606  1.1870 26.655  1.7664 1.950617       2.128165  
1 1 1 -5  16  19 o 78.865  1.7669 308.054  13.754  333.115  19.436  282.914  19.466  81.886  2.4047 75.419  2.6150 6.467384       3.552577  
1 1 1 -5  16  20 o 36.359  7.9550 72.730   27.755  74.863   40.030  70.756   38.517  35.922  10.577 35.023  10.392 0.8989639      14.82838  
1 1 1 -5  16  21 o 94.808  3.6272 451.786  33.943  570.640  90.553  432.357  36.612  101.483 9.1382 92.562  4.0074 8.920509       9.978228  
1 1 1 -5  17  1  o 147.326 2.2575 1073.16  32.828  1085.23  46.228  1060.88  46.626  148.020 3.1641 146.339 3.2280 1.680344       4.520133  
1 1 1 -5  17  2  o 47.786  1.4753 112.783  6.9585  108.880  12.423  114.567  8.3998  46.831  2.6990 48.154  1.7673 -1.322773      3.226149  
1 1 1 -5  17  3  o 73.394  1.4558 266.048  10.546  253.394  14.976  278.498  14.854  71.597  2.1191 75.066  2.0048 -3.469200      2.917173  
1 1 1 -5  17  4  o 96.558  1.6080 460.562  15.325  483.730  21.681  437.429  21.664  98.915  2.2206 94.053  2.3337 4.861801       3.221387  
1 1 1 -5  17  5  o 16.918  1.0659 14.187   1.7707  12.185   2.4632  16.327   2.5474  15.622  1.6211 18.125  1.4356 -2.503597      2.165390  
1 1 1 -5  17  6  o 57.376  1.5545 162.611  8.8037  159.285  53.064  162.705  8.9274  54.977  10.153 57.391  1.5760 -2.414249      10.27432  
1 1 1 -5  17  7  o 108.850 1.7782 585.446  19.105  587.787  27.231  583.177  26.810  109.000 2.5311 108.575 2.5017 0.4252548      3.558748  
1 1 1 -5  17  8  o 9.7576  0.9420 4.7442   0.8959  0.1917   1.2470  9.6018   1.2881  4.2934  1.7845 13.914  0.9435 -9.620543      2.018524  
1 1 1 -5  17  9  o 133.623 9.5239 917.895  124.789 977.941  177.082 858.660  175.881 135.350 13.433 126.071 14.392 9.278900       19.68675  
1 1 1 -5  17  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  17  11 o 82.085  2.7233 333.644  22.065  318.686  30.654  349.726  31.785  80.087  3.8778 83.903  3.8381 -3.815399      5.456036  
1 1 1 -5  17  12 o 222.913 2.9497 2462.58  64.901  2399.63  95.737  2516.10  88.282  219.477 4.4194 224.940 3.9762 -5.463058      5.944841  
1 1 1 -5  17  13 o 63.837  1.3553 201.309  8.5395  200.160  12.069  202.460  12.084  63.623  1.9219 63.988  1.9133 -0.3651505     2.711898  
1 1 1 -5  17  14 o 93.963  1.8609 436.614  17.259  430.522  24.133  442.992  24.693  93.211  2.6230 94.548  2.6460 -1.336952      3.725801  
1 1 1 -5  17  15 o 53.039  1.5111 139.051  7.9108  137.858  11.018  140.321  11.365  52.772  2.1152 53.238  2.1629 -0.4657745     3.025268  
1 1 1 -5  17  16 o 127.701 2.1353 807.778  26.914  804.298  38.455  811.120  37.682  127.179 3.0634 127.741 2.9886 -0.5613937     4.279743  
1 1 1 -5  17  17 o 47.462  4.4449 114.231  20.581  129.472  47.941  110.788  22.787  48.008  10.417 46.559  5.0389 1.449276       11.57129  
1 1 1 -5  17  18 f 39.865  1.2795 78.577   5.0344  78.642   7.0631  78.509   7.1776  39.845  1.7959 39.808  1.8267 0.3622818E-01  2.561695  
1 1 1 -5  17  19 o 42.370  7.8277 97.999   31.530  113.230  45.541  83.976   43.697  44.029  10.605 37.715  11.036 6.314568       15.30575  
1 1 1 -5  17  20 o 56.498  1.5625 158.073  8.7133  154.057  12.381  162.013  12.265  55.672  2.2532 57.105  2.1759 -1.433064      3.132301  
1 1 1 -5  17  21 o 54.619  2.6536 148.889  14.306  146.397  21.057  151.025  19.495  53.642  4.0060 54.631  3.6362 -0.9882965     5.410189  
1 1 1 -5  18  1  f 63.427  1.8879 198.852  11.819  210.939  14.492  174.846  20.424  65.305  2.2483 59.260  3.5073 6.044842       4.166101  
1 1 1 -5  18  2  f 82.373  1.4685 335.181  11.940  337.777  16.425  332.271  17.386  82.658  2.0132 81.972  2.1489 0.6863174      2.944568  
1 1 1 -5  18  3  o 52.011  1.4857 133.631  7.6273  132.909  9.2918  135.122  13.355  51.859  1.8153 52.251  2.5895 -0.3919868     3.162414  
1 1 1 -5  18  4  o 28.257  3.0519 40.017   8.3766  41.586   11.697  38.365   12.001  28.611  4.2731 27.396  4.6014 1.215012       6.279511  
1 1 1 -5  18  5  o 48.193  1.8559 114.791  8.8282  109.171  12.127  121.126  12.876  46.890  2.6310 49.396  2.6506 -2.506374      3.734643  
1 1 1 -5  18  6  o 99.715  1.6948 491.324  16.680  482.005  24.512  499.362  22.764  98.690  2.5163 100.475 2.2954 -1.784431      3.405984  
1 1 1 -5  18  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  18  8  o 84.550  9.6080 371.825  78.759  350.670  110.917 393.339  111.853 79.513  14.673 84.804  13.840 -5.290764      20.17073  
1 1 1 -5  18  9  o 54.872  3.9140 150.428  21.060  132.628  22.542  272.555  59.047  51.403  4.4880 72.670  8.3860 -21.26759      9.511376  
1 1 1 -5  18  10 o 70.630  1.7147 246.563  11.954  240.342  15.277  256.388  19.198  69.699  2.2207 71.945  2.7035 -2.246101      3.498650  
1 1 1 -5  18  11 o 40.738  2.5971 82.530   10.389  81.203   14.071  84.121   15.402  40.270  3.5774 40.946  3.8563 -0.6760674     5.260146  
1 1 1 -5  18  12 o 9.3013  1.8738 4.4321   1.6609  1.3267   2.3004  7.8137   2.4004  6.5058  2.5172 12.408  2.0303 -5.901828      3.233940  
1 1 1 -5  18  13 o 33.552  3.1901 56.417   10.438  56.072   14.067  56.841   15.569  33.222  4.3980 33.349  4.8737 -0.1264305     6.564680  
1 1 1 -5  18  14 o 93.816  1.8259 435.431  16.908  428.642  23.935  442.193  23.887  92.963  2.6085 94.429  2.5628 -1.466187      3.656831  
1 1 1 -5  18  15 o 64.633  1.5793 206.605  10.075  203.736  14.254  209.469  14.243  64.113  2.2524 65.012  2.2196 -0.8997498     3.162279  
1 1 1 -5  18  16 o 109.450 1.9885 593.544  21.482  590.323  29.510  597.175  31.330  108.958 2.7440 109.541 2.8977 -0.5832138     3.990754  
1 1 1 -5  18  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  18  18 o 61.621  7.0669 202.022  42.206  218.969  59.753  185.149  59.623  61.991  10.114 56.107  11.159 5.883797       15.06063  
1 1 1 -5  18  19 f 37.860  3.3503 72.433   12.391  77.191   17.666  67.825   17.384  38.664  4.7274 36.110  5.0127 2.554230       6.890222  
1 1 1 -5  18  20 o 22.049  5.4220 26.071   11.718  26.124   16.872  26.021   16.287  22.111  6.9417 22.038  6.8041 0.7329750E-01  9.720243  
1 1 1 -5  19  1  o 83.348  1.5386 343.310  12.657  352.563  18.235  334.706  17.583  84.406  2.1888 82.243  2.1660 2.163002       3.079382  
1 1 1 -5  19  2  o 99.217  1.6869 486.578  16.520  481.509  23.293  491.707  23.433  98.621  2.3929 99.662  2.3821 -1.040268      3.376435  
1 1 1 -5  19  3  o 38.515  1.4525 73.291   5.5218  74.139   6.1569  69.804   12.483  38.732  1.6105 37.338  3.4253 1.393837       3.785015  
1 1 1 -5  19  4  o 62.352  1.3493 192.051  8.3039  180.729  14.519  197.555  10.123  60.421  2.4345 63.225  1.6221 -2.804592      2.925447  
1 1 1 -5  19  5  o 41.767  7.9956 91.682   31.761  79.248   44.781  104.268  45.055  38.350  11.158 43.881  10.536 -5.530731      15.34586  
1 1 1 -5  19  6  o 25.589  8.5223 32.135   25.203  31.072   35.347  33.234   35.945  27.015  9.9976 27.570  10.102 -0.5548668     14.21285  
1 1 1 -5  19  7  o 86.478  3.3618 371.344  28.695  358.862  30.563  464.188  83.357  84.967  3.6443 94.532  9.0440 -9.564819      9.750652  
1 1 1 -5  19  8  o 81.955  6.8230 342.282  54.692  339.105  77.110  345.498  77.583  80.183  9.9575 80.966  9.9153 -0.7824402     14.05216  
1 1 1 -5  19  9  o 116.763 1.9770 674.385  22.785  644.625  32.194  704.254  32.252  114.015 2.8607 119.195 2.7414 -5.179970      3.962199  
1 1 1 -5  19  10 o 99.403  1.7511 488.577  17.181  477.578  24.289  499.591  24.307  98.180  2.5064 100.425 2.4521 -2.245636      3.506450  
1 1 1 -5  19  11 o 22.805  0.8747 25.680   1.9688  28.020   2.7595  23.253   2.8098  23.817  1.1739 21.654  1.3210 2.163176       1.767198  
1 1 1 -5  19  12 o 60.543  1.4686 181.185  8.7762  174.432  12.337  188.105  12.488  59.354  2.1058 61.641  2.0524 -2.287281      2.940539  
1 1 1 -5  19  13 o 55.972  2.1430 155.199  11.839  159.837  16.243  149.942  17.293  56.637  2.9154 54.795  3.2115 1.842319       4.337424  
1 1 1 -5  19  14 o 10.981  1.4127 6.0600   1.4956  4.7948   2.0520  7.4941   2.1846  9.6439  2.2038 12.161  1.8806 -2.517399      2.897157  
1 1 1 -5  19  15 o 83.118  2.0462 342.505  16.787  347.796  23.062  336.540  24.484  83.595  2.7950 82.173  3.0187 1.421326       4.113904  
1 1 1 -5  19  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  19  17 o 9.4434  1.4341 4.5135   1.2947  2.8328   1.6100  7.5895   2.1781  7.4539  2.0991 12.234  1.8626 -4.779710      2.806300  
1 1 1 -5  19  18 o 53.406  3.4627 143.924  18.155  137.745  25.677  150.101  25.672  51.582  5.1105 53.977  4.8711 -2.394760      7.060062  
1 1 1 -5  19  19 o 26.206  4.7526 36.131   11.840  36.083   16.913  36.176   16.581  25.643  6.6326 25.700  6.5249 -0.5662727E-01 9.304049  
1 1 1 -5  19  20 o 59.577  2.0499 176.552  12.054  169.759  14.169  194.352  22.936  58.318  2.4615 61.825  3.7766 -3.506493      4.507970  
1 1 1 -5  20  1  o 97.072  1.6817 466.095  16.113  465.652  22.405  466.569  23.189  96.924  2.3420 97.004  2.4219 -0.8071899E-01 3.369081  
1 1 1 -5  20  2  o 88.425  1.6248 386.650  14.181  401.300  19.767  371.116  20.355  90.006  2.2251 86.531  2.3832 3.474876       3.260488  
1 1 1 -5  20  3  o 26.451  8.1946 36.354   23.600  22.959   32.614  51.078   34.193  24.590  9.4882 31.124  9.8956 -6.534460      13.70944  
1 1 1 -5  20  4  o 164.589 7.0298 1383.50  114.202 1420.58  161.570 1346.49  161.443 163.689 10.049 159.028 10.341 4.661179       14.41956  
1 1 1 -5  20  5  o 69.496  2.7236 239.585  18.682  249.319  27.427  231.159  25.518  70.586  3.9525 67.991  3.8179 2.595772       5.495350  
1 1 1 -5  20  6  o 91.929  1.6384 417.855  14.866  411.963  20.339  424.614  21.783  91.202  2.2594 92.573  2.3839 -1.371178      3.284544  
1 1 1 -5  20  7  o 25.212  1.6131 31.555   3.9932  31.194   12.696  31.595   4.2066  24.427  5.4086 25.219  1.6998 -0.7919788     5.669448  
1 1 1 -5  20  8  o 72.375  1.6549 259.032  11.822  252.999  16.509  265.382  16.937  71.456  2.3408 73.183  2.3447 -1.727287      3.313143  
1 1 1 -5  20  9  o 50.989  7.2086 135.716  35.268  123.595  49.576  148.135  50.183  47.121  10.879 52.045  10.133 -4.923981      14.86749  
1 1 1 -5  20  10 o 73.807  1.6621 269.449  12.109  264.566  17.044  274.424  17.205  73.050  2.3639 74.402  2.3428 -1.351631      3.328158  
1 1 1 -5  20  11 o 21.655  1.5741 23.317   3.3417  31.359   13.171  22.763   3.4547  24.406  5.5880 21.388  1.6492 3.018005       5.826261  
1 1 1 -5  20  12 o 62.647  2.0415 194.473  12.623  189.936  17.241  199.717  18.534  61.797  2.8265 63.344  2.9643 -1.546822      4.095881  
1 1 1 -5  20  13 o 20.187  0.9318 20.131   1.8567  17.606   2.5950  22.778   2.6576  18.815  1.4075 21.428  1.2621 -2.612787      1.890486  
1 1 1 -5  20  14 f 47.727  7.6008 122.632  34.605  106.738  48.606  138.969  49.278  42.477  11.369 49.177  10.473 -6.699928      15.45744  
1 1 1 -5  20  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  20  16 o 60.855  1.4930 183.384  8.9679  160.456  12.661  206.469  12.704  56.800  2.2583 64.485  1.9959 -7.685833      3.013953  
1 1 1 -5  20  17 o 52.608  2.7133 138.590  14.041  139.540  19.145  137.486  20.655  52.457  3.7218 51.936  4.0615 0.5209999      5.508888  
1 1 1 -5  20  18 o 26.450  1.7647 34.868   4.5807  34.415   4.6709  46.270   23.424  26.270  1.8125 28.564  7.9934 -2.294159      8.196354  
1 1 1 -5  20  19 o 59.128  2.0452 173.952  11.936  177.092  27.827  173.244  13.213  58.389  4.8729 58.952  2.2708 -0.5630722     5.376009  
1 1 1 -5  21  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  21  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  21  3  o 87.092  1.9801 375.822  17.022  378.155  20.901  371.229  29.331  87.275  2.4264 86.211  3.4469 1.063354       4.215256  
1 1 1 -5  21  4  o 88.935  1.7239 391.485  15.133  393.811  22.309  389.503  20.595  89.048  2.5382 88.598  2.3551 0.4496994      3.462530  
1 1 1 -5  21  5  o 61.827  1.4324 189.023  8.7413  187.348  10.099  194.029  17.454  61.531  1.6629 62.461  2.8311 -0.9297485     3.283355  
1 1 1 -5  21  6  o 27.276  3.8349 37.931   10.039  44.268   13.776  30.756   14.661  29.231  4.9515 24.076  6.1477 5.154301       7.893800  
1 1 1 -5  21  7  o 101.346 1.8723 508.622  18.729  486.840  25.625  533.598  27.440  98.990  2.6227 103.618 2.6830 -4.628670      3.751920  
1 1 1 -5  21  8  o 142.868 2.2519 1012.46  31.756  973.975  46.635  1045.73  43.362  139.684 3.3824 144.899 3.0319 -5.215240      4.542363  
1 1 1 -5  21  9  o 110.206 1.8758 601.603  20.405  577.570  28.840  625.690  28.873  107.768 2.7113 112.199 2.6071 -4.431709      3.761423  
1 1 1 -5  21  10 o 54.083  1.8636 144.905  9.9482  144.994  10.118  142.342  54.489  54.096  1.8950 49.479  11.393 4.616108       11.54912  
1 1 1 -5  21  11 o 101.128 2.1091 507.383  21.052  495.973  25.607  531.178  36.978  99.848  2.5983 102.937 3.6395 -3.088821      4.471797  
1 1 1 -5  21  12 o 94.549  10.292 505.073  94.499  552.855  134.825 458.931  132.490 92.492  15.304 81.933  16.942 10.55891       22.83071  
1 1 1 -5  21  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -5  21  14 o 16.554  1.1952 13.624   1.9398  15.058   2.7341  12.170   2.7526  17.359  1.6142 15.558  1.8273 1.800828       2.438157  
1 1 1 -5  21  15 o 60.922  2.3807 184.901  14.316  181.078  19.188  189.701  21.500  59.962  3.2542 61.252  3.5716 -1.290527      4.831798  
1 1 1 -5  21  16 o 47.190  2.1392 110.790  9.9641  155.986  25.526  102.665  10.823  54.952  4.7530 45.311  2.4287 9.641014       5.337580  
1 1 1 -5  21  17 o 22.684  5.4702 27.826   12.106  27.793   17.006  27.860   17.236  22.556  6.9510 22.588  7.0039 -0.3205299E-01 9.867701  
1 1 1 -5  21  18 o 26.838  5.1308 38.554   13.096  39.615   18.146  37.401   18.920  26.566  6.8693 25.740  7.1770 0.8259621      9.934649  
1 1 1 -5  22  1  o 62.308  1.4561 192.159  8.9553  177.900  12.630  206.575  12.699  59.851  2.1380 64.521  1.9941 -4.669735      2.923608  
1 1 1 -5  22  2  o 54.665  1.4171 147.882  7.6464  148.066  8.6536  147.230  16.331  54.678  1.6034 54.188  3.0658 0.4898872      3.459829  
1 1 1 -5  22  3  o 42.309  1.6341 88.662   6.8239  91.802   7.6297  76.107   15.257  43.036  1.7962 38.643  4.0607 4.393024       4.440245  
1 1 1 -5  22  4  o 72.292  1.9648 259.251  14.019  272.315  29.568  255.462  15.923  73.354  4.1002 71.704  2.2498 1.649933       4.676863  
1 1 1 -5  22  5  o 61.069  1.9714 185.003  11.883  216.641  19.568  166.519  14.957  65.860  3.0102 57.824  2.6206 8.035767       3.991105  
1 1 1 -5  22  6  o 28.814  1.0257 41.031   2.9172  37.854   4.0888  44.324   4.1633  27.613  1.5059 29.929  1.4093 -2.316467      2.062517  
1 1 1 -5  22  7  o 69.476  1.5739 239.007  10.793  242.855  15.027  234.909  15.510  69.927  2.1773 68.751  2.2856 1.175690       3.156676  
1 1 1 -5  22  8  o 34.583  1.7018 59.257   5.8090  54.752   6.1732  94.091   17.165  33.173  1.8932 42.991  4.0946 -9.817429      4.511099  
1 1 1 -5  22  9  o 47.009  1.3504 109.341  6.2657  101.885  8.7959  117.022  8.9278  45.312  1.9667 48.575  1.8621 -3.263115      2.708336  
1 1 1 -5  22  10 o 74.555  2.8204 277.557  20.755  261.454  27.923  297.436  31.025  71.856  3.9523 76.571  4.1202 -4.715332      5.709291  
1 1 1 -5  22  11 o 40.316  9.7600 95.141   38.422  88.039   65.978  98.785   47.264  37.188  13.677 40.059  11.405 -2.870785      17.80877  
1 1 1 -5  22  12 o 11.891  5.2892 -3.6460  12.481  -7.2272  17.576  -0.0032  17.726  13.605  6.1454 15.027  6.5021 -1.421798      8.946647  
1 1 1 -5  22  13 o 20.157  0.8781 20.078   1.7471  15.293   2.4018  25.456   2.5459  17.518  1.4008 22.657  1.1421 -5.139076      1.807399  
1 1 1 -5  22  14 o 56.538  1.5209 158.429  8.4874  147.735  11.898  169.509  12.111  54.468  2.2130 58.370  2.1022 -3.901405      3.052305  
1 1 1 -5  22  15 o 35.787  0.9109 63.306   3.2176  60.901   4.5042  65.812   4.5980  35.071  1.3012 36.460  1.2777 -1.388874      1.823592  
1 1 1 -5  22  16 o ?       ?      -9.2429  1.4944  -15.2949 1.8156  3.4720   2.6316  ?       ?      8.4589  2.7508 0.000000       2.750840  
1 1 1 -5  22  17 o 25.453  1.2902 32.176   3.2308  31.160   4.6108  33.156   4.5284  24.957  1.8857 25.765  1.7918 -0.8074284     2.601227  
1 1 1 -5  23  1  o 116.206 1.9765 670.798  22.670  674.492  31.841  667.001  32.284  116.159 2.7771 115.482 2.8323 0.6763763      3.966696  
1 1 1 -5  23  2  o 24.056  1.5273 28.784   3.6077  30.028   13.157  28.683   3.7515  23.600  5.7102 24.006  1.5923 -0.4062519     5.928049  
1 1 1 -5  23  3  o 42.229  1.0998 88.182   4.5840  86.333   7.6386  89.222   5.7307  41.709  1.8554 42.455  1.3676 -0.7457542     2.304966  
1 1 1 -5  23  4  o 54.811  1.4421 148.764  7.8017  151.951  10.987  145.521  11.081  55.307  2.0126 54.113  2.0746 1.193825       2.890359  
1 1 1 -5  23  5  o 12.333  5.0425 3.2967   9.7433  14.137   13.891  -7.2011  13.670  17.489  6.2992 11.784  5.3613 5.704479       8.271815  
1 1 1 -5  23  6  o 16.446  1.1138 13.437   1.7974  14.170   2.2353  12.095   3.0236  16.865  1.3542 15.473  2.0286 1.392489       2.439107  
1 1 1 -5  23  7  o 67.082  2.0720 223.698  13.719  227.151  19.054  219.981  19.769  67.377  2.8651 66.254  3.0231 1.123238       4.165092  
1 1 1 -5  23  8  o 63.761  3.9205 206.678  24.554  247.873  62.158  199.060  26.728  65.104  9.9920 62.351  4.3706 2.753216       10.90605  
1 1 1 -5  23  9  o 37.436  8.4989 80.398   30.686  84.928   43.678  75.983   43.122  36.923  11.092 35.012  11.111 1.911694       15.69955  
1 1 1 -5  23  10 o 28.147  1.7967 39.487   4.9655  39.128   5.0037  62.685   40.237  28.015  1.8194 32.144  10.769 -4.129635      10.92169  
1 1 1 -5  23  11 o 50.599  1.4577 126.859  7.2804  117.199  10.136  137.155  10.464  48.527  2.1162 52.516  2.0187 -3.988995      2.924606  
1 1 1 -5  23  12 o 29.673  1.7595 43.869   5.1303  43.343   5.1747  74.094   39.234  29.490  1.7862 34.513  10.545 -5.023441      10.69513  
1 1 1 -5  23  13 o 48.893  1.5352 118.550  7.4086  114.839  10.850  121.791  10.141  47.981  2.2910 49.459  2.0773 -1.477974      3.092522  
1 1 1 -5  23  14 o 7.7695  2.2798 3.0644   1.8625  -2.2852  2.6327  8.4242   2.6352  4.8965  2.2728 12.831  2.1574 -7.934134      3.133682  
1 1 1 -5  23  15 o 34.691  4.2254 62.654   14.170  62.531   16.710  62.969   26.733  34.268  5.0955 32.609  8.2880 1.658485       9.729077  
1 1 1 -5  23  16 o 45.409  9.5596 127.968  41.491  116.388  49.611  154.919  75.683  40.900  11.699 42.666  14.760 -1.766132      18.83401  
1 1 1 -5  24  3  o 32.938  8.5383 63.714   27.989  74.233   39.710  53.330   39.455  34.325  10.629 29.781  10.628 4.543295       15.03090  
1 1 1 -5  24  4  o 23.056  1.5000 26.463   3.3949  27.933   14.734  26.381   3.4888  22.535  6.3513 23.014  1.5448 -0.4789429     6.536437  
1 1 1 -5  24  5  o 51.027  1.2058 128.875  6.0733  123.598  7.6952  137.591  9.8899  49.923  1.5617 52.611  1.9045 -2.688038      2.462909  
1 1 1 -5  24  6  o 53.935  7.4577 161.445  38.639  166.214  54.762  156.716  54.526  51.464  11.106 49.649  11.371 1.815258       15.89503  
1 1 1 -5  24  7  o 78.910  6.9706 339.338  53.734  345.356  76.041  333.337  75.941  75.402  10.502 73.759  10.747 1.642868       15.02650  
1 1 1 -5  24  8  o 42.114  1.3502 87.860   5.6126  97.342   7.9894  78.619   7.8865  44.259  1.8288 39.696  2.0195 4.563385       2.724514  
1 1 1 -5  24  9  o 4.9850  1.9765 0.6583   1.4478  5.4466   15.361  0.6154   1.4542  15.217  6.2887 4.9543  1.9757 10.26282       6.591707  
1 1 1 -5  24  10 o 45.849  2.8248 105.930  12.721  94.437   17.308  119.435  18.762  42.768  4.1524 48.221  3.9773 -5.453102      5.749904  
1 1 1 -5  24  11 o 56.555  1.5118 158.671  8.4394  140.826  11.709  177.965  12.175  53.118  2.2333 59.762  2.0640 -6.643642      3.040996  
1 1 1 -5  24  12 o 79.506  1.4723 313.576  11.554  292.667  16.321  334.586  16.360  76.583  2.1591 81.939  2.0228 -5.356178      2.958605  
1 1 1 -5  24  13 o 18.393  2.2177 17.138   3.9449  16.262   3.9916  53.876   25.853  17.889  2.3150 29.898  8.4086 -12.00952      8.721424  
1 1 1 -4  -23 1  o 15.324  5.7089 9.5295   11.564  8.2694   13.455  13.090   22.617  15.576  6.0707 19.707  7.8125 -4.131068      9.893850  
1 1 1 -4  -22 1  o 26.091  2.7142 34.197   6.8874  33.638   9.2289  34.901   10.347  25.670  3.7533 26.063  4.1623 -0.3932800     5.604642  
1 1 1 -4  -22 2  o 46.919  1.8302 109.019  8.4755  101.193  10.789  121.630  13.697  45.079  2.4339 49.361  2.8229 -4.282722      3.727303  
1 1 1 -4  -21 1  o 72.465  1.4504 259.607  10.374  256.435  14.646  262.801  14.697  71.957  2.0621 72.847  2.0440 -0.8899078     2.903534  
1 1 1 -4  -21 2  o 31.540  7.9032 53.729   24.553  44.930   36.063  61.334   33.524  29.606  10.192 33.425  9.6337 -3.819040      14.02408  
1 1 1 -4  -21 3  f 77.812  1.5228 299.447  11.696  289.086  15.782  312.069  17.420  76.382  2.0933 79.340  2.2244 -2.957649      3.054529  
1 1 1 -4  -21 4  o 36.444  1.6201 65.719   5.8280  63.005   6.6987  74.171   11.821  35.615  1.9126 38.456  3.1417 -2.840843      3.678036  
1 1 1 -4  -20 1  o 138.316 6.6018 969.191  90.130  1006.09  127.835 932.721  127.096 138.845 9.3830 133.404 9.7191 5.440903       13.50932  
1 1 1 -4  -20 2  o 60.138  2.3113 179.155  13.719  212.096  20.952  154.428  18.152  65.314  3.2500 55.626  3.3213 9.688091       4.646855  
1 1 1 -4  -20 3  o 33.700  1.4972 56.147   4.9800  55.377   6.2582  57.475   8.2232  33.396  1.9064 33.956  2.4704 -0.5601654     3.120503  
1 1 1 -4  -20 4  o 61.425  1.2512 186.445  7.5859  181.686  9.5132  194.756  12.571  60.612  1.5902 62.713  2.0308 -2.101246      2.579327  
1 1 1 -4  -20 5  o 87.427  1.3396 377.811  11.560  357.858  15.429  403.342  17.453  85.028  1.8384 90.252  1.9592 -5.223877      2.686651  
1 1 1 -4  -19 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -19 2  o 10.951  3.9679 4.9199   5.5232  7.4411   8.0809  2.7095   7.5664  13.330  4.8042 11.099  4.4783 2.230646       6.567737  
1 1 1 -4  -19 3  o 26.074  1.5148 33.712   3.8816  31.518   5.1586  36.576   5.8934  25.152  2.0971 27.093  2.2234 -1.941540      3.056339  
1 1 1 -4  -19 4  o 113.391 1.5488 635.594  17.334  604.499  23.740  671.105  25.370  110.493 2.1767 116.416 2.2079 -5.922752      3.100448  
1 1 1 -4  -19 5  o 82.411  1.4859 335.735  12.087  325.939  19.933  341.431  15.201  81.078  2.4908 83.069  1.8539 -1.990776      3.105015  
1 1 1 -4  -19 6  f 42.615  1.2199 89.730   5.1314  80.948   5.8151  120.625  10.907  40.466  1.4559 49.341  2.2397 -8.875084      2.671284  
1 1 1 -4  -19 7  o 60.691  6.6098 190.722  38.956  203.885  56.057  178.427  54.175  61.290  9.5798 57.044  9.9855 4.245644       13.83774  
1 1 1 -4  -18 1  o 130.870 1.7711 846.132  22.877  851.789  32.485  840.566  32.223  131.237 2.5078 130.370 2.5042 0.8671265      3.543980  
1 1 1 -4  -18 2  o 67.459  1.2569 224.718  8.3692  220.444  11.565  229.417  12.126  66.795  1.7542 68.139  1.8030 -1.343765      2.515561  
1 1 1 -4  -18 3  o 42.622  1.0566 89.699   4.4453  80.587   5.4412  107.983  7.7081  40.393  1.3648 46.748  1.6705 -6.355030      2.157133  
1 1 1 -4  -18 4  o 71.473  1.2818 252.320  9.0430  254.000  14.235  251.184  11.709  71.666  2.0124 71.291  1.6640 0.3748016      2.611268  
1 1 1 -4  -18 5  o 56.537  6.5979 163.963  36.126  160.572  51.117  167.347  51.064  54.747  9.8205 56.016  9.5799 -1.269684      13.71918  
1 1 1 -4  -18 6  o 73.245  6.3904 274.090  45.737  250.517  64.895  297.357  64.471  68.414  9.8979 75.183  8.8577 -6.768715      13.28259  
1 1 1 -4  -18 7  o 73.727  6.3863 278.075  46.015  267.909  65.228  288.147  64.923  70.849  9.5726 73.765  9.1105 -2.915779      13.21504  
1 1 1 -4  -18 8  o 67.144  7.5182 235.056  48.971  201.315  84.661  252.022  60.034  57.949  14.761 68.752  9.0678 -10.80368      17.32344  
1 1 1 -4  -17 1  o 126.168 1.9027 786.394  23.695  809.146  39.515  773.620  29.609  127.869 3.1309 125.101 2.3979 2.767639       3.943631  
1 1 1 -4  -17 2  o 64.014  1.0246 202.297  6.4740  211.913  9.1826  192.793  9.1289  65.508  1.4202 62.482  1.4802 3.026680       2.051324  
1 1 1 -4  -17 3  o 156.377 1.9756 1208.39  30.493  1158.62  43.053  1258.48  43.196  153.018 2.8506 159.491 2.7439 -6.473816      3.956613  
1 1 1 -4  -17 4  o 125.073 1.6801 772.848  20.742  801.156  29.197  744.006  29.471  127.281 2.3240 122.645 2.4345 4.635864       3.365705  
1 1 1 -4  -17 5  o 21.704  1.9163 23.468   4.0631  23.269   4.1239  30.073   23.744  21.607  1.9548 24.869  8.2716 -3.262016      8.499434  
1 1 1 -4  -17 6  o 42.598  6.8648 93.999   27.882  98.439   39.857  89.745   39.019  42.796  9.6643 40.806  9.8090 1.989399       13.77004  
1 1 1 -4  -17 7  o 147.352 6.6684 1101.84  96.986  1061.64  137.122 1142.08  137.197 142.086 9.8379 147.730 9.4586 -5.644104      13.64732  
1 1 1 -4  -17 8  o 44.996  6.8304 105.153  29.382  109.425  41.945  101.036  41.171  44.905  9.7435 43.069  9.8932 1.836540       13.88561  
1 1 1 -4  -17 9  o 59.492  9.3731 189.642  53.218  216.272  76.173  164.249  74.383  61.597  12.940 52.959  14.012 8.638458       19.07341  
1 1 1 -4  -16 1  o 177.003 3.0047 1549.65  52.495  1924.72  169.323 1509.76  55.215  195.637 8.7686 174.684 3.2024 20.95279       9.335094  
1 1 1 -4  -16 2  o 198.373 2.4552 1945.08  48.073  1886.22  67.950  2004.05  68.021  195.190 3.5270 201.212 3.4250 -6.022202      4.916274  
1 1 1 -4  -16 3  o 96.942  1.4794 464.075  14.156  469.847  23.723  460.882  17.642  97.492  2.4652 96.592  1.8504 0.9000778      3.082406  
1 1 1 -4  -16 4  o 131.802 3.0497 859.680  39.674  876.818  118.346 857.510  42.111  131.374 9.1844 131.613 3.2416 -0.2387238     9.739728  
1 1 1 -4  -16 5  o 49.039  0.8816 118.716  4.2675  121.352  5.5347  114.852  6.7015  49.577  1.1311 48.225  1.4079 1.351723       1.805950  
1 1 1 -4  -16 6  o 97.315  6.2923 476.817  60.117  484.347  85.294  469.384  84.744  97.095  9.0023 95.532  9.0971 1.563629       12.79841  
1 1 1 -4  -16 7  o 101.802 6.3178 523.566  63.169  563.044  89.593  484.542  89.077  104.493 8.7678 96.541  9.4700 7.951965       12.90562  
1 1 1 -4  -16 8  o 83.239  6.3185 351.877  51.526  355.335  72.863  348.418  72.874  82.429  9.1077 81.562  9.2137 0.8670044      12.95538  
1 1 1 -4  -16 9  o 37.971  6.9198 75.403   24.979  71.329   36.032  79.172   34.660  36.291  9.8203 38.297  9.2689 -2.006065      13.50375  
1 1 1 -4  -16 10 o 37.394  8.0899 74.682   28.991  56.392   49.846  84.032   35.639  33.600  11.950 39.351  9.3193 -5.751041      15.15466  
1 1 1 -4  -15 1  o 98.237  1.3363 476.457  12.957  498.414  18.435  455.024  18.214  100.456 1.8593 95.981  1.9226 4.474754       2.674558  
1 1 1 -4  -15 2  o 122.510 2.1685 741.506  26.222  698.152  107.910 744.227  27.032  117.410 9.3902 122.731 2.2314 -5.321106      9.651670  
1 1 1 -4  -15 3  o 157.257 1.9882 1221.59  30.861  1262.23  43.592  1180.76  43.696  159.782 2.7640 154.529 2.8648 5.253128       3.980837  
1 1 1 -4  -15 4  o 16.885  6.5086 9.3355   15.335  11.823   27.324  8.1917   18.528  21.422  8.5569 17.737  7.0585 3.685390       11.09252  
1 1 1 -4  -15 5  o 93.909  1.2048 435.396  11.168  407.986  15.515  464.870  16.088  90.886  1.7295 97.017  1.6800 -6.131485      2.411136  
1 1 1 -4  -15 6  o 94.569  8.9547 456.020  82.590  416.149  116.234 496.677  117.375 88.412  13.768 97.313  12.510 -8.901711      18.60221  
1 1 1 -4  -15 7  o 138.284 6.5296 958.856  89.123  943.291  126.039 974.421  126.040 135.686 9.4704 138.002 9.3075 -2.316284      13.27852  
1 1 1 -4  -15 8  o 82.027  6.3089 340.088  50.688  348.760  71.801  331.472  71.567  82.093  9.0092 79.914  9.2437 2.179253       12.90786  
1 1 1 -4  -15 9  o 68.365  6.3321 237.678  42.243  243.165  60.020  232.292  59.464  68.096  9.1623 66.466  9.3203 1.629807       13.06965  
1 1 1 -4  -15 10 o 45.794  6.7130 108.362  29.442  116.382  41.913  100.548  41.369  46.584  9.4388 43.084  9.9315 3.500153       13.70129  
1 1 1 -4  -15 11 o 23.081  7.4956 26.631   19.541  36.077   33.406  21.718   24.094  27.600  9.7868 22.521  8.2679 5.079052       12.81169  
1 1 1 -4  -14 1  o 51.770  0.8165 132.287  4.1720  131.256  5.6379  133.534  6.2025  51.565  1.1077 52.009  1.2082 -0.4443626     1.639174  
1 1 1 -4  -14 2  o 74.624  1.0295 274.890  7.5832  291.173  10.815  259.142  10.636  76.795  1.4268 72.447  1.4874 4.348244       2.061071  
1 1 1 -4  -14 3  o 51.480  6.3132 133.829  31.406  141.183  44.638  126.620  44.196  52.339  8.9630 49.406  9.4066 2.933247       12.99305  
1 1 1 -4  -14 4  o 61.174  0.8277 184.716  4.9974  172.387  6.8783  198.500  7.2731  59.093  1.1793 63.411  1.1620 -4.318222      1.655606  
1 1 1 -4  -14 5  o 108.627 1.3448 582.582  14.419  559.588  20.255  606.206  20.530  106.438 1.9280 110.785 1.8775 -4.347305      2.691099  
1 1 1 -4  -14 6  o 95.199  6.2404 453.527  58.313  440.192  82.436  466.882  82.499  93.065  9.0903 95.952  8.8093 -2.886383      12.65849  
1 1 1 -4  -14 7  o 80.562  7.2179 327.592  56.787  323.566  69.539  335.651  98.386  79.572  9.0128 79.689  12.953 -0.1167755     15.78035  
1 1 1 -4  -14 8  o 61.277  6.4058 189.943  38.171  191.117  54.615  188.821  53.372  60.638  9.4315 60.316  9.2609 0.3212547      13.21807  
1 1 1 -4  -14 9  o 58.420  6.3903 173.387  36.248  181.521  51.551  165.432  50.978  58.950  9.1567 56.090  9.5501 2.860058       13.23062  
1 1 1 -4  -14 10 o 33.969  7.2085 60.610   23.421  65.857   34.578  56.162   31.837  35.094  9.6719 32.564  9.3890 2.530109       13.47957  
1 1 1 -4  -14 11 o 44.483  7.8048 103.746  33.018  96.798   40.374  117.776  57.374  42.329  9.8487 46.025  12.366 -3.695797      15.80844  
1 1 1 -4  -14 12 o 87.132  6.3793 386.439  54.482  383.320  77.156  389.541  76.944  85.347  9.3100 86.107  9.1954 -0.7604141     13.08554  
1 1 1 -4  -13 1  o 170.017 2.1247 1427.69  35.655  1398.38  50.394  1457.07  50.454  168.193 3.0355 171.692 2.9772 -3.498688      4.251853  
1 1 1 -4  -13 2  o 87.753  1.3146 380.162  11.386  416.508  19.222  360.514  14.133  91.828  2.1207 85.447  1.6757 6.381470       2.702865  
1 1 1 -4  -13 3  f 97.244  6.1888 472.049  59.093  475.707  83.735  468.419  83.405  97.056  8.8377 96.294  8.8751 0.7622299      12.52488  
1 1 1 -4  -13 4  o 144.439 13.421 1075.13  189.154 0.0000   0.0000  1075.13  189.154 ?       ?      144.439 13.421 0.000000       13.42125  
1 1 1 -4  -13 5  o 26.214  0.5677 33.914   1.4689  34.626   1.9176  32.904   2.2851  26.487  0.7335 25.819  0.8967 0.6678314      1.158481  
1 1 1 -4  -13 6  o 75.271  6.2125 283.842  45.743  287.962  65.257  279.862  64.140  75.224  8.9656 74.150  8.9442 1.073578       12.66413  
1 1 1 -4  -13 7  f 92.382  6.1833 426.874  56.057  422.912  79.311  430.828  79.241  91.300  8.9146 92.185  8.8162 -0.8850403     12.53780  
1 1 1 -4  -13 8  o 83.436  8.9174 354.753  72.301  349.511  101.998 360.048  102.501 81.362  13.149 82.665  12.991 -1.302956      18.48437  
1 1 1 -4  -13 9  o 47.494  6.4808 114.892  29.588  109.956  41.994  119.757  41.695  45.689  9.6162 47.843  9.1631 -2.153648      13.28279  
1 1 1 -4  -13 10 o 99.831  6.3212 502.133  61.965  498.644  87.864  505.585  87.403  98.396  9.1518 99.137  9.0312 -0.7412186     12.85759  
1 1 1 -4  -13 11 o 41.577  6.8567 89.509   27.157  78.971   38.607  99.830   38.208  38.312  10.075 43.281  9.2258 -4.969334      13.66092  
1 1 1 -4  -13 12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -13 13 o 71.978  6.4792 264.452  45.538  251.844  65.228  276.440  63.604  68.755  9.8967 72.485  9.0899 -3.730263      13.43772  
1 1 1 -4  -12 1  o 51.475  0.7805 130.776  3.9656  132.817  5.4112  128.408  5.8286  51.873  1.0569 51.004  1.1578 0.8689651      1.567613  
1 1 1 -4  -12 2  o 87.876  6.0811 385.159  52.421  395.719  74.156  374.612  74.112  88.623  8.5851 86.152  8.8408 2.471588       12.32331  
1 1 1 -4  -12 3  o 136.974 1.9487 926.549  26.345  955.501  44.825  911.269  32.563  139.013 3.2669 135.814 2.4291 3.198578       4.070992  
1 1 1 -4  -12 4  o 41.797  0.5877 86.224   2.4246  83.171   3.1146  90.921   3.8625  41.050  0.7687 42.919  0.9118 -1.868977      1.192591  
1 1 1 -4  -12 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -12 6  o 120.169 6.3623 720.354  75.195  729.517  105.543 710.908  107.160 120.312 8.9518 118.684 9.2200 1.627960       12.85078  
1 1 1 -4  -12 7  o 158.031 6.6185 1243.82  103.237 1253.29  146.071 1234.37  145.927 157.629 9.4318 156.407 9.4974 1.221436       13.38506  
1 1 1 -4  -12 8  o 108.866 6.3477 592.262  67.914  599.115  95.247  585.174  96.862  108.840 8.9452 107.477 9.2200 1.363014       12.84622  
1 1 1 -4  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -12 10 o 103.053 6.3399 533.003  64.174  552.169  91.062  514.091  90.453  104.049 8.9540 100.265 9.2440 3.784050       12.86950  
1 1 1 -4  -12 11 o 20.867  6.8927 20.974   16.498  28.124   24.466  15.012   22.343  24.472  8.3962 20.572  7.8746 3.900352       11.51107  
1 1 1 -4  -12 12 o 56.964  6.5234 165.586  36.017  160.179  50.955  170.985  50.916  54.947  9.7525 56.949  9.3851 -2.001366      13.53480  
1 1 1 -4  -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -12 14 o 19.970  6.8004 18.883   16.048  14.384   23.435  22.855   22.020  20.590  8.0155 22.410  7.9458 -1.819813      11.28645  
1 1 1 -4  -11 1  o 232.244 7.4021 2677.61  169.682 2660.02  239.939 2695.21  239.994 230.788 10.533 232.327 10.466 -1.539063      14.84843  
1 1 1 -4  -11 2  o 237.540 7.4761 2804.47  175.285 2808.85  247.867 2800.08  247.914 236.883 10.601 236.507 10.620 0.3757172      15.00561  
1 1 1 -4  -11 3  o 125.042 1.5542 771.914  19.182  769.410  27.072  774.438  27.184  124.816 2.1974 125.224 2.1994 -0.4071198     3.108971  
1 1 1 -4  -11 4  o 278.759 3.3274 3842.03  91.551  3777.92  129.425 3906.23  129.521 276.160 4.7481 280.827 4.6727 -4.666901      6.661767  
1 1 1 -4  -11 5  o 177.346 6.7876 1564.93  118.815 1505.17  167.966 1624.78  168.095 172.874 9.8848 179.764 9.5074 -6.890793      13.71494  
1 1 1 -4  -11 6  o 39.275  11.548 79.419   47.741  0.0000   0.0000  79.419   47.741  ?       ?      39.275  11.548 0.000000       11.54758  
1 1 1 -4  -11 7  f 141.876 7.4034 1006.46  103.316 1093.48  126.909 835.445  177.907 147.525 8.7547 126.873 14.465 20.65166       16.90816  
1 1 1 -4  -11 8  o 117.956 6.3520 694.244  73.682  676.490  104.198 712.001  104.206 115.743 9.1965 118.830 8.9503 -3.086349      12.83288  
1 1 1 -4  -11 9  o 67.928  6.2297 231.573  41.303  229.119  58.438  234.023  58.386  66.947  9.0777 67.702  8.9572 -0.7544937     12.75287  
1 1 1 -4  -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -11 11 f 86.869  6.3011 379.215  53.660  380.187  76.065  378.252  75.710  86.164  9.0805 85.949  9.0609 0.2151413      12.82793  
1 1 1 -4  -11 12 o 45.793  6.5579 107.388  28.795  114.924  40.898  99.981   40.548  46.680  9.2034 43.350  9.7169 3.330330       13.38360  
1 1 1 -4  -11 13 o 56.304  6.4708 161.713  35.307  146.134  49.288  178.134  50.601  52.383  9.8954 58.268  9.0955 -5.884502      13.44052  
1 1 1 -4  -11 14 o 56.682  6.4734 164.151  35.567  174.398  50.873  154.353  49.745  57.475  9.2840 53.836  9.7191 3.638462       13.44077  
1 1 1 -4  -10 1  o 144.777 9.1881 1045.60  130.618 1033.20  184.641 1058.01  184.802 143.100 13.222 144.857 13.066 -1.757462      18.58846  
1 1 1 -4  -10 2  o 98.187  1.2311 475.859  11.931  445.054  16.765  507.471  16.983  94.948  1.7889 101.390 1.6970 -6.441269      2.465766  
1 1 1 -4  -10 3  o 137.251 1.7097 930.003  23.161  960.382  32.720  899.494  32.791  139.453 2.3771 134.956 2.4616 4.496277       3.422040  
1 1 1 -4  -10 4  o 305.554 3.6401 4616.19  109.784 4618.01  155.236 4614.37  155.279 305.332 5.1510 305.211 5.1544 0.1211548      7.287009  
1 1 1 -4  -10 5  o 39.651  6.3296 79.997   23.939  74.407   33.830  85.604   33.881  37.832  9.1578 40.645  8.7074 -2.813377      12.63659  
1 1 1 -4  -10 6  o 208.489 7.1421 2164.05  146.975 2172.42  207.867 2155.69  207.842 207.979 10.126 207.163 10.165 0.8164673      14.34751  
1 1 1 -4  -10 7  o 146.056 6.4858 1060.73  93.500  1007.94  132.092 1113.75  132.367 141.462 9.5156 148.872 9.0510 -7.409866      13.13270  
1 1 1 -4  -10 8  o 187.736 8.1489 1760.93  151.001 1735.29  186.538 1809.67  257.184 185.447 10.230 187.635 13.987 -2.187820      17.32922  
1 1 1 -4  -10 9  o 175.026 8.0133 1531.16  138.435 1538.40  168.890 1516.35  241.666 174.620 9.8390 171.241 14.433 3.379272       17.46720  
1 1 1 -4  -10 10 o 38.779  6.6283 76.981   24.459  84.682   34.489  69.188   34.692  40.307  8.9061 36.416  9.5383 3.891239       13.04982  
1 1 1 -4  -10 11 o 86.286  13.157 391.649  108.507 0.0000   0.0000  391.649  108.507 ?       ?      86.286  13.157 0.000000       13.15672  
1 1 1 -4  -10 12 o 232.172 7.5821 2711.94  173.752 2774.97  244.535 2647.66  246.927 232.710 10.646 227.009 11.020 5.700073       15.32278  
1 1 1 -4  -10 13 f 20.298  6.5231 20.234   14.828  24.565   20.974  15.908   20.965  22.831  7.7746 20.407  7.6703 2.423616       10.92142  
1 1 1 -4  -10 14 o 98.477  6.2986 490.060  60.902  520.491  87.257  461.152  85.044  100.360 8.9009 94.250  9.2613 6.109489       12.84521  
1 1 1 -4  -10 15 o 53.395  6.4124 145.816  33.119  151.812  46.836  139.820  46.838  53.569  9.1889 51.204  9.6207 2.364792       13.30385  
1 1 1 -4  -9  1  o 38.253  6.2460 74.284   22.769  84.270   32.405  64.546   32.000  40.483  8.3855 35.398  9.1065 5.085289       12.37925  
1 1 1 -4  -9  2  o 70.997  1.0398 248.780  7.2866  209.094  12.329  270.082  9.0330  65.082  1.9193 73.973  1.2372 -8.890869      2.283482  
1 1 1 -4  -9  3  o 47.483  0.6136 111.274  2.8757  110.461  3.9739  112.169  4.1666  47.309  0.8510 47.673  0.8855 -0.3640251     1.228140  
1 1 1 -4  -9  4  o 258.944 3.1686 3312.83  80.986  3354.73  114.515 3270.91  114.548 260.435 4.4548 257.153 4.5130 3.281860       6.341300  
1 1 1 -4  -9  5  o 105.437 6.1853 553.336  64.089  582.073  90.705  524.687  90.567  107.733 8.6017 102.154 9.0767 5.578293       12.50502  
1 1 1 -4  -9  6  o 182.149 6.8296 1649.29  122.788 1679.60  173.695 1619.01  173.601 182.916 9.6548 179.520 9.8347 3.395645       13.78177  
1 1 1 -4  -9  7  o 104.951 8.9083 554.644  91.410  563.747  128.952 545.450  129.599 104.754 12.733 102.918 13.051 1.836037       18.23374  
1 1 1 -4  -9  8  o 201.320 7.0682 2017.79  140.452 1933.98  198.507 2101.80  198.753 195.882 10.303 204.634 9.8402 -8.751236      14.24735  
1 1 1 -4  -9  9  o 218.313 7.3173 2375.25  157.674 2402.31  221.836 2347.62  224.153 218.517 10.285 215.922 10.518 2.595764       14.71069  
1 1 1 -4  -9  10 o 153.515 6.5836 1173.02  99.757  1153.56  141.069 1192.48  141.088 151.264 9.4967 153.858 9.3346 -2.594208      13.31621  
1 1 1 -4  -9  11 o 71.332  7.2163 256.524  50.109  245.406  86.460  262.147  61.489  68.117  13.337 71.741  8.8727 -3.623444      16.01866  
1 1 1 -4  -9  12 o 154.290 6.6224 1188.87  100.852 1185.05  142.613 1192.70  142.641 152.818 9.5018 153.324 9.4717 -0.5068054     13.41637  
1 1 1 -4  -9  13 o 52.705  6.3619 140.964  32.426  138.273  45.920  143.641  45.796  51.403  9.3969 52.478  9.1755 -1.074955      13.13361  
1 1 1 -4  -9  14 o 126.883 6.4778 811.496  80.856  776.307  114.197 846.872  114.500 122.628 9.5092 128.343 9.0975 -5.715363      13.16011  
1 1 1 -4  -9  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -9  16 o 52.267  6.5429 140.094  33.015  141.698  47.160  138.551  46.234  51.517  9.6285 50.960  9.5425 0.5570335      13.55606  
1 1 1 -4  -8  1  f 365.074 4.2480 6584.69  153.075 6753.52  216.490 6415.88  216.471 369.534 5.9354 360.158 6.0894 9.376007       8.503493  
1 1 1 -4  -8  2  o 250.580 3.0188 3100.75  74.665  3148.27  105.587 3053.22  105.598 252.417 4.2380 248.572 4.3040 3.844498       6.040258  
1 1 1 -4  -8  3  o 229.723 3.1398 2606.25  71.195  2714.68  118.141 2544.42  89.213  234.318 5.1081 226.934 3.9829 7.384644       6.477371  
1 1 1 -4  -8  4  o 115.180 1.4138 654.833  16.074  656.705  22.703  652.952  22.760  115.334 1.9943 115.004 2.0051 0.3302383      2.827979  
1 1 1 -4  -8  5  o 121.902 6.2782 738.447  75.284  746.467  106.486 730.433  106.450 122.146 8.8935 120.803 8.9920 1.343460       12.64710  
1 1 1 -4  -8  6  o 183.358 6.8457 1669.57  123.895 1735.75  174.290 1601.97  176.152 186.186 9.5158 178.705 10.027 7.480698       13.82365  
1 1 1 -4  -8  7  o 67.539  6.0753 228.198  40.067  244.102  56.660  212.292  56.665  69.456  8.4382 64.557  9.1488 4.898674       12.44606  
1 1 1 -4  -8  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -8  9  o 172.135 6.7777 1473.99  115.156 1428.96  163.872 1517.93  161.858 168.456 9.8992 173.781 9.4720 -5.325607      13.70080  
1 1 1 -4  -8  10 o 185.380 6.8767 1710.66  125.828 1726.01  177.973 1695.31  177.923 185.160 9.7727 183.469 9.8613 1.691315       13.88344  
1 1 1 -4  -8  11 o 49.444  6.2596 123.478  29.864  127.623  41.959  119.222  42.516  49.751  8.8697 47.953  9.3183 1.797817       12.86480  
1 1 1 -4  -8  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -8  13 o 83.624  6.2021 350.784  50.828  333.488  71.701  368.255  72.062  80.756  9.1573 85.045  8.7075 -4.288979      12.63633  
1 1 1 -4  -8  14 o 123.165 6.4497 762.300  78.135  758.639  110.523 765.958  110.476 121.720 9.2690 122.334 9.2170 -0.6136475     13.07161  
1 1 1 -4  -8  15 o 51.451  6.4030 135.065  31.814  131.910  45.134  138.180  44.850  49.916  9.5081 51.213  9.2111 -1.297623      13.23812  
1 1 1 -4  -8  16 o 56.183  6.4114 160.988  34.917  161.043  49.418  160.934  49.344  55.214  9.4049 55.199  9.3931 0.1478958E-01  13.29214  
1 1 1 -4  -7  1  o 155.067 1.8923 1186.94  28.963  1188.63  40.940  1185.25  40.980  155.162 2.6732 154.940 2.6797 0.2214508      3.785024  
1 1 1 -4  -7  2  o 256.229 3.0695 3241.89  77.631  3199.71  109.763 3284.10  109.809 254.486 4.3698 257.823 4.3150 -3.337814      6.141225  
1 1 1 -4  -7  3  o 204.735 2.4934 2069.53  50.388  1990.58  71.219  2148.66  71.298  200.746 3.5943 208.572 3.4633 -7.825607      4.991346  
1 1 1 -4  -7  4  o 178.427 2.2748 1571.74  40.063  1571.68  57.464  1571.80  55.884  178.390 3.2636 178.400 3.1737 -0.1062012E-01 4.552238  
1 1 1 -4  -7  5  o 197.041 3.1810 1917.76  61.867  1959.90  87.480  1875.59  87.506  199.111 4.4512 194.773 4.5517 4.337357       6.366457  
1 1 1 -4  -7  6  o 171.998 6.6957 1467.14  113.673 1453.17  160.740 1481.11  160.775 170.480 9.5915 172.137 9.4993 -1.657547      13.49942  
1 1 1 -4  -7  7  o 58.101  6.1496 169.289  34.731  164.643  49.564  173.772  48.681  56.745  9.1611 58.422  8.7081 -1.677036      12.63951  
1 1 1 -4  -7  8  o 83.549  6.1721 348.383  50.539  350.435  70.859  346.259  72.103  83.334  8.7450 82.783  8.9676 0.5510941      12.52573  
1 1 1 -4  -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -7  10 o 167.778 6.6996 1400.03  110.948 1401.04  156.899 1399.03  156.908 166.911 9.5635 166.788 9.5713 0.1227722      13.53031  
1 1 1 -4  -7  11 o 135.686 6.4305 915.492  86.122  879.230  121.715 951.850  121.875 132.091 9.3968 137.571 9.0255 -5.479355      13.02915  
1 1 1 -4  -7  12 o 263.420 7.9031 3467.95  205.484 3445.30  290.579 3490.60  290.619 260.868 11.285 262.620 11.211 -1.752716      15.90766  
1 1 1 -4  -7  13 o 63.737  13.113 215.647  79.740  0.0000   0.0000  215.647  79.740  ?       ?      63.737  13.113 0.000000       13.11267  
1 1 1 -4  -7  14 o 30.002  7.1006 46.892   20.700  50.407   28.787  43.130   29.787  31.185  8.9088 29.303  9.2273 1.881147       12.82613  
1 1 1 -4  -7  15 o 170.816 6.8366 1467.34  115.267 1468.84  163.006 1465.84  163.018 168.990 9.8148 168.809 9.8263 0.1815948      13.88837  
1 1 1 -4  -7  16 o 43.001  12.556 100.707  56.615  0.0000   0.0000  100.707  56.615  ?       ?      43.001  12.556 0.000000       12.55573  
1 1 1 -4  -7  17 o 20.316  6.5748 20.296   15.043  22.251   21.541  18.435   21.018  22.211  7.8607 21.038  7.7224 1.173185       11.01933  
1 1 1 -4  -6  1  o 232.573 2.8162 2670.72  64.649  2662.58  91.415  2678.87  91.438  232.163 3.9893 232.873 3.9781 -0.7098083     5.633782  
1 1 1 -4  -6  2  o 113.977 1.4298 641.189  16.086  648.423  22.765  633.976  22.732  114.612 2.0124 113.327 2.0322 1.284233       2.859986  
1 1 1 -4  -6  3  f 337.977 3.9849 5642.47  132.933 5442.55  187.964 5842.53  188.027 331.774 5.7398 343.771 5.5414 -11.99692      7.978255  
1 1 1 -4  -6  4  o 350.693 4.1559 6076.71  143.857 5993.05  203.428 6160.39  203.460 348.059 5.9214 352.897 5.8412 -4.837341      8.317571  
1 1 1 -4  -6  5  o 210.409 2.7319 2186.05  56.737  2125.73  80.212  2246.45  80.265  207.429 3.9177 213.243 3.8134 -5.814240      5.467277  
1 1 1 -4  -6  6  o 50.551  6.1408 128.382  30.011  121.290  42.413  135.492  42.470  48.611  9.1760 51.539  8.6555 -2.927647      12.61413  
1 1 1 -4  -6  7  o 144.866 6.4410 1040.56  92.099  993.848  130.173 1087.39  130.322 140.898 9.4143 147.495 8.9947 -6.597519      13.02051  
1 1 1 -4  -6  8  o 114.467 6.2576 652.047  70.432  650.133  99.615  653.960  99.597  113.809 8.9397 114.153 8.9101 -0.3434677     12.62173  
1 1 1 -4  -6  9  o 188.721 6.9523 1771.01  129.503 1780.92  182.035 1760.85  184.275 188.298 9.8285 187.171 10.011 1.127228       14.02915  
1 1 1 -4  -6  10 o 71.534  6.1759 255.989  43.179  266.556  61.665  245.824  60.480  72.519  8.7950 69.552  9.0224 2.967003       12.59981  
1 1 1 -4  -6  11 o 156.945 6.5941 1224.82  102.150 1225.05  144.447 1224.59  144.476 156.080 9.4204 156.049 9.4242 0.3056335E-01  13.32514  
1 1 1 -4  -6  12 o 114.147 6.3250 649.790  70.983  624.238  100.327 675.401  100.443 111.220 9.2223 115.813 8.8538 -4.593674      12.78438  
1 1 1 -4  -6  13 o 90.699  7.2231 412.969  64.128  393.317  78.366  452.803  111.569 88.048  9.1510 93.548  12.388 -5.500580      15.40121  
1 1 1 -4  -6  14 o 41.112  6.7512 86.533   26.445  78.746   37.745  94.041   37.061  38.726  9.8512 42.418  9.1229 -3.691509      13.42657  
1 1 1 -4  -6  15 o 95.691  7.2907 462.585  68.343  431.122  118.519 478.259  83.652  89.757  13.821 96.788  8.8545 -7.030708      16.41438  
1 1 1 -4  -6  16 o 80.302  6.2655 325.596  49.268  323.406  69.572  327.799  69.781  79.068  9.0792 79.625  9.0390 -0.5562820     12.81152  
1 1 1 -4  -6  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -6  18 f 23.907  6.7479 29.734   16.619  19.862   23.501  39.609   23.504  21.988  8.1490 27.546  8.1034 -5.558622      11.49221  
1 1 1 -4  -5  1  o 364.489 4.8014 6567.14  172.739 6581.13  244.287 6553.15  244.292 364.581 6.7885 363.803 6.8031 0.7785034      9.610735  
1 1 1 -4  -5  2  f 370.843 4.5649 6795.45  167.092 6779.54  223.302 6815.68  251.880 370.229 6.1107 371.105 6.8764 -0.8767700     9.199213  
1 1 1 -4  -5  3  o 133.783 1.6331 883.429  21.565  896.377  30.517  870.514  30.478  134.751 2.2944 132.792 2.3253 1.958710       3.266744  
1 1 1 -4  -5  4  o 262.670 3.1512 3406.97  81.700  3349.81  115.533 3464.15  115.550 260.381 4.4953 264.793 4.4211 -4.411499      6.305100  
1 1 1 -4  -5  5  o 266.980 3.2010 3520.22  84.354  3503.22  119.293 3537.21  119.295 266.239 4.5395 267.529 4.5177 -1.290314      6.404451  
1 1 1 -4  -5  6  o 225.755 2.9316 2516.80  65.324  2565.97  92.400  2467.67  92.365  227.882 4.1080 223.468 4.1875 4.413101       5.866103  
1 1 1 -4  -5  7  o 179.746 2.2207 1595.23  39.400  1630.39  55.730  1560.09  55.709  181.676 3.1078 177.712 3.1760 3.963684       4.443573  
1 1 1 -4  -5  8  o 162.250 2.2902 1300.01  36.677  1328.94  45.574  1246.81  61.791  164.020 2.8151 158.798 3.9423 5.221848       4.844194  
1 1 1 -4  -5  9  o 194.982 3.2037 1879.04  61.657  1882.31  87.219  1875.78  87.174  195.008 4.5313 194.668 4.5369 0.3392792      6.412207  
1 1 1 -4  -5  10 o 38.021  0.8329 71.351   3.1257  71.351   3.1257  0.0000   0.0000  38.021  0.8329 ?       ?      0.000000       0.8328837 
1 1 1 -4  -5  11 o 114.022 6.2751 647.790  70.351  670.013  99.550  625.620  99.432  115.444 8.8028 111.457 9.1181 3.986885       12.67395  
1 1 1 -4  -5  12 o 98.691  6.3712 486.123  61.732  471.552  87.246  500.730  87.358  96.592  9.2648 99.629  8.9799 -3.037552      12.90253  
1 1 1 -4  -5  13 o 105.362 6.2651 553.955  64.861  540.272  91.714  567.644  91.740  103.426 9.0758 106.092 8.8412 -2.666412      12.67036  
1 1 1 -4  -5  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -5  15 o 103.029 6.2869 531.759  63.628  546.637  90.128  516.976  89.840  103.711 8.8904 100.758 9.1328 2.953003       12.74548  
1 1 1 -4  -5  16 o 29.076  6.9356 44.156   19.626  40.248   27.934  47.964   27.579  28.269  8.9395 30.368  8.7336 -2.098799      12.49763  
1 1 1 -4  -5  17 f 98.735  6.3918 492.335  61.957  481.275  88.400  503.014  86.862  96.350  9.4157 98.714  9.0145 -2.363564      13.03518  
1 1 1 -4  -5  18 o 24.038  6.9155 29.920   17.289  32.980   24.831  27.041   24.087  25.781  8.4532 24.031  8.3260 1.749979       11.86500  
1 1 1 -4  -4  1  o 68.318  1.1788 230.372  7.9492  230.372  7.9492  0.0000   0.0000  68.318  1.1788 ?       ?      0.000000       1.178838  
1 1 1 -4  -4  2  o 87.419  1.0896 377.181  9.4016  360.435  13.262  394.096  13.330  85.453  1.5724 89.354  1.5114 -3.901749      2.180967  
1 1 1 -4  -4  3  o 74.885  0.9135 276.765  6.7518  289.392  9.5583  264.190  9.5388  76.572  1.2647 73.162  1.3209 3.410500       1.828716  
1 1 1 -4  -4  4  o 267.938 3.3487 3545.18  88.561  3491.31  119.865 3609.94  131.420 265.825 4.5684 270.279 4.9262 -4.453339      6.718493  
1 1 1 -4  -4  5  o 169.630 2.1012 1420.42  35.180  1441.74  49.162  1398.04  50.365  170.878 2.9148 168.265 3.0325 2.613083       4.206195  
1 1 1 -4  -4  6  o 253.173 3.3205 3165.50  82.976  3251.88  117.380 3079.22  117.312 256.519 4.6360 249.607 4.7616 6.912003       6.645659  
1 1 1 -4  -4  7  o 320.815 3.8042 5085.17  120.461 5120.87  170.366 5049.47  170.350 321.760 5.3644 319.504 5.4017 2.256042       7.612831  
1 1 1 -4  -4  8  o 207.220 2.5682 2120.60  52.528  2084.34  74.186  2157.06  74.387  205.370 3.6598 208.925 3.6072 -3.555511      5.138678  
1 1 1 -4  -4  9  o 213.114 2.6205 2243.44  55.122  2202.89  77.900  2284.10  78.009  211.083 3.7390 214.945 3.6769 -3.861893      5.244019  
1 1 1 -4  -4  10 o 205.839 2.5277 2093.03  51.355  2069.86  72.626  2116.21  72.628  204.594 3.5964 206.877 3.5568 -2.282547      5.058132  
1 1 1 -4  -4  11 o 63.418  0.7736 198.505  4.8427  187.542  6.8506  209.454  6.8465  61.639  1.1260 65.141  1.0648 -3.502090      1.549774  
1 1 1 -4  -4  12 o 131.748 1.6494 857.032  21.449  844.348  30.358  869.675  30.309  130.738 2.3526 132.686 2.3143 -1.948334      3.300059  
1 1 1 -4  -4  13 o 63.149  0.9668 196.842  6.0263  176.088  7.2570  242.949  10.817  59.724  1.2310 70.147  1.5622 -10.42242      1.988974  
1 1 1 -4  -4  14 f 151.735 1.9032 1137.10  28.504  1161.68  40.363  1112.66  40.258  153.311 2.6673 150.037 2.7184 3.273453       3.808478  
1 1 1 -4  -4  15 o 162.904 2.3016 1311.42  37.008  1287.63  62.246  1324.43  46.027  161.218 3.9117 163.652 2.8494 -2.433777      4.839445  
1 1 1 -4  -4  16 o 90.898  1.6750 408.139  15.028  410.845  21.509  405.558  21.006  91.155  2.3906 90.569  2.3498 0.5855026      3.352098  
1 1 1 -4  -4  17 o 89.872  1.3744 398.940  12.192  337.990  20.650  431.555  15.106  82.642  2.5316 93.458  1.6375 -10.81577      3.015009  
1 1 1 -4  -4  18 o 38.474  1.1488 73.102   4.3624  67.818   7.3646  75.958   5.4146  36.977  2.0255 39.212  1.3990 -2.235630      2.461694  
1 1 1 -4  -4  19 o 61.641  1.3763 187.717  8.3736  189.172  11.755  186.218  11.931  61.847  1.9257 61.360  1.9699 0.4877434      2.754793  
1 1 1 -4  -3  1  o 173.882 2.2999 1493.03  39.473  1560.72  61.302  1445.08  51.592  177.713 3.4948 171.029 3.0562 6.683121       4.642642  
1 1 1 -4  -3  2  o 173.960 2.2610 1494.17  38.822  1437.62  54.874  1550.85  54.932  170.595 3.2589 177.191 3.1408 -6.596832      4.526064  
1 1 1 -4  -3  3  o 121.902 1.5420 733.483  18.553  716.784  26.635  749.223  25.859  120.496 2.2395 123.194 2.1266 -2.698425      3.088338  
1 1 1 -4  -3  4  o 337.308 4.4307 5621.21  147.514 5377.90  208.583 5864.67  208.650 329.730 6.4090 344.362 6.1386 -14.63184      8.874534  
1 1 1 -4  -3  5  o 151.176 1.9207 1128.12  28.660  1095.81  40.068  1161.97  41.012  148.980 2.7248 153.411 2.7084 -4.431671      3.841903  
1 1 1 -4  -3  6  o 51.710  0.6277 131.966  3.2039  126.112  4.4544  138.242  4.6118  50.549  0.8928 52.925  0.8828 -2.375275      1.255564  
1 1 1 -4  -3  7  o 202.758 2.6307 2029.85  52.649  2000.18  74.447  2059.54  74.466  201.223 3.7483 204.189 3.6948 -2.966888      5.263236  
1 1 1 -4  -3  8  o 103.386 1.2842 527.585  13.105  526.031  18.556  529.133  18.510  103.226 1.8212 103.531 1.8114 -0.3040924     2.568649  
1 1 1 -4  -3  9  o 223.970 2.7450 2477.74  60.682  2429.22  85.805  2526.29  85.830  221.667 3.9217 226.060 3.8466 -4.392944      5.493327  
1 1 1 -4  -3  10 o 133.823 1.6698 884.169  22.056  873.840  31.195  894.496  31.190  133.012 2.3760 134.577 2.3481 -1.564148      3.340497  
1 1 1 -4  -3  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  -3  12 o 133.704 6.4039 888.328  84.513  900.898  119.469 875.737  119.570 133.887 9.0943 131.958 9.2385 1.928909       12.96363  
1 1 1 -4  -3  13 o 156.517 6.7127 1218.68  103.703 1214.29  146.675 1223.06  146.641 155.306 9.6156 155.880 9.5772 -0.5741730     13.57137  
1 1 1 -4  -3  14 o 90.311  6.2346 407.441  55.235  384.195  77.912  430.931  78.319  87.057  9.2068 92.379  8.6916 -5.322243      12.66129  
1 1 1 -4  -3  15 o 55.165  1.2495 150.240  6.8033  155.361  9.8439  145.557  9.4132  56.087  1.7782 54.289  1.7567 1.798134       2.499537  
1 1 1 -4  -3  16 o 124.255 1.6003 762.516  19.627  753.306  27.748  771.737  27.766  123.456 2.2771 124.959 2.2512 -1.503288      3.202039  
1 1 1 -4  -3  17 o 171.439 2.4282 1453.78  41.090  1515.11  69.108  1420.24  51.104  174.680 4.0082 169.339 3.0575 5.341324       5.041218  
1 1 1 -4  -3  18 o 22.884  1.6160 26.005   3.6266  23.258   4.8986  29.337   5.3948  21.555  2.3401 24.245  2.2812 -2.690145      3.268015  
1 1 1 -4  -3  19 o 81.003  1.4315 324.174  11.445  315.069  20.336  328.395  13.846  79.760  2.5831 81.509  1.7210 -1.749207      3.103946  
1 1 1 -4  -2  1  o 158.830 2.0745 1245.63  32.521  1239.12  43.748  1253.67  48.621  158.381 2.7985 159.292 3.0924 -0.9103851     4.170684  
1 1 1 -4  -2  2  o 131.408 2.1443 852.618  27.812  782.390  111.565 857.272  28.719  125.052 9.1011 131.764 2.2082 -6.712440      9.365174  
1 1 1 -4  -2  3  o 281.046 3.4855 3901.71  96.689  3969.64  136.754 3833.80  136.725 283.356 4.8896 278.457 4.9746 4.898834       6.975290  
1 1 1 -4  -2  4  o 277.056 3.4442 3790.90  94.187  3782.97  139.991 3797.46  127.313 276.647 5.1267 277.215 4.6529 -0.5674438     6.923331  
1 1 1 -4  -2  5  o 262.841 3.2792 3411.48  85.073  3414.01  126.118 3409.37  115.238 262.846 4.8612 262.695 4.4444 0.1510925      6.586630  
1 1 1 -4  -2  6  o 191.981 2.5029 1819.59  47.428  1838.71  67.103  1800.51  67.044  192.954 3.5233 190.937 3.5574 2.016403       5.006907  
1 1 1 -4  -2  7  f 270.480 5.0164 3616.21  133.925 3643.52  189.382 3588.88  189.414 271.290 7.0725 269.241 7.1275 2.048553       10.04098  
1 1 1 -4  -2  8  o 124.944 8.9691 779.052  109.874 779.052  109.874 0.0000   0.0000  124.944 8.9691 ?       ?      0.000000       8.969064  
1 1 1 -4  -2  9  o 253.084 10.905 3198.76  272.403 3198.76  272.403 0.0000   0.0000  253.084 10.905 ?       ?      0.000000       10.90470  
1 1 1 -4  -2  10 o 381.926 9.6424 7284.67  363.495 7334.81  513.893 7234.46  514.226 380.981 13.666 378.297 13.772 2.684143       19.40143  
1 1 1 -4  -2  11 o 308.344 3.6924 4701.89  112.376 4643.24  158.922 4760.55  158.925 306.089 5.2602 309.948 5.1948 -3.858490      7.392973  
1 1 1 -4  -2  12 f 319.551 3.8035 5051.46  119.967 5059.39  169.606 5043.52  169.712 319.422 5.3795 318.917 5.3914 0.5049133      7.616176  
1 1 1 -4  -2  13 f 152.107 3.3919 1144.12  50.925  1047.70  138.133 1159.29  54.784  144.195 9.7630 153.090 3.6255 -8.895355      10.41441  
1 1 1 -4  -2  14 o 128.769 1.6339 818.730  20.766  808.190  29.337  829.315  29.399  127.905 2.3238 129.567 2.2988 -1.662178      3.268712  
1 1 1 -4  -2  15 o 103.198 1.3895 525.806  14.153  539.887  20.112  511.991  19.921  104.551 1.9489 101.812 1.9823 2.738342       2.779900  
1 1 1 -4  -2  16 o 144.183 2.1041 1027.12  29.944  1029.46  50.064  1025.82  37.364  144.201 3.5174 144.046 2.6279 0.1543884      4.390723  
1 1 1 -4  -2  17 f 125.849 1.6468 782.351  20.456  783.862  28.979  780.850  28.881  125.913 2.3317 125.671 2.3283 0.2417908      3.295138  
1 1 1 -4  -2  18 o 123.836 1.6564 757.750  20.246  793.302  28.817  723.096  28.451  126.636 2.3055 120.893 2.3843 5.743156       3.316667  
1 1 1 -4  -2  19 o 45.036  1.2613 100.177  5.6067  102.307  7.6459  97.700   8.2461  45.497  1.7026 44.453  1.8794 1.043575       2.535935  
1 1 1 -4  -2  20 o 62.149  1.2368 190.792  7.5866  197.013  10.392  183.692  11.102  63.131  1.6677 60.948  1.8454 2.182781       2.487310  
1 1 1 -4  -1  1  o 121.329 1.5331 726.700  18.360  755.718  27.743  704.090  24.489  123.707 2.2721 119.413 2.0777 4.294388       3.078860  
1 1 1 -4  -1  2  o 103.258 1.2609 526.292  12.851  500.511  18.126  552.354  18.224  100.687 1.8239 105.775 1.7455 -5.087807      2.524553  
1 1 1 -4  -1  3  o 200.706 5.2520 1993.11  104.044 0.0000   0.0000  1993.11  104.044 ?       ?      200.706 5.2520 0.000000       5.251992  
1 1 1 -4  -1  4  o 120.416 6.2115 719.331  73.576  716.677  104.053 721.984  104.050 119.872 8.8571 120.323 8.8226 -0.4508896     12.50148  
1 1 1 -4  -1  5  o 122.457 6.2299 743.593  75.052  716.140  106.112 771.076  106.168 119.851 9.0364 124.432 8.6990 -4.580910      12.54309  
1 1 1 -4  -1  6  o 145.239 9.1404 1049.92  130.365 0.0000   0.0000  1049.92  130.365 ?       ?      145.239 9.1404 0.000000       9.140396  
1 1 1 -4  -1  7  o 221.129 10.352 2428.72  225.941 0.0000   0.0000  2428.72  225.941 ?       ?      221.129 10.352 0.000000       10.35182  
1 1 1 -4  -1  8  o 182.153 3.1720 1638.61  57.030  1670.33  85.566  1613.25  76.498  183.831 4.7157 180.686 4.2894 3.144852       6.374688  
1 1 1 -4  -1  9  f 328.333 4.3339 5329.21  140.451 5527.38  198.665 5131.20  198.591 334.121 6.0240 321.884 6.2507 12.23682       8.680970  
1 1 1 -4  -1  10 o 350.463 4.3662 6075.10  151.034 5945.28  202.258 6238.72  227.078 346.376 5.9159 354.675 6.4865 -8.298950      8.779126  
1 1 1 -4  -1  11 o 112.950 1.4644 629.813  16.326  650.056  22.857  608.727  23.328  114.735 2.0183 111.024 2.1287 3.710861       2.933411  
1 1 1 -4  -1  12 o 138.835 1.8156 951.768  24.880  909.045  35.129  994.770  35.244  135.643 2.6238 141.901 2.5163 -6.257965      3.635398  
1 1 1 -4  -1  13 o 66.980  0.9090 221.443  6.0096  216.293  8.3976  226.848  8.6037  66.192  1.2853 67.788  1.2859 -1.595795      1.818119  
1 1 1 -4  -1  14 f 172.155 6.8513 1475.22  116.420 1489.24  164.754 1461.25  164.531 171.962 9.7467 170.304 9.8297 1.657639       13.84273  
1 1 1 -4  -1  15 f 83.713  1.1437 345.939  9.4502  334.138  13.259  358.123  13.473  82.261  1.6330 85.163  1.6027 -2.902168      2.288130  
1 1 1 -4  -1  16 o 120.810 1.5960 720.726  19.032  710.255  26.995  731.075  26.836  119.892 2.2812 121.640 2.2352 -1.747551      3.193702  
1 1 1 -4  -1  17 o 158.438 1.9812 1240.33  30.984  1192.14  43.660  1289.22  43.976  155.231 2.8495 161.441 2.7598 -6.209534      3.966878  
1 1 1 -4  -1  18 o 95.634  1.3381 451.691  12.630  436.339  17.735  467.493  17.992  93.959  1.9123 97.259  1.8742 -3.299324      2.677607  
1 1 1 -4  -1  19 o 91.409  1.6058 412.899  14.488  394.583  17.181  457.985  26.956  89.331  1.9486 96.138  2.8407 -6.806961      3.444754  
1 1 1 -4  -1  20 o 59.257  1.4245 173.492  8.3321  174.955  11.752  172.015  11.815  59.474  2.0020 58.970  2.0298 0.5036354      2.850982  
1 1 1 -4  0   1  o 89.435  5.9945 398.165  52.611  404.098  74.421  392.238  74.384  89.717  8.5056 88.355  8.6399 1.362282       12.12409  
1 1 1 -4  0   2  o 166.440 6.5794 1374.20  108.088 1325.53  152.827 1422.91  152.893 162.733 9.5566 168.705 9.2166 -5.971863      13.27683  
1 1 1 -4  0   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  0   4  o 232.736 7.3891 2683.75  169.742 2666.66  240.983 2700.57  239.131 231.522 10.545 233.015 10.397 -1.493225      14.80902  
1 1 1 -4  0   5  o 94.635  6.0929 444.778  56.610  459.758  79.402  429.292  80.732  95.947  8.4713 92.624  8.9418 3.323341       12.31737  
1 1 1 -4  0   6  o 108.063 1.2893 576.365  13.752  576.824  19.476  575.909  19.422  108.101 1.8253 108.015 1.8217 0.8569336E-01  2.578809  
1 1 1 -4  0   7  o 402.171 4.7098 7992.56  186.957 7984.21  264.444 8000.90  264.351 401.700 6.6696 402.121 6.6602 -0.4210815     9.425611  
1 1 1 -4  0   8  o 131.768 1.7069 857.047  22.199  891.014  31.421  823.195  31.368  134.342 2.3696 129.126 2.4612 5.215729       3.416493  
1 1 1 -4  0   9  o 265.892 3.3393 3492.26  87.639  3451.37  129.966 3526.36  118.681 264.184 4.9841 267.088 4.5019 -2.904083      6.716295  
1 1 1 -4  0   10 o 215.770 2.7273 2299.48  58.084  2250.29  85.222  2342.15  79.375  213.347 4.0470 217.690 3.6941 -4.342636      5.479494  
1 1 1 -4  0   11 o 135.732 1.7748 909.608  23.778  934.913  33.687  884.482  33.567  137.579 2.4807 133.814 2.5414 3.764847       3.551440  
1 1 1 -4  0   12 o 114.984 1.5094 652.739  17.131  661.714  24.179  643.692  24.276  115.752 2.1163 114.163 2.1544 1.588661       3.019929  
1 1 1 -4  0   13 o 68.992  0.9562 234.949  6.5116  230.578  9.0601  239.620  9.3650  68.342  1.3431 69.669  1.3619 -1.326767      1.912741  
1 1 1 -4  0   14 o 117.256 1.4892 678.814  17.235  657.817  24.276  700.156  24.474  115.404 2.1311 119.062 2.0826 -3.658188      2.979749  
1 1 1 -4  0   15 o 44.193  1.2376 96.416   5.3983  95.820   5.4495  127.698  39.471  44.056  1.2532 49.890  8.3076 -5.833672      8.401617  
1 1 1 -4  0   16 o 177.306 2.3719 1553.44  41.510  1526.39  58.720  1580.46  58.687  175.641 3.3871 178.733 3.3266 -3.091934      4.747507  
1 1 1 -4  0   17 o 160.082 2.0624 1266.19  32.587  1240.99  45.929  1291.73  46.242  158.386 2.9379 161.596 2.8992 -3.210403      4.127519  
1 1 1 -4  0   18 o 111.277 6.3648 622.094  69.617  629.067  98.678  615.185  98.231  110.895 9.0952 109.629 9.1620 1.266548       12.90992  
1 1 1 -4  0   19 o 60.752  6.3715 187.590  37.638  199.644  53.918  176.135  52.565  61.806  9.1116 57.830  9.5417 3.975903       13.19337  
1 1 1 -4  0   20 o 54.128  6.3690 149.669  33.376  174.695  47.691  125.646  46.726  57.783  8.6262 48.329  10.120 9.453861       13.29737  
1 1 1 -4  0   21 o 65.540  1.7275 212.391  11.176  206.401  18.021  216.135  14.246  64.507  2.8303 66.078  2.1842 -1.571083      3.575115  
1 1 1 -4  1   1  o 87.546  5.9551 381.573  51.153  393.697  72.357  369.459  72.325  88.563  8.3769 85.717  8.6676 2.846794       12.05404  
1 1 1 -4  1   2  o 121.118 6.2021 729.207  73.897  752.593  104.516 705.831  104.495 122.632 8.6910 118.685 8.9867 3.947571       12.50172  
1 1 1 -4  1   3  o 115.187 1.6706 654.995  18.994  644.151  32.026  660.878  23.591  114.198 2.8412 115.694 2.0659 -1.496269      3.512891  
1 1 1 -4  1   4  o 412.144 4.9469 8399.10  201.242 8401.94  274.012 8395.79  296.518 411.876 6.7401 411.599 7.2986 0.2767029      9.934780  
1 1 1 -4  1   5  o 204.786 4.2426 2071.99  85.757  2076.50  94.806  2051.69  201.133 204.984 4.6858 203.264 10.025 1.719772       11.06615  
1 1 1 -4  1   6  o 409.395 5.3018 8284.66  214.239 8360.66  347.559 8238.09  272.075 410.746 8.5728 408.042 6.7554 2.703430       10.91457  
1 1 1 -4  1   7  o 292.397 3.4655 4222.30  100.016 4250.43  141.459 4194.19  141.429 293.268 4.8869 291.319 4.9186 1.949158       6.933521  
1 1 1 -4  1   8  o 200.017 2.7666 1975.45  54.619  1930.19  73.255  2032.12  81.963  197.667 3.7546 202.801 4.0946 -5.133621      5.555475  
1 1 1 -4  1   9  o 132.245 1.6708 863.282  21.809  887.585  30.872  839.070  30.814  134.080 2.3328 130.363 2.3948 3.717331       3.343158  
1 1 1 -4  1   10 o 161.878 2.0109 1293.77  32.130  1265.90  45.365  1321.82  45.512  160.092 2.8709 163.592 2.8186 -3.500031      4.023257  
1 1 1 -4  1   11 o 93.856  1.2200 434.817  11.302  420.269  16.050  449.127  15.918  92.262  1.7624 95.379  1.6908 -3.116570      2.442348  
1 1 1 -4  1   12 o 306.220 3.9263 4638.84  118.672 4793.21  172.631 4500.52  163.403 310.882 5.6259 301.275 5.4949 9.607361       7.864151  
1 1 1 -4  1   13 o 173.720 2.2923 1490.71  39.306  1473.44  55.559  1508.01  55.616  172.632 3.2606 174.648 3.2263 -2.016663      4.586989  
1 1 1 -4  1   14 o 179.413 2.3076 1590.12  40.864  1580.31  56.166  1601.15  59.565  178.780 3.1829 179.937 3.3538 -1.156799      4.623718  
1 1 1 -4  1   15 o 92.564  1.5502 423.053  14.163  400.413  17.128  472.014  25.188  90.042  1.9272 97.732  2.6110 -7.690239      3.245248  
1 1 1 -4  1   16 o 189.431 14.871 1865.33  275.821 0.0000   0.0000  1865.33  275.821 ?       ?      189.431 14.871 0.000000       14.87121  
1 1 1 -4  1   17 o 247.823 7.6875 3077.35  188.044 3117.56  266.046 3037.21  265.822 247.568 10.887 244.264 11.025 3.303879       15.49511  
1 1 1 -4  1   18 o 70.404  1.3670 244.782  9.4993  245.963  13.510  243.627  13.359  70.551  1.9401 70.216  1.9275 0.3351898      2.734844  
1 1 1 -4  1   19 o 67.416  1.3364 224.481  8.8928  223.356  12.197  225.758  12.993  67.223  1.8383 67.577  1.9479 -0.3542786     2.678402  
1 1 1 -4  1   20 o 44.978  1.6696 99.991   7.4124  107.506  10.265  91.805   10.714  46.610  2.2313 42.981  2.5368 3.629089       3.378509  
1 1 1 -4  1   21 o 91.232  1.8435 411.620  16.601  401.808  19.365  438.816  32.240  90.102  2.1775 93.951  3.4767 -3.849045      4.102289  
1 1 1 -4  2   1  f 32.183  0.6621 51.119   2.1032  53.653   2.9921  48.643   2.9571  32.970  0.9194 31.393  0.9543 1.577156       1.325161  
1 1 1 -4  2   2  o 70.181  0.9515 243.104  6.5909  229.017  10.030  253.808  8.7435  68.112  1.4920 71.707  1.2354 -3.594849      1.937026  
1 1 1 -4  2   3  o 97.148  1.5299 465.880  14.670  485.849  23.025  452.235  19.033  99.191  2.3518 95.706  2.0148 3.485413       3.096806  
1 1 1 -4  2   4  o 61.421  0.8622 186.195  5.2269  179.100  7.3498  193.455  7.4349  60.238  1.2362 62.606  1.2032 -2.367634      1.725031  
1 1 1 -4  2   5  o 267.526 3.4772 3534.86  91.818  3565.94  129.967 3503.88  129.736 268.597 4.9023 266.247 4.9368 2.350525       6.957277  
1 1 1 -4  2   6  o 273.135 4.2546 3685.61  114.702 3759.42  124.147 3255.13  299.807 275.835 4.5599 255.788 11.875 20.04665       12.72024  
1 1 1 -4  2   7  f 470.298 5.5815 10935.41 259.092 10754.74 352.921 11146.61 381.578 466.022 7.6725 474.332 8.1502 -8.310333      11.19344  
1 1 1 -4  2   8  o 314.377 4.3471 4883.84  134.890 4805.31  201.820 4947.24  181.345 311.584 6.5623 316.251 5.8095 -4.667633      8.764359  
1 1 1 -4  2   9  o 45.714  0.8741 103.139  3.9441  107.136  5.1090  97.243   6.2049  46.590  1.1110 44.386  1.4163 2.204456       1.800041  
1 1 1 -4  2   10 o 205.258 2.5035 2080.49  50.721  2080.89  71.709  2080.08  71.751  205.217 3.5402 205.177 3.5430 0.4019165E-01  5.008549  
1 1 1 -4  2   11 o 54.109  0.8265 144.504  4.4140  137.220  6.0976  152.523  6.3979  52.725  1.1717 55.588  1.1661 -2.862499      1.653035  
1 1 1 -4  2   12 f 29.369  1.3704 42.581   3.9725  47.083   5.7899  38.577   5.4605  30.820  1.9128 27.878  1.9977 2.941187       2.765734  
1 1 1 -4  2   13 o 138.917 1.8207 952.935  24.965  935.330  36.016  969.216  34.634  137.584 2.6522 140.063 2.5052 -2.479218      3.648317  
1 1 1 -4  2   14 o 120.565 9.2316 732.633  109.024 0.0000   0.0000  732.633  109.024 ?       ?      120.565 9.2316 0.000000       9.231615  
1 1 1 -4  2   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  2   16 o 139.318 2.5817 959.265  35.502  1033.77  125.538 952.789  37.013  143.252 8.9228 138.838 2.7009 4.414001       9.322641  
1 1 1 -4  2   17 o 127.959 1.7626 808.687  22.262  830.864  31.072  785.296  31.911  129.657 2.4279 126.040 2.5651 3.616257       3.531914  
1 1 1 -4  2   18 o 47.674  1.3720 112.236  6.4563  121.666  9.8641  105.169  8.5396  49.619  2.0141 46.137  1.8752 3.482510       2.751892  
1 1 1 -4  2   19 o 74.336  1.3560 272.919  9.9492  273.258  14.289  272.601  13.861  74.351  1.9471 74.265  1.8909 0.8598328E-01  2.714218  
1 1 1 -4  2   20 o 40.272  1.8928 80.194   7.5238  84.455   11.686  77.177   9.8327  41.175  2.8938 39.396  2.5422 1.779430       3.851907  
1 1 1 -4  2   21 o 43.662  1.8794 94.281   8.0993  86.453   11.832  101.184  11.111  41.651  2.8960 45.126  2.5043 -3.475697      3.828627  
1 1 1 -4  3   1  o 121.206 1.5636 725.241  18.707  693.946  26.415  756.728  26.496  118.543 2.2575 123.792 2.1685 -5.249191      3.130289  
1 1 1 -4  3   2  o 136.853 1.9825 924.709  26.779  910.789  37.889  938.605  37.855  135.787 2.8269 137.847 2.7822 -2.059830      3.966389  
1 1 1 -4  3   3  o 218.995 2.8992 2368.85  62.668  2347.16  88.616  2390.56  88.637  217.897 4.1203 219.906 4.0836 -2.008652      5.801089  
1 1 1 -4  3   4  o 232.423 3.2442 2668.18  74.426  2697.40  111.702 2644.85  99.807  233.576 4.8451 231.329 4.3712 2.247269       6.525498  
1 1 1 -4  3   5  o 292.492 3.7926 4226.05  109.494 4243.31  154.850 4208.78  154.844 292.955 5.3552 291.758 5.3770 1.196716       7.588847  
1 1 1 -4  3   6  o 269.947 3.4397 3598.84  91.650  3470.93  139.803 3695.25  121.369 264.976 5.3454 273.472 4.4964 -8.495728      6.985003  
1 1 1 -4  3   7  o 344.659 4.3829 5869.14  149.102 5864.25  232.742 5872.55  194.182 344.233 6.8500 344.622 5.7086 -0.3891602     8.916874  
1 1 1 -4  3   8  o 161.469 2.1134 1287.07  33.683  1258.49  47.614  1315.71  47.655  159.642 3.0217 163.232 2.9578 -3.590515      4.228403  
1 1 1 -4  3   9  o 136.706 1.8195 922.535  24.551  945.715  33.026  893.901  36.706  138.400 2.4176 134.546 2.7640 3.853531       3.672085  
1 1 1 -4  3   10 o 220.648 2.7954 2404.47  60.881  2422.76  82.413  2382.50  90.327  221.419 3.7709 219.540 4.1684 1.879822       5.620979  
1 1 1 -4  3   11 o 155.333 2.0569 1191.39  31.537  1156.24  47.083  1220.00  42.472  152.974 3.1183 157.156 2.7380 -4.182159      4.149762  
1 1 1 -4  3   12 o 64.898  6.1025 210.841  38.632  221.740  54.669  199.971  54.598  66.131  8.5775 62.639  9.0968 3.492393       12.50298  
1 1 1 -4  3   13 o 211.942 10.459 2258.97  218.792 2368.65  309.487 2149.39  309.349 214.643 14.697 203.977 15.481 10.66586       21.34562  
1 1 1 -4  3   14 o 173.632 2.2171 1489.23  37.997  1475.65  53.022  1503.56  54.480  172.763 3.1094 174.383 3.1652 -1.620117      4.436947  
1 1 1 -4  3   15 o 148.926 1.9840 1095.42  29.163  1064.46  42.147  1123.86  40.396  146.741 2.9099 150.796 2.7140 -4.055450      3.979127  
1 1 1 -4  3   16 o 62.141  1.3006 190.640  7.9771  185.580  11.068  196.111  11.508  61.300  1.8292 63.014  1.8502 -1.714832      2.601777  
1 1 1 -4  3   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  3   18 o 10.732  4.0326 4.1869   5.7941  4.6213   8.0756  3.7260   8.3180  12.157  4.7128 11.936  4.7360 0.2208214      6.681301  
1 1 1 -4  3   19 o 50.861  1.4271 127.771  7.1641  134.334  10.929  122.826  9.4863  52.125  2.1243 49.850  1.9279 2.274612       2.868726  
1 1 1 -4  3   20 o 97.825  1.5608 472.889  15.070  478.968  21.285  466.780  21.340  98.391  2.1917 97.127  2.2260 1.263824       3.123899  
1 1 1 -4  3   21 o 32.097  2.1742 51.219   6.8476  56.634   10.462  47.161   9.0571  33.625  3.1904 30.682  3.0303 2.943228       4.400205  
1 1 1 -4  3   22 o 24.150  3.1551 29.463   7.3410  28.922   9.7462  30.173   11.160  23.697  4.3262 24.114  4.8569 -0.4161415     6.504281  
1 1 1 -4  4   1  o 105.568 1.4687 550.138  15.304  541.773  21.685  558.439  21.602  104.750 2.0974 106.350 2.0579 -1.599922      2.938354  
1 1 1 -4  4   2  o 108.873 1.5181 585.127  16.314  572.149  23.064  598.124  23.080  107.646 2.1707 110.063 2.1245 -2.417503      3.037341  
1 1 1 -4  4   3  o 114.495 1.6568 647.120  18.724  623.948  26.498  670.231  26.462  112.412 2.3882 116.508 2.3011 -4.096756      3.316354  
1 1 1 -4  4   4  o 236.969 3.1073 2773.27  72.679  2758.15  102.795 2788.40  102.773 236.237 4.4085 237.531 4.3836 -1.293762      6.216938  
1 1 1 -4  4   5  o 385.454 5.3912 7345.99  205.113 7392.60  290.075 7299.39  290.072 386.322 7.6072 383.870 7.6558 2.452271       10.79264  
1 1 1 -4  4   6  o 104.802 1.4649 542.119  15.154  552.169  21.456  532.117  21.405  105.762 2.0553 103.823 2.0888 1.938553       2.930403  
1 1 1 -4  4   7  o 256.760 4.3555 3257.31  110.382 3381.40  276.106 3233.70  120.424 260.847 10.724 255.799 4.7696 5.047806       11.73685  
1 1 1 -4  4   8  o 195.474 2.7036 1886.65  52.163  1883.22  78.290  1889.38  69.951  195.237 4.0627 195.578 3.6236 -0.3409119     5.443880  
1 1 1 -4  4   9  o 191.227 2.3795 1805.45  44.912  1789.46  63.494  1821.47  63.537  190.338 3.3797 192.034 3.3521 -1.695969      4.760108  
1 1 1 -4  4   10 o 183.694 6.9050 1672.73  125.197 1658.04  176.988 1687.44  177.124 182.203 9.8782 183.833 9.7969 -1.630234      13.91256  
1 1 1 -4  4   11 o 47.301  6.3039 112.880  28.698  102.143  40.754  123.442  40.420  44.413  9.5781 49.084  8.6596 -4.670547      12.91235  
1 1 1 -4  4   12 o 67.177  2.0971 222.860  13.905  183.424  56.496  225.403  14.347  59.761  9.9261 67.558  2.1515 -7.797115      10.15660  
1 1 1 -4  4   13 o 56.932  1.1445 159.998  6.4313  153.162  9.1627  166.636  9.0292  55.695  1.6668 58.095  1.5746 -2.399807      2.292933  
1 1 1 -4  4   14 o 88.408  1.3556 385.868  11.829  368.558  17.354  400.891  16.167  86.384  2.0353 90.100  1.8179 -3.716644      2.728989  
1 1 1 -4  4   15 o 106.637 1.5120 561.460  15.914  547.059  22.387  576.172  22.628  105.235 2.1553 108.001 2.1227 -2.765404      3.025028  
1 1 1 -4  4   16 o 170.934 2.2728 1443.60  38.347  1403.10  51.658  1493.31  57.231  168.438 3.1072 173.740 3.3373 -5.302490      4.559851  
1 1 1 -4  4   17 o 295.372 3.9338 4321.94  114.688 4208.17  162.090 4436.00  162.296 290.879 5.6456 298.706 5.5047 -7.827362      7.885072  
1 1 1 -4  4   18 f 56.619  2.0473 158.407  11.441  158.169  11.744  162.835  50.704  56.575  2.1031 55.978  9.5175 0.5970421      9.747089  
1 1 1 -4  4   19 o 60.005  1.6904 177.893  10.012  188.020  18.021  173.371  12.041  61.618  2.9630 59.221  2.0600 2.396847       3.608745  
1 1 1 -4  4   20 o 61.554  1.5085 187.210  9.1648  186.112  12.365  188.548  13.653  61.344  2.0421 61.730  2.2408 -0.3866882     3.031707  
1 1 1 -4  4   21 o 42.625  8.2047 96.137   33.267  97.601   56.660  95.367   41.096  42.005  12.636 41.903  10.063 0.1026611      16.15365  
1 1 1 -4  4   22 o 72.004  6.5271 265.307  45.884  266.816  65.244  263.830  64.541  70.811  9.5808 70.435  9.5281 0.3756943      13.51205  
1 1 1 -4  5   1  o 186.753 2.5489 1722.20  46.985  1739.56  66.396  1704.80  66.497  187.638 3.5850 185.752 3.6269 1.886276       5.099642  
1 1 1 -4  5   2  o 242.140 3.1610 2895.97  75.548  2843.79  106.775 2948.28  106.908 239.846 4.5103 244.219 4.4350 -4.373245      6.325518  
1 1 1 -4  5   3  o 271.679 3.2581 3645.57  87.369  3595.68  123.547 3695.48  123.570 269.703 4.6410 273.426 4.5787 -3.723236      6.519471  
1 1 1 -4  5   4  o 251.062 3.6893 3113.66  91.424  3115.74  129.296 3111.58  129.291 251.030 5.2183 250.862 5.2216 0.1678314      7.382079  
1 1 1 -4  5   5  o 111.741 1.3909 616.284  15.341  627.859  21.730  604.784  21.660  112.779 1.9521 110.687 1.9825 2.092278       2.782300  
1 1 1 -4  5   6  o 363.168 4.2518 6516.24  152.409 6543.37  215.570 6489.13  215.508 363.724 6.0046 362.211 6.0279 1.513794       8.508287  
1 1 1 -4  5   7  o 337.643 4.7501 5634.24  158.304 5603.15  223.882 5665.33  223.870 336.468 6.7413 338.335 6.7037 -1.867096      9.507079  
1 1 1 -4  5   8  f 88.554  3.1889 387.273  27.873  0.0000   0.0000  387.273  27.873  ?       ?      88.554  3.1889 0.000000       3.188898  
1 1 1 -4  5   9  o 125.992 6.3592 787.837  78.827  781.399  110.544 794.497  112.438 125.121 9.0114 126.159 9.0904 -1.037277      12.79997  
1 1 1 -4  5   10 o 197.186 6.9553 1927.86  135.371 2061.47  191.592 1794.66  191.294 203.488 9.5391 189.465 10.267 14.02365       14.01482  
1 1 1 -4  5   11 o 193.650 2.4160 1852.05  46.180  1848.31  65.224  1855.81  65.392  193.385 3.4171 193.777 3.4189 -0.3917389     4.833784  
1 1 1 -4  5   12 o 133.776 1.7058 883.593  22.523  867.330  31.791  899.984  31.916  132.508 2.4307 134.981 2.3955 -2.473068      3.412696  
1 1 1 -4  5   13 o 209.325 2.9116 2165.74  60.156  2147.50  89.894  2180.53  80.954  208.242 4.3735 209.910 3.9073 -1.667877      5.864652  
1 1 1 -4  5   14 o 78.119  1.2344 301.259  9.5176  297.541  13.517  304.916  13.404  77.623  1.7642 78.580  1.7282 -0.9571381     2.469605  
1 1 1 -4  5   15 o 127.279 1.7025 799.974  21.388  809.743  30.228  790.179  30.268  128.016 2.3922 126.458 2.4249 1.558037       3.406339  
1 1 1 -4  5   16 o 321.074 3.9800 5105.49  126.130 5080.73  185.993 5126.57  171.621 319.628 5.8955 321.259 5.4123 -1.631622      8.003092  
1 1 1 -4  5   17 o 128.900 1.9244 820.743  24.485  809.683  32.790  834.682  36.811  127.981 2.5957 129.917 2.8706 -1.936531      3.870184  
1 1 1 -4  5   18 o 183.937 2.3697 1672.47  43.022  1647.96  60.741  1697.16  60.945  182.430 3.3733 185.139 3.3351 -2.709915      4.743621  
1 1 1 -4  5   19 o 70.062  1.7148 242.524  11.859  242.539  14.351  242.492  21.057  70.046  2.0757 69.972  3.0488 0.7340240E-01  3.688316  
1 1 1 -4  5   20 o 50.455  13.628 142.244  69.467  0.0000   0.0000  142.244  69.467  ?       ?      50.455  13.628 0.000000       13.62800  
1 1 1 -4  5   21 o 101.492 3.1828 511.553  31.884  511.553  31.884  0.0000   0.0000  101.492 3.1828 ?       ?      0.000000       3.182751  
1 1 1 -4  5   22 o 122.099 1.9091 737.604  23.007  729.332  31.495  747.068  33.690  121.276 2.6311 122.707 2.7816 -1.431419      3.828847  
1 1 1 -4  6   1  o 47.772  0.8480 112.634  3.9985  108.159  4.8756  121.827  6.9880  46.812  1.0552 49.681  1.4251 -2.868301      1.773193  
1 1 1 -4  6   2  o 121.925 1.6720 733.799  20.122  747.874  28.399  719.610  28.514  123.078 2.3377 120.729 2.3928 2.349182       3.345241  
1 1 1 -4  6   3  o 147.191 1.8210 1069.46  26.456  1060.59  37.403  1078.34  37.426  146.563 2.5856 147.785 2.5657 -1.221939      3.642508  
1 1 1 -4  6   4  o 127.806 1.6179 806.263  20.409  777.849  28.813  834.874  28.913  125.522 2.3256 130.043 2.2526 -4.521172      3.237676  
1 1 1 -4  6   5  o 344.537 4.0551 5864.39  137.903 5774.51  195.008 5954.30  195.040 341.705 5.7819 346.995 5.6947 -5.289642      8.115360  
1 1 1 -4  6   6  o 155.449 1.9586 1192.84  30.052  1212.83  42.514  1172.88  42.487  156.727 2.7482 154.123 2.7929 2.604065       3.918268  
1 1 1 -4  6   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  6   8  o 166.327 6.2820 1369.03  103.132 1228.92  145.726 1509.62  145.975 157.037 9.4455 174.463 8.4770 -17.42606      12.69162  
1 1 1 -4  6   9  o 88.936  6.1556 393.420  53.703  399.160  75.352  387.494  76.558  89.247  8.6631 87.875  8.9515 1.372047       12.45703  
1 1 1 -4  6   10 o 168.094 2.1144 1395.10  35.081  1433.57  49.553  1356.45  49.671  170.359 2.9469 165.709 3.0369 4.650421       4.231656  
1 1 1 -4  6   11 o 156.351 2.3283 1207.28  35.931  1220.74  54.120  1196.67  48.048  157.151 3.4891 155.619 3.1281 1.532639       4.686016  
1 1 1 -4  6   12 f 162.916 2.0715 1310.78  33.310  1312.01  47.105  1309.56  47.110  162.937 2.9290 162.784 2.9320 0.1524506      4.144344  
1 1 1 -4  6   13 o 99.797  1.5811 491.746  15.574  494.396  21.949  489.059  22.102  100.043 2.2227 99.500  2.2505 0.5426102      3.163081  
1 1 1 -4  6   14 o 73.050  1.2300 263.438  8.8685  271.186  12.605  255.842  12.480  74.106  1.7233 71.978  1.7566 2.127869       2.460780  
1 1 1 -4  6   15 o 139.068 1.8084 955.130  24.823  947.923  35.070  962.365  35.141  138.493 2.5655 139.545 2.5513 -1.052109      3.618190  
1 1 1 -4  6   16 o 68.438  1.3554 231.248  9.1560  214.473  12.559  250.278  13.377  65.894  1.9310 71.184  1.9039 -5.289070      2.711708  
1 1 1 -4  6   17 o 73.588  1.4592 267.391  10.599  280.047  15.083  255.046  14.897  75.290  2.0296 71.848  2.1006 3.441887       2.920958  
1 1 1 -4  6   18 o 83.828  6.4409 353.077  52.886  360.468  75.031  345.779  74.555  83.946  9.2064 82.150  9.3619 1.796692       13.13026  
1 1 1 -4  6   19 o 50.361  6.8453 129.606  33.145  135.177  47.184  124.179  46.570  50.633  9.7953 48.406  10.075 2.227352       14.05175  
1 1 1 -4  6   20 o 15.031  4.4336 11.435   7.0276  14.990   9.9920  7.9547   9.8859  17.305  5.3273 14.269  5.2859 3.036325       7.504715  
1 1 1 -4  6   21 o 40.228  2.1165 80.310   8.3742  82.117   11.976  78.582   11.714  40.565  3.0127 39.677  3.0136 0.8877182      4.261194  
1 1 1 -4  6   22 o 99.901  1.7469 493.602  17.226  482.854  24.005  505.010  24.732  98.703  2.4640 100.938 2.4824 -2.235886      3.497691  
1 1 1 -4  7   1  f 316.001 4.5116 4934.53  140.720 4911.40  199.015 4957.65  199.002 315.052 6.3999 316.536 6.3694 -1.483978      9.029287  
1 1 1 -4  7   2  o 211.733 3.0152 2213.79  63.015  2184.66  84.366  2250.55  94.774  210.285 4.0647 213.407 4.4993 -3.121735      6.063422  
1 1 1 -4  7   3  o 25.927  0.8811 33.176   2.2548  29.224   3.2556  36.820   3.1260  24.295  1.3632 27.313  1.1595 -3.018631      1.789619  
1 1 1 -4  7   4  o 237.777 2.8925 2791.75  67.885  2785.40  96.010  2798.10  95.999  237.443 4.0966 237.984 4.0868 -0.5414429     5.786557  
1 1 1 -4  7   5  o 349.568 9.0657 6062.70  312.799 6047.44  442.395 6077.96  442.334 348.194 12.872 349.081 12.838 -0.8872681     18.17979  
1 1 1 -4  7   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  7   7  o 320.714 6.5845 5091.88  208.436 5259.89  265.466 4821.79  336.575 325.675 8.2583 311.246 10.956 14.42880       13.71967  
1 1 1 -4  7   8  o 114.571 1.9622 648.011  22.190  653.468  31.390  642.560  31.372  115.036 2.7645 114.071 2.7864 0.9646835      3.925125  
1 1 1 -4  7   9  o 264.945 3.3265 3467.71  86.990  3535.02  128.584 3410.91  118.126 267.352 4.8727 262.652 4.5565 4.700165       6.671204  
1 1 1 -4  7   10 o 176.745 3.2221 1543.47  56.211  1553.22  59.672  1466.71  167.479 177.290 3.4100 171.170 9.9559 6.119598       10.52368  
1 1 1 -4  7   11 o 86.845  1.2953 372.301  11.103  363.521  15.819  380.826  15.588  85.804  1.8678 87.824  1.7982 -2.020103      2.592768  
1 1 1 -4  7   12 o 235.967 2.8936 2751.80  67.395  2732.27  95.315  2771.33  95.308  234.960 4.1099 236.638 4.0805 -1.678253      5.791521  
1 1 1 -4  7   13 o 130.234 1.7253 837.532  22.178  808.913  30.994  867.561  31.748  127.951 2.4541 132.510 2.4274 -4.558899      3.451779  
1 1 1 -4  7   14 o 167.677 2.2564 1389.04  37.343  1416.69  50.648  1356.11  55.278  169.265 3.0316 165.567 3.3826 3.697922       4.542248  
1 1 1 -4  7   15 o 194.139 2.6851 1863.05  51.452  1924.69  72.774  1801.45  72.755  197.175 3.7393 190.738 3.8645 6.436996       5.377437  
1 1 1 -4  7   16 o 49.348  1.6375 120.260  7.9758  138.546  15.128  113.221  9.3862  52.851  2.9112 47.875  1.9863 4.976170       3.524289  
1 1 1 -4  7   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  7   18 o 80.498  1.4860 320.016  11.807  317.416  16.447  322.781  16.961  80.145  2.0792 80.817  2.1262 -0.6720276     2.973832  
1 1 1 -4  7   19 o 35.122  1.3742 60.922   4.7640  63.417   5.3060  50.550   10.820  35.831  1.5003 31.737  3.5131 4.094299       3.820064  
1 1 1 -4  7   20 o 18.836  4.9846 18.362   9.4115  16.527   10.127  29.994   25.498  18.028  5.3234 25.072  8.5719 -7.044220      10.09039  
1 1 1 -4  7   21 o 137.510 2.1054 935.877  28.576  927.433  41.798  943.287  39.156  136.660 3.0988 137.882 2.8771 -1.221985      4.228490  
1 1 1 -4  7   22 o 69.253  1.8886 237.307  12.910  242.052  16.515  229.851  20.700  69.888  2.3941 68.011  3.0836 1.877014       3.903904  
1 1 1 -4  7   23 o 45.302  2.1245 101.673  9.4995  98.053   13.444  105.282  13.425  44.287  3.0949 45.919  2.9780 -1.632298      4.295019  
1 1 1 -4  8   1  o 113.970 1.6508 641.148  18.571  672.193  26.345  610.489  26.181  116.687 2.2874 111.201 2.3853 5.486206       3.304849  
1 1 1 -4  8   2  o 55.281  1.0227 150.830  5.5803  162.762  7.8989  138.942  7.8845  57.425  1.3936 53.056  1.5056 4.368809       2.051565  
1 1 1 -4  8   3  o 319.020 8.5989 5047.26  270.765 5014.69  382.851 5079.84  382.987 317.203 12.228 319.276 12.153 -2.073059      17.24018  
1 1 1 -4  8   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  8   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  8   6  o 55.590  1.3777 152.533  7.5595  157.323  10.634  147.640  10.748  56.453  1.9085 54.688  1.9912 1.765457       2.758089  
1 1 1 -4  8   7  o 114.564 1.5902 647.854  17.982  680.749  24.478  609.291  26.502  117.429 2.1118 111.089 2.4170 6.339363       3.209654  
1 1 1 -4  8   8  o 144.690 1.9109 1033.51  27.291  1036.12  38.544  1030.87  38.647  144.850 2.6959 144.482 2.7100 0.3679962      3.822548  
1 1 1 -4  8   9  o 47.222  1.4181 110.074  6.6097  140.048  13.795  101.143  7.5303  53.252  2.6246 45.264  1.6855 7.987946       3.119188  
1 1 1 -4  8   10 o 91.264  1.3917 411.154  12.536  375.839  17.390  449.366  18.089  87.245  2.0194 95.400  1.9210 -8.155388      2.787166  
1 1 1 -4  8   11 o 137.148 1.8501 928.771  25.045  922.813  35.314  934.801  35.524  136.672 2.6178 137.557 2.6164 -0.8849640     3.701187  
1 1 1 -4  8   12 o 141.181 2.2641 984.596  31.550  990.869  42.087  976.548  47.670  141.580 3.0117 140.518 3.4370 1.061584       4.569807  
1 1 1 -4  8   13 o 133.974 1.8870 886.465  24.954  865.995  36.791  903.906  33.959  132.359 2.8161 135.245 2.5439 -2.886368      3.794978  
1 1 1 -4  8   14 o 82.569  1.3572 336.602  11.061  338.436  15.759  334.822  15.528  82.777  1.9288 82.334  1.9107 0.4424896      2.715005  
1 1 1 -4  8   15 o 107.842 6.3327 581.277  67.112  574.217  93.861  588.663  95.997  106.500 9.0136 107.812 9.1062 -1.312233      12.81280  
1 1 1 -4  8   16 o 60.637  6.2569 185.116  36.910  214.782  52.124  155.277  52.274  64.909  8.3278 54.601  10.071 10.30832       13.06789  
1 1 1 -4  8   17 o 162.320 2.2588 1302.13  36.190  1329.73  51.160  1274.50  51.200  163.921 3.1620 160.471 3.2325 3.450317       4.521866  
1 1 1 -4  8   18 o 147.983 2.1260 1082.32  31.053  1090.50  45.635  1075.26  42.377  148.419 3.1151 147.407 2.9126 1.012390       4.264618  
1 1 1 -4  8   19 o 10.560  1.8370 5.6707   1.8452  11.133   10.195  5.4857   1.8762  15.687  5.4177 10.373  1.9026 5.314016       5.742109  
1 1 1 -4  8   20 o 43.223  1.9645 92.387   8.3812  94.072   11.870  90.711   11.836  43.484  2.7802 42.691  2.8248 0.7929268      3.963421  
1 1 1 -4  8   21 o 48.085  1.5771 114.300  7.4850  119.628  13.504  111.937  8.9928  49.026  2.8023 47.566  1.9154 1.459564       3.394349  
1 1 1 -4  8   22 o 52.114  1.9085 134.402  9.8170  132.107  14.022  136.609  13.749  51.516  2.7677 52.405  2.6669 -0.8888321     3.843492  
1 1 1 -4  8   23 o 74.906  1.7971 277.698  13.287  248.639  18.168  311.113  19.483  70.770  2.6010 79.182  2.4928 -8.412163      3.602655  
1 1 1 -4  9   1  o 309.194 8.4624 4742.40  258.262 4753.38  365.207 4731.42  365.268 308.758 11.984 308.036 12.014 0.7218018      16.96868  
1 1 1 -4  9   2  o 222.317 10.313 2457.86  226.305 2367.41  319.936 2548.43  320.150 216.768 15.046 225.104 14.486 -8.335938      20.88635  
1 1 1 -4  9   3  o 245.732 10.767 3005.18  261.159 2977.59  369.313 3032.77  369.355 243.058 15.475 245.356 15.328 -2.298370      21.78114  
1 1 1 -4  9   4  o 247.335 3.0102 3021.12  73.488  2963.29  103.914 3078.98  103.941 244.871 4.2993 249.612 4.2188 -4.740494      6.023516  
1 1 1 -4  9   5  o 274.746 3.3673 3728.21  91.317  3731.83  126.334 3724.24  132.145 274.783 4.6580 274.483 4.8775 0.2991943      6.744422  
1 1 1 -4  9   6  o 58.265  1.1275 167.556  6.4844  165.826  9.1709  169.286  9.1697  57.960  1.6030 58.562  1.5864 -0.6015434     2.255302  
1 1 1 -4  9   7  o 440.533 5.4973 9602.85  239.034 9625.74  338.079 9579.98  338.012 440.480 7.7760 439.427 7.7931 1.053467       11.00908  
1 1 1 -4  9   8  f 196.744 2.6658 1911.66  51.769  1958.46  73.159  1864.73  73.264  199.071 3.7233 194.242 3.8213 4.828720       5.335319  
1 1 1 -4  9   9  o 85.567  1.3696 361.419  11.567  347.566  16.069  376.318  16.665  83.902  1.9404 87.303  1.9339 -3.401443      2.739536  
1 1 1 -4  9   10 o 53.600  1.2002 141.817  6.3497  131.529  8.6849  153.632  9.3069  51.614  1.7048 55.783  1.6903 -4.168774      2.400711  
1 1 1 -4  9   11 o 202.884 3.4020 2035.39  68.125  2331.80  201.859 1997.29  72.372  215.734 9.4797 200.947 3.6488 14.78740       10.15773  
1 1 1 -4  9   12 o 23.982  0.7511 28.387   1.7779  28.557   2.5114  28.216   2.5172  24.052  1.0578 23.908  1.0667 0.1440792      1.502258  
1 1 1 -4  9   13 o 142.882 2.4495 1008.85  34.545  998.764  41.664  1031.04  61.791  142.122 2.9701 144.243 4.3401 -2.120682      5.259040  
1 1 1 -4  9   14 o 227.820 7.4208 2594.28  166.870 2486.63  236.746 2700.57  235.241 221.465 10.830 231.082 10.314 -9.616653      14.95557  
1 1 1 -4  9   15 o 211.927 4.1521 2225.97  86.854  2204.85  122.798 2247.11  122.862 210.462 5.9113 212.486 5.8581 -2.023773      8.322291  
1 1 1 -4  9   16 o 17.403  1.2344 15.029   2.1066  20.931   2.9888  9.2016   2.9698  20.535  1.4846 13.455  2.3200 7.080146       2.754368  
1 1 1 -4  9   17 o 74.098  1.5356 271.154  11.231  283.219  16.343  260.358  15.459  75.702  2.1872 72.584  2.1578 3.118263       3.072467  
1 1 1 -4  9   18 o 54.700  1.7270 147.815  9.3242  149.307  13.090  146.279  13.285  54.950  2.4135 54.387  2.4747 0.5628777      3.456782  
1 1 1 -4  9   19 o 10.808  2.4683 6.0114   2.5754  5.2596   2.6520  18.476   10.798  10.122  2.6304 19.013  5.4640 -8.890873      6.064155  
1 1 1 -4  9   20 o 154.881 2.2824 1187.24  34.892  1184.55  49.071  1189.99  49.622  154.488 3.2181 154.834 3.2470 -0.3463135     4.571526  
1 1 1 -4  9   21 o 79.120  2.2729 310.060  17.750  0.0000   0.0000  310.060  17.750  ?       ?      79.120  2.2729 0.000000       2.272911  
1 1 1 -4  9   22 o 25.582  1.7388 32.523   4.3643  31.573   4.4969  47.930   18.110  25.195  1.8205 30.170  6.2856 -4.975225      6.543913  
1 1 1 -4  9   23 f 76.651  6.5958 303.417  49.416  293.965  70.070  312.770  69.700  73.469  9.9160 76.103  9.4848 -2.634598      13.72180  
1 1 1 -4  10  1  o 149.240 2.6383 1099.82  38.864  1035.69  55.041  1163.58  54.883  144.776 3.8517 153.465 3.6232 -8.689514      5.288047  
1 1 1 -4  10  2  o 351.146 4.7118 6096.38  163.307 6005.80  242.971 6171.02  220.555 348.130 7.0710 353.030 6.3295 -4.899994      9.490084  
1 1 1 -4  10  3  f 196.286 2.6865 1902.57  52.049  1874.30  73.634  1930.81  73.582  194.762 3.8304 197.680 3.7712 -2.917938      5.375276  
1 1 1 -4  10  4  o 104.659 1.6152 540.694  16.685  509.691  23.516  572.122  23.677  101.602 2.3450 107.647 2.2284 -6.045212      3.234883  
1 1 1 -4  10  5  o 242.270 3.1892 2899.28  76.264  2972.28  107.932 2826.50  107.775 245.196 4.4597 239.097 4.5668 6.098526       6.383109  
1 1 1 -4  10  6  o 131.751 1.9226 856.959  25.002  836.174  35.411  877.619  35.305  130.119 2.7572 133.307 2.6832 -3.188217      3.847249  
1 1 1 -4  10  7  o 85.983  1.4063 364.935  11.935  366.382  16.903  363.495  16.855  86.144  1.9879 85.804  1.9902 0.3400879      2.812927  
1 1 1 -4  10  8  o 129.319 2.1062 825.769  26.884  809.959  38.027  841.568  38.013  128.040 3.0090 130.517 2.9508 -2.477158      4.214352  
1 1 1 -4  10  9  o 133.548 2.1534 880.764  28.386  876.875  40.150  884.652  40.137  133.210 3.0536 133.800 3.0392 -0.5902405     4.308277  
1 1 1 -4  10  10 o 76.142  1.4132 286.216  10.621  273.651  15.021  298.777  15.019  74.439  2.0444 77.783  1.9562 -3.344627      2.829547  
1 1 1 -4  10  11 o 245.492 3.4088 2980.81  82.597  2996.43  116.870 2965.23  116.750 245.865 4.8159 244.577 4.8363 1.287964       6.825107  
1 1 1 -4  10  12 o 206.562 10.202 2152.92  208.005 2261.97  294.320 2044.11  294.007 209.077 14.349 198.190 15.144 10.88692       20.86221  
1 1 1 -4  10  13 o 282.165 8.1508 3990.35  227.007 4081.07  321.214 3899.83  320.858 283.222 11.490 276.673 11.749 6.549103       16.43396  
1 1 1 -4  10  14 o 231.558 3.4587 2654.03  79.050  2664.42  111.790 2643.65  111.797 231.670 4.8888 230.760 4.9084 0.9101563      6.927648  
1 1 1 -4  10  15 o 60.576  1.2736 181.169  7.6152  194.354  10.400  165.930  11.181  62.731  1.6797 57.955  1.9546 4.775894       2.577144  
1 1 1 -4  10  16 o 157.071 2.2535 1219.31  34.937  1233.35  49.522  1205.39  49.294  157.862 3.1783 156.060 3.2001 1.802765       4.510232  
1 1 1 -4  10  17 o 95.658  1.6780 451.985  15.844  448.009  22.763  455.721  22.066  95.191  2.4227 96.014  2.3284 -0.8224792     3.360191  
1 1 1 -4  10  18 o 55.977  1.2661 154.731  6.9954  152.995  10.810  155.982  9.1754  55.640  1.9684 56.192  1.6543 -0.5520325     2.571275  
1 1 1 -4  10  19 f 135.245 2.0489 904.420  27.351  933.238  37.627  872.133  39.827  137.275 2.7770 132.659 3.0417 4.616104       4.118676  
1 1 1 -4  10  20 o 184.508 2.5735 1686.59  46.867  1706.17  63.984  1663.92  68.843  185.273 3.4989 182.843 3.8146 2.430511       5.176214  
1 1 1 -4  10  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  10  22 o 28.131  7.9173 42.323   22.912  44.056   32.176  40.541   32.635  29.110  9.6263 28.310  9.6975 0.8000374      13.66405  
1 1 1 -4  10  23 o 121.121 2.0218 726.856  24.171  736.655  34.505  717.414  33.870  121.693 2.8726 120.098 2.8572 1.594742       4.051651  
1 1 1 -4  11  1  o 190.411 3.2107 1791.30  60.343  2098.94  185.433 1754.86  63.817  205.308 9.1506 188.450 3.4309 16.85774       9.772598  
1 1 1 -4  11  2  o 153.061 2.5486 1156.98  38.503  1175.83  69.125  1148.51  46.362  154.189 4.5420 152.475 3.0805 1.713837       5.488100  
1 1 1 -4  11  3  o 202.386 2.8417 2023.13  56.766  2024.97  70.951  2019.87  94.627  202.430 3.5510 202.072 4.7443 0.3583527      5.926043  
1 1 1 -4  11  4  o 267.811 3.2388 3543.55  85.613  3545.13  121.037 3541.97  121.114 267.723 4.5804 267.603 4.5853 0.1200867      6.481122  
1 1 1 -4  11  5  o 295.858 3.6422 4326.17  106.361 4295.71  157.233 4351.87  144.417 294.555 5.4081 296.555 4.9338 -1.999329      7.320493  
1 1 1 -4  11  6  o 152.037 2.1595 1141.42  32.408  1127.41  45.885  1155.36  45.777  151.058 3.0775 152.922 3.0328 -1.863739      4.320747  
1 1 1 -4  11  7  o 87.010  1.3438 373.715  11.541  363.956  15.513  385.811  17.271  85.857  1.8305 88.394  1.9795 -2.537003      2.696125  
1 1 1 -4  11  8  o 275.733 3.6240 3759.38  98.630  3842.63  139.453 3676.05  139.514 278.513 5.0728 272.386 5.1892 6.127411       7.256783  
1 1 1 -4  11  9  o 38.125  1.0606 71.747   3.9910  73.390   5.5392  69.974   5.7552  38.556  1.4555 37.647  1.5488 0.9088783      2.125400  
1 1 1 -4  11  10 o 33.616  2.4504 56.128   8.0745  56.179   10.490  56.054   12.648  33.554  3.2065 33.427  3.9071 0.1267166      5.054423  
1 1 1 -4  11  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  11  12 o 196.582 4.3010 1915.51  83.455  2447.64  196.094 1797.81  92.223  220.596 9.0060 190.321 4.9093 30.27454       10.25720  
1 1 1 -4  11  13 o 183.245 7.0190 1677.70  126.953 1674.34  179.715 1681.04  179.363 181.637 10.063 182.021 10.022 -0.3842316     14.20258  
1 1 1 -4  11  14 o 35.397  1.0556 61.855   3.6882  61.785   4.6731  61.972   6.0061  35.374  1.3384 35.422  1.7178 -0.4807281E-01 2.177684  
1 1 1 -4  11  15 o 45.385  1.7873 101.746  8.0064  101.104  11.540  102.341  11.117  45.145  2.6009 45.431  2.4886 -0.2863464     3.599717  
1 1 1 -4  11  16 o 173.325 2.2598 1484.88  38.661  1506.12  54.747  1463.75  54.603  174.429 3.1799 171.952 3.2172 2.477219       4.523473  
1 1 1 -4  11  17 o 38.916  2.2695 75.122   8.6794  77.425   12.239  72.792   12.310  39.416  3.1728 38.195  3.2976 1.220810       4.576110  
1 1 1 -4  11  18 o 95.966  1.6996 455.013  16.099  471.556  22.773  438.486  22.761  97.643  2.3629 94.150  2.4493 3.493698       3.403298  
1 1 1 -4  11  19 o 50.820  1.4925 127.601  7.4864  126.227  8.9836  130.722  13.543  50.534  1.8011 51.306  2.6837 -0.7728386     3.232080  
1 1 1 -4  11  20 o 104.837 6.5042 558.838  66.972  547.540  94.152  570.409  95.284  102.134 9.4466 104.319 9.3532 -2.185417      13.29360  
1 1 1 -4  11  21 f 22.823  7.3779 26.308   18.947  0.0000   0.0000  26.308   18.947  ?       ?      22.823  7.3779 0.000000       7.377878  
1 1 1 -4  11  22 o 25.364  1.1502 31.788   2.8795  43.260   4.0817  20.422   4.0629  29.581  1.3980 20.199  2.0669 9.381495       2.495299  
1 1 1 -4  11  23 o 74.821  2.0531 277.474  15.162  279.040  21.509  275.927  21.376  74.870  2.9106 74.452  2.9089 0.4183121      4.115006  
1 1 1 -4  12  1  f 145.793 1.9713 1049.60  28.368  1049.55  42.061  1049.64  38.423  145.740 2.9239 145.762 2.6706 -0.2148438E-01 3.959992  
1 1 1 -4  12  2  o 57.313  1.5729 162.164  8.8978  95.100   50.148  164.344  9.0413  42.785  11.588 57.696  1.5876 -14.91110      11.69668  
1 1 1 -4  12  3  o 199.649 2.4428 1968.77  48.137  1940.45  68.046  1997.14  68.107  198.124 3.4796 201.001 3.4329 -2.877518      4.888001  
1 1 1 -4  12  4  o 216.282 2.9186 2311.31  62.306  2353.14  88.177  2269.59  88.051  218.105 4.0960 214.189 4.1649 3.915436       5.841521  
1 1 1 -4  12  5  o 52.559  1.3945 136.371  7.2345  139.192  10.069  133.361  10.401  53.093  1.9214 51.968  2.0278 1.125618       2.793479  
1 1 1 -4  12  6  o 61.486  1.2172 186.615  7.3871  198.239  11.037  177.182  9.9426  63.364  1.7647 59.905  1.6815 3.458454       2.437532  
1 1 1 -4  12  7  f 47.839  1.5245 112.988  7.1986  116.058  10.008  109.697  10.362  48.476  2.0916 47.127  2.2276 1.349506       3.055662  
1 1 1 -4  12  8  o 192.752 2.6699 1835.94  50.795  1840.70  71.734  1831.16  71.938  192.878 3.7680 192.375 3.7886 0.5030518      5.343302  
1 1 1 -4  12  9  o 100.391 9.0528 509.422  88.739  483.869  126.259 534.367  124.746 96.394  13.652 101.718 12.702 -5.324944      18.64709  
1 1 1 -4  12  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  12  11 o 95.212  1.4732 447.623  13.845  465.481  19.443  429.252  19.720  97.070  2.0293 93.210  2.1434 3.859360       2.951608  
1 1 1 -4  12  12 o 59.884  1.3995 177.072  8.2719  184.457  11.633  169.519  11.765  61.106  1.9287 58.577  2.0348 2.529655       2.803645  
1 1 1 -4  12  13 o 9.9284  1.0732 4.9233   1.0350  0.8257   1.7327  7.1962   1.2905  5.5041  2.1686 12.023  1.0996 -6.519047      2.431483  
1 1 1 -4  12  14 o 20.281  1.9138 20.501   3.7859  18.341   3.8118  177.728  32.524  19.158  2.0475 59.488  5.6052 -40.32967      5.967440  
1 1 1 -4  12  15 o 46.688  1.8029 107.682  8.3081  124.645  12.035  92.240   11.483  50.211  2.4284 43.100  2.7131 7.111538       3.641194  
1 1 1 -4  12  16 o 151.917 2.1708 1140.73  32.551  1146.57  46.064  1134.91  46.004  152.189 3.0665 151.411 3.0782 0.7774048      4.345016  
1 1 1 -4  12  17 o 144.811 2.1362 1036.65  30.534  1044.70  41.905  1027.53  44.581  145.268 2.9226 144.035 3.1358 1.232574       4.286565  
1 1 1 -4  12  18 o 71.409  1.6535 251.954  11.655  251.801  15.704  252.141  17.389  71.353  2.2298 71.384  2.4679 -0.3102875E-01 3.326076  
1 1 1 -4  12  19 o 113.125 6.5472 648.210  72.792  655.815  102.612 640.507  103.279 112.323 9.3401 110.883 9.5291 1.440063       13.34323  
1 1 1 -4  12  20 o 94.676  1.7908 443.355  16.735  477.707  23.501  408.019  23.835  98.185  2.4250 90.703  2.6623 7.481705       3.601178  
1 1 1 -4  12  21 o 29.236  1.5685 42.394   4.5097  34.375   17.637  42.955   4.6648  25.445  6.8643 29.426  1.6122 -3.980385      7.051116  
1 1 1 -4  12  22 o 34.912  3.1409 61.197   10.708  77.307   16.059  48.302   14.368  39.027  4.2369 30.571  4.9290 8.455351       6.499782  
1 1 1 -4  12  23 o 66.228  1.7559 217.199  11.478  238.484  59.723  216.383  11.696  65.882  9.4551 66.099  1.7927 -0.2164612     9.623579  
1 1 1 -4  13  1  o 89.373  1.3880 394.348  12.244  384.884  17.840  402.775  16.835  88.275  2.0475 90.309  1.8887 -2.033798      2.785536  
1 1 1 -4  13  2  o 67.187  1.2459 222.845  8.2621  223.299  11.814  222.410  11.559  67.246  1.7799 67.112  1.7450 0.1331863      2.492564  
1 1 1 -4  13  3  o 222.891 4.6290 2461.36  101.839 2427.95  227.826 2469.70  113.846 219.610 10.510 223.161 5.1685 -3.551239      11.71241  
1 1 1 -4  13  4  o 70.395  1.2974 244.633  9.0143  235.253  12.601  254.464  12.901  69.021  1.8496 71.784  1.8208 -2.763489      2.595434  
1 1 1 -4  13  5  o 116.053 1.6717 665.034  19.149  684.243  26.051  642.456  28.244  117.693 2.2426 114.029 2.5094 3.663826       3.365459  
1 1 1 -4  13  6  o 125.604 1.9744 779.179  24.478  766.395  36.529  789.599  32.978  124.509 2.9724 126.403 2.6432 -1.893471      3.977614  
1 1 1 -4  13  7  o 87.692  14.379 404.487  120.142 404.487  120.142 0.0000   0.0000  87.692  14.379 ?       ?      0.000000       14.37892  
1 1 1 -4  13  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  13  9  f 45.486  1.2042 102.141  5.4064  100.008  7.4385  104.529  7.8716  45.001  1.6747 46.006  1.7335 -1.004681      2.410284  
1 1 1 -4  13  10 o 48.437  1.4954 115.850  7.1493  122.721  9.8128  108.077  10.437  49.841  1.9947 46.766  2.2611 3.074795       3.015167  
1 1 1 -4  13  11 o 68.775  1.3410 233.546  9.1032  207.539  12.822  259.979  12.927  64.813  2.0042 72.548  1.8052 -7.734978      2.697341  
1 1 1 -4  13  12 o 102.308 1.6094 516.939  16.252  506.737  22.746  527.578  23.228  101.257 2.2759 103.318 2.2778 -2.061134      3.219918  
1 1 1 -4  13  13 o 89.932  1.5522 399.429  13.778  395.076  19.646  403.642  19.328  89.407  2.2262 90.375  2.1667 -0.9674911     3.106554  
1 1 1 -4  13  14 o 82.159  1.4626 333.352  11.861  329.494  16.612  337.363  16.939  81.656  2.0611 82.624  2.0771 -0.9684067     2.926185  
1 1 1 -4  13  15 o 70.060  1.6143 242.448  11.163  236.244  15.973  248.372  15.608  69.125  2.3411 70.883  2.2308 -1.758011      3.233812  
1 1 1 -4  13  16 o 67.433  1.5335 224.602  10.207  221.249  16.010  226.898  13.249  66.885  2.4250 67.758  1.9810 -0.8722305     3.131295  
1 1 1 -4  13  17 o 48.355  7.3817 120.441  34.114  117.205  49.428  123.385  47.143  46.743  10.912 48.155  10.234 -1.411480      14.95998  
1 1 1 -4  13  18 o 45.355  7.4393 106.721  32.148  151.785  46.695  66.112   44.327  53.727  9.1323 35.574  11.262 18.15228       14.49959  
1 1 1 -4  13  19 o 71.555  2.0020 253.303  14.140  268.872  20.654  239.570  19.398  73.630  2.8420 69.504  2.8276 4.126228       4.009026  
1 1 1 -4  13  20 o 22.606  1.5483 25.384   3.4338  26.091   3.5955  18.053   11.578  22.915  1.5997 18.821  5.7236 4.093908       5.942939  
1 1 1 -4  13  21 o 60.110  1.5238 178.709  9.0410  199.277  12.900  158.856  12.674  63.418  2.0609 56.598  2.2687 6.819706       3.065054  
1 1 1 -4  13  22 o 36.057  3.2300 65.355   11.373  68.277   17.244  63.106   15.131  36.437  4.9206 35.135  4.4639 1.302479       6.643692  
1 1 1 -4  13  23 o 42.999  3.3782 93.037   14.222  88.331   17.460  102.314  24.515  41.638  4.3109 44.344  5.7354 -2.706284      7.174821  
1 1 1 -4  14  1  o 34.936  1.6298 60.271   5.6200  60.170   7.8939  60.376   8.0031  34.819  2.3100 34.876  2.3384 -0.5733490E-01 3.286974  
1 1 1 -4  14  2  o 166.665 2.1972 1372.39  36.146  1411.13  49.030  1326.26  53.497  168.927 2.9406 163.725 3.3104 5.202255       4.427833  
1 1 1 -4  14  3  f 76.134  1.2768 286.171  9.5945  270.528  13.410  302.573  13.733  74.010  1.8358 78.272  1.7775 -4.262611      2.555325  
1 1 1 -4  14  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  14  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  14  6  o 218.305 10.439 2413.10  224.924 2406.52  317.971 2419.69  318.210 214.613 15.107 215.227 15.074 -0.6142426     21.34135  
1 1 1 -4  14  7  o 106.123 2.2946 556.527  24.036  566.296  32.129  544.112  36.221  106.997 3.0422 104.842 3.5002 2.155495       4.637476  
1 1 1 -4  14  8  o 86.507  1.4709 369.526  12.559  369.016  17.840  370.028  17.685  86.422  2.0914 86.541  2.0704 -0.1194229     2.942816  
1 1 1 -4  14  9  o 73.832  1.3497 269.156  9.8358  254.940  13.521  285.133  14.334  71.838  1.9069 75.973  1.9116 -4.134804      2.700051  
1 1 1 -4  14  10 o 201.923 2.7781 2016.62  55.369  2018.64  78.382  2014.61  78.226  201.803 3.9351 201.603 3.9311 0.2003632      5.562284  
1 1 1 -4  14  11 o 94.405  1.5225 440.135  14.187  447.849  19.980  432.292  20.147  95.197  2.1264 93.526  2.1825 1.671494       3.047082  
1 1 1 -4  14  12 o 129.457 2.1146 828.228  27.021  840.341  38.236  816.145  38.189  130.313 2.9727 128.418 3.0129 1.894455       4.232561  
1 1 1 -4  14  13 o 91.350  1.7663 412.240  15.926  418.043  19.670  401.197  27.133  91.967  2.1669 90.028  3.0535 1.938805       3.744226  
1 1 1 -4  14  14 f 97.233  1.6992 467.043  16.307  459.795  23.066  474.286  23.058  96.427  2.4235 97.938  2.3853 -1.510811      3.400443  
1 1 1 -4  14  15 o 169.568 3.3910 1424.96  56.754  0.0000   0.0000  1424.96  56.754  ?       ?      169.568 3.3910 0.000000       3.390955  
1 1 1 -4  14  16 o 30.755  8.4333 49.542   26.367  46.100   38.774  52.503   35.961  30.918  10.570 32.078  10.143 -1.159536      14.64963  
1 1 1 -4  14  17 o 113.365 6.6291 649.082  73.853  678.312  105.194 620.670  103.711 114.612 9.3810 109.436 9.7019 5.176247       13.49558  
1 1 1 -4  14  18 o 89.493  1.9710 396.114  17.410  424.794  25.394  370.675  23.916  92.578  2.7790 86.477  2.8019 6.101234       3.946389  
1 1 1 -4  14  19 o 49.753  1.7485 122.422  8.5865  115.994  9.9730  140.841  16.881  48.407  2.0873 53.132  3.2343 -4.725121      3.849338  
1 1 1 -4  14  20 o 22.337  6.0611 26.259   13.704  32.460   25.460  23.729   16.260  25.409  8.5660 21.571  6.8202 3.837696       10.94949  
1 1 1 -4  14  21 o 95.794  1.8925 454.549  17.894  494.595  24.945  412.100  25.682  99.780  2.5328 90.997  2.8594 8.782631       3.819840  
1 1 1 -4  14  22 f 46.448  1.4054 106.709  6.4430  110.332  9.1803  103.192  9.0448  47.179  1.9714 45.623  2.0086 1.556049       2.814383  
1 1 1 -4  14  23 o 40.572  7.9348 90.337   30.638  86.668   43.021  94.113   43.642  38.330  10.870 39.955  10.806 -1.625229      15.32753  
1 1 1 -4  15  1  o 38.947  1.3945 74.899   5.3607  64.548   6.4821  97.295   9.5351  36.103  1.8250 44.373  2.1771 -8.270004      2.840800  
1 1 1 -4  15  2  o 64.883  1.2470 207.849  7.9861  203.710  11.022  212.424  11.588  64.221  1.7387 65.579  1.7902 -1.357605      2.495603  
1 1 1 -4  15  3  o 26.770  7.8031 36.645   21.883  40.364   29.794  32.288   32.246  28.637  9.2512 27.050  9.6128 1.586304       13.34132  
1 1 1 -4  15  4  o 58.770  6.7117 174.682  38.235  178.303  54.402  171.148  53.749  58.640  9.7410 57.397  9.8417 1.242844       13.84724  
1 1 1 -4  15  5  o 45.448  7.2061 105.809  31.247  100.340  43.193  111.813  45.259  43.632  10.210 46.088  10.217 -2.455162      14.44459  
1 1 1 -4  15  6  o 238.415 2.9478 2812.02  69.368  2848.06  98.098  2775.97  98.103  239.655 4.1471 236.587 4.2011 3.067719       5.903147  
1 1 1 -4  15  7  o 81.171  1.3931 325.347  11.162  323.984  15.419  326.849  16.179  80.980  1.9290 81.334  2.0153 -0.3533554     2.789706  
1 1 1 -4  15  8  o 94.860  1.6212 444.434  15.179  447.119  21.470  441.750  21.463  95.110  2.2870 94.537  2.3002 0.5735397      3.243654  
1 1 1 -4  15  9  o 108.917 1.7134 585.974  18.420  591.687  26.147  580.345  25.952  109.398 2.4215 108.344 2.4268 1.054031       3.428292  
1 1 1 -4  15  10 o 110.683 1.7692 605.183  19.329  585.492  26.893  626.222  27.799  108.814 2.5039 112.535 2.5027 -3.721336      3.540222  
1 1 1 -4  15  11 o 21.552  0.7133 22.927   1.5173  27.042   2.1409  18.774   2.1507  23.405  0.9267 19.468  1.1240 3.937540       1.456808  
1 1 1 -4  15  12 o 75.352  1.5018 280.426  11.170  276.798  15.518  284.326  16.091  74.835  2.1008 75.844  2.1495 -1.008255      3.005602  
1 1 1 -4  15  13 o 60.441  1.7217 180.475  10.271  177.758  15.940  182.405  13.432  59.938  2.6943 60.741  2.2404 -0.8025208     3.504104  
1 1 1 -4  15  14 o 176.150 4.0617 1540.83  70.620  1571.59  95.850  1504.31  104.447 177.453 5.4723 173.378 6.1033 4.075424       8.197404  
1 1 1 -4  15  15 o 121.799 9.7585 764.838  116.331 780.452  164.716 749.298  164.320 120.321 14.139 117.653 14.454 2.668327       20.21948  
1 1 1 -4  15  16 o 100.248 6.6456 508.015  65.384  538.147  93.219  478.836  91.734  102.031 9.3607 95.983  9.8211 6.048416       13.56750  
1 1 1 -4  15  17 o 40.592  2.8958 82.091   11.526  75.218   16.317  88.936   16.285  38.608  4.3581 42.094  3.9662 -3.485817      5.892663  
1 1 1 -4  15  18 o 31.303  1.8473 48.635   5.6826  61.444   16.179  46.833   6.0692  34.700  4.8570 30.699  2.0141 4.000340       5.258032  
1 1 1 -4  15  19 o 86.176  2.2614 368.012  19.235  423.102  35.049  344.268  23.010  92.041  3.8580 83.259  2.8000 8.782387       4.766973  
1 1 1 -4  15  20 o 13.042  5.4265 2.3307   11.551  -10.7247 18.759  10.303   14.659  13.726  6.2586 16.685  6.3804 -2.958785      8.937536  
1 1 1 -4  15  21 o 67.593  1.5884 226.126  10.598  230.141  12.555  216.173  19.766  68.154  1.8663 65.839  3.0416 2.314888       3.568554  
1 1 1 -4  15  22 o 37.709  4.5507 72.941   16.595  84.400   24.323  62.961   22.699  39.928  6.3870 34.160  6.9684 5.768875       9.452587  
1 1 1 -4  16  1  o 113.166 6.4188 641.762  71.402  608.396  100.825 675.331  101.131 109.213 9.4462 115.286 8.9577 -6.073029      13.01814  
1 1 1 -4  16  2  o 68.902  6.4871 239.251  43.598  234.725  61.671  243.773  61.644  67.448  9.5290 68.821  9.3140 -1.373520      13.32486  
1 1 1 -4  16  3  o 70.342  2.5209 244.660  17.503  246.572  18.223  221.892  62.885  70.612  2.6146 65.378  10.068 5.233810       10.40208  
1 1 1 -4  16  4  o 75.377  1.3758 280.565  10.236  289.023  14.388  271.897  14.565  76.485  1.9059 74.181  1.9892 2.304337       2.754880  
1 1 1 -4  16  5  o 54.061  1.4411 144.328  7.6900  147.472  10.639  140.889  11.128  54.632  1.9731 53.394  2.1114 1.237808       2.889830  
1 1 1 -4  16  6  o 120.282 2.4979 715.399  29.656  699.670  30.801  915.134  109.761 118.941 2.6237 134.495 8.3089 -15.55388      8.713295  
1 1 1 -4  16  7  o 95.262  1.5277 448.195  14.364  429.606  20.010  467.957  20.632  93.230  2.1745 97.304  2.1482 -4.074196      3.056681  
1 1 1 -4  16  8  o 41.371  1.8345 84.560   7.4911  86.816   10.171  81.885   11.075  41.827  2.4746 40.588  2.7812 1.239765       3.722721  
1 1 1 -4  16  9  o 228.177 3.1985 2578.32  72.035  2497.24  107.292 2644.88  97.201  224.062 4.8514 230.795 4.2669 -6.733154      6.460818  
1 1 1 -4  16  10 o 104.601 1.5950 540.451  16.468  544.754  24.367  536.834  22.343  104.962 2.3520 104.211 2.1722 0.7510681      3.201603  
1 1 1 -4  16  11 o 100.380 1.5992 497.732  15.845  501.832  22.257  493.519  22.562  100.748 2.2382 99.906  2.2879 0.8418961      3.200629  
1 1 1 -4  16  12 o 112.333 1.7456 623.468  19.354  618.228  27.226  628.821  27.518  111.796 2.4674 112.749 2.4727 -0.9531937     3.493151  
1 1 1 -4  16  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  16  14 o 229.988 16.122 2909.22  363.666 2909.22  363.666 0.0000   0.0000  229.988 16.122 ?       ?      0.000000       16.12198  
1 1 1 -4  16  15 o 131.221 2.0454 851.445  26.492  848.073  37.050  854.972  37.894  130.837 2.8690 131.358 2.9226 -0.5215912     4.095469  
1 1 1 -4  16  16 o 49.524  1.1745 121.130  5.7410  133.234  9.4120  113.958  7.2448  51.912  1.8369 48.023  1.5284 3.888527       2.389601  
1 1 1 -4  16  17 o 10.940  2.8436 6.1569   3.0988  5.7445   3.1151  45.452   30.409  10.594  2.8961 29.577  9.3244 -18.98365      9.763822  
1 1 1 -4  16  18 o 40.586  1.2619 81.393   5.0553  76.130   7.1683  86.601   7.1304  39.224  1.8515 41.842  1.7265 -2.617634      2.531596  
1 1 1 -4  16  19 o 17.321  5.4128 15.155   10.272  17.164   15.055  13.405   14.050  19.043  6.5832 17.512  6.3311 1.531027       9.133537  
1 1 1 -4  16  20 o 89.737  1.8184 398.903  16.107  408.007  23.529  390.876  22.095  90.571  2.6320 88.676  2.5243 1.894112       3.646867  
1 1 1 -4  16  21 o 43.172  7.7139 101.119  31.664  95.992   45.492  105.938  44.101  40.365  11.081 42.714  10.528 -2.348656      15.28471  
1 1 1 -4  16  22 o 61.154  7.1335 199.705  42.250  229.416  60.265  170.988  59.248  63.488  9.9434 53.390  11.577 10.09831       15.26073  
1 1 1 -4  17  1  o 218.431 3.9414 2366.97  84.976  2375.60  130.905 2360.69  111.711 218.047 6.0824 217.723 5.1983 0.3244934      8.001093  
1 1 1 -4  17  2  o 56.640  1.4364 158.437  8.0304  161.266  12.352  156.365  10.569  57.118  2.1910 56.254  1.9034 0.8635063      2.902314  
1 1 1 -4  17  3  o 215.067 2.8229 2288.81  59.925  2277.92  88.667  2297.97  81.305  214.210 4.1936 215.256 3.8267 -1.046158      5.677180  
1 1 1 -4  17  4  o 89.970  1.7341 399.893  15.399  396.973  24.421  401.820  19.841  89.571  2.7623 90.157  2.2296 -0.5856705     3.549857  
1 1 1 -4  17  5  o 99.246  1.6037 486.533  15.709  486.268  21.792  486.819  22.666  99.179  2.2261 99.228  2.3143 -0.4932404E-01 3.211170  
1 1 1 -4  17  6  o 107.014 1.6148 565.691  17.057  571.367  23.960  559.859  24.287  107.503 2.2580 106.410 2.3124 1.092690       3.231989  
1 1 1 -4  17  7  o 127.798 2.5619 807.903  32.317  811.917  33.688  761.591  114.429 128.102 2.6643 121.912 9.5869 6.190643       9.950199  
1 1 1 -4  17  8  o 80.761  1.5074 322.152  12.016  309.964  16.791  334.944  17.202  79.184  2.1483 82.315  2.1172 -3.130898      3.016278  
1 1 1 -4  17  9  o 112.079 1.6778 620.597  18.561  614.054  26.019  627.377  26.485  111.428 2.3657 112.629 2.3824 -1.200729      3.357440  
1 1 1 -4  17  10 o 150.308 2.4709 1117.62  36.659  1085.38  46.919  1168.14  58.736  148.004 3.2118 153.402 3.8792 -5.398499      5.036196  
1 1 1 -4  17  11 o 127.290 6.5931 815.746  82.551  864.255  117.233 768.037  116.262 129.832 9.2079 122.091 9.7284 7.741119       13.39502  
1 1 1 -4  17  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  17  13 o 142.378 2.1116 1002.46  29.675  977.831  41.634  1027.90  42.309  140.472 3.0028 144.029 2.9761 -3.556488      4.227754  
1 1 1 -4  17  14 o 129.499 2.1512 829.530  27.497  820.463  38.190  839.290  39.623  128.649 3.0075 130.102 3.0855 -1.452499      4.308767  
1 1 1 -4  17  15 o 73.732  1.6100 268.681  11.717  273.706  16.707  263.819  16.436  74.365  2.2762 73.009  2.2808 1.355980       3.222246  
1 1 1 -4  17  16 o 90.783  1.9791 407.755  17.734  411.265  24.536  403.916  25.661  91.070  2.7296 90.228  2.8814 0.8419266      3.968999  
1 1 1 -4  17  17 o 27.005  1.3758 36.136   3.6551  43.321   5.1904  29.066   5.1481  29.538  1.7887 24.127  2.1855 5.411240       2.824201  
1 1 1 -4  17  18 f 70.282  1.5704 244.338  10.894  244.196  13.432  244.612  18.621  70.220  1.9380 70.167  2.6887 0.5301666E-01  3.314371  
1 1 1 -4  17  19 o 36.449  1.2335 65.679   4.4379  65.284   6.2904  66.070   6.2618  36.308  1.7553 36.527  1.7368 -0.2193642     2.469307  
1 1 1 -4  17  20 o 44.914  7.8320 109.733  33.458  100.380  48.569  118.180  46.157  40.976  11.525 45.079  10.559 -4.102650      15.63089  
1 1 1 -4  17  21 o 32.115  1.2203 51.004   3.8682  56.475   5.5614  45.878   5.3839  33.762  1.6688 30.368  1.8043 3.394678       2.457733  
1 1 1 -4  17  22 o 37.250  1.5523 68.739   5.7074  76.254   18.927  67.988   5.9861  38.213  5.1491 37.037  1.6375 1.175518       5.403166  
1 1 1 -4  18  1  o 62.548  1.5461 193.262  9.5451  198.484  13.436  187.940  13.563  63.360  2.1484 61.650  2.2288 1.710251       3.095727  
1 1 1 -4  18  2  o 96.049  1.6259 455.757  15.414  462.116  21.372  448.863  22.251  96.672  2.2398 95.265  2.3664 1.407021       3.258363  
1 1 1 -4  18  3  f 122.154 1.8771 737.411  22.633  735.688  32.755  738.986  31.309  121.919 2.7219 122.208 2.5956 -0.2888641     3.761085  
1 1 1 -4  18  4  o 27.572  1.4505 37.651   3.9334  38.143   4.1747  33.763   11.740  27.746  1.5303 25.632  4.8172 2.113688       5.054420  
1 1 1 -4  18  5  f 30.060  1.0464 44.615   3.1046  39.497   4.3707  49.827   4.4108  28.232  1.5747 31.762  1.4069 -3.530178      2.111696  
1 1 1 -4  18  6  o 72.747  1.3467 261.362  9.6701  262.567  13.781  260.194  13.573  72.887  1.9155 72.558  1.8952 0.3290482      2.694616  
1 1 1 -4  18  7  f 64.115  1.6427 203.094  10.396  196.383  14.361  210.482  15.068  63.013  2.3090 65.234  2.3401 -2.220871      3.287520  
1 1 1 -4  18  8  o 92.529  1.8993 423.167  17.346  428.550  21.067  411.837  30.566  93.084  2.2930 91.132  3.3981 1.951759       4.099351  
1 1 1 -4  18  9  o 60.256  2.2529 179.574  13.399  176.218  17.894  183.856  20.214  59.558  3.0542 60.794  3.3821 -1.235794      4.557067  
1 1 1 -4  18  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  18  11 o 100.354 7.4459 512.502  73.227  490.525  126.661 523.535  89.746  94.726  13.966 100.682 9.1302 -5.955978      16.68561  
1 1 1 -4  18  12 o 31.258  3.6241 49.172   10.974  60.592   15.109  36.420   15.966  34.576  4.5365 26.395  6.2286 8.180363       7.705560  
1 1 1 -4  18  13 o 101.674 1.7737 511.050  17.801  498.177  25.163  523.946  25.185  100.296 2.5418 102.866 2.4805 -2.569778      3.551542  
1 1 1 -4  18  14 o 36.677  1.3549 66.461   4.9049  78.500   6.8786  54.007   6.9961  39.846  1.7490 32.964  2.1622 6.881844       2.780981  
1 1 1 -4  18  15 o 52.216  1.4886 134.760  7.6721  138.295  10.719  131.048  10.986  52.860  2.0545 51.448  2.1633 1.411755       2.983436  
1 1 1 -4  18  16 o 29.341  4.1169 43.865   11.595  49.490   16.036  37.703   16.785  30.874  5.4621 26.686  6.4449 4.187958       8.448099  
1 1 1 -4  18  17 o 51.482  1.8388 131.222  9.3437  128.131  10.742  140.828  18.938  50.843  2.1405 52.966  3.6446 -2.122292      4.226745  
1 1 1 -4  18  18 o 54.139  1.2737 144.918  6.8062  144.501  11.778  145.127  8.3395  53.961  2.2114 54.153  1.5602 -0.1918945     2.706376  
1 1 1 -4  18  19 o 71.042  8.2079 273.627  56.495  275.922  69.982  269.333  95.729  69.435  10.542 63.713  15.394 5.722313       18.65807  
1 1 1 -4  18  20 o 18.952  1.2521 17.843   2.3290  31.525   3.3721  5.3637   3.2205  25.204  1.3605 10.262  2.9941 14.94193       3.288729  
1 1 1 -4  18  21 f 63.601  1.7273 200.572  10.843  267.236  23.810  183.129  12.179  72.958  3.3064 60.717  2.0322 12.24063       3.880982  
1 1 1 -4  19  1  o 106.753 1.7571 563.292  18.514  563.627  27.384  563.010  25.128  106.687 2.6005 106.657 2.3869 0.3014374E-01  3.529835  
1 1 1 -4  19  2  o 71.819  1.4715 254.818  10.431  249.335  15.138  259.775  14.394  70.999  2.1601 72.481  2.0119 -1.481842      2.951957  
1 1 1 -4  19  3  o 12.702  1.1249 8.0302   1.3958  6.5550   1.9172  9.6942   2.0361  11.383  1.7633 13.927  1.5051 -2.543691      2.318360  
1 1 1 -4  19  4  f 51.247  1.4677 129.741  7.4241  129.720  12.478  129.753  9.2367  51.196  2.4694 51.235  1.8265 -0.3923416E-01 3.071447  
1 1 1 -4  19  5  o 56.676  1.4393 158.677  8.0514  158.982  9.9103  158.086  13.809  56.716  1.7703 56.517  2.4754 0.1993370      3.043292  
1 1 1 -4  19  6  o 35.431  1.1308 61.991   3.9547  61.544   5.6031  62.436   5.5825  35.292  1.6085 35.547  1.5911 -0.2553673     2.262470  
1 1 1 -4  19  7  o 113.358 1.7798 635.137  19.914  666.188  28.386  605.048  27.943  116.014 2.4789 110.551 2.5608 5.462616       3.564099  
1 1 1 -4  19  8  o 102.546 6.5665 531.966  66.115  527.783  93.630  536.126  93.371  100.805 9.5230 101.663 9.4118 -0.8574905     13.38918  
1 1 1 -4  19  9  o 111.609 6.7037 630.900  73.507  623.896  103.843 637.935  104.068 109.473 9.7111 110.762 9.6145 -1.289047      13.66542  
1 1 1 -4  19  10 o 143.497 2.0875 1018.58  29.566  996.612  41.534  1041.15  42.099  141.774 2.9680 144.913 2.9433 -3.139038      4.179955  
1 1 1 -4  19  11 o 67.680  1.4283 226.323  9.5416  215.855  13.339  237.293  13.655  66.057  2.0458 69.263  1.9973 -3.206360      2.859107  
1 1 1 -4  19  12 o 107.211 1.9442 568.559  20.574  563.175  28.511  574.409  29.718  106.587 2.7100 107.629 2.7974 -1.042114      3.894873  
1 1 1 -4  19  13 o 127.162 2.1295 800.447  26.728  812.742  37.306  787.480  38.312  127.956 2.9538 125.919 3.0826 2.036850       4.269353  
1 1 1 -4  19  14 o 143.107 2.2685 1014.62  32.043  1015.76  44.469  1013.40  46.211  142.930 3.1521 142.719 3.2804 0.2103424      4.549414  
1 1 1 -4  19  15 o 65.277  2.2492 211.213  14.492  206.018  19.942  217.027  21.096  64.336  3.1404 66.015  3.2376 -1.678955      4.510467  
1 1 1 -4  19  16 o 49.956  1.2059 123.342  5.9462  125.160  7.5290  120.328  9.6937  50.301  1.5164 49.279  1.9929 1.021713       2.504261  
1 1 1 -4  19  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  19  18 o 74.293  6.8853 291.953  49.916  284.224  70.418  299.758  70.767  70.400  10.451 72.592  10.155 -2.191940      14.57186  
1 1 1 -4  19  19 o 19.592  6.3638 19.766   14.085  18.727   31.636  20.023   15.730  22.767  9.1673 19.923  6.7331 2.844643       11.37426  
1 1 1 -4  19  20 o 51.564  2.7812 133.241  14.103  127.166  19.942  139.318  19.947  49.937  4.0816 52.358  3.8874 -2.421844      5.636596  
1 1 1 -4  19  21 o 41.926  1.3196 87.028   5.4607  91.246   7.8024  82.979   7.6451  42.865  1.8441 40.870  1.8952 1.995125       2.644326  
1 1 1 -4  20  1  o 53.909  1.6981 143.712  9.0356  141.368  12.472  146.301  13.108  53.418  2.3655 54.335  2.4441 -0.9168625     3.401346  
1 1 1 -4  20  2  o 105.911 1.7489 554.674  18.283  574.922  26.193  535.438  25.531  107.722 2.4635 103.953 2.4882 3.768921       3.501423  
1 1 1 -4  20  3  o 50.545  1.7930 126.333  8.9454  125.305  12.276  127.496  13.062  50.294  2.4729 50.653  2.6216 -0.3592339     3.603849  
1 1 1 -4  20  4  o 104.433 1.7437 539.217  17.974  529.567  24.876  549.758  25.998  103.405 2.4373 105.348 2.5003 -1.943062      3.491710  
1 1 1 -4  20  5  o 176.503 2.7907 1544.53  48.617  1554.16  76.795  1538.10  62.806  176.450 4.4094 175.861 3.6182 0.5882263      5.703910  
1 1 1 -4  20  6  o 24.078  8.3543 27.303   24.256  19.585   34.165  35.147   34.442  24.421  9.6271 27.652  9.9232 -3.231077      13.82575  
1 1 1 -4  20  7  o 107.635 6.5945 588.646  69.722  535.466  98.299  642.486  98.907  100.776 10.015 111.061 9.1026 -10.28511      13.53352  
1 1 1 -4  20  8  o 161.751 2.2571 1295.25  36.036  1278.51  50.733  1312.30  51.194  160.449 3.2035 162.559 3.1906 -2.110855      4.521319  
1 1 1 -4  20  9  o 37.733  3.0615 71.142   11.304  72.100   17.618  70.472   14.737  37.643  4.8548 37.379  4.0597 0.2640114      6.328516  
1 1 1 -4  20  10 o 75.853  1.7192 284.518  12.872  272.647  16.926  300.799  19.823  74.194  2.3112 77.896  2.5782 -3.702271      3.462483  
1 1 1 -4  20  11 o 100.698 1.8304 501.643  18.193  491.462  25.810  511.697  25.647  99.544  2.6268 101.586 2.5579 -2.041603      3.666450  
1 1 1 -4  20  12 o 123.288 2.3840 753.496  29.010  753.428  36.461  753.612  47.891  123.122 3.0003 122.821 3.9504 0.3012619      4.960602  
1 1 1 -4  20  13 o 58.371  1.1873 168.358  6.8405  164.171  9.6587  172.571  9.6892  57.604  1.6988 59.062  1.6621 -1.458412      2.376606  
1 1 1 -4  20  14 o 41.936  1.3085 86.937   5.4162  73.526   7.6014  100.766  7.7193  38.471  2.0088 45.120  1.7333 -6.649300      2.653263  
1 1 1 -4  20  15 o 79.752  1.5809 314.774  12.444  304.955  17.581  324.633  17.616  78.382  2.2725 80.885  2.2066 -2.502617      3.167498  
1 1 1 -4  20  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  20  17 o 60.763  1.9399 183.210  11.634  193.486  16.485  173.012  16.422  62.290  2.6813 58.868  2.8263 3.421585       3.895824  
1 1 1 -4  20  18 o 59.876  1.6235 177.676  9.5949  175.190  13.562  180.167  13.576  59.327  2.3161 60.170  2.2859 -0.8434753     3.254152  
1 1 1 -4  20  19 o 73.177  2.3139 266.690  16.713  266.196  24.080  267.149  23.215  72.747  3.3536 72.929  3.2250 -0.1818314     4.652644  
1 1 1 -4  20  20 o 43.480  2.0938 94.073   8.9859  92.539   9.1403  138.307  49.086  43.114  2.1479 47.372  10.745 -4.257256      10.95752  
1 1 1 -4  21  1  o 46.847  2.0897 108.771  9.6626  121.802  12.066  85.477   16.132  49.533  2.4680 41.108  4.0277 8.425613       4.723697  
1 1 1 -4  21  2  f 75.686  1.5226 283.301  11.374  277.531  15.163  290.726  17.201  74.847  2.0525 76.573  2.2758 -1.725151      3.064643  
1 1 1 -4  21  3  o 55.840  1.8937 154.358  10.437  172.795  17.212  143.636  13.126  58.875  2.9715 53.807  2.4715 5.067696       3.864986  
1 1 1 -4  21  4  o 33.957  8.2318 62.331   27.304  47.996   38.138  77.403   39.106  30.562  10.483 37.357  10.282 -6.795094      14.68347  
1 1 1 -4  21  5  o 140.561 6.7443 1011.02  93.571  998.915  132.295 1023.14  132.363 136.701 9.8712 138.487 9.7454 -1.786682      13.87132  
1 1 1 -4  21  6  o 46.636  1.2621 107.471  5.8094  98.971   8.1484  116.259  8.2849  44.721  1.8460 48.477  1.7315 -3.756786      2.530940  
1 1 1 -4  21  7  o 101.978 1.8192 514.610  18.312  508.606  25.837  520.670  25.957  101.243 2.5854 102.441 2.5671 -1.197594      3.643437  
1 1 1 -4  21  8  o 34.723  1.7669 59.810   6.0356  54.471   6.6004  87.065   14.911  33.104  2.0298 41.615  3.6678 -8.510723      4.191983  
1 1 1 -4  21  9  o 47.786  1.2651 112.852  5.9672  111.509  8.3589  114.247  8.5213  47.469  1.7840 48.047  1.7968 -0.5782013     2.532057  
1 1 1 -4  21  10 o 3.9899  1.6964 -0.0049  1.1677  -9.9913  30.598  0.0097   1.1685  18.324  8.2066 4.0036  1.6995 14.32050       8.380768  
1 1 1 -4  21  11 o 69.500  1.4585 238.872  10.005  213.508  15.255  258.023  13.255  65.598  2.3560 72.186  1.8603 -6.587463      3.001925  
1 1 1 -4  21  12 o 19.073  1.3306 18.074   2.4893  18.267   2.5218  10.707   15.558  19.174  1.3409 17.080  6.5633 2.094038       6.698850  
1 1 1 -4  21  13 o 36.071  3.4873 65.690   12.261  67.132   16.798  64.047   17.937  36.104  4.8352 35.091  5.3479 1.013596       7.209632  
1 1 1 -4  21  14 o 60.826  10.903 214.141  63.054  204.336  89.762  223.694  88.594  54.847  15.751 58.065  15.259 -3.217899      21.92995  
1 1 1 -4  21  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  21  16 o 45.079  1.2575 100.541  5.5953  112.921  7.8949  88.047   7.9310  47.728  1.6759 42.117  1.9078 5.610783       2.539365  
1 1 1 -4  21  17 o 35.435  3.5779 63.925   12.343  83.565   17.792  45.706   17.136  40.207  4.5640 29.020  6.1724 11.18768       7.676547  
1 1 1 -4  21  18 o 39.741  3.3288 80.042   12.938  78.165   18.334  81.903   18.259  38.688  4.9117 39.679  4.7570 -0.9913139     6.837719  
1 1 1 -4  21  19 f 18.581  1.2046 17.159   2.1973  14.993   3.1919  19.109   3.0293  17.265  1.9048 19.565  1.5822 -2.300365      2.476179  
1 1 1 -4  22  1  f 38.680  7.8788 81.993   29.059  59.096   41.068  104.952  41.123  32.374  10.880 42.796  9.9276 -10.42205      14.72827  
1 1 1 -4  22  2  o 56.277  8.4265 172.701  45.367  173.935  80.323  172.123  54.974  51.498  14.932 54.780  10.550 -3.281487      18.28316  
1 1 1 -4  22  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  22  4  o 43.713  1.6791 94.615   7.2448  105.467  15.663  91.661   8.1715  45.776  3.4930 43.004  1.9251 2.772472       3.988399  
1 1 1 -4  22  5  o 51.245  1.3531 129.869  6.8439  127.030  10.138  132.247  9.2768  50.616  2.0292 51.668  1.8190 -1.052658      2.725201  
1 1 1 -4  22  6  o 45.655  2.3651 103.786  10.621  99.965   14.714  107.943  15.347  44.600  3.3672 46.353  3.3777 -1.752262      4.769341  
1 1 1 -4  22  7  o 61.992  1.3276 190.039  8.1237  186.730  10.538  194.885  12.754  61.407  1.7386 62.690  2.0612 -1.283455      2.696534  
1 1 1 -4  22  8  o 61.406  1.5400 186.598  9.3341  178.436  12.350  197.469  14.254  59.981  2.0861 63.066  2.2899 -3.085873      3.097647  
1 1 1 -4  22  9  o 58.994  1.7373 172.370  10.116  161.880  12.026  197.751  18.706  57.119  2.1331 62.964  3.0099 -5.845535      3.689086  
1 1 1 -4  22  10 o 74.866  1.6023 277.492  11.840  282.817  16.650  272.045  16.840  75.468  2.2352 74.002  2.3055 1.465759       3.211155  
1 1 1 -4  22  11 o 70.060  3.0856 245.276  21.338  187.820  94.036  248.395  21.909  51.647  16.409 70.486  3.1491 -18.83958      16.70880  
1 1 1 -4  22  12 o 25.983  7.2365 36.913   19.246  25.264   24.182  57.041   31.787  22.886  8.3011 31.624  9.4538 -8.738344      12.58105  
1 1 1 -4  22  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -4  22  14 o 20.003  1.7285 19.990   3.3792  16.427   20.472  20.090   3.4262  19.735  7.5417 20.051  1.7487 -0.3160496     7.741780  
1 1 1 -4  22  15 o 46.156  1.1145 105.369  5.0773  105.645  7.1568  105.090  7.2042  46.167  1.5706 46.044  1.5852 0.1233940      2.231477  
1 1 1 -4  22  16 o 80.054  2.0015 318.639  15.815  328.237  20.693  305.160  24.524  81.050  2.5866 77.901  3.1894 3.149918       4.106449  
1 1 1 -4  22  17 o 39.557  1.2012 77.444   4.6900  92.676   8.0765  69.694   5.7609  43.181  1.8950 37.489  1.5569 5.691833       2.452491  
1 1 1 -4  22  18 o 67.074  1.9345 223.830  12.808  230.329  18.104  217.319  18.121  67.781  2.7061 65.806  2.7899 1.974487       3.886670  
1 1 1 -4  23  1  o 16.985  6.2614 12.571   13.838  13.991   16.058  8.4751   27.278  18.032  6.7256 19.824  8.3015 -1.791851      10.68402  
1 1 1 -4  23  2  o 20.781  7.6203 20.040   20.459  18.743   29.283  21.277   28.595  22.295  8.8734 22.679  8.8469 -0.3840904     12.53015  
1 1 1 -4  23  3  o 82.612  2.0366 338.902  16.606  359.496  26.892  326.210  21.112  84.695  3.2169 80.879  2.6446 3.816032       4.164452  
1 1 1 -4  23  4  o 44.097  1.7223 96.393   7.4965  109.603  15.886  92.608   8.5027  46.581  3.4803 43.190  1.9946 3.391724       4.011290  
1 1 1 -4  23  5  o 7.2926  1.9720 2.7275   1.4536  0.7888   2.0816  4.5726   2.0307  5.8591  2.3542 9.4041  2.2229 -3.545068      3.237812  
1 1 1 -4  23  6  o 77.694  1.9567 299.621  15.005  298.187  20.861  301.158  21.600  77.297  2.7343 77.654  2.8181 -0.3572006     3.926564  
1 1 1 -4  23  7  o 48.662  1.0339 117.056  4.9662  119.353  7.0177  114.753  7.0288  49.099  1.4481 48.140  1.4792 0.9586830      2.070033  
1 1 1 -4  23  8  o 33.748  3.3739 57.733   11.088  51.098   15.085  65.530   16.354  31.212  5.0705 35.533  4.7845 -4.321436      6.971479  
1 1 1 -4  23  9  o ?       ?      -8.7544  1.7566  -8.8322  1.7674  -2.4799  15.882  ?       ?      13.773  6.0532 0.000000       6.053180  
1 1 1 -4  23  10 o 55.466  3.4188 155.284  18.626  143.267  23.974  173.582  29.583  52.771  4.6501 57.817  5.2409 -5.045319      7.006476  
1 1 1 -4  23  11 o 44.058  8.3988 109.707  35.191  90.445   49.334  129.661  50.212  37.774  11.872 45.845  11.194 -8.071285      16.31681  
1 1 1 -4  23  12 o 15.186  6.2740 5.0447   15.283  -3.7546  28.851  8.4770   18.019  18.104  8.0478 16.989  6.8912 1.114614       10.59503  
1 1 1 -4  23  13 o 40.457  1.1260 80.967   4.4965  78.767   7.4651  82.220   5.6331  39.816  1.8995 40.742  1.4008 -0.9256363     2.360146  
1 1 1 -4  23  14 o 5.4016  2.0893 0.9305   1.5843  -1.3684  2.3181  2.9457   2.1704  4.8811  2.2157 7.7736  2.4954 -2.892491      3.337095  
1 1 1 -4  23  15 o 40.761  3.3218 84.368   13.248  79.908   18.396  89.174   19.095  39.038  4.8810 41.319  4.7698 -2.280952      6.824618  
1 1 1 -4  23  16 o 18.001  1.3778 16.152   2.4294  21.945   3.5002  10.766   3.3746  20.952  1.7074 14.483  2.4478 6.468624       2.984447  
1 1 1 -4  23  17 o 38.235  3.6112 74.999   13.467  74.013   19.151  75.963   18.942  37.156  5.3783 37.730  5.2267 -0.5742760     7.499651  
1 1 1 -4  24  2  o 71.816  1.9447 256.344  13.785  261.521  19.315  250.969  19.680  72.299  2.7067 70.785  2.8168 1.513481       3.906467  
1 1 1 -4  24  3  o 45.393  7.7405 114.888  33.437  121.762  47.384  108.071  47.191  44.361  10.900 41.434  11.250 2.927414       15.66394  
1 1 1 -4  24  4  o 69.716  2.0895 241.749  14.378  247.640  20.435  235.972  20.234  70.290  2.9454 68.599  2.9884 1.691414       4.195931  
1 1 1 -4  24  5  o 37.548  3.0142 71.144   11.077  77.372   15.443  64.546   15.896  38.821  4.0920 35.204  4.6916 3.616673       6.225395  
1 1 1 -4  24  6  o 46.167  1.7479 105.770  7.9648  101.219  8.9764  122.615  17.270  45.122  2.0155 49.157  3.5840 -4.034191      4.111863  
1 1 1 -4  24  7  o 62.850  1.7611 196.052  10.925  185.784  13.050  220.111  19.975  61.094  2.1640 66.220  3.0561 -5.125938      3.744721  
1 1 1 -4  24  8  o 42.655  3.3083 92.141   13.820  93.938   22.478  91.048   17.523  42.143  5.5379 42.044  4.2822 0.9881210E-01  7.000398  
1 1 1 -4  24  9  o 53.811  7.6772 160.977  39.620  165.777  56.279  156.261  55.787  51.323  11.406 49.569  11.607 1.754528       16.27270  
1 1 1 -4  24  10 f 22.526  1.3132 25.211   2.9071  25.545   2.9183  -17.7125 33.088  22.675  1.3095 17.479  8.0935 5.196594       8.198740  
1 1 1 -4  24  11 o 46.163  1.9301 105.963  8.7944  103.635  9.2186  129.523  29.328  45.632  2.0468 49.063  6.1941 -3.431309      6.523539  
1 1 1 -4  24  12 o 40.002  1.0506 79.155   4.1481  72.960   5.1054  91.186   7.1153  38.376  1.3478 42.857  1.6820 -4.480835      2.155435  
1 1 1 -4  24  13 f 31.824  6.1658 55.604   18.668  53.245   40.797  56.228   20.995  29.535  10.771 31.623  6.9189 -2.088154      12.80211  
1 1 1 -4  24  14 o 28.850  5.1729 44.719   14.189  38.915   17.057  57.755   25.565  26.295  6.5863 31.265  8.1874 -4.970003      10.50772  
1 1 1 -4  24  15 o 11.847  1.2701 7.0336   1.4620  8.2916   2.0749  5.7932   2.0603  12.809  1.6818 10.605  2.0425 2.204262       2.645793  
1 1 1 -4  25  6  f 45.172  8.0765 117.708  34.688  106.183  48.667  129.611  49.456  39.645  11.660 44.444  11.260 -4.799149      16.20951  
1 1 1 -4  25  7  o 31.085  8.6769 57.880   27.638  51.277   39.435  64.254   38.745  28.998  10.588 31.745  10.567 -2.747242      14.95841  
1 1 1 -4  25  8  o 16.538  1.7984 13.755   2.8882  13.736   2.8950  17.875   42.270  16.525  1.8042 23.638  10.132 -7.112473      10.29165  
1 1 1 -4  25  9  o 25.521  1.0065 32.220   2.5354  28.353   3.0408  41.040   4.5926  23.887  1.2945 28.702  1.6278 -4.815180      2.079797  
1 1 1 -4  25  10 o 34.107  1.8018 58.021   6.0443  61.994   17.423  57.477   6.4446  33.941  5.3802 33.920  1.9329 0.2160263E-01  5.716921  
1 1 1 -4  25  11 o 46.360  1.2282 106.470  5.6202  88.869   9.2829  116.655  7.0614  42.112  2.2414 48.486  1.4755 -6.373764      2.683447  
1 1 1 -4  25  12 o 20.705  1.1621 21.298   2.3653  20.996   3.3407  21.603   3.3492  20.485  1.6667 20.784  1.6461 -0.2995186     2.342553  
1 1 1 -3  -23 1  o 13.484  4.7856 8.0803   7.9894  2.5160   11.594  13.111   11.025  13.076  5.4385 16.540  5.6365 -3.463889      7.832492  
1 1 1 -3  -22 1  o 100.562 1.6740 500.477  16.616  477.764  23.991  521.415  23.034  98.090  2.4779 102.522 2.2763 -4.431915      3.364733  
1 1 1 -3  -22 2  o 29.105  2.7893 42.518   7.9149  35.988   9.9986  53.479   12.953  26.518  3.9398 32.382  4.1480 -5.864531      5.720819  
1 1 1 -3  -22 3  o 45.243  3.5842 103.072  15.875  85.512   65.319  104.175  16.365  38.327  13.675 45.461  3.6787 -7.134083      14.16114  
1 1 1 -3  -21 1  o 30.076  2.2339 45.067   6.5842  50.940   9.3271  39.233   9.2958  31.874  3.0000 27.854  3.4553 4.019592       4.575923  
1 1 1 -3  -21 2  o 46.698  1.6073 107.867  7.4086  96.461   10.331  119.942  10.630  44.037  2.3858 49.195  2.1891 -5.158424      3.237954  
1 1 1 -3  -21 3  f 102.885 6.6244 545.337  66.914  542.370  96.043  548.136  93.279  100.131 9.8450 100.991 9.4681 -0.8606415     13.65905  
1 1 1 -3  -21 4  o 49.169  1.5044 119.573  7.3009  109.829  9.4820  133.762  11.442  47.080  2.0405 51.936  2.2321 -4.856522      3.024175  
1 1 1 -3  -20 1  o 94.808  1.4890 444.172  13.934  456.580  20.034  432.547  19.391  96.060  2.1130 93.499  2.1012 2.561012       2.979899  
1 1 1 -3  -20 2  o 47.951  7.0254 119.434  32.265  123.973  46.142  115.092  45.133  47.730  10.109 45.912  10.222 1.817978       14.37628  
1 1 1 -3  -20 3  o 12.805  4.0234 8.1049   5.6666  8.6451   8.4832  7.6697   7.6146  13.982  4.9346 13.217  4.6740 0.7654343      6.796855  
1 1 1 -3  -20 4  o 102.184 1.5307 516.313  15.439  511.748  21.681  521.008  21.990  101.634 2.1613 102.548 2.1725 -0.9133224     3.064465  
1 1 1 -3  -20 5  o 85.968  1.7027 365.646  14.448  379.032  25.673  359.441  17.479  87.303  2.9793 85.183  2.0788 2.120056       3.632875  
1 1 1 -3  -20 6  o 67.679  2.0132 226.922  13.448  348.321  63.287  221.181  13.763  81.273  7.9926 66.808  2.0871 14.46464       8.260613  
1 1 1 -3  -19 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -19 2  o 111.382 1.8409 613.259  20.238  623.089  25.047  594.771  34.349  112.225 2.2612 109.513 3.1778 2.711235       3.900141  
1 1 1 -3  -19 3  o 21.291  2.0863 22.640   4.3280  22.932   6.4815  22.405   5.8142  21.265  3.1862 21.067  2.8709 0.1977558      4.288782  
1 1 1 -3  -19 4  o 56.270  1.2281 156.421  6.8211  157.675  9.2350  154.915  10.118  56.472  1.6568 55.965  1.8317 0.5076332      2.469856  
1 1 1 -3  -19 5  o 43.950  1.2206 95.432   5.2950  90.932   6.8278  102.221  8.3868  42.883  1.6131 45.452  1.8694 -2.569145      2.469172  
1 1 1 -3  -19 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -19 7  f 98.797  6.4614 500.635  62.662  545.326  89.255  457.199  87.994  101.367 9.0149 92.161  9.8246 9.205223       13.33382  
1 1 1 -3  -18 1  o 128.627 6.4849 829.801  82.067  824.518  115.730 835.143  116.393 127.159 9.2849 127.983 9.2768 -0.8245087     13.12516  
1 1 1 -3  -18 2  o 106.147 1.4733 556.493  15.436  561.455  21.624  551.337  22.041  106.580 2.0555 105.611 2.1144 0.9693146      2.948927  
1 1 1 -3  -18 3  o 61.159  1.1048 184.691  6.6695  194.834  9.7402  175.736  9.1515  62.800  1.5714 59.644  1.5545 3.156555       2.210357  
1 1 1 -3  -18 4  o 54.820  1.1626 148.411  6.2906  141.967  8.5982  155.834  9.2278  53.600  1.6252 56.155  1.6648 -2.555008      2.326586  
1 1 1 -3  -18 5  o 94.376  1.3381 440.023  12.464  419.255  17.443  461.695  17.818  92.072  1.9194 96.625  1.8683 -4.553131      2.678498  
1 1 1 -3  -18 6  f 31.521  1.3872 49.098   4.3160  48.537   4.3585  77.464   31.000  31.340  1.4090 38.028  8.4755 -6.688066      8.591816  
1 1 1 -3  -18 7  o 61.848  6.5969 196.659  39.651  201.331  57.058  192.295  55.140  61.200  9.7745 59.837  9.6655 1.362335       13.74640  
1 1 1 -3  -18 8  o 20.666  6.9814 20.644   16.912  27.204   24.475  14.650   23.396  23.940  8.3871 20.553  8.0065 3.387707       11.59511  
1 1 1 -3  -17 1  o 119.092 2.8865 701.573  33.931  702.180  35.832  696.300  105.562 119.128 3.0474 117.075 9.2094 2.053131       9.700476  
1 1 1 -3  -17 2  o 125.065 1.6362 772.528  20.198  793.643  28.740  751.923  28.391  126.715 2.2979 123.336 2.3322 3.378380       3.274050  
1 1 1 -3  -17 3  o 117.097 1.5393 677.207  17.791  670.031  25.170  684.373  25.152  116.431 2.1902 117.672 2.1655 -1.241531      3.079986  
1 1 1 -3  -17 4  o 89.727  1.2977 397.564  11.493  413.368  16.553  382.857  15.969  91.465  1.8335 88.025  1.8380 3.440514       2.596139  
1 1 1 -3  -17 5  o 64.760  1.5120 207.173  9.6649  252.798  57.750  205.858  9.8031  70.035  8.5304 64.553  1.5386 5.482094       8.668079  
1 1 1 -3  -17 6  o 113.456 1.6678 636.169  18.677  604.173  22.863  700.370  32.386  110.521 2.0958 118.897 2.7596 -8.376350      3.465218  
1 1 1 -3  -17 7  f 160.268 6.7990 1303.31  107.554 1334.35  152.322 1272.46  151.888 159.667 9.7114 155.703 9.9349 3.963974       13.89296  
1 1 1 -3  -17 8  f 44.866  6.9240 104.668  29.676  97.721   42.433  111.319  41.517  42.243  10.275 45.373  9.5715 -3.130096      14.04274  
1 1 1 -3  -17 9  o 42.740  6.8190 95.212   27.800  75.873   39.510  114.173  39.122  37.195  10.372 46.130  8.9148 -8.935486      13.67645  
1 1 1 -3  -16 1  o 77.044  1.1325 293.035  8.6125  318.206  12.523  270.445  11.864  80.273  1.5805 74.003  1.6242 6.270370       2.266294  
1 1 1 -3  -16 2  o 143.495 2.5019 1017.80  35.435  1010.93  36.832  1103.24  129.885 143.000 2.6095 147.774 8.9470 -4.774536      9.319827  
1 1 1 -3  -16 3  o 80.464  1.1360 319.635  9.0223  313.756  12.607  325.807  12.918  79.707  1.6024 81.223  1.6113 -1.516022      2.272449  
1 1 1 -3  -16 4  o 77.175  1.0616 294.031  8.0868  310.921  11.553  277.809  11.323  79.349  1.4752 75.003  1.5295 4.345779       2.124952  
1 1 1 -3  -16 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -16 6  o 93.968  1.3868 436.095  12.863  427.771  15.722  452.944  22.368  93.050  1.7118 95.700  2.3680 -2.650482      2.921936  
1 1 1 -3  -16 7  o 71.547  6.4033 259.316  44.741  250.067  63.531  268.416  63.020  69.177  9.5599 71.895  9.0833 -2.718292      13.18702  
1 1 1 -3  -16 8  f 58.506  6.5264 174.926  37.046  171.203  52.083  178.739  52.704  56.772  9.6392 58.081  9.5237 -1.308926      13.55048  
1 1 1 -3  -16 9  o 99.154  6.4601 499.869  62.879  507.319  88.113  492.139  89.758  98.458  9.1724 96.752  9.5223 1.705490       13.22145  
1 1 1 -3  -16 10 o 85.165  6.3799 369.627  53.240  319.578  75.050  420.331  75.538  77.365  10.067 89.712  8.6374 -12.34730      13.26424  
1 1 1 -3  -15 1  o 110.144 1.4583 599.001  15.854  588.323  22.402  609.716  22.441  109.131 2.0797 111.099 2.0464 -1.968086      2.917712  
1 1 1 -3  -15 2  o 98.605  1.3084 480.035  12.734  471.483  17.979  488.645  18.039  97.703  1.8643 99.467  1.8374 -1.763390      2.617567  
1 1 1 -3  -15 3  o 47.975  1.1600 113.625  5.4929  112.086  5.5394  204.155  42.478  47.649  1.1778 63.610  6.8750 -15.96085      6.975138  
1 1 1 -3  -15 4  o 72.952  1.9412 262.890  13.978  368.109  63.990  257.618  14.324  85.428  7.6707 72.214  2.0096 13.21376       7.929555  
1 1 1 -3  -15 5  o 201.141 2.4109 1999.67  47.865  2183.03  67.762  1817.06  67.622  210.028 3.2687 191.564 3.5763 18.46428       4.845059  
1 1 1 -3  -15 6  o 136.386 3.5430 921.341  47.695  921.341  47.695  0.0000   0.0000  136.386 3.5430 ?       ?      0.000000       3.542984  
1 1 1 -3  -15 7  o 88.897  6.3108 397.257  55.015  397.395  78.007  397.121  77.600  88.058  9.1064 88.045  9.0587 0.1339722E-01  12.84471  
1 1 1 -3  -15 8  o 102.216 6.3346 526.290  63.595  515.782  89.973  536.782  89.902  100.071 9.2124 102.196 9.0045 -2.125427      12.88213  
1 1 1 -3  -15 9  o 27.823  7.0291 40.682   19.311  37.017   27.312  44.347   27.307  27.188  8.8630 29.191  8.7703 -2.003643      12.46881  
1 1 1 -3  -15 10 o 91.397  6.3628 424.081  57.042  392.185  80.586  456.109  80.753  86.353  9.6181 93.621  8.8436 -7.267921      13.06592  
1 1 1 -3  -15 11 o 28.102  7.1913 41.767   20.030  38.831   28.706  44.552   27.962  27.700  9.0891 29.164  8.9004 -1.463173      12.72124  
1 1 1 -3  -14 1  o 111.927 1.4469 618.528  15.985  648.553  22.714  589.067  22.500  114.590 2.0082 109.205 2.0874 5.385101       2.896586  
1 1 1 -3  -14 2  o 88.690  1.1873 388.313  10.394  388.655  14.659  387.968  14.739  88.716  1.6740 88.638  1.6846 0.7875061E-01  2.374960  
1 1 1 -3  -14 3  o 80.057  1.0607 316.380  8.3816  324.386  11.928  308.571  11.780  81.054  1.4909 79.053  1.5097 2.000946       2.121808  
1 1 1 -3  -14 4  o 90.698  6.1995 411.230  55.167  414.433  77.997  408.022  78.038  90.461  8.8487 89.731  8.9297 0.7298431      12.57132  
1 1 1 -3  -14 5  o 81.331  1.0396 326.529  8.3455  338.136  11.756  314.737  11.850  82.755  1.4392 79.838  1.5037 2.916367       2.081441  
1 1 1 -3  -14 6  o 101.221 6.3150 512.449  62.778  506.260  87.989  518.866  89.597  99.922  9.0187 101.152 9.0703 -1.230820      12.79088  
1 1 1 -3  -14 7  f 115.869 13.240 701.399  148.702 0.0000   0.0000  701.399  148.702 ?       ?      115.869 13.240 0.000000       13.23986  
1 1 1 -3  -14 8  o 78.302  6.2519 308.248  47.916  329.526  67.958  287.211  67.571  80.307  8.7133 74.711  9.3691 5.595825       12.79458  
1 1 1 -3  -14 9  o 82.632  7.2863 346.579  58.819  369.255  102.609 335.482  71.783  82.984  12.950 80.639  9.1825 2.345833       15.87528  
1 1 1 -3  -14 10 o 14.066  5.5750 5.4126   11.515  12.188   16.358  -1.2417  16.212  17.983  6.7723 14.479  6.2416 3.504548       9.209814  
1 1 1 -3  -14 11 o 80.840  6.4427 332.082  50.981  347.552  72.344  316.822  71.853  81.562  9.1438 77.625  9.5813 3.936279       13.24424  
1 1 1 -3  -14 12 f 42.739  6.8625 94.863   27.970  99.939   39.813  89.917   39.303  43.027  9.6165 40.715  9.8802 2.311714       13.78753  
1 1 1 -3  -13 1  o 325.061 3.8637 5227.68  123.966 5414.07  175.370 5041.52  175.260 330.422 5.3772 318.795 5.5698 11.62662       7.741858  
1 1 1 -3  -13 2  o 112.204 1.4238 621.556  15.769  609.392  22.224  633.890  22.378  111.079 2.0270 113.291 2.0012 -2.211746      2.848450  
1 1 1 -3  -13 3  o 102.443 8.8899 529.605  88.999  503.278  125.520 556.222  126.210 98.538  13.241 103.905 12.561 -5.366806      18.25103  
1 1 1 -3  -13 4  o 51.031  0.7044 128.531  3.5479  124.387  5.0039  132.721  5.0311  50.199  1.0099 51.853  0.9830 -1.654655      1.409328  
1 1 1 -3  -13 5  o 77.983  0.9742 300.182  7.4982  296.250  10.496  304.280  10.715  77.463  1.3728 78.505  1.3828 -1.042671      1.948548  
1 1 1 -3  -13 6  o 101.335 6.2745 512.956  62.450  493.655  88.973  531.697  87.676  98.710  9.2395 102.608 8.7402 -3.898514      12.71849  
1 1 1 -3  -13 7  o 69.895  6.1637 245.027  42.087  253.825  59.606  236.279  59.435  70.593  8.7414 67.988  9.0839 2.605125       12.60671  
1 1 1 -3  -13 8  o 25.529  8.2818 31.759   23.858  26.602   33.236  37.242   34.269  26.010  9.6808 28.538  9.9285 -2.527296      13.86702  
1 1 1 -3  -13 9  o 186.511 6.9845 1742.27  128.580 1703.21  181.777 1781.38  181.901 182.691 10.120 186.985 9.8910 -4.293640      14.15100  
1 1 1 -3  -13 10 o 30.966  7.8540 50.280   24.042  74.939   44.094  39.847   28.680  37.699  11.102 28.243  9.0717 9.456154       14.33665  
1 1 1 -3  -13 11 o 54.815  6.3718 153.085  33.831  154.184  47.716  151.974  47.974  54.118  9.2662 53.674  9.3978 0.4441147      13.19775  
1 1 1 -3  -13 12 o 76.247  9.2392 304.085  68.113  304.016  96.319  304.155  96.333  73.885  13.712 73.903  13.711 -0.1807404E-01 19.39134  
1 1 1 -3  -13 13 o 117.224 6.4955 697.263  74.863  733.476  106.276 661.597  105.472 118.676 9.1432 112.380 9.6007 6.295700       13.25786  
1 1 1 -3  -12 1  o 168.127 2.0852 1395.80  34.604  1385.29  48.928  1406.31  48.946  167.446 2.9604 168.713 2.9392 -1.267090      4.171702  
1 1 1 -3  -12 2  o 96.802  6.1568 466.911  58.521  465.861  82.659  467.967  82.862  96.217  8.8013 96.436  8.8023 -0.2190323     12.44761  
1 1 1 -3  -12 3  o 53.832  6.1772 145.782  32.228  144.438  45.479  147.138  45.676  53.032  9.0107 53.549  8.9583 -0.5164566     12.70608  
1 1 1 -3  -12 4  o 24.235  0.7445 28.989   1.7809  30.631   2.6163  27.571   2.4311  24.910  1.0641 23.634  1.0422 1.276730       1.489403  
1 1 1 -3  -12 5  o 108.742 1.8813 583.963  20.193  560.001  28.491  608.147  28.623  106.449 2.7116 110.936 2.6140 -4.487022      3.766445  
1 1 1 -3  -12 6  o 47.454  6.3103 113.926  28.824  106.476  41.063  121.162  40.470  45.233  9.4998 48.466  8.7833 -3.233337      12.93803  
1 1 1 -3  -12 7  f 156.816 6.6057 1224.43  102.245 1216.91  144.615 1231.94  144.576 155.337 9.4773 156.319 9.4142 -0.9818115     13.35839  
1 1 1 -3  -12 8  o 143.178 6.5062 1021.08  91.946  1014.48  130.056 1027.67  130.007 141.734 9.3491 142.679 9.2820 -0.9450836     13.17431  
1 1 1 -3  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -12 10 o 108.476 6.3337 589.548  67.520  608.398  95.629  570.809  95.346  109.408 8.9334 105.853 9.2178 3.555046       12.83638  
1 1 1 -3  -12 11 o 24.560  7.1230 30.974   18.276  33.078   26.962  29.186   24.858  26.243  8.8152 24.868  8.4638 1.375143       12.22065  
1 1 1 -3  -12 12 o 80.763  6.3370 329.919  50.110  356.235  70.804  303.510  70.930  83.050  8.7701 76.239  9.6414 6.811562       13.03344  
1 1 1 -3  -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -12 14 o 31.205  7.1712 51.394   21.624  59.607   31.358  43.947   29.860  33.385  9.2144 29.193  9.2438 4.191864       13.05190  
1 1 1 -3  -11 1  o 304.724 8.3975 4613.44  252.576 4602.47  357.195 4624.40  357.198 303.333 11.930 304.065 11.902 -0.7317200     16.85179  
1 1 1 -3  -11 2  o 219.202 7.2484 2385.48  156.826 2411.21  221.792 2359.75  221.780 219.736 10.226 217.351 10.338 2.385300       14.54106  
1 1 1 -3  -11 3  o 85.900  1.0899 364.219  9.2412  360.092  13.094  368.315  13.044  85.405  1.5533 86.375  1.5300 -0.9700546     2.180300  
1 1 1 -3  -11 4  o 106.462 1.3110 559.507  13.777  565.765  19.472  553.235  19.494  107.041 1.8430 105.849 1.8658 1.192703       2.622627  
1 1 1 -3  -11 5  o 99.178  2.2649 485.865  22.172  593.746  84.900  477.969  22.969  108.809 7.9604 98.364  2.3658 10.44437       8.304490  
1 1 1 -3  -11 6  o 152.148 9.4399 1165.16  141.064 1251.76  197.031 1074.09  202.054 156.442 12.874 144.206 14.388 12.23529       19.30661  
1 1 1 -3  -11 7  o 108.560 6.2293 587.763  66.468  567.648  93.984  607.893  94.018  106.059 9.0649 109.862 8.7425 -3.803070      12.59382  
1 1 1 -3  -11 8  o 27.795  6.6758 39.994   18.085  42.741   25.712  37.305   25.443  28.956  8.4634 27.370  8.5132 1.586470       12.00438  
1 1 1 -3  -11 9  o 187.946 6.9386 1761.11  128.718 1705.18  181.913 1817.19  182.158 183.654 10.074 189.744 9.7593 -6.089951      14.02585  
1 1 1 -3  -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -11 11 o 146.914 6.7038 1079.27  97.211  1074.97  137.547 1083.55  137.408 145.321 9.6442 145.924 9.5936 -0.6037140     13.60317  
1 1 1 -3  -11 12 o 90.300  6.3549 410.448  56.280  422.602  80.494  398.824  78.721  90.720  9.1125 88.077  9.1904 2.642410       12.94224  
1 1 1 -3  -11 13 o 91.849  6.3207 426.098  56.953  412.157  80.703  439.930  80.386  89.152  9.3084 92.305  8.9350 -3.152351      12.90271  
1 1 1 -3  -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -11 15 o 44.846  6.6899 103.927  28.707  100.890  40.516  106.989  40.680  43.238  9.7287 44.614  9.5277 -1.376377      13.61707  
1 1 1 -3  -10 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -10 2  o 97.208  1.2355 466.402  11.854  460.715  16.723  472.145  16.806  96.607  1.7538 97.798  1.7410 -1.191277      2.471226  
1 1 1 -3  -10 3  o 28.264  0.5599 39.425   1.5619  42.142   2.0417  35.593   2.4250  29.221  0.7079 26.854  0.9149 2.366837       1.156775  
1 1 1 -3  -10 4  o 157.951 1.9521 1231.84  30.433  1257.67  43.004  1205.93  43.074  159.562 2.7305 156.242 2.7931 3.319855       3.906056  
1 1 1 -3  -10 5  o 163.979 6.6433 1335.69  107.523 1332.82  152.054 1338.56  152.068 162.988 9.4928 163.346 9.4725 -0.3577728     13.41049  
1 1 1 -3  -10 6  o 239.923 7.5325 2867.66  178.379 2898.13  252.312 2837.21  252.220 240.077 10.648 237.494 10.760 2.583069       15.13741  
1 1 1 -3  -10 7  o 72.491  6.0914 262.836  43.181  247.826  61.022  277.890  61.111  69.802  9.0715 74.101  8.5096 -4.299736      12.43809  
1 1 1 -3  -10 8  o 80.617  6.1396 324.790  48.487  322.118  68.551  327.464  68.591  79.749  8.8584 80.434  8.7823 -0.6847000     12.47399  
1 1 1 -3  -10 9  o 63.806  6.2565 204.327  38.896  189.732  54.391  219.601  55.644  60.825  9.3598 65.661  8.8079 -4.835815      12.85242  
1 1 1 -3  -10 10 o 154.200 6.5801 1184.06  100.150 1090.50  141.402 1278.23  141.865 146.875 9.8103 159.335 9.0580 -12.45995      13.35248  
1 1 1 -3  -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -10 12 o 94.073  6.2922 443.801  58.088  445.751  82.230  441.860  82.069  93.509  9.0212 93.087  9.0464 0.4216461      12.77572  
1 1 1 -3  -10 13 o 25.777  6.9563 34.526   18.109  33.774   25.747  35.262   25.476  26.247  8.6078 26.624  8.5497 -0.3766479     12.13221  
1 1 1 -3  -10 14 o 104.637 6.3616 552.705  65.390  521.851  92.376  583.694  92.576  100.328 9.4393 106.429 8.8942 -6.100441      12.96948  
1 1 1 -3  -10 15 o 36.589  6.9077 69.797   24.033  68.624   33.909  70.981   34.066  35.812  9.4540 36.411  9.4107 -0.5991020     13.33936  
1 1 1 -3  -10 16 o 38.907  6.8609 78.913   25.384  75.531   35.773  82.343   36.026  37.387  9.6340 39.064  9.4469 -1.677582      13.49289  
1 1 1 -3  -9  1  o 105.197 1.3072 546.204  13.573  516.902  18.920  577.272  19.482  102.330 1.8732 108.142 1.8252 -5.811287      2.615424  
1 1 1 -3  -9  2  o 201.022 2.5557 1995.19  50.710  1968.18  71.709  2022.22  71.721  199.611 3.6396 202.335 3.5912 -2.724274      5.113071  
1 1 1 -3  -9  3  o 181.221 2.2402 1621.41  40.071  1616.62  56.649  1626.20  56.688  180.918 3.1723 181.454 3.1651 -0.5355682     4.481276  
1 1 1 -3  -9  4  o 132.035 1.8539 860.653  24.161  836.286  29.931  906.229  40.934  130.140 2.3301 135.447 3.0618 -5.307098      3.847577  
1 1 1 -3  -9  5  o 124.965 6.3186 776.323  77.684  750.581  109.843 802.083  109.880 122.379 9.1599 126.593 8.8494 -4.213692      12.73643  
1 1 1 -3  -9  6  o 117.193 6.2670 683.527  72.230  701.989  102.207 665.108  102.089 118.292 8.8171 115.072 9.0616 3.220123       12.64332  
1 1 1 -3  -9  7  o 117.524 6.3450 688.048  73.329  705.290  104.641 671.410  102.791 118.437 9.0190 115.524 9.0880 2.912285       12.80366  
1 1 1 -3  -9  8  o 61.446  6.1311 189.359  36.688  182.409  51.770  196.371  52.000  59.729  9.0661 62.092  8.7254 -2.363426      12.58282  
1 1 1 -3  -9  9  o 36.074  6.5506 66.686   22.465  64.972   31.591  68.439   31.953  35.356  9.0225 36.271  8.9742 -0.9147949     12.72565  
1 1 1 -3  -9  10 o 147.641 6.5392 1084.46  95.294  1102.53  134.828 1066.42  134.705 147.990 9.2772 145.490 9.4311 2.499710       13.22919  
1 1 1 -3  -9  11 o 135.142 6.5029 909.243  86.743  868.532  121.610 951.409  123.764 131.127 9.4595 137.358 9.1815 -6.231506      13.18269  
1 1 1 -3  -9  12 o 59.320  6.3782 177.334  36.759  176.649  52.209  178.008  51.762  58.529  9.3522 58.792  9.2235 -0.2622299     13.13532  
1 1 1 -3  -9  13 o 52.316  6.4265 138.762  32.487  141.962  46.226  135.639  45.667  52.215  9.3107 50.982  9.4222 1.232861       13.24637  
1 1 1 -3  -9  14 o 81.387  6.3597 334.123  50.683  325.940  71.763  342.267  71.591  79.404  9.3345 81.498  9.0528 -2.093353      13.00326  
1 1 1 -3  -9  15 o 55.891  9.3887 164.543  49.957  154.753  70.110  174.641  71.203  52.752  13.430 56.194  13.082 -3.441658      18.74841  
1 1 1 -3  -9  16 o 93.252  6.4744 440.694  59.223  459.028  83.807  422.407  83.701  93.985  9.1503 89.911  9.5791 4.073273       13.24713  
1 1 1 -3  -8  1  o 79.575  0.9903 312.521  7.7782  280.833  10.832  346.251  11.176  75.430  1.4549 83.757  1.3518 -8.326721      1.986022  
1 1 1 -3  -8  2  o 68.405  0.9344 230.945  6.3087  227.615  7.6405  238.079  11.183  67.910  1.1399 69.450  1.6314 -1.540627      1.990178  
1 1 1 -3  -8  3  o 226.689 2.8947 2537.57  64.770  2495.51  88.250  2586.70  95.360  224.744 3.9782 228.798 4.2226 -4.053497      5.801467  
1 1 1 -3  -8  4  o 277.378 3.4685 3800.44  94.961  3862.30  128.387 3725.72  141.102 279.526 4.6533 274.483 5.2081 5.042816       6.984155  
1 1 1 -3  -8  5  o 365.331 9.3484 6640.46  337.100 6734.18  476.434 6546.51  477.030 366.445 13.172 361.212 13.380 5.233398       18.77572  
1 1 1 -3  -8  6  o 174.506 6.7420 1510.88  116.126 1543.65  164.266 1478.14  164.189 175.680 9.5084 171.850 9.7195 3.830200       13.59700  
1 1 1 -3  -8  7  o 204.091 7.1157 2070.38  143.342 2045.43  203.832 2094.79  201.619 201.835 10.265 204.587 9.9844 -2.752426      14.32014  
1 1 1 -3  -8  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -8  9  o 62.677  6.0569 196.857  37.004  206.715  52.423  187.067  52.240  63.782  8.5415 60.517  9.0212 3.264435       12.42336  
1 1 1 -3  -8  10 o 122.152 6.3380 743.572  76.154  755.354  107.701 731.792  107.696 122.533 8.9673 120.558 9.1178 1.974457       12.78857  
1 1 1 -3  -8  11 o 155.481 6.6021 1202.84  101.318 1203.46  143.334 1202.23  143.238 154.591 9.4388 154.513 9.4373 0.7847595E-01  13.34742  
1 1 1 -3  -8  12 o 27.347  8.8948 36.326   27.514  39.048   38.046  33.340   39.837  29.608  10.450 28.761  10.620 0.8471470      14.89911  
1 1 1 -3  -8  13 o 127.780 6.4985 816.396  81.691  796.843  116.573 835.263  114.512 125.320 9.4947 128.465 9.0896 -3.145363      13.14423  
1 1 1 -3  -8  14 o 107.501 6.3234 579.674  66.801  591.966  94.634  567.467  94.308  107.772 8.9780 105.438 9.1527 2.334251       12.82096  
1 1 1 -3  -8  15 o 34.647  6.8899 62.456   22.732  60.898   32.420  63.963   31.883  33.961  9.3676 34.761  9.1628 -0.7999153     13.10375  
1 1 1 -3  -8  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -8  17 o 14.427  5.7342 5.6166   12.213  12.856   17.569  -1.1536  16.989  18.532  7.0092 14.830  6.3913 3.702372       9.485626  
1 1 1 -3  -7  1  o 284.867 3.5491 4007.87  99.790  3810.36  148.482 4170.58  134.763 277.620 5.4186 290.510 4.6998 -12.88916      7.172810  
1 1 1 -3  -7  2  o 339.195 4.2319 5683.85  141.684 5698.68  212.681 5672.02  189.977 339.422 6.3483 338.704 5.6826 0.7180786      8.520127  
1 1 1 -3  -7  3  o 311.129 3.9084 4781.58  120.025 4701.26  179.407 4846.64  161.486 308.329 5.8951 313.129 5.2249 -4.799103      7.877295  
1 1 1 -3  -7  4  o 363.147 9.5944 6549.80  343.902 0.0000   0.0000  6549.80  343.902 ?       ?      363.147 9.5944 0.000000       9.594425  
1 1 1 -3  -7  5  o 152.403 9.2782 1157.66  138.905 1157.66  138.905 0.0000   0.0000  152.403 9.2782 ?       ?      0.000000       9.278181  
1 1 1 -3  -7  6  o 415.988 14.516 8707.62  596.036 8707.62  596.036 0.0000   0.0000  415.988 14.516 ?       ?      0.000000       14.51638  
1 1 1 -3  -7  7  o 153.460 6.5381 1168.10  99.033  1204.23  140.095 1132.02  140.013 155.173 9.1878 150.368 9.4822 4.805054       13.20336  
1 1 1 -3  -7  8  o 150.870 6.5712 1130.25  97.854  1137.49  137.402 1122.80  139.394 150.619 9.2876 149.587 9.4901 1.031174       13.27858  
1 1 1 -3  -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -7  10 o 50.332  6.1948 127.692  30.126  140.499  42.745  115.051  42.466  52.379  8.5639 47.119  9.4596 5.260433       12.76024  
1 1 1 -3  -7  11 o 145.858 6.4972 1057.77  93.538  1091.73  132.369 1023.90  132.196 147.377 9.1448 142.620 9.4443 4.756592       13.14615  
1 1 1 -3  -7  12 o 111.860 6.4447 624.435  70.854  654.272  101.277 595.830  99.163  113.902 9.0839 108.596 9.3422 5.306015       13.03052  
1 1 1 -3  -7  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -7  14 o 37.615  6.9792 72.926   24.958  67.828   35.454  77.934   35.141  36.012  9.7395 38.540  9.3363 -2.527794      13.49165  
1 1 1 -3  -7  15 o 61.807  6.3871 193.171  38.403  201.594  54.643  184.950  53.984  62.404  9.1424 59.615  9.4927 2.788719       13.17934  
1 1 1 -3  -7  16 o 85.166  6.2917 366.207  52.515  338.266  74.297  394.103  74.237  80.676  9.5132 87.492  8.7123 -6.816536      12.89985  
1 1 1 -3  -7  17 o 20.545  6.6116 20.805   15.229  20.164   23.120  21.296   20.239  22.022  8.0970 21.681  7.6251 0.3416710      11.12224  
1 1 1 -3  -7  18 o 112.511 6.4135 641.602  70.928  662.107  100.490 621.247  100.125 112.826 9.1011 109.090 9.3903 3.735252       13.07697  
1 1 1 -3  -6  1  o 134.739 1.6768 896.143  22.301  888.857  31.514  903.451  31.562  134.177 2.3796 135.274 2.3638 -1.097427      3.354097  
1 1 1 -3  -6  2  o 377.198 4.4179 7029.86  164.481 7048.84  232.604 7010.87  232.618 377.488 6.2428 376.468 6.2601 1.020569       8.840912  
1 1 1 -3  -6  3  o 304.846 3.6072 4589.65  108.539 4492.45  153.476 4686.90  153.519 301.487 5.1575 307.953 5.0506 -6.465088      7.218615  
1 1 1 -3  -6  4  o 260.418 4.3621 3350.57  112.123 3286.35  173.129 3396.97  147.152 257.708 6.8063 262.115 5.6877 -4.406158      8.869931  
1 1 1 -3  -6  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -6  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -6  7  o 116.698 13.288 691.783  150.326 691.783  150.326 0.0000   0.0000  116.698 13.288 ?       ?      0.000000       13.28782  
1 1 1 -3  -6  8  o 138.869 9.1416 965.430  124.602 965.430  124.602 0.0000   0.0000  138.869 9.1416 ?       ?      0.000000       9.141591  
1 1 1 -3  -6  9  o 186.169 8.0307 1726.57  147.568 1745.40  181.469 1689.82  253.550 186.481 9.8944 181.864 14.239 4.617065       17.33885  
1 1 1 -3  -6  10 o 76.652  6.0999 293.512  45.769  273.851  64.684  313.227  64.771  73.463  9.1166 78.777  8.4626 -5.314491      12.43898  
1 1 1 -3  -6  11 o 69.622  6.1369 242.574  41.741  266.195  58.701  218.415  59.367  72.554  8.3491 65.384  9.4750 7.170128       12.62865  
1 1 1 -3  -6  12 o 146.127 6.5686 1061.94  94.740  1055.76  135.005 1067.95  132.984 144.803 9.4985 145.700 9.2956 -0.8975525     13.29020  
1 1 1 -3  -6  13 o 172.377 6.7747 1479.62  115.267 1486.20  163.023 1473.05  163.001 171.715 9.6577 170.936 9.7010 0.7789917      13.68871  
1 1 1 -3  -6  14 o 113.135 6.3348 639.414  70.456  639.924  99.809  638.907  99.471  112.475 9.0675 112.392 9.0431 0.8285522E-01  12.80615  
1 1 1 -3  -6  15 o 195.250 7.1712 1909.75  138.202 1923.00  193.017 1895.82  197.973 194.276 10.101 192.684 10.448 1.592148       14.53243  
1 1 1 -3  -6  16 o 217.122 7.3645 2375.38  157.827 2408.44  223.323 2342.39  223.078 216.380 10.456 213.275 10.597 3.104980       14.88737  
1 1 1 -3  -6  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -6  18 o 82.647  6.2639 345.875  50.718  362.283  72.096  329.799  71.363  83.557  8.8776 79.513  9.2668 4.044785       12.83295  
1 1 1 -3  -5  1  o 279.928 3.6625 3872.29  101.193 3739.72  143.077 4004.99  143.141 274.901 5.2730 284.509 5.0972 -9.608002      7.333947  
1 1 1 -3  -5  2  o 192.620 3.1492 1832.38  59.873  1863.77  84.640  1800.95  84.707  194.197 4.4157 190.891 4.4957 3.305923       6.301586  
1 1 1 -3  -5  3  o 188.293 2.2925 1750.27  42.607  1743.80  60.245  1756.74  60.265  187.916 3.2481 188.612 3.2371 -0.6961975     4.585739  
1 1 1 -3  -5  4  o 123.499 1.7183 752.839  20.946  752.244  35.572  753.154  25.915  123.432 2.9197 123.520 2.1256 -0.8821106E-01 3.611515  
1 1 1 -3  -5  5  o 249.110 7.5834 3072.65  186.461 3049.24  263.687 3096.07  263.705 247.744 10.783 249.652 10.702 -1.907562      15.19226  
1 1 1 -3  -5  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -5  7  o 216.898 10.406 2341.24  222.771 0.0000   0.0000  2341.24  222.771 ?       ?      216.898 10.406 0.000000       10.40563  
1 1 1 -3  -5  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -5  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -5  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -5  11 o 87.299  8.8160 384.579  74.924  384.579  74.924  0.0000   0.0000  87.299  8.8160 ?       ?      0.000000       8.816038  
1 1 1 -3  -5  12 o 103.207 6.2491 531.102  63.359  534.783  89.619  527.424  89.587  103.031 8.8998 102.300 8.9627 0.7309341      12.63077  
1 1 1 -3  -5  13 o 132.056 6.4076 867.099  83.519  827.375  118.066 906.886  118.161 128.120 9.4020 134.288 8.9662 -6.168106      12.99191  
1 1 1 -3  -5  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -5  15 o 69.477  6.3410 242.536  43.005  232.479  60.785  252.615  60.851  67.291  9.4091 70.311  8.9727 -3.020149      13.00157  
1 1 1 -3  -5  16 o 117.036 6.4476 687.150  74.195  667.941  104.076 707.001  105.800 114.388 9.2985 117.756 9.1751 -3.367760      13.06308  
1 1 1 -3  -5  17 o 76.686  6.2938 297.022  47.219  301.022  66.956  293.065  66.600  76.288  9.0698 75.227  9.1584 1.060791       12.88947  
1 1 1 -3  -5  18 o 51.337  6.4438 134.678  31.933  136.426  45.442  132.973  44.883  50.757  9.4171 50.092  9.4236 0.6646576      13.32238  
1 1 1 -3  -5  19 o 63.273  6.3235 203.878  38.963  198.211  55.103  209.544  55.102  61.266  9.4134 63.153  9.1027 -1.886887      13.09469  
1 1 1 -3  -4  1  o 126.696 2.1300 792.614  26.637  835.893  109.492 789.891  27.462  129.295 8.6292 126.476 2.1998 2.819328       8.905145  
1 1 1 -3  -4  2  o 142.117 1.8080 997.089  25.362  1018.62  35.874  975.570  35.860  143.621 2.5306 140.552 2.5849 3.069809       3.617402  
1 1 1 -3  -4  3  o 28.903  0.1709 41.227   0.4874  42.055   0.6491  40.156   0.7382  29.191  0.2253 28.525  0.2622 0.6666737      0.3456722 
1 1 1 -3  -4  4  o 138.340 1.6945 944.653  23.137  970.718  32.732  918.623  32.710  140.225 2.3649 136.409 2.4294 3.815811       3.390411  
1 1 1 -3  -4  5  o 201.600 2.4465 2006.44  48.683  1981.94  68.852  2030.93  68.843  200.332 3.4820 202.795 3.4393 -2.462494      4.894226  
1 1 1 -3  -4  6  o 104.355 1.2601 537.491  12.979  553.819  18.346  521.129  18.365  105.924 1.7548 102.749 1.8109 3.174316       2.521598  
1 1 1 -3  -4  7  o 146.034 1.7996 1052.69  25.939  1074.33  36.690  1031.07  36.677  147.512 2.5199 144.510 2.5714 3.001572       3.600265  
1 1 1 -3  -4  8  o 241.567 3.3833 2882.67  80.671  2928.09  102.655 2809.34  130.443 243.393 4.2731 238.281 5.5462 5.111420       7.001434  
1 1 1 -3  -4  9  o 91.972  1.2921 417.539  11.730  408.564  20.666  421.804  14.247  90.960  2.3018 92.437  1.5615 -1.476639      2.781471  
1 1 1 -3  -4  10 o 295.112 4.1935 4308.44  122.151 4197.50  226.531 4353.92  145.044 290.398 7.9032 296.524 4.9557 -6.125610      9.328402  
1 1 1 -3  -4  11 o 253.199 3.8340 3171.19  95.819  3007.91  165.965 3252.83  117.353 245.980 6.8357 256.301 4.6388 -10.32034      8.261086  
1 1 1 -3  -4  12 o 115.305 8.9995 668.816  101.612 668.816  101.612 0.0000   0.0000  115.305 8.9995 ?       ?      0.000000       8.999472  
1 1 1 -3  -4  13 f 112.671 2.7321 627.331  30.383  719.120  98.535  617.686  31.940  119.692 8.3936 111.793 2.8946 7.899147       8.878654  
1 1 1 -3  -4  14 o 68.069  0.8551 228.698  5.7454  236.303  8.2436  221.515  8.0118  69.187  1.2072 66.987  1.2117 2.199913       1.710417  
1 1 1 -3  -4  15 o 115.421 1.4571 657.777  16.600  657.192  23.564  658.353  23.389  115.343 2.0698 115.445 2.0526 -0.1027908     2.915023  
1 1 1 -3  -4  16 o 91.136  1.1864 410.068  10.672  415.542  15.286  404.862  14.907  91.724  1.6884 90.538  1.6681 1.185478       2.373411  
1 1 1 -3  -4  17 o 158.064 2.2433 1235.32  34.998  1236.36  58.958  1234.75  43.490  157.859 3.7839 157.947 2.7896 -0.8782959E-01 4.701015  
1 1 1 -3  -4  18 o 29.729  1.1385 43.645   3.3408  40.439   5.1894  45.915   4.3658  28.543  1.8520 30.487  1.4508 -1.944132      2.352631  
1 1 1 -3  -4  19 o 14.612  2.8960 10.952   4.0290  10.364   5.3003  11.758   6.2010  14.186  3.7343 15.116  4.0670 -0.9299707     5.521406  
1 1 1 -3  -3  1  o 138.859 1.7144 951.920  23.497  923.780  33.214  980.115  33.246  136.767 2.4604 140.879 2.3909 -4.111252      3.430727  
1 1 1 -3  -3  2  f 478.228 11.257 11453.13 531.386 11217.98 751.472 11688.31 751.516 469.647 16.211 479.685 15.873 -10.03802      22.68774  
1 1 1 -3  -3  3  o 202.352 2.4599 2021.90  49.131  2035.74  69.486  2008.07  69.477  202.987 3.4681 201.601 3.4915 1.386154       4.921269  
1 1 1 -3  -3  4  o 140.820 1.7285 978.855  24.025  1009.19  33.997  948.595  33.957  142.972 2.4091 138.612 2.4819 4.360046       3.458841  
1 1 1 -3  -3  5  o 211.896 2.5847 2216.70  54.059  2167.30  76.490  2266.00  76.412  209.481 3.6993 214.201 3.6142 -4.720276      5.171784  
1 1 1 -3  -3  6  o 236.642 2.8714 2764.93  67.068  2731.82  94.841  2798.05  94.856  235.166 4.0859 238.002 4.0379 -2.836151      5.744467  
1 1 1 -3  -3  7  o 250.275 3.2869 3093.55  81.197  3043.60  114.823 3143.52  114.838 248.151 4.6879 252.197 4.6133 -4.046539      6.577152  
1 1 1 -3  -3  8  o 184.396 2.2670 1678.67  41.261  1666.52  58.313  1690.86  58.392  183.693 3.2162 185.031 3.1972 -1.337723      4.534976  
1 1 1 -3  -3  9  o 164.483 2.3035 1335.86  37.398  1385.11  46.487  1245.52  62.960  167.467 2.8124 158.743 4.0183 8.724213       4.904692  
1 1 1 -3  -3  10 o 215.699 2.6190 2298.07  55.759  2317.48  78.874  2278.67  78.837  216.519 3.6906 214.696 3.7203 1.823502       5.240346  
1 1 1 -3  -3  11 o 145.983 1.8883 1052.29  27.209  1051.20  38.508  1053.37  38.452  145.869 2.6746 146.020 2.6679 -0.1509705     3.777696  
1 1 1 -3  -3  12 o 159.749 2.0263 1260.28  31.951  1212.87  46.272  1303.49  44.171  156.654 2.9926 162.419 2.7553 -5.764725      4.067811  
1 1 1 -3  -3  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -3  14 o 88.315  8.9138 394.271  76.639  394.271  76.639  0.0000   0.0000  88.315  8.9138 ?       ?      0.000000       8.913832  
1 1 1 -3  -3  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -3  16 o 91.447  6.3675 418.761  57.116  414.034  80.884  423.462  80.665  90.222  9.2120 91.293  9.0720 -1.071228      12.92912  
1 1 1 -3  -3  17 o 115.425 2.7752 659.140  31.618  791.504  104.919 645.919  33.159  124.901 8.5621 114.244 2.9406 10.65735       9.053014  
1 1 1 -3  -3  18 o 106.131 1.4148 556.360  14.820  562.666  21.339  550.484  20.599  106.682 2.0265 105.526 1.9776 1.156761       2.831595  
1 1 1 -3  -3  19 o 77.471  1.3467 296.469  10.298  318.686  18.572  286.605  12.374  80.247  2.3447 76.154  1.6462 4.093056       2.864919  
1 1 1 -3  -3  20 o 35.871  1.1429 63.548   4.0466  57.913   5.3172  71.304   6.2379  34.232  1.5737 37.981  1.6639 -3.748974      2.290239  
1 1 1 -3  -2  1  o 134.383 1.6724 891.488  22.183  872.433  31.364  910.563  31.380  132.919 2.3906 135.794 2.3412 -2.875198      3.346091  
1 1 1 -3  -2  2  o 106.114 1.2878 555.822  13.488  565.672  19.092  546.007  19.058  107.040 1.8071 105.163 1.8361 1.877708       2.576175  
1 1 1 -3  -2  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  -2  4  o 255.712 3.0612 3229.44  77.265  3312.00  109.287 3146.94  109.251 258.870 4.2772 252.327 4.3866 6.542603       6.126691  
1 1 1 -3  -2  5  o 70.278  0.8173 243.758  5.6697  242.724  8.0627  244.769  7.9744  70.127  1.1648 70.422  1.1472 -0.2949142     1.634918  
1 1 1 -3  -2  6  o 114.222 1.4075 643.942  15.869  634.965  22.433  652.932  22.450  113.416 2.0039 115.010 1.9776 -1.593781      2.815442  
1 1 1 -3  -2  7  o 365.984 4.3109 6617.39  155.727 6742.22  220.241 6492.58  220.223 369.232 6.0432 362.317 6.1580 6.914551       8.627929  
1 1 1 -3  -2  8  o 84.715  1.1829 354.214  9.8913  343.092  12.189  375.660  16.926  83.373  1.4812 87.235  1.9658 -3.862679      2.461352  
1 1 1 -3  -2  9  o 99.903  1.2339 492.617  12.167  463.090  17.061  523.174  17.356  96.856  1.7846 102.949 1.7080 -6.092911      2.470259  
1 1 1 -3  -2  10 o 192.520 2.6737 1830.57  50.807  1755.53  63.397  1965.28  84.945  188.487 3.4076 199.355 4.3170 -10.86789      5.499832  
1 1 1 -3  -2  11 o 13.369  5.2214 5.2653   9.9697  10.047   14.288  0.7289   13.918  16.760  6.3253 13.957  5.8915 2.802950       8.644019  
1 1 1 -3  -2  12 o 164.805 13.751 1388.81  221.645 0.0000   0.0000  1388.81  221.645 ?       ?      164.805 13.751 0.000000       13.75116  
1 1 1 -3  -2  13 o 126.666 3.0774 793.068  38.475  0.0000   0.0000  793.068  38.475  ?       ?      126.666 3.0774 0.000000       3.077427  
1 1 1 -3  -2  14 o 104.651 1.8981 540.833  19.606  543.213  20.092  493.434  89.678  104.879 1.9409 98.820  9.3036 6.058861       9.503894  
1 1 1 -3  -2  15 o 77.838  1.0692 299.074  8.2144  303.637  11.630  294.531  11.603  78.421  1.5026 77.235  1.5221 1.185242       2.138785  
1 1 1 -3  -2  16 f 144.265 1.8702 1027.93  26.630  1023.05  36.869  1033.25  38.506  143.870 2.5963 144.577 2.6983 -0.7065277     3.744551  
1 1 1 -3  -2  17 o 121.249 1.6035 726.071  19.190  735.784  26.829  715.896  27.460  122.016 2.2277 120.350 2.3117 1.666824       3.210337  
1 1 1 -3  -2  18 o 57.477  1.0227 163.104  5.8020  153.059  8.0544  173.937  8.3648  55.667  1.4659 59.344  1.4281 -3.676571      2.046496  
1 1 1 -3  -2  19 o 40.574  1.1594 81.296   4.6432  74.767   5.6819  94.423   8.0560  38.902  1.4798 43.704  1.8675 -4.802002      2.382700  
1 1 1 -3  -2  20 o 74.923  1.4128 277.329  10.448  312.219  19.742  263.756  12.314  79.404  2.5189 73.048  1.7078 6.355446       3.043282  
1 1 1 -3  -1  1  o 255.872 3.3273 3234.27  84.033  3334.99  118.857 3133.61  118.824 259.706 4.6367 251.727 4.7824 7.978241       6.661079  
1 1 1 -3  -1  2  o 338.432 3.9349 5662.09  131.442 5629.73  185.886 5694.46  185.889 337.177 5.5854 339.116 5.5536 -1.939392      7.876469  
1 1 1 -3  -1  3  o 203.594 2.5460 2047.24  51.163  2170.02  72.394  1924.71  72.317  209.540 3.5003 197.323 3.7130 12.21689       5.102780  
1 1 1 -3  -1  4  o 45.099  0.6250 100.381  2.7821  100.506  2.7903  79.238   36.180  45.127  0.6264 39.126  9.4702 6.000584       9.490878  
1 1 1 -3  -1  5  o 13.504  0.8963 9.0402   1.1879  10.346   1.5469  7.1640   1.8546  14.437  1.0937 11.939  1.6153 2.497943       1.950758  
1 1 1 -3  -1  6  o 304.160 3.5979 4568.99  108.015 4490.96  152.804 4646.92  152.708 301.438 5.1357 306.636 5.0455 -5.197540      7.199530  
1 1 1 -3  -1  7  o 86.116  1.0479 366.017  8.9071  372.917  12.604  359.133  12.589  86.922  1.4691 85.300  1.4952 1.621780       2.096174  
1 1 1 -3  -1  8  o 502.340 13.389 12605.98 663.843 0.0000   0.0000  12605.98 663.843 ?       ?      502.340 13.389 0.000000       13.38859  
1 1 1 -3  -1  9  o 142.555 6.4707 1005.93  91.048  1015.97  127.852 995.590  129.689 142.769 9.1204 141.287 9.3526 1.482300       13.06341  
1 1 1 -3  -1  10 o 23.840  6.6872 28.939   16.374  31.208   23.081  26.641   23.233  25.385  8.1364 24.097  8.1826 1.288023       11.53936  
1 1 1 -3  -1  11 o 73.341  0.9269 265.487  6.7102  252.375  9.4444  278.854  9.5355  71.503  1.3382 75.161  1.2853 -3.658043      1.855490  
1 1 1 -3  -1  12 o 141.138 1.8384 983.579  25.610  938.612  36.165  1028.81  36.272  137.836 2.6582 144.313 2.5464 -6.477463      3.681094  
1 1 1 -3  -1  13 o 127.736 1.6096 805.590  20.294  772.765  28.650  838.646  28.751  125.077 2.3207 130.304 2.2354 -5.226791      3.222204  
1 1 1 -3  -1  14 o 176.746 2.4841 1543.37  43.335  1501.90  53.917  1619.06  72.836  174.299 3.1340 180.862 4.0801 -6.562820      5.144777  
1 1 1 -3  -1  15 o 89.582  1.2128 396.152  10.724  411.253  15.421  382.013  14.922  91.261  1.7120 87.956  1.7188 3.304382       2.425930  
1 1 1 -3  -1  16 o 174.249 2.2983 1500.12  39.529  1476.03  55.893  1524.21  55.911  172.745 3.2781 175.548 3.2268 -2.802887      4.599749  
1 1 1 -3  -1  17 o 146.170 1.9318 1055.43  27.871  1095.38  39.121  1014.26  39.718  148.846 2.6628 143.214 2.8098 5.632248       3.871061  
1 1 1 -3  -1  18 o 88.773  1.3018 389.143  11.407  405.919  16.043  371.992  16.222  90.643  1.7932 86.767  1.8941 3.876045       2.608272  
1 1 1 -3  -1  19 o 113.349 1.5911 634.792  17.802  639.553  24.951  629.855  25.406  113.712 2.2230 112.840 2.2811 0.8719940      3.185141  
1 1 1 -3  -1  20 o 12.656  3.5999 8.1543   4.7109  8.1563   5.9465  8.1510   7.7197  12.937  4.1282 13.518  4.7118 -0.5819092     6.264398  
1 1 1 -3  -1  21 o 55.115  1.5802 150.139  8.5966  151.225  10.174  147.431  16.073  55.298  1.8640 54.429  3.0035 0.8692856      3.534907  
1 1 1 -3  0   1  o 85.785  1.0149 363.215  8.5937  384.474  12.195  342.240  12.113  88.256  1.3999 83.267  1.4738 4.989113       2.032634  
1 1 1 -3  0   2  o 184.386 2.3512 1678.84  42.791  1643.12  63.800  1708.05  57.691  182.348 3.5448 185.941 3.1434 -3.593658      4.737755  
1 1 1 -3  0   3  o 97.041  1.2666 464.835  12.131  451.457  18.437  475.048  16.110  95.622  1.9535 98.095  1.6639 -2.472687      2.566026  
1 1 1 -3  0   4  o 202.596 2.4655 2026.97  49.303  1979.40  69.718  2074.56  69.733  200.135 3.5293 204.896 3.4480 -4.760574      4.934055  
1 1 1 -3  0   5  f 174.008 2.4293 1494.98  41.723  1479.83  51.945  1522.55  70.042  173.102 3.0403 175.535 4.0426 -2.433502      5.058223  
1 1 1 -3  0   6  o 362.385 9.2568 6513.72  331.104 6566.39  468.512 6461.16  467.992 362.941 13.078 359.996 13.171 2.945313       18.56096  
1 1 1 -3  0   7  o 143.461 6.4368 1018.02  91.146  993.277  127.963 1043.51  129.856 141.241 9.2297 144.796 9.1328 -3.555618      12.98441  
1 1 1 -3  0   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  0   9  o 446.821 5.1791 9870.61  228.414 9962.43  323.031 9778.80  323.022 448.501 7.2970 444.334 7.3653 4.167297       10.36793  
1 1 1 -3  0   10 o 325.346 3.8196 5230.44  122.658 4974.01  173.355 5487.50  173.573 317.052 5.5395 333.056 5.2800 -16.00357      7.652733  
1 1 1 -3  0   11 o 197.027 2.4200 1917.10  47.063  1904.19  66.553  1930.03  66.561  196.296 3.4350 197.625 3.4123 -1.329086      4.841740  
1 1 1 -3  0   12 o 117.589 1.4796 682.607  17.172  674.568  24.239  690.709  24.332  116.876 2.1012 118.266 2.0844 -1.390617      2.959671  
1 1 1 -3  0   13 o 113.676 1.4583 637.954  16.362  637.518  23.162  638.388  23.117  113.617 2.0654 113.695 2.0600 -0.7763672E-01 2.917086  
1 1 1 -3  0   14 o 145.978 1.8428 1052.29  26.552  1041.25  37.546  1063.34  37.556  145.166 2.6204 146.700 2.5937 -1.533707      3.686920  
1 1 1 -3  0   15 o 156.850 2.6566 1215.72  41.128  1187.46  143.110 1218.27  42.939  153.567 9.4879 157.005 2.7708 -3.437698      9.884225  
1 1 1 -3  0   16 o 183.424 2.3483 1662.28  42.515  1719.29  60.239  1605.70  60.013  186.445 3.2734 180.169 3.3747 6.276291       4.701412  
1 1 1 -3  0   17 o 121.327 1.6187 726.922  19.384  690.836  27.629  761.903  27.203  118.235 2.3675 124.178 2.2194 -5.942650      3.245136  
1 1 1 -3  0   18 o 109.013 1.5621 586.930  16.809  580.111  23.752  593.771  23.790  108.337 2.2212 109.607 2.1990 -1.269821      3.125585  
1 1 1 -3  0   19 o 75.372  2.1265 280.883  15.820  297.185  20.998  259.484  24.057  77.480  2.7457 72.343  3.3692 5.137489       4.346278  
1 1 1 -3  0   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  0   21 o 107.550 6.3825 585.997  67.451  603.577  95.698  568.642  95.084  107.758 9.0822 104.434 9.3223 3.323784       13.01503  
1 1 1 -3  1   1  o 330.533 4.0794 5399.46  133.091 5403.37  180.835 5394.85  196.588 330.453 5.5442 330.112 6.0334 0.3406067      8.193894  
1 1 1 -3  1   2  o 47.910  0.4809 113.283  2.2742  127.336  3.3584  101.382  3.0906  50.794  0.6699 45.323  0.6909 5.471275       0.9622908 
1 1 1 -3  1   3  o 165.023 2.2192 1344.76  36.147  1334.15  51.155  1355.34  51.084  164.322 3.1540 165.624 3.1248 -1.301743      4.439834  
1 1 1 -3  1   4  o 62.502  6.8996 196.168  41.855  195.543  51.251  197.419  72.529  62.111  8.5898 61.659  12.348 0.4516563      15.04188  
1 1 1 -3  1   5  o 230.842 7.3713 2642.33  167.956 2692.50  236.605 2591.38  238.456 232.499 10.310 228.032 10.594 4.466583       14.78324  
1 1 1 -3  1   6  o 238.508 7.4574 2817.27  175.558 2793.30  247.314 2841.60  249.251 237.074 10.569 239.116 10.561 -2.042130      14.94098  
1 1 1 -3  1   7  o 316.985 3.7391 4962.73  116.986 5033.53  165.507 4892.04  165.380 319.117 5.2545 314.593 5.3260 4.523743       7.481715  
1 1 1 -3  1   8  o 421.530 4.8812 8781.28  203.089 8855.75  287.212 8706.82  287.209 423.028 6.8786 419.446 6.9373 3.582184       9.769391  
1 1 1 -3  1   9  o 318.878 3.7733 5022.83  118.764 4987.25  167.885 5058.47  168.030 317.600 5.3555 319.864 5.3222 -2.263214      7.550271  
1 1 1 -3  1   10 o 201.488 2.5088 2004.56  49.895  1961.82  71.642  2044.80  69.529  199.274 3.6424 203.455 3.4623 -4.180984      5.025396  
1 1 1 -3  1   11 o 136.277 1.7210 916.812  23.149  929.602  32.783  904.093  32.693  137.203 2.4208 135.306 2.4480 1.896484       3.442771  
1 1 1 -3  1   12 o 33.730  0.7644 56.154   2.5449  60.188   3.6560  52.362   3.5446  34.920  1.0607 32.570  1.1026 2.349495       1.529978  
1 1 1 -3  1   13 o 240.569 3.1627 2860.74  75.098  2736.50  106.120 2985.38  106.289 235.082 4.5735 245.573 4.3851 -10.49057      6.336035  
1 1 1 -3  1   14 o 83.378  1.1243 343.165  9.2526  346.381  13.196  340.055  12.978  83.759  1.5961 82.990  1.5843 0.7681274      2.248899  
1 1 1 -3  1   15 o 140.425 1.7907 973.752  24.820  916.333  34.877  1032.67  35.330  136.178 2.5948 144.572 2.4758 -8.394409      3.586440  
1 1 1 -3  1   16 o 50.004  6.5996 126.570  31.777  127.490  45.631  125.703  44.279  49.552  9.6767 49.242  9.4538 0.3094101      13.52825  
1 1 1 -3  1   17 o 105.804 6.3864 559.555  66.383  552.512  94.029  566.553  93.731  104.424 9.2174 105.797 9.0634 -1.372826      12.92692  
1 1 1 -3  1   18 o 61.977  7.4284 195.125  44.537  183.521  77.451  200.857  54.437  58.371  13.681 62.466  9.0962 -4.095078      16.42933  
1 1 1 -3  1   19 o 144.860 2.6816 1038.42  38.342  1011.02  56.579  1061.69  52.140  142.697 4.0170 146.314 3.6104 -3.616852      5.401038  
1 1 1 -3  1   20 o 28.012  2.4205 39.123   6.6267  32.004   8.7672  48.611   10.121  25.128  3.6409 31.122  3.3474 -5.994305      4.945806  
1 1 1 -3  1   21 o 42.741  1.7487 90.312   7.3774  90.341   9.3840  90.265   11.937  42.667  2.2360 42.575  2.8572 0.9192657E-01  3.628113  
1 1 1 -3  1   22 o 65.980  1.5354 215.180  9.9992  212.062  13.134  219.479  15.422  65.463  2.0326 66.568  2.3472 -1.105034      3.105008  
1 1 1 -3  2   1  o 196.290 6.9077 1910.03  133.834 1874.92  189.257 1945.15  189.284 193.771 9.9287 197.658 9.7021 -3.887131      13.88196  
1 1 1 -3  2   2  o 207.592 7.0352 2138.13  144.151 2159.28  203.862 2116.98  203.859 208.071 9.9264 206.001 10.026 2.070023       14.10866  
1 1 1 -3  2   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  2   4  o 258.947 7.7107 3332.30  197.077 3445.68  278.755 3219.00  278.663 262.456 10.761 253.555 11.135 8.900208       15.48442  
1 1 1 -3  2   5  o 138.314 2.0472 944.503  27.949  929.738  36.862  964.470  42.866  137.208 2.7219 139.732 3.1080 -2.524567      4.131399  
1 1 1 -3  2   6  o 199.948 3.5470 1974.69  70.003  1908.69  193.611 1984.62  75.083  195.752 10.054 200.438 3.7951 -4.685898      10.74687  
1 1 1 -3  2   7  o 275.424 3.4144 3746.25  92.821  3724.89  137.423 3764.18  125.873 274.527 5.0716 276.005 4.6204 -1.478760      6.860696  
1 1 1 -3  2   8  o 129.395 1.6408 826.431  20.956  837.711  29.652  815.176  29.620  130.265 2.3062 128.501 2.3353 1.764526       3.282067  
1 1 1 -3  2   9  o 279.490 3.3430 3858.04  92.223  3835.72  130.401 3880.37  130.446 278.572 4.7425 280.191 4.7167 -1.619293      6.688729  
1 1 1 -3  2   10 o 105.129 1.3392 545.515  13.896  522.965  19.562  568.483  19.743  102.926 1.9256 107.312 1.8639 -4.386765      2.679930  
1 1 1 -3  2   11 o 229.769 2.7781 2607.48  63.005  2601.23  89.090  2613.72  89.114  229.405 3.9345 229.956 3.9262 -0.5509338     5.558356  
1 1 1 -3  2   12 o 212.641 2.6040 2233.46  54.654  2197.63  77.215  2269.44  77.371  210.833 3.7105 214.255 3.6586 -3.422302      5.210818  
1 1 1 -3  2   13 o 163.897 2.1500 1326.67  34.781  1268.22  49.116  1385.45  49.260  160.183 3.1065 167.433 2.9807 -7.250168      4.305197  
1 1 1 -3  2   14 o 217.178 2.9916 2331.37  64.128  2338.16  80.255  2319.38  106.654 217.399 3.7401 216.318 4.9952 1.081268       6.240218  
1 1 1 -3  2   15 o 38.187  6.9638 74.832   25.281  72.505   36.192  77.049   35.329  37.319  9.7266 38.446  9.3906 -1.127270      13.51994  
1 1 1 -3  2   16 o 43.508  6.7958 96.467   28.230  102.303  40.540  90.973   39.334  44.309  9.5508 41.731  9.7288 2.578747       13.63331  
1 1 1 -3  2   17 o 36.169  3.1945 65.208   11.287  65.208   11.287  0.0000   0.0000  36.169  3.1945 ?       ?      0.000000       3.194518  
1 1 1 -3  2   18 o 138.014 1.8489 940.903  25.187  929.007  35.527  952.924  35.714  137.075 2.6258 138.830 2.6063 -1.755142      3.699684  
1 1 1 -3  2   19 o 94.949  1.4851 445.266  13.918  447.630  19.994  443.044  19.386  95.162  2.1286 94.677  2.0744 0.4850006      2.972277  
1 1 1 -3  2   20 o 146.856 2.0077 1066.37  29.102  1059.04  41.417  1073.52  40.902  146.207 2.8700 147.214 2.8149 -1.006790      4.019988  
1 1 1 -3  2   21 o 92.728  1.5787 424.946  14.449  421.355  20.520  428.477  20.350  92.269  2.2531 93.050  2.2157 -0.7808990     3.160023  
1 1 1 -3  2   22 f 60.087  1.6756 178.495  9.9376  185.403  13.669  170.752  14.473  61.194  2.2631 58.705  2.4977 2.488224       3.370515  
1 1 1 -3  3   1  o 256.389 7.6748 3265.13  194.222 3323.67  274.692 3206.60  274.651 257.868 10.792 253.228 10.988 4.640656       15.40194  
1 1 1 -3  3   2  o 135.857 9.0221 923.447  120.295 902.554  170.135 944.334  170.111 133.307 13.099 136.475 12.777 -3.168152      18.29887  
1 1 1 -3  3   3  o 448.790 6.6072 9993.52  292.683 9940.99  413.908 10046.05 413.923 446.392 9.3941 448.770 9.3447 -2.378052      13.25034  
1 1 1 -3  3   4  o 217.970 2.6267 2346.63  56.512  2416.98  79.992  2276.53  79.848  221.130 3.6649 214.600 3.7697 6.530670       5.257585  
1 1 1 -3  3   5  o 99.934  1.2829 492.941  12.654  486.304  16.821  501.596  19.207  99.253  1.7170 100.798 1.9305 -1.544792      2.583581  
1 1 1 -3  3   6  o 163.786 2.0228 1324.28  32.702  1317.44  46.280  1331.09  46.214  163.340 2.8706 164.185 2.8517 -0.8444519     4.046292  
1 1 1 -3  3   7  o 262.210 7.7842 3405.26  201.463 3333.53  283.950 3477.97  285.882 258.956 11.109 264.535 10.949 -5.578247      15.59784  
1 1 1 -3  3   8  o 239.455 3.0248 2831.28  71.491  2840.41  106.015 2823.68  96.817  239.764 4.4797 239.079 4.1028 0.6846161      6.074583  
1 1 1 -3  3   9  o 273.681 3.5055 3699.56  94.694  3831.81  137.266 3579.48  130.804 278.411 4.9951 269.094 4.9247 9.316559       7.014552  
1 1 1 -3  3   10 o 181.155 2.3315 1620.23  41.690  1572.39  62.029  1659.66  56.302  178.414 3.5224 183.317 3.1116 -4.902817      4.699920  
1 1 1 -3  3   11 o 293.980 3.4750 4270.16  100.835 4208.69  142.579 4331.67  142.626 291.682 4.9524 295.923 4.8830 -4.240509      6.954816  
1 1 1 -3  3   12 o 67.758  1.0623 226.616  7.1048  235.522  10.153  218.069  9.9460  69.072  1.4892 66.463  1.5161 2.608742       2.125134  
1 1 1 -3  3   13 o 204.114 3.1189 2059.23  62.835  2044.85  76.846  2088.23  109.152 203.322 3.8291 205.239 5.3881 -1.916931      6.610165  
1 1 1 -3  3   14 o 192.634 7.0287 1847.26  133.643 1819.71  188.994 1874.82  189.004 190.065 10.111 192.988 9.9561 -2.922836      14.18972  
1 1 1 -3  3   15 o 166.630 6.6934 1381.80  110.086 1361.99  155.625 1401.64  155.746 164.433 9.6307 166.863 9.4956 -2.430511      13.52466  
1 1 1 -3  3   16 o 99.456  1.4542 488.372  14.275  463.816  20.025  513.744  20.355  96.902  2.0937 101.987 2.0220 -5.085289      2.910701  
1 1 1 -3  3   17 o 29.668  2.3014 43.750   6.6864  51.567   10.907  39.042   8.4633  32.093  3.4999 27.923  3.1242 4.169050       4.691488  
1 1 1 -3  3   18 o 129.668 1.7444 830.443  22.327  863.150  31.897  799.025  31.262  132.147 2.4455 127.140 2.4911 5.007118       3.490846  
1 1 1 -3  3   19 o 173.429 2.2367 1486.86  38.289  1447.59  53.952  1526.70  54.346  170.976 3.1970 175.596 3.1356 -4.620789      4.478031  
1 1 1 -3  3   20 o 45.208  1.6331 100.984  7.2874  95.086   10.055  107.512  10.577  43.779  2.3353 46.619  2.2986 -2.840355      3.276742  
1 1 1 -3  3   21 o 37.134  1.9857 68.395   7.2517  70.930   10.437  66.029   10.083  37.723  2.8236 36.388  2.8296 1.334667       3.997463  
1 1 1 -3  3   22 o 38.334  2.0310 72.909   7.6574  75.373   10.787  70.407   10.872  38.882  2.8301 37.554  2.9570 1.327816       4.093074  
1 1 1 -3  4   1  o 270.829 5.2672 3632.29  140.802 3705.32  243.878 3595.78  172.447 272.626 9.0630 269.227 6.4894 3.399933       11.14674  
1 1 1 -3  4   2  o 76.280  0.9243 287.194  6.9591  280.980  9.7995  293.516  9.8844  75.446  1.3159 77.111  1.2987 -1.664940      1.848842  
1 1 1 -3  4   3  o 39.824  0.8797 78.276   3.4579  69.970   4.8896  86.585   4.8908  37.649  1.3158 41.882  1.1831 -4.233009      1.769449  
1 1 1 -3  4   4  o 108.429 1.5579 580.375  16.673  609.098  23.542  551.474  23.615  111.066 2.1475 105.679 2.2640 5.387177       3.120464  
1 1 1 -3  4   5  o 331.965 4.0542 5446.21  132.840 5454.40  180.512 5436.55  196.196 332.018 5.5082 331.395 5.9981 0.6230774      8.143556  
1 1 1 -3  4   6  o 204.739 2.9085 2069.91  58.776  2069.74  78.541  2070.12  88.610  204.685 3.8876 204.675 4.3862 0.9231567E-02  5.861039  
1 1 1 -3  4   7  o 207.353 2.7967 2122.90  57.239  2105.77  80.942  2140.02  80.954  206.466 3.9718 208.140 3.9405 -1.673645      5.594887  
1 1 1 -3  4   8  o 225.500 3.5695 2511.46  79.449  2564.92  84.781  2126.20  227.607 227.877 3.7693 206.490 11.209 21.38734       11.82626  
1 1 1 -3  4   9  o 176.736 2.3169 1542.07  40.417  1558.82  59.369  1527.60  55.178  177.658 3.3856 175.877 3.1785 1.780502       4.643861  
1 1 1 -3  4   10 o 157.477 2.0598 1224.26  32.016  1206.78  43.044  1245.91  47.901  156.328 2.7896 158.833 3.0554 -2.504990      4.137281  
1 1 1 -3  4   11 o 175.625 2.1724 1522.90  37.658  1498.50  53.255  1547.30  53.258  174.172 3.0978 176.988 3.0487 -2.815903      4.346358  
1 1 1 -3  4   12 o 253.862 7.6975 3203.96  192.876 3146.40  272.617 3261.65  272.920 250.610 11.021 255.223 10.834 -4.612778      15.45428  
1 1 1 -3  4   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  4   14 o 116.546 1.5637 670.639  17.988  666.736  25.438  674.542  25.440  116.181 2.2182 116.860 2.2056 -0.6787491     3.128128  
1 1 1 -3  4   15 o 134.996 2.0178 900.088  26.886  932.432  33.490  841.446  45.094  137.374 2.4699 130.423 3.5029 6.951157       4.286123  
1 1 1 -3  4   16 o 199.445 2.6401 1965.91  51.973  1930.69  69.063  2011.90  78.920  197.539 3.5421 201.586 3.9664 -4.046600      5.317777  
1 1 1 -3  4   17 o 144.621 1.9018 1033.03  27.148  1020.38  38.362  1045.71  38.424  143.674 2.7052 145.449 2.6765 -1.775085      3.805441  
1 1 1 -3  4   18 o 130.415 2.4728 840.685  31.831  945.841  120.456 832.790  33.005  136.767 8.9728 129.792 2.5763 6.974304       9.335370  
1 1 1 -3  4   19 o 76.609  1.6084 289.883  12.162  306.027  22.064  282.837  14.577  78.644  2.8424 75.657  1.9520 2.986778       3.448139  
1 1 1 -3  4   20 o 15.283  3.9782 12.033   6.0593  10.419   8.3305  13.847   8.8295  14.814  4.8981 16.589  4.9879 -1.774581      6.990698  
1 1 1 -3  4   21 o 45.482  1.8322 102.278  8.2253  103.200  12.081  101.482  11.230  45.558  2.6986 45.197  2.5276 0.3613548      3.697417  
1 1 1 -3  4   22 o 102.523 2.5443 520.833  25.746  493.584  35.368  551.552  37.552  99.605  3.5975 105.288 3.6134 -5.682892      5.098876  
1 1 1 -3  4   23 o 54.572  7.8746 156.354  41.189  163.687  50.338  141.497  71.651  55.104  9.6041 49.218  14.053 5.885872       17.02148  
1 1 1 -3  5   1  o 192.929 2.4767 1838.30  47.164  1818.78  63.656  1862.07  70.227  191.842 3.3617 194.087 3.6658 -2.244690      4.973892  
1 1 1 -3  5   2  o 227.219 3.0374 2550.74  68.122  2562.66  96.331  2538.82  96.348  227.627 4.2875 226.564 4.3084 1.063538       6.078268  
1 1 1 -3  5   3  o 101.602 1.4679 509.582  14.721  520.192  20.845  499.026  20.793  102.643 2.0575 100.532 2.0954 2.110771       2.936727  
1 1 1 -3  5   4  o 166.033 2.0999 1361.06  34.413  1293.98  51.438  1415.41  46.300  161.842 3.2200 169.288 2.7709 -7.445679      4.248113  
1 1 1 -3  5   5  o 283.723 3.6900 3976.89  103.337 3964.52  146.124 3989.27  146.157 283.132 5.2288 284.016 5.2137 -0.8839417     7.383934  
1 1 1 -3  5   6  o 81.998  1.1421 331.857  9.2437  350.780  13.047  312.785  13.098  84.301  1.5680 79.603  1.6671 4.697166       2.288607  
1 1 1 -3  5   7  o 176.601 2.3176 1539.68  40.399  1602.37  57.167  1477.14  57.098  180.133 3.2153 172.946 3.3449 7.186859       4.639647  
1 1 1 -3  5   8  o 264.621 3.4678 3458.39  90.575  3407.75  134.716 3500.17  122.358 262.555 5.1984 266.135 4.6580 -3.580048      6.979942  
1 1 1 -3  5   9  o 221.439 3.9128 2422.47  85.521  2340.81  92.318  2916.55  227.087 217.652 4.2972 242.365 9.4927 -24.71315      10.42004  
1 1 1 -3  5   10 o 20.971  3.0329 22.171   6.0956  20.084   8.2304  24.706   9.0720  19.775  4.3361 21.976  4.3363 -2.201633      6.132311  
1 1 1 -3  5   11 o 148.005 6.4802 1085.48  94.668  1045.46  133.840 1125.55  133.921 144.626 9.4273 150.151 9.0789 -5.525940      13.08816  
1 1 1 -3  5   12 o 147.625 3.9953 1077.69  58.217  1095.88  133.515 1073.42  64.690  147.956 9.1879 147.297 4.4495 0.6591492      10.20861  
1 1 1 -3  5   13 o 93.016  1.4483 427.134  13.297  435.379  20.970  421.590  17.197  93.887  2.2628 92.400  1.8856 1.487434       2.945477  
1 1 1 -3  5   14 o 56.977  1.2016 160.259  6.7574  158.402  9.5785  162.100  9.5344  56.639  1.7134 57.296  1.6859 -0.6578674     2.403734  
1 1 1 -3  5   15 o 61.888  1.2159 189.077  7.4275  181.832  10.418  196.564  10.592  60.681  1.7394 63.092  1.7008 -2.411160      2.432803  
1 1 1 -3  5   16 o 110.413 1.6187 601.979  17.641  591.031  23.768  615.408  26.323  109.379 2.2015 111.602 2.3897 -2.222839      3.249178  
1 1 1 -3  5   17 o 128.883 1.7603 820.352  22.393  834.275  31.664  806.422  31.673  129.929 2.4691 127.738 2.5121 2.190376       3.522316  
1 1 1 -3  5   18 o 78.574  1.4506 304.853  11.250  283.491  16.107  325.203  15.721  75.746  2.1544 81.136  1.9630 -5.389549      2.914616  
1 1 1 -3  5   19 f 25.178  7.6300 32.088   20.602  29.946   29.067  34.250   29.205  25.866  9.1337 26.950  9.1740 -1.083580      12.94550  
1 1 1 -3  5   20 o 41.046  2.1368 83.531   8.6272  83.851   10.985  83.015   13.936  41.066  2.7256 40.762  3.4975 0.3044853      4.434167  
1 1 1 -3  5   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  5   22 o 84.674  2.0424 354.776  17.069  343.212  24.446  365.780  23.845  83.158  2.9782 85.875  2.8132 -2.716507      4.096854  
1 1 1 -3  5   23 o 28.112  2.8917 39.648   7.9095  45.156   10.898  33.517   11.498  29.863  3.7820 25.459  4.7503 4.404175       6.071972  
1 1 1 -3  6   1  o 125.975 1.6575 783.404  20.610  761.641  30.906  800.833  27.658  124.191 2.5212 127.355 2.2002 -3.164482      3.346286  
1 1 1 -3  6   2  o 246.465 3.2393 3000.93  78.803  2974.11  111.448 3027.75  111.439 245.235 4.6042 247.441 4.5628 -2.206238      6.482156  
1 1 1 -3  6   3  o 112.761 1.5553 627.644  17.310  614.637  24.504  640.603  24.457  111.574 2.2250 113.907 2.1753 -2.333488      3.111712  
1 1 1 -3  6   4  o 149.792 1.8352 1107.63  27.134  1079.66  38.366  1135.62  38.380  147.868 2.6287 151.654 2.5640 -3.786057      3.672094  
1 1 1 -3  6   5  o 248.082 2.9868 3039.24  73.137  3064.74  103.439 3013.75  103.424 249.044 4.2080 246.961 4.2429 2.083069       5.975707  
1 1 1 -3  6   6  o 146.973 1.7812 1066.26  25.840  1053.16  36.528  1079.39  36.559  146.051 2.5339 147.860 2.5050 -1.808609      3.563053  
1 1 1 -3  6   7  o 318.029 3.7497 4995.92  117.704 5054.67  166.472 4937.19  166.446 319.757 5.2746 316.012 5.3362 3.744263       7.503124  
1 1 1 -3  6   8  o 593.838 7.8534 17472.96 460.321 17201.01 650.943 17744.99 651.041 587.986 11.216 597.285 11.043 -9.299011      15.74017  
1 1 1 -3  6   9  o 119.313 7.2321 707.630  84.768  690.750  103.727 741.570  147.084 117.643 9.0012 121.322 12.460 -3.679649      15.37085  
1 1 1 -3  6   10 o 123.888 6.1932 759.797  75.732  664.554  106.750 856.301  107.454 115.248 9.4680 131.096 8.3477 -15.84805      12.62251  
1 1 1 -3  6   11 o 245.317 3.1110 2972.93  75.328  3023.41  111.548 2930.60  102.134 247.250 4.5708 243.461 4.2502 3.789719       6.241491  
1 1 1 -3  6   12 o 393.975 4.5948 7681.27  178.676 7643.37  252.688 7719.17  252.685 392.456 6.5232 394.409 6.4908 -1.952209      9.202328  
1 1 1 -3  6   13 o 97.901  1.4223 473.168  13.744  481.868  19.605  464.759  19.274  98.780  2.0107 97.011  2.0129 1.769501       2.845150  
1 1 1 -3  6   14 o 164.551 2.1913 1337.50  35.591  1346.57  48.046  1326.48  52.982  165.047 2.9493 163.780 3.2774 1.267410       4.409080  
1 1 1 -3  6   15 o 13.370  3.7601 9.0835   5.1698  10.670   7.4302  7.5944   7.1979  14.742  4.6031 13.097  4.5506 1.644891       6.472739  
1 1 1 -3  6   16 o 94.846  1.4296 444.155  13.383  432.894  18.771  455.797  19.087  93.615  2.0314 96.061  2.0130 -2.445305      2.859894  
1 1 1 -3  6   17 o 115.605 1.6842 659.993  19.218  663.364  27.139  656.603  27.218  115.862 2.3732 115.269 2.3923 0.5931091      3.369699  
1 1 1 -3  6   18 o 54.422  1.4338 146.245  7.7018  163.543  11.965  134.006  10.064  57.532  2.1070 52.083  1.9577 5.449680       2.876119  
1 1 1 -3  6   19 o 119.669 6.4737 718.085  76.182  713.778  107.705 722.398  107.769 118.327 9.2967 119.065 9.2426 -0.7382202     13.10933  
1 1 1 -3  6   20 o 31.644  7.5189 52.538   23.137  46.500   32.343  58.867   33.112  30.284  9.6238 33.467  9.5524 -3.183922      13.55968  
1 1 1 -3  6   21 o 28.691  2.4654 41.059   6.9142  41.426   10.392  40.768   9.2616  28.620  3.7705 28.459  3.3620 0.1607647      5.051707  
1 1 1 -3  6   22 o 70.352  1.5414 244.643  10.703  230.186  14.641  261.236  15.686  68.189  2.1754 72.641  2.1877 -4.452202      3.085194  
1 1 1 -3  6   23 o 54.228  1.8390 145.487  9.8430  156.317  14.382  135.943  13.501  56.141  2.5953 52.353  2.6126 3.788105       3.682616  
1 1 1 -3  7   1  o 78.807  1.1326 306.532  8.8098  318.821  12.429  294.123  12.489  80.368  1.5668 77.192  1.6392 3.176308       2.267549  
1 1 1 -3  7   2  f 295.896 3.6389 4325.14  106.278 4347.43  157.222 4306.39  144.219 296.488 5.3724 295.132 4.9508 1.355743       7.305719  
1 1 1 -3  7   3  o 321.780 4.1335 5116.26  131.283 5203.26  185.702 5029.32  185.624 324.312 5.8012 318.832 5.8984 5.479645       8.273198  
1 1 1 -3  7   4  o 326.292 4.8365 5262.76  155.765 5392.81  229.205 5151.15  212.331 330.004 7.0367 322.581 6.6687 7.422943       9.694704  
1 1 1 -3  7   5  o 159.606 1.9816 1257.52  31.218  1232.36  44.149  1282.67  44.148  157.980 2.8313 161.174 2.7751 -3.194366      3.964543  
1 1 1 -3  7   6  o 109.649 1.5976 593.455  17.291  596.941  24.347  589.909  24.559  109.962 2.2432 109.312 2.2762 0.6501846      3.195802  
1 1 1 -3  7   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  7   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  7   9  o 112.385 3.3621 623.859  37.295  702.894  98.423  610.607  40.301  118.731 8.4536 111.176 3.6725 7.554962       9.216903  
1 1 1 -3  7   10 o 249.089 4.2796 3066.91  105.217 2650.54  263.884 3145.62  114.732 230.114 11.656 252.234 4.6084 -22.11981      12.53411  
1 1 1 -3  7   11 o 310.054 4.1111 4753.11  125.814 4708.75  183.494 4792.47  172.839 308.277 6.0304 311.084 5.6290 -2.807709      8.249338  
1 1 1 -3  7   12 o 66.043  1.2141 215.302  7.9145  222.494  11.199  208.126  11.187  67.131  1.6901 64.926  1.7456 2.204674       2.429761  
1 1 1 -3  7   13 o 113.115 1.7416 631.783  19.445  612.179  30.931  644.595  25.004  111.300 2.8155 114.238 2.2175 -2.937782      3.583959  
1 1 1 -3  7   14 o 70.030  1.2495 242.106  8.6370  250.100  12.334  234.413  12.099  71.166  1.7559 68.898  1.7791 2.268578       2.499646  
1 1 1 -3  7   15 o 36.911  1.7881 67.282   6.5143  59.742   9.2317  74.759   9.1935  34.659  2.7204 38.822  2.4111 -4.162888      3.635112  
1 1 1 -3  7   16 o 255.170 3.3805 3221.59  85.143  3149.72  133.253 3271.19  110.684 251.822 5.3611 256.908 4.3649 -5.086380      6.913280  
1 1 1 -3  7   17 o 194.732 2.5502 1874.36  49.016  1883.06  66.389  1863.94  72.676  195.057 3.4483 194.006 3.7953 1.050858       5.127838  
1 1 1 -3  7   18 o 83.687  9.3206 357.719  75.682  340.275  107.190 375.059  106.871 79.924  14.103 84.328  13.279 -4.404228      19.37076  
1 1 1 -3  7   19 o 152.029 3.6493 1145.53  54.761  1269.31  147.059 1125.60  59.005  157.853 9.4825 150.642 3.9683 7.210510       10.27939  
1 1 1 -3  7   20 o 34.941  2.2150 60.617   7.5997  70.352   11.018  51.783   10.496  37.567  2.9963 32.144  3.3577 5.423180       4.500259  
1 1 1 -3  7   21 o 97.338  1.6244 468.279  15.606  464.976  22.040  471.600  22.101  96.923  2.3039 97.612  2.2939 -0.6891251     3.251144  
1 1 1 -3  7   22 o 118.680 1.8226 696.677  21.350  703.806  30.382  689.723  30.008  119.151 2.5834 117.954 2.5774 1.196884       3.649227  
1 1 1 -3  7   23 o 32.896  2.5936 54.004   8.3529  54.887   12.291  53.247   11.386  32.949  3.8522 32.494  3.6111 0.4551277      5.280104  
1 1 1 -3  8   1  o 127.683 1.9155 804.768  24.140  755.847  36.789  841.760  31.990  123.720 3.0126 130.574 2.4821 -6.854378      3.903444  
1 1 1 -3  8   2  o 167.645 2.3206 1387.51  38.400  1393.45  54.312  1381.57  54.300  167.974 3.2758 167.256 3.2891 0.7182922      4.642121  
1 1 1 -3  8   3  o 46.482  0.9632 106.635  4.4192  109.554  6.1090  103.431  6.4007  47.113  1.3137 45.777  1.4166 1.336060       1.931993  
1 1 1 -3  8   4  o 83.332  1.2006 342.745  9.8755  359.673  13.913  325.556  14.020  85.362  1.6513 81.211  1.7490 4.150269       2.405353  
1 1 1 -3  8   5  o 383.967 5.7271 7291.60  217.053 7347.15  306.956 7236.06  306.962 385.019 8.0772 382.085 8.1394 2.934357       11.46692  
1 1 1 -3  8   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  8   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  8   8  o 381.137 5.5169 7183.88  207.542 7253.24  257.640 7055.68  350.267 382.765 6.8194 376.982 9.4134 5.783325       11.62395  
1 1 1 -3  8   9  o 332.469 4.4504 5463.91  146.045 5439.73  217.482 5483.77  197.097 331.404 6.6486 332.854 5.9992 -1.449677      8.955136  
1 1 1 -3  8   10 o 180.648 2.4943 1611.49  44.475  1631.29  62.826  1591.60  62.969  181.701 3.5031 179.474 3.5546 2.227310       4.990664  
1 1 1 -3  8   11 o 226.216 7.3960 2542.17  165.141 2572.17  233.591 2512.19  233.497 226.813 10.434 224.119 10.555 2.693756       14.84200  
1 1 1 -3  8   12 o 76.191  1.4028 286.573  10.549  283.302  14.908  289.852  14.929  75.743  1.9941 76.614  1.9742 -0.8710175     2.806086  
1 1 1 -3  8   13 o 205.244 3.1509 2082.67  63.831  2136.97  110.648 2055.59  78.146  207.544 5.4013 203.811 3.8846 3.732880       6.653137  
1 1 1 -3  8   14 o 143.089 1.8772 1011.18  26.512  1028.24  37.586  994.275  37.403  144.240 2.6400 141.835 2.6717 2.405045       3.755996  
1 1 1 -3  8   15 o 103.104 1.5213 524.904  15.482  510.355  21.854  539.562  21.936  101.638 2.1784 104.509 2.1266 -2.870354      3.044322  
1 1 1 -3  8   16 o 35.053  3.0128 61.214   10.323  58.016   14.131  64.873   15.115  33.943  4.3153 35.917  4.3525 -1.973721      6.129132  
1 1 1 -3  8   17 o 55.059  6.3943 153.110  34.103  167.472  48.564  139.139  47.900  57.048  8.9166 51.691  9.7458 5.356930       13.20937  
1 1 1 -3  8   18 o 156.187 2.3145 1205.72  35.681  1238.49  46.469  1158.64  55.694  158.219 2.9756 152.931 3.6896 5.287430       4.739987  
1 1 1 -3  8   19 o 37.383  2.2210 69.325   8.1584  76.080   11.748  63.033   11.338  39.083  3.0702 35.526  3.2700 3.556194       4.485463  
1 1 1 -3  8   20 o 46.724  1.4816 107.841  6.8327  110.068  8.2374  102.929  12.233  47.194  1.7683 45.514  2.7357 1.679947       3.257464  
1 1 1 -3  8   21 o 29.768  7.8927 46.872   23.567  57.850   33.916  36.622   32.772  33.016  9.7404 27.764  9.7064 5.252443       13.75096  
1 1 1 -3  8   22 o 86.994  1.6714 374.221  14.352  385.835  20.724  363.519  19.894  88.245  2.3793 85.659  2.3530 2.586273       3.346293  
1 1 1 -3  8   23 o 58.769  1.7953 170.876  10.414  179.342  15.430  163.795  14.112  60.124  2.6001 57.472  2.4878 2.652328       3.598519  
1 1 1 -3  9   1  o 126.492 1.6721 789.791  20.876  758.433  29.483  821.323  29.564  123.943 2.4100 128.982 2.3222 -5.038269      3.346743  
1 1 1 -3  9   2  o 65.091  1.0328 209.113  6.6356  197.289  9.3093  221.327  9.4609  63.222  1.4918 66.963  1.4314 -3.741257      2.067472  
1 1 1 -3  9   3  o 171.343 2.3731 1449.43  40.134  1468.35  53.860  1425.81  60.180  172.432 3.1646 169.900 3.5886 2.532455       4.784621  
1 1 1 -3  9   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  9   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  9   6  o 338.625 4.6291 5667.78  154.721 5672.61  218.813 5662.94  218.805 338.507 6.5490 338.218 6.5543 0.2894287      9.265420  
1 1 1 -3  9   7  o 316.935 4.5239 4964.13  141.520 5028.25  200.163 4900.04  200.115 318.761 6.3619 314.660 6.4433 4.100952       9.054780  
1 1 1 -3  9   8  f 122.410 1.7987 739.687  21.733  752.733  30.519  726.265  30.955  123.469 2.5042 121.277 2.5859 2.192276       3.599751  
1 1 1 -3  9   9  o 334.902 4.2474 5544.45  140.403 5501.13  198.484 5587.84  198.635 333.311 6.0331 335.935 5.9906 -2.624481      8.502075  
1 1 1 -3  9   10 o 252.698 3.3415 3155.31  83.345  3159.22  117.819 3151.40  117.917 252.699 4.7237 252.385 4.7335 0.3142090      6.687204  
1 1 1 -3  9   11 f 164.720 2.1143 1339.86  34.375  1352.84  48.605  1326.87  48.622  165.467 2.9760 163.869 3.0061 1.597855       4.230058  
1 1 1 -3  9   12 o 76.415  2.4796 288.473  18.702  291.664  19.560  254.468  63.853  76.834  2.5792 70.705  9.3812 6.129028       9.729329  
1 1 1 -3  9   13 o 95.703  1.4660 452.206  13.848  459.741  19.677  444.811  19.493  96.477  2.0664 94.897  2.0811 1.580063       2.932734  
1 1 1 -3  9   14 o 98.783  1.4753 481.803  14.384  473.897  21.038  488.745  19.711  97.941  2.1762 99.472  2.0076 -1.530113      2.960811  
1 1 1 -3  9   15 o 109.157 6.4334 595.673  69.008  605.531  97.367  585.725  97.817  109.368 9.1023 107.489 9.3117 1.878563       13.02152  
1 1 1 -3  9   16 o 76.714  6.2236 295.070  46.718  313.466  65.839  276.413  66.303  78.534  8.6363 73.502  9.3508 5.031883       12.72879  
1 1 1 -3  9   17 o 77.039  1.4641 293.066  11.133  286.654  15.514  299.875  15.987  76.170  2.0635 77.906  2.0790 -1.735992      2.929179  
1 1 1 -3  9   18 o 125.284 1.8184 775.381  22.486  784.206  31.810  766.568  31.790  125.935 2.5591 124.508 2.5868 1.426910       3.638724  
1 1 1 -3  9   19 o 82.850  1.5558 339.039  12.723  345.283  18.453  333.382  17.565  83.572  2.2370 82.123  2.1670 1.448563       3.114467  
1 1 1 -3  9   20 o 151.584 2.1391 1136.31  32.004  1143.57  44.008  1128.15  46.628  151.931 2.9346 150.864 3.1313 1.067596       4.291520  
1 1 1 -3  9   21 o 34.133  1.4339 57.568   4.8309  52.451   11.785  58.601   5.2964  32.252  3.7734 34.434  1.5583 -2.182381      4.082514  
1 1 1 -3  9   22 o 55.947  2.4818 155.167  13.705  151.008  14.156  217.339  54.733  55.180  2.5991 64.035  8.9002 -8.855564      9.271905  
1 1 1 -3  9   23 o 52.125  2.3138 134.672  11.904  130.574  14.681  142.541  20.342  51.179  2.9182 53.278  3.8952 -2.099354      4.867105  
1 1 1 -3  10  1  o 209.578 7.1358 2175.19  147.612 2189.19  208.726 2161.17  208.783 209.893 10.075 208.535 10.143 1.357346       14.29667  
1 1 1 -3  10  2  o 146.516 6.5261 1062.81  94.378  1036.47  133.066 1089.47  133.879 144.143 9.4043 147.828 9.2213 -3.685165      13.17093  
1 1 1 -3  10  3  o 232.585 7.4739 2680.90  171.579 2675.76  242.848 2686.01  242.451 231.873 10.611 232.324 10.573 -0.4505768     14.97926  
1 1 1 -3  10  4  o 124.480 2.2464 765.019  27.600  758.693  39.020  771.353  39.046  123.941 3.1896 124.971 3.1654 -1.030540      4.493705  
1 1 1 -3  10  5  o 145.410 2.0672 1043.81  29.670  1038.72  41.992  1048.87  41.926  145.035 2.9334 145.742 2.9145 -0.7077789     4.135087  
1 1 1 -3  10  6  o 59.836  1.2653 176.718  7.4731  167.193  10.559  186.278  10.578  58.198  1.8382 61.430  1.7446 -3.232758      2.534264  
1 1 1 -3  10  7  o 95.510  1.4639 450.281  13.800  466.983  19.391  433.139  19.645  97.257  2.0200 93.665  2.1249 3.592247       2.931816  
1 1 1 -3  10  8  o 147.033 2.0511 1067.34  29.767  1042.17  41.898  1093.00  42.300  145.259 2.9223 148.761 2.8808 -3.501846      4.103505  
1 1 1 -3  10  9  o 72.493  1.3096 259.405  9.3706  250.553  12.874  269.376  13.665  71.239  1.8309 73.866  1.8743 -2.626869      2.620164  
1 1 1 -3  10  10 o 212.963 2.8853 2240.69  60.650  2268.24  85.700  2213.06  85.843  214.155 4.0544 211.528 4.1116 2.627289       5.774313  
1 1 1 -3  10  11 o 140.347 1.8773 972.626  26.006  945.583  36.695  999.915  36.861  138.342 2.6873 142.265 2.6251 -3.922607      3.756677  
1 1 1 -3  10  12 o 284.035 4.1788 3994.32  117.154 4030.44  165.611 3958.13  165.751 284.865 5.8900 282.280 5.9490 2.584991       8.371552  
1 1 1 -3  10  13 o 117.231 2.2247 678.961  25.742  681.194  26.574  644.932  103.725 117.420 2.2929 112.897 9.3935 4.522835       9.669289  
1 1 1 -3  10  14 o 105.852 6.2801 559.927  65.321  524.725  92.207  595.391  92.549  101.703 9.2878 108.555 8.7109 -6.852005      12.73351  
1 1 1 -3  10  15 o 90.037  2.1311 400.523  18.939  399.725  25.565  401.494  28.195  89.906  2.8809 90.085  3.1710 -0.1792450     4.284259  
1 1 1 -3  10  16 o 188.521 2.4686 1756.75  45.935  1801.07  62.313  1703.99  67.980  190.764 3.3094 185.483 3.7132 5.280350       4.973921  
1 1 1 -3  10  17 o 142.839 2.0065 1008.07  28.289  1042.90  38.786  968.479  41.349  145.219 2.7059 139.910 2.9943 5.309189       4.035799  
1 1 1 -3  10  18 o 37.625  1.4914 69.915   5.5386  69.524   11.773  70.026   6.2765  37.334  3.2265 37.652  1.6889 -0.3171577     3.641815  
1 1 1 -3  10  19 o 54.203  1.3676 145.097  7.3168  157.184  10.597  134.083  10.115  56.398  1.9036 52.086  1.9675 4.311310       2.737650  
1 1 1 -3  10  20 o 214.790 2.9513 2286.21  62.570  2259.58  87.999  2313.43  88.984  213.095 4.1838 215.620 4.1811 -2.525589      5.914889  
1 1 1 -3  10  21 o 94.926  1.7365 445.533  16.270  466.591  22.929  424.176  23.091  97.062  2.3934 92.526  2.5284 4.535683       3.481492  
1 1 1 -3  10  22 o 47.213  7.1409 116.544  32.238  108.934  45.736  124.060  45.448  44.305  10.601 47.592  9.9932 -3.287109      14.56827  
1 1 1 -3  10  23 o 54.554  6.8906 154.923  36.276  164.094  51.712  146.037  50.903  54.741  9.9366 51.338  10.402 3.403507       14.38517  
1 1 1 -3  10  24 o 19.813  7.3864 16.442   19.364  19.100   28.589  14.190   26.322  22.642  8.8421 21.060  8.4030 1.582066       12.19808  
1 1 1 -3  11  1  o 67.280  6.3424 226.180  41.622  226.470  58.984  225.893  58.740  66.877  9.1777 66.795  9.1501 0.8192444E-01  12.95975  
1 1 1 -3  11  2  o 203.421 4.1800 2045.31  83.927  2122.35  92.670  1693.84  197.934 207.189 4.5315 183.980 10.949 23.20886       11.84994  
1 1 1 -3  11  3  o 76.557  1.2368 289.285  9.3459  273.892  12.841  306.623  13.628  74.487  1.7466 78.812  1.7519 -4.325127      2.473800  
1 1 1 -3  11  4  o 16.923  3.5473 14.682   5.7357  9.7808   7.9413  20.027   8.2932  14.446  4.7826 19.742  4.3713 -5.296743      6.479249  
1 1 1 -3  11  5  o 51.647  1.2143 131.660  6.1900  128.588  8.7581  134.727  8.7499  51.037  1.7385 52.242  1.6969 -1.204391      2.429392  
1 1 1 -3  11  6  o 85.825  1.4670 363.599  12.428  370.709  16.963  355.359  18.260  86.653  1.9832 84.837  2.1806 1.816307       2.947601  
1 1 1 -3  11  7  o 141.586 1.8587 989.684  25.975  994.695  36.639  984.620  36.831  141.919 2.6156 141.197 2.6428 0.7216034      3.718251  
1 1 1 -3  11  8  o 177.086 2.2583 1548.56  39.473  1501.91  55.701  1595.62  55.945  174.344 3.2368 179.706 3.1540 -5.362076      4.519415  
1 1 1 -3  11  9  o 98.048  1.6865 474.624  16.321  464.711  23.084  484.534  23.080  97.000  2.4111 99.049  2.3607 -2.048805      3.374365  
1 1 1 -3  11  10 f 134.068 1.9107 887.565  25.284  878.133  37.532  895.402  34.211  133.308 2.8524 134.628 2.5745 -1.320053      3.842490  
1 1 1 -3  11  11 o 131.467 1.8205 853.491  23.623  875.171  33.419  831.837  33.398  133.089 2.5440 129.748 2.6079 3.340637       3.643219  
1 1 1 -3  11  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  11  13 o 128.571 6.5723 826.074  83.127  841.431  117.785 810.834  117.335 128.967 9.3156 126.538 9.4630 2.428207       13.27887  
1 1 1 -3  11  14 o 256.528 3.4010 3257.01  86.115  3309.29  121.918 3204.96  121.651 258.217 4.7835 254.094 4.8505 4.123245       6.812484  
1 1 1 -3  11  15 o 46.722  1.2455 107.776  5.7437  107.731  8.0194  107.823  8.2303  46.703  1.7397 46.722  1.7847 -0.1906586E-01 2.492287  
1 1 1 -3  11  16 o 122.516 1.8964 741.518  22.932  732.044  31.104  752.800  33.944  121.678 2.5898 123.373 2.7875 -1.694695      3.804871  
1 1 1 -3  11  17 o 64.637  1.5883 206.346  10.133  213.739  15.357  200.645  13.486  65.755  2.3661 63.718  2.1443 2.036510       3.193225  
1 1 1 -3  11  18 o 117.118 1.8046 677.677  20.861  684.921  29.446  670.377  29.559  117.679 2.5351 116.419 2.5723 1.259827       3.611617  
1 1 1 -3  11  19 o 77.183  1.6070 294.302  12.243  297.785  17.335  290.836  17.293  77.599  2.2632 76.687  2.2847 0.9122620      3.215876  
1 1 1 -3  11  20 o 106.086 1.8049 556.339  18.899  590.680  26.632  521.500  26.824  109.232 2.4701 102.613 2.6484 6.619469       3.621553  
1 1 1 -3  11  21 o 59.206  6.9047 180.620  39.592  186.783  55.378  174.175  56.627  59.004  9.8563 56.634  10.517 2.370808       14.41395  
1 1 1 -3  11  22 o 25.817  5.8509 35.092   14.565  24.358   28.664  38.828   16.910  23.982  8.9777 27.075  6.4244 -3.093252      11.03954  
1 1 1 -3  11  23 o 90.469  3.4030 408.179  30.388  500.564  88.171  395.726  32.371  96.591  9.3659 88.998  3.6850 7.592323       10.06473  
1 1 1 -3  11  24 o 80.216  6.8189 335.355  53.477  332.692  75.245  338.072  76.017  77.579  10.064 78.193  10.084 -0.6141052     14.24686  
1 1 1 -3  12  1  o 63.522  1.1598 199.172  7.2720  201.975  10.262  196.346  10.306  63.963  1.6255 63.065  1.6557 0.8979454      2.320236  
1 1 1 -3  12  2  o 250.103 3.1660 3090.63  78.155  3131.03  105.974 3042.45  115.726 251.612 4.2671 247.967 4.7283 3.644791       6.369047  
1 1 1 -3  12  3  o 218.109 3.8025 2351.58  81.860  2235.34  88.261  3066.92  218.949 212.611 4.2058 248.167 8.9385 -35.55649      9.878561  
1 1 1 -3  12  4  o 177.161 2.8781 1550.41  50.328  1568.04  60.800  1512.05  89.697  178.128 3.4581 174.771 5.1997 3.357651       6.244591  
1 1 1 -3  12  5  o 223.642 3.1468 2471.20  69.462  2382.28  103.944 2542.96  93.374  219.415 4.7995 226.767 4.1717 -7.352585      6.359122  
1 1 1 -3  12  6  o 105.544 1.4937 549.909  15.561  579.663  21.986  520.049  22.026  108.349 2.0559 102.623 2.1745 5.725693       2.992479  
1 1 1 -3  12  7  o 54.853  1.1794 148.522  6.3854  139.269  8.7285  159.176  9.3659  53.112  1.6650 56.781  1.6711 -3.669037      2.358987  
1 1 1 -3  12  8  o 80.975  1.3912 323.688  11.119  335.630  15.765  311.866  15.685  82.444  1.9373 79.470  1.9996 2.973633       2.784201  
1 1 1 -3  12  9  o 120.246 1.6641 713.913  19.750  707.373  27.807  720.571  28.057  119.667 2.3542 120.779 2.3535 -1.111252      3.328861  
1 1 1 -3  12  10 o 150.315 2.1922 1116.09  32.525  1089.05  46.099  1142.89  45.895  148.413 3.1469 152.045 3.0582 -3.632523      4.388101  
1 1 1 -3  12  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  12  12 o 139.919 6.6907 976.297  92.402  987.404  130.879 965.259  130.474 139.658 9.5518 138.045 9.6361 1.612732       13.56801  
1 1 1 -3  12  13 o 85.046  1.5129 357.161  12.700  362.402  17.810  351.738  18.115  85.645  2.1068 84.372  2.1753 1.272552       3.028288  
1 1 1 -3  12  14 o 151.231 2.7338 1130.98  40.807  1226.98  140.046 1122.07  42.659  155.691 9.1536 150.619 2.8694 5.071625       9.592767  
1 1 1 -3  12  15 o 80.843  1.5707 322.767  12.534  313.638  17.761  331.823  17.690  79.662  2.2588 81.942  2.1871 -2.280487      3.144181  
1 1 1 -3  12  16 o 113.168 1.7170 632.606  19.179  623.804  27.114  641.421  27.134  112.327 2.4455 113.905 2.4134 -1.577682      3.435860  
1 1 1 -3  12  17 o 123.143 2.2178 749.583  26.957  789.826  34.304  684.608  43.588  126.351 2.7506 117.510 3.7580 8.841743       4.657106  
1 1 1 -3  12  18 o 140.734 2.0158 978.924  28.001  1002.40  39.571  955.375  39.629  142.311 2.8171 138.922 2.8901 3.388916       4.035923  
1 1 1 -3  12  19 o 85.904  1.7594 364.689  14.918  375.760  21.204  353.837  20.993  87.141  2.4652 84.557  2.5154 2.584877       3.521973  
1 1 1 -3  12  20 o 158.097 7.0003 1267.35  109.237 1243.18  154.063 1291.79  154.911 154.023 10.192 157.151 10.039 -3.128113      14.30582  
1 1 1 -3  12  21 o 122.851 2.6486 748.612  32.116  791.937  47.425  711.914  43.648  126.015 3.8128 119.515 3.7000 6.499985       5.312995  
1 1 1 -3  12  22 o 40.211  2.8126 80.739   11.093  83.924   15.767  77.618   15.610  40.771  3.9683 39.166  4.0987 1.605610       5.704923  
1 1 1 -3  12  23 o 26.666  1.6284 35.313   4.2655  44.085   14.839  34.523   4.4534  29.055  5.3721 26.355  1.7214 2.700565       5.641138  
1 1 1 -3  12  24 o 73.418  6.6597 281.429  47.735  298.708  66.779  263.375  68.260  73.758  9.3853 68.417  10.439 5.340225       14.03745  
1 1 1 -3  13  1  o 120.717 1.5879 719.492  18.921  740.907  26.785  698.162  26.731  122.477 2.2157 118.888 2.2779 3.588310       3.177755  
1 1 1 -3  13  2  o 179.666 2.3557 1594.47  41.775  1621.89  56.498  1561.40  62.050  181.141 3.1600 177.695 3.5378 3.445480       4.743556  
1 1 1 -3  13  3  o 67.918  1.2248 227.704  8.2107  224.286  11.934  230.776  11.314  67.397  1.7939 68.368  1.6766 -0.9703369     2.455473  
1 1 1 -3  13  4  o 75.094  1.4535 278.393  10.774  294.290  12.981  243.195  19.316  77.204  1.7034 70.157  2.7894 7.047478       3.268366  
1 1 1 -3  13  5  o 160.066 2.0514 1265.28  32.411  1261.23  45.736  1269.36  45.936  159.758 2.9004 160.272 2.9038 -0.5138092     4.104160  
1 1 1 -3  13  6  o 184.378 2.3469 1679.21  42.711  1694.67  60.346  1663.69  60.460  185.145 3.3022 183.441 3.3392 1.704086       4.696227  
1 1 1 -3  13  7  o 74.738  1.3624 275.753  10.050  263.735  14.342  287.351  14.089  73.078  1.9883 76.282  1.8712 -3.204628      2.730316  
1 1 1 -3  13  8  o 102.118 1.8494 514.965  18.641  497.983  23.391  544.518  30.858  100.400 2.3604 104.954 2.9787 -4.554337      3.800542  
1 1 1 -3  13  9  o 38.008  9.8049 75.391   37.027  78.141   53.701  72.898   51.121  39.335  12.390 38.110  12.098 1.224426       17.31684  
1 1 1 -3  13  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  13  11 o 177.392 2.4520 1555.26  42.932  1553.18  60.798  1557.34  60.632  177.142 3.4772 177.382 3.4631 -0.2391815     4.907558  
1 1 1 -3  13  12 o 88.376  1.4534 385.663  12.678  381.377  17.911  389.966  17.948  87.858  2.0654 88.843  2.0467 -0.9847412     2.907717  
1 1 1 -3  13  13 o 84.614  1.5135 353.557  12.641  339.587  17.802  367.763  17.952  82.897  2.1757 86.271  2.1082 -3.373955      3.029550  
1 1 1 -3  13  14 o 140.915 1.9814 981.091  27.559  1003.21  40.723  962.401  37.434  142.402 2.8972 139.496 2.7188 2.906174       3.973119  
1 1 1 -3  13  15 o 103.450 6.3384 536.554  64.409  538.663  91.010  534.438  91.166  102.827 9.0596 102.401 9.1151 0.4265289      12.85152  
1 1 1 -3  13  16 o 59.383  1.3194 174.132  7.7337  176.863  11.079  171.537  10.801  59.830  1.8760 58.923  1.8571 0.9070892      2.639762  
1 1 1 -3  13  17 o 76.968  1.6551 292.649  12.574  292.185  17.870  293.104  17.696  76.868  2.3553 76.991  2.3286 -0.1225433     3.312060  
1 1 1 -3  13  18 o 34.485  3.7776 59.724   12.648  63.269   16.896  55.206   19.075  35.289  4.9899 32.686  6.1379 2.603626       7.910323  
1 1 1 -3  13  19 o 146.741 6.8842 1087.41  99.710  1098.56  140.789 1076.20  141.233 145.477 9.8632 143.880 10.007 1.597015       14.05090  
1 1 1 -3  13  20 o 52.630  1.6657 136.938  8.6528  141.447  10.194  125.314  16.366  53.474  1.9314 50.110  3.3279 3.364162       3.847790  
1 1 1 -3  13  21 o 34.771  1.7644 59.970   6.0357  97.074   17.820  55.162   6.4149  43.858  4.1665 33.324  1.9589 10.53400       4.604061  
1 1 1 -3  13  22 o 51.165  1.7677 129.580  8.9270  128.307  10.334  133.324  17.722  50.886  2.0574 51.561  3.5031 -0.6744576     4.062572  
1 1 1 -3  13  23 o 49.798  1.3559 122.620  6.6643  119.751  9.3807  125.544  9.4696  49.163  1.9331 50.341  1.9058 -1.177719      2.714615  
1 1 1 -3  14  1  o 77.523  1.2982 296.703  9.9338  280.450  14.301  311.856  13.809  75.354  1.9228 79.466  1.7605 -4.112366      2.607016  
1 1 1 -3  14  2  f 106.763 1.6556 562.847  17.446  537.633  27.652  579.522  22.487  104.296 2.6861 108.314 2.1033 -4.017944      3.411636  
1 1 1 -3  14  3  o 129.616 1.9821 829.788  25.358  831.753  35.996  827.852  35.728  129.718 2.8114 129.414 2.7970 0.3035126      3.965780  
1 1 1 -3  14  4  o 70.562  1.3043 245.809  9.0841  248.822  12.715  242.668  12.983  70.982  1.8149 70.097  1.8764 0.8848495      2.610494  
1 1 1 -3  14  5  o 194.635 2.6996 1872.34  51.863  1835.37  68.729  1921.23  79.038  192.592 3.6155 196.977 4.0653 -4.384689      5.440442  
1 1 1 -3  14  6  o 130.996 1.8952 847.502  24.505  807.918  36.073  881.420  33.392  127.840 2.8588 133.552 2.5331 -5.712898      3.819585  
1 1 1 -3  14  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  14  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  14  9  o 118.767 2.3765 697.091  27.859  721.824  39.651  672.976  39.152  120.776 3.3261 116.611 3.4016 4.165421       4.757528  
1 1 1 -3  14  10 o 128.070 1.8776 810.210  23.735  824.944  33.725  795.749  33.411  129.172 2.6451 126.863 2.6682 2.308304       3.757150  
1 1 1 -3  14  11 o 128.228 1.8163 812.200  22.989  807.524  32.435  816.920  32.586  127.800 2.5713 128.542 2.5684 -0.7416534     3.634301  
1 1 1 -3  14  12 o 122.981 2.0455 747.307  24.829  762.724  35.126  731.913  35.101  124.171 2.8660 121.631 2.9238 2.539726       4.094225  
1 1 1 -3  14  13 o 138.227 1.9405 944.016  26.475  944.165  37.489  943.867  37.394  138.159 2.7491 138.138 2.7426 0.2102661E-01  3.883211  
1 1 1 -3  14  14 o 105.504 1.7730 549.885  18.464  541.459  26.065  558.372  26.159  104.639 2.5236 106.263 2.4940 -1.624191      3.548085  
1 1 1 -3  14  15 o 134.968 2.1020 900.329  28.002  916.726  39.485  883.738  39.717  136.096 2.9394 133.615 3.0116 2.480606       4.208244  
1 1 1 -3  14  16 o 120.858 2.7963 722.887  33.357  722.887  33.357  0.0000   0.0000  120.858 2.7963 ?       ?      0.000000       2.796273  
1 1 1 -3  14  17 o 112.254 6.7029 635.068  73.928  658.608  105.191 612.092  103.921 113.158 9.5061 108.941 9.7682 4.217323       13.63029  
1 1 1 -3  14  18 o 37.479  7.8168 73.742   27.980  58.007   40.683  87.866   38.544  33.618  10.805 40.550  9.7501 -6.931793      14.55384  
1 1 1 -3  14  19 o 51.694  2.3545 132.292  12.014  134.668  17.920  130.352  16.191  51.941  3.5161 51.145  3.2238 0.7960472      4.770258  
1 1 1 -3  14  20 o 39.926  1.1171 78.739   4.4021  88.762   7.4241  73.304   5.4668  42.362  1.7755 38.512  1.4382 3.850269       2.284913  
1 1 1 -3  14  21 o 51.000  1.7642 128.722  8.8808  150.412  20.191  123.520  9.8886  54.738  3.7599 49.939  2.0062 4.799171       4.261669  
1 1 1 -3  14  22 o 73.272  2.0635 266.129  14.924  272.749  21.181  259.603  21.031  74.019  2.8991 72.202  2.9510 1.817101       4.136806  
1 1 1 -3  14  23 o 23.102  0.8959 26.364   2.0430  23.607   2.5447  31.364   3.4268  21.821  1.1859 25.144  1.3861 -3.322458      1.824217  
1 1 1 -3  15  1  o 217.816 2.9332 2346.51  63.061  2387.00  89.060  2305.80  89.303  219.458 4.1115 215.674 4.1950 3.783508       5.873899  
1 1 1 -3  15  2  o 199.120 2.5080 1959.82  49.292  1960.32  69.695  1959.32  69.725  198.989 3.5485 198.937 3.5509 0.5152893E-01  5.020016  
1 1 1 -3  15  3  o 189.536 2.7266 1776.17  51.009  1741.94  63.659  1837.58  85.258  187.598 3.4379 192.481 4.4876 -4.883255      5.653114  
1 1 1 -3  15  4  o 127.765 1.7985 806.258  22.681  759.257  33.180  847.487  31.075  123.922 2.7126 130.950 2.4042 -7.028000      3.624735  
1 1 1 -3  15  5  o 113.932 2.9625 642.012  33.315  681.295  101.637 637.283  35.264  116.018 8.9445 113.495 3.1478 2.522202       9.482272  
1 1 1 -3  15  6  o 177.904 6.8538 1580.61  120.350 1556.43  170.091 1604.85  170.311 175.172 9.8777 177.954 9.7331 -2.781815      13.86734  
1 1 1 -3  15  7  o 191.543 7.0119 1833.90  132.566 1798.53  187.745 1869.08  187.210 188.136 10.148 191.923 9.9164 -3.787613      14.18853  
1 1 1 -3  15  8  o 78.372  1.4103 303.291  10.910  289.971  15.428  316.616  15.430  76.609  2.0403 80.055  1.9527 -3.446167      2.824170  
1 1 1 -3  15  9  o 28.295  1.0891 39.525   3.0416  36.521   4.2641  42.636   4.3399  27.146  1.5985 29.345  1.5034 -2.198460      2.194393  
1 1 1 -3  15  10 o 15.048  1.0930 11.239   1.6124  11.762   2.2896  10.724   2.2711  15.356  1.5310 14.649  1.5965 0.7071028      2.211937  
1 1 1 -3  15  11 o 57.385  1.3285 162.604  7.5247  165.156  10.450  159.854  10.844  57.820  1.8310 56.881  1.9316 0.9389381      2.661491  
1 1 1 -3  15  12 o 124.309 1.9087 763.503  23.419  757.445  33.242  769.472  32.998  123.742 2.7217 124.725 2.6804 -0.9829254     3.820009  
1 1 1 -3  15  13 o 38.232  1.1917 72.172   4.4972  73.627   6.3788  70.733   6.3414  38.607  1.6739 37.840  1.6978 0.7670250      2.384274  
1 1 1 -3  15  14 o 42.437  1.2329 88.926   5.1642  91.799   7.3606  86.140   7.2473  43.107  1.7300 41.756  1.7584 1.350563       2.466759  
1 1 1 -3  15  15 o 32.082  2.8781 51.357   9.0170  49.963   10.394  55.600   18.130  31.572  3.3882 32.894  5.7959 -1.321590      6.713575  
1 1 1 -3  15  16 o 212.037 10.843 2328.48  226.180 2317.86  319.742 2339.12  319.991 206.182 15.832 207.213 15.764 -1.030533      22.34180  
1 1 1 -3  15  17 f 30.740  8.2952 49.696   25.752  61.831   38.502  39.873   34.640  34.363  10.434 28.925  9.9867 5.438276       14.44336  
1 1 1 -3  15  18 o 87.269  2.1527 376.775  18.543  366.113  22.106  402.089  34.062  85.977  2.6049 89.915  3.8380 -3.938187      4.638496  
1 1 1 -3  15  19 o 52.008  1.3033 133.636  6.6902  149.112  10.968  124.465  8.4429  54.894  2.0242 50.172  1.7049 4.722118       2.646506  
1 1 1 -3  15  20 o 73.916  1.5960 270.198  11.644  280.053  16.645  260.755  16.295  75.176  2.2433 72.535  2.2759 2.640640       3.195648  
1 1 1 -3  15  21 o 65.587  1.8576 213.032  12.026  241.677  22.111  201.000  14.330  69.618  3.2178 63.652  2.2809 5.965302       3.944249  
1 1 1 -3  15  22 o 58.995  2.3448 172.836  13.654  169.358  19.842  175.964  18.817  58.083  3.4770 59.278  3.2282 -1.194080      4.744585  
1 1 1 -3  15  23 o 16.458  2.1721 13.677   3.4424  13.193   3.4927  30.134   20.361  16.146  2.2531 23.898  7.6402 -7.752436      7.965520  
1 1 1 -3  16  1  o 74.324  1.3207 272.754  9.6886  261.803  13.483  284.445  13.932  72.798  1.8764 75.881  1.8601 -3.083321      2.642138  
1 1 1 -3  16  2  o 51.069  1.2435 128.768  6.2682  130.114  7.9617  126.572  10.166  51.329  1.5715 50.613  2.0350 0.7154922      2.571145  
1 1 1 -3  16  3  f 18.472  1.1416 16.911   2.0713  17.239   2.9461  16.590   2.9127  18.612  1.6198 18.255  1.6338 0.3578167      2.300662  
1 1 1 -3  16  4  o 56.789  6.7725 163.425  37.213  166.660  52.270  160.100  52.991  56.623  9.7015 55.371  10.067 1.251606       13.98056  
1 1 1 -3  16  5  o 63.373  6.6799 202.881  41.154  206.783  58.603  199.084  57.807  63.208  9.7033 61.976  9.7737 1.232105       13.77242  
1 1 1 -3  16  6  o 64.085  1.9834 202.913  12.545  300.147  58.930  198.297  12.840  76.911  7.8737 63.349  2.0535 13.56243       8.137029  
1 1 1 -3  16  7  o 142.529 2.0678 1003.83  29.090  991.782  40.944  1016.12  41.337  141.580 2.9300 143.307 2.9224 -1.727478      4.138248  
1 1 1 -3  16  8  o 78.163  1.3825 301.686  10.666  292.647  15.283  310.269  14.892  76.958  2.0120 79.246  1.9039 -2.288292      2.769996  
1 1 1 -3  16  9  o 163.177 2.3379 1316.34  37.654  1294.95  53.293  1337.67  53.210  161.702 3.3391 164.357 3.2800 -2.655350      4.680542  
1 1 1 -3  16  10 o 139.576 2.0688 962.779  28.501  972.672  40.493  953.066  40.122  140.194 2.9263 138.773 2.9292 1.420486       4.140447  
1 1 1 -3  16  11 o 91.150  1.5240 410.348  13.711  411.938  19.399  408.760  19.382  91.291  2.1529 90.937  2.1593 0.3533173      3.049184  
1 1 1 -3  16  12 o 86.963  1.5576 373.545  13.370  388.898  18.907  358.188  18.909  88.698  2.1596 85.118  2.2507 3.580109       3.119219  
1 1 1 -3  16  13 o 30.532  2.6992 46.486   8.0506  49.144   11.595  44.011   11.186  31.241  3.8412 29.523  3.9369 1.717730       5.500339  
1 1 1 -3  16  14 o 191.965 3.8930 1829.27  73.763  1868.00  104.422 1790.69  104.213 193.440 5.4690 189.352 5.5759 4.087997       7.810352  
1 1 1 -3  16  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  16  16 o 81.073  1.9263 324.927  15.414  347.064  22.283  304.613  21.346  83.721  2.6965 78.428  2.7575 5.293098       3.856800  
1 1 1 -3  16  17 o 146.674 3.2366 1067.50  46.858  1482.32  140.340 1015.45  49.710  170.248 8.3515 142.982 3.5223 27.26625       9.063938  
1 1 1 -3  16  18 o 50.783  1.4489 127.439  7.2627  127.952  10.272  126.926  10.270  50.852  2.0464 50.647  2.0545 0.2047920      2.899802  
1 1 1 -3  16  19 o 10.633  1.8063 5.7484   1.8279  0.6957   2.7754  9.6187   2.4291  6.5523  2.6866 13.824  1.8248 -7.271802      3.247698  
1 1 1 -3  16  20 o 64.716  2.2723 207.713  14.515  238.767  21.949  183.580  19.349  69.216  3.2127 60.602  3.2466 8.614120       4.567479  
1 1 1 -3  16  21 o 73.695  2.1876 269.483  15.913  290.275  23.373  251.521  21.725  76.277  3.1045 71.004  3.0999 5.273056       4.387162  
1 1 1 -3  16  22 o 42.351  4.1398 91.209   17.084  98.295   24.019  83.953   24.304  43.416  5.7462 39.818  6.4009 3.598022       8.601757  
1 1 1 -3  16  23 o 42.767  7.7236 100.121  31.404  95.246   44.680  104.880  44.147  39.900  10.993 42.109  10.623 -2.209324      15.28713  
1 1 1 -3  17  1  o 126.881 1.9986 795.505  25.030  780.897  41.591  803.800  31.341  125.566 3.3558 127.496 2.4905 -1.929855      4.178944  
1 1 1 -3  17  2  o 37.877  7.3902 74.396   26.637  60.812   37.652  88.008   37.690  34.307  10.297 40.862  9.5212 -6.555134      14.02399  
1 1 1 -3  17  3  o 82.296  6.4897 340.723  52.288  340.981  73.848  340.463  74.045  81.512  9.3478 81.437  9.3834 0.7505798E-01  13.24497  
1 1 1 -3  17  4  o 190.915 2.5440 1802.53  47.939  1766.43  70.871  1832.97  65.089  188.753 3.8040 192.358 3.4282 -3.605194      5.120805  
1 1 1 -3  17  5  o 131.789 1.9726 858.240  25.659  834.610  36.346  881.718  36.230  129.875 2.8353 133.501 2.7495 -3.625320      3.949486  
1 1 1 -3  17  6  o 78.391  1.4065 303.471  10.883  286.942  15.082  321.428  15.719  76.201  2.0052 80.651  1.9746 -4.450813      2.814283  
1 1 1 -3  17  7  o 102.779 2.1595 522.146  21.908  518.175  93.409  522.377  22.536  100.544 9.5260 102.798 2.2211 -2.253471      9.781554  
1 1 1 -3  17  8  o 100.043 1.6208 494.388  16.005  498.913  22.927  490.086  22.353  100.453 2.3123 99.564  2.2745 0.8895798      3.243496  
1 1 1 -3  17  9  o 60.074  1.2742 178.205  7.5553  182.607  10.487  173.453  10.895  60.796  1.7476 59.248  1.8630 1.547726       2.554331  
1 1 1 -3  17  10 o 32.913  1.1387 53.485   3.6994  55.312   5.1874  51.595   5.2771  33.463  1.5705 32.275  1.6622 1.188419       2.286804  
1 1 1 -3  17  11 o 148.023 2.0742 1083.07  30.305  1108.07  42.923  1058.23  42.793  149.605 2.9067 146.192 2.9656 3.413101       4.152592  
1 1 1 -3  17  12 o 44.137  1.2214 96.198   5.3210  91.032   7.5726  101.236  7.4782  42.922  1.7875 45.267  1.6737 -2.345116      2.448762  
1 1 1 -3  17  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  17  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  17  15 o 71.775  1.5694 254.543  11.118  249.459  15.490  259.944  15.968  71.014  2.2099 72.489  2.2317 -1.475418      3.140735  
1 1 1 -3  17  16 o 48.571  2.5731 117.162  12.292  117.223  17.881  117.107  16.925  48.410  3.7719 48.419  3.5664 -0.9960175E-02 5.191018  
1 1 1 -3  17  17 o 75.251  1.6506 279.938  12.260  290.957  17.652  269.669  17.040  76.653  2.3331 73.795  2.3395 2.858116       3.303986  
1 1 1 -3  17  18 o 50.979  3.3270 129.858  16.649  214.633  55.181  121.368  17.463  63.503  9.0606 49.220  3.6199 14.28319       9.756892  
1 1 1 -3  17  19 o 94.798  2.0096 445.155  18.804  476.707  27.181  416.193  26.042  97.927  2.8121 91.484  2.8839 6.443390       4.028004  
1 1 1 -3  17  20 o 21.299  0.9987 22.414   2.0996  20.736   3.0067  24.010   2.9333  20.418  1.5025 21.993  1.3579 -1.575056      2.025194  
1 1 1 -3  17  21 o 24.115  8.0884 30.138   22.698  30.150   36.886  30.131   28.796  26.116  10.087 24.896  9.0541 1.219540       13.55423  
1 1 1 -3  17  22 o 14.433  5.9650 3.9648   13.822  9.9323   25.191  1.3945   16.532  19.622  8.0753 14.931  6.3666 4.691675       10.28322  
1 1 1 -3  17  23 o 10.864  2.6273 6.1225   2.7864  21.368   19.291  5.7976   2.8159  20.884  7.4337 10.576  2.6910 10.30768       7.905741  
1 1 1 -3  18  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  18  2  o 93.891  1.5510 435.438  14.373  431.493  20.055  439.605  20.611  93.425  2.1748 94.296  2.2144 -0.8711395     3.103814  
1 1 1 -3  18  3  o 114.149 1.8382 643.832  20.711  649.827  28.067  636.665  30.688  114.622 2.4808 113.427 2.7411 1.194397       3.696992  
1 1 1 -3  18  4  o 86.849  1.5534 372.576  13.316  366.370  18.484  379.271  19.200  86.087  2.1754 87.586  2.2210 -1.499359      3.108851  
1 1 1 -3  18  5  o 62.865  1.8033 195.270  11.190  202.739  19.139  191.392  13.792  63.987  3.0304 62.217  2.2459 1.769577       3.771917  
1 1 1 -3  18  6  o 173.111 2.3321 1481.92  39.848  1500.17  54.080  1460.24  58.939  174.031 3.1483 171.630 3.4792 2.400787       4.692190  
1 1 1 -3  18  7  o 35.428  1.3351 61.985   4.6688  63.003   5.1973  57.726   10.627  35.715  1.4743 33.986  3.2057 1.729237       3.528450  
1 1 1 -3  18  8  o 109.846 6.5097 607.201  70.265  592.044  100.348 621.782  98.418  107.271 9.5782 110.150 9.1347 -2.878647      13.23578  
1 1 1 -3  18  9  f 207.698 2.6759 2134.99  54.856  2107.20  77.533  2162.84  77.624  206.043 3.8124 208.759 3.7672 -2.716461      5.359677  
1 1 1 -3  18  10 o 153.568 2.1272 1166.02  32.243  1154.65  45.501  1177.49  45.697  152.675 3.0194 154.180 3.0028 -1.505402      4.258367  
1 1 1 -3  18  11 o 91.773  14.193 458.798  124.415 458.798  124.415 0.0000   0.0000  91.773  14.193 ?       ?      0.000000       14.19287  
1 1 1 -3  18  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  18  13 o 112.114 1.9595 621.466  21.684  614.052  30.343  629.205  30.999  111.344 2.7610 112.705 2.7866 -1.361656      3.922747  
1 1 1 -3  18  14 o 95.911  1.8365 454.766  17.385  464.575  23.955  443.850  25.271  96.867  2.5054 94.657  2.7048 2.210442       3.686888  
1 1 1 -3  18  15 o 40.013  3.0201 79.867   11.840  92.027   17.077  68.613   16.429  42.789  4.0934 36.785  4.6273 6.004360       6.178037  
1 1 1 -3  18  16 o 2.7416  1.3762 -4.8432  1.6304  -9.5193  2.2657  0.1789   2.3481  ?       ?      5.7695  2.4268 0.000000       2.426836  
1 1 1 -3  18  17 o 14.848  1.1552 10.957   1.6797  8.4535   2.9333  12.179   2.0489  12.854  2.4002 15.641  1.3401 -2.787162      2.748985  
1 1 1 -3  18  18 o 12.384  1.6558 7.7213   1.9732  5.4695   2.8946  9.6762   2.6969  10.318  2.7797 13.830  2.0367 -3.511694      3.446028  
1 1 1 -3  18  19 f 57.421  2.1201 163.535  12.016  163.535  12.016  0.0000   0.0000  57.421  2.1201 ?       ?      0.000000       2.120083  
1 1 1 -3  18  20 o 55.803  7.2875 166.384  39.181  161.250  56.012  171.303  54.827  52.386  11.173 54.485  10.576 -2.099106      15.38523  
1 1 1 -3  18  21 o 19.847  1.1541 19.541   2.2510  20.477   3.2902  18.718   3.0863  20.263  1.6596 19.371  1.6293 0.8926144      2.325761  
1 1 1 -3  18  22 o 54.474  1.4972 146.963  8.0498  151.329  11.453  142.700  11.316  55.182  2.1028 53.579  2.1398 1.602840       3.000086  
1 1 1 -3  19  1  o 123.767 1.8289 757.117  22.342  733.762  31.349  781.223  31.849  121.748 2.6087 125.630 2.5685 -3.881676      3.660941  
1 1 1 -3  19  2  o 132.474 2.0475 867.673  26.773  876.973  36.168  856.400  39.820  133.085 2.7534 131.462 3.0688 1.622482       4.122944  
1 1 1 -3  19  3  o 39.009  1.4538 75.166   5.5976  76.085   10.810  74.829   6.5432  39.097  2.8201 38.915  1.7035 0.1826439      3.294641  
1 1 1 -3  19  4  o 145.915 2.1836 1052.88  31.448  1041.64  42.617  1066.31  46.599  145.008 2.9775 146.670 3.2188 -1.661133      4.384818  
1 1 1 -3  19  5  o 148.828 2.7310 1096.59  40.119  1076.87  47.507  1145.64  74.906  147.384 3.2657 151.557 5.0074 -4.173187      5.978149  
1 1 1 -3  19  6  o 103.024 2.0417 524.752  20.762  512.523  35.156  531.302  25.728  101.641 3.5043 103.617 2.5156 -1.976646      4.313751  
1 1 1 -3  19  7  o 65.540  1.3574 212.158  8.7809  206.513  12.126  218.382  12.732  64.637  1.9007 66.466  1.9407 -1.829216      2.716440  
1 1 1 -3  19  8  o 82.097  1.5999 333.008  12.965  339.884  18.116  325.788  18.562  82.897  2.2140 81.152  2.3174 1.745667       3.205001  
1 1 1 -3  19  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  19  10 o 88.322  14.101 428.647  118.794 428.647  118.794 0.0000   0.0000  88.322  14.101 ?       ?      0.000000       14.10109  
1 1 1 -3  19  11 o 101.961 6.5422 526.006  65.493  497.148  92.337  555.222  92.907  97.689  9.7047 103.558 9.1846 -5.869240      13.36183  
1 1 1 -3  19  12 o 129.738 2.1200 832.662  27.148  826.311  39.153  838.543  37.675  129.074 3.0732 130.055 2.9349 -0.9802094     4.249530  
1 1 1 -3  19  13 o 138.317 2.2573 946.917  30.817  933.780  43.573  960.065  43.591  137.150 3.2187 139.078 3.1755 -1.927795      4.521488  
1 1 1 -3  19  14 o 122.730 2.0418 745.308  24.734  733.986  35.381  756.131  34.591  121.623 2.9473 123.469 2.8384 -1.845261      4.091811  
1 1 1 -3  19  15 o 57.352  1.1832 162.490  6.6976  165.393  9.4767  159.593  9.4671  57.834  1.6601 56.809  1.6884 1.025051       2.367815  
1 1 1 -3  19  16 o 29.960  1.2773 44.359   3.7773  37.813   5.3507  50.862   5.3332  27.565  1.9798 32.021  1.6934 -4.455437      2.605215  
1 1 1 -3  19  17 o 29.990  4.1851 45.955   12.051  53.129   17.599  39.621   16.535  31.845  5.8133 27.310  6.2670 4.534708       8.548085  
1 1 1 -3  19  18 o 46.240  3.4574 107.535  15.666  101.579  19.099  119.783  27.387  44.678  4.3875 48.001  5.9050 -3.323196      7.356575  
1 1 1 -3  19  19 o 91.263  7.8447 447.192  69.978  414.391  120.174 464.020  86.077  78.690  16.017 91.065  9.7269 -12.37520      18.73928  
1 1 1 -3  19  20 o 58.836  2.2065 172.072  12.814  171.154  14.309  175.787  28.789  58.625  2.4729 58.397  5.0441 0.2275658      5.617706  
1 1 1 -3  19  21 o 7.1402  3.0480 -0.0368  3.7968  32.953   17.292  -1.7079  3.8918  24.532  6.8688 6.5294  2.9254 18.00285       7.465816  
1 1 1 -3  19  22 o 35.368  3.7241 63.939   12.805  67.253   19.205  61.286   17.182  35.524  5.6678 34.042  5.2849 1.481339       7.749518  
1 1 1 -3  20  1  o 39.845  1.1618 78.416   4.5692  77.390   5.0200  83.368   11.032  39.580  1.2850 40.917  2.7477 -1.336582      3.033296  
1 1 1 -3  20  2  o 133.005 1.8949 874.815  24.877  882.890  35.063  866.630  35.301  133.486 2.6612 132.242 2.7045 1.243515       3.794235  
1 1 1 -3  20  3  o 85.019  1.5926 357.217  13.365  359.298  18.767  355.076  19.037  85.210  2.2314 84.704  2.2771 0.5067749      3.188116  
1 1 1 -3  20  4  o 66.140  1.4019 216.114  9.1518  217.783  13.099  214.523  12.792  66.360  1.9998 65.863  1.9677 0.4962692      2.805568  
1 1 1 -3  20  5  o 21.063  1.2128 21.985   2.5107  7.3741   10.450  22.880   2.5864  14.275  5.4042 21.488  1.2245 -7.213181      5.541193  
1 1 1 -3  20  6  o 87.706  1.5668 380.118  13.564  373.066  18.832  387.719  19.551  86.835  2.1972 88.520  2.2377 -1.684807      3.136100  
1 1 1 -3  20  7  o 45.698  2.2048 103.328  9.9450  101.871  11.727  107.058  18.767  45.275  2.6356 46.183  4.1617 -0.9085045     4.926058  
1 1 1 -3  20  8  o 71.029  6.7567 257.210  46.799  247.034  66.212  267.368  66.156  68.276  10.133 71.295  9.6491 -3.018806      13.99187  
1 1 1 -3  20  9  o 84.813  6.6520 365.770  55.240  351.520  77.801  380.256  78.445  81.738  9.8412 85.231  9.4857 -3.492653      13.66845  
1 1 1 -3  20  10 o 54.538  2.0668 147.155  11.126  145.486  11.345  189.083  56.856  54.224  2.1197 59.510  10.037 -5.285591      10.25803  
1 1 1 -3  20  11 o 106.569 1.9770 561.831  20.796  536.179  28.515  590.972  30.393  103.987 2.7782 109.163 2.8207 -5.176140      3.959164  
1 1 1 -3  20  12 o 40.115  3.2012 80.448   12.569  78.617   17.291  82.500   18.304  39.400  4.5285 40.338  4.6846 -0.9379349     6.515591  
1 1 1 -3  20  13 o 83.207  2.0320 342.693  16.689  351.671  23.273  333.191  23.944  84.178  2.8011 81.909  2.9616 2.268608       4.076430  
1 1 1 -3  20  14 o 60.175  1.5991 179.071  9.4980  194.441  13.247  162.809  13.625  62.654  2.1421 57.303  2.4090 5.350121       3.223620  
1 1 1 -3  20  15 o 160.684 2.4571 1281.23  38.970  1268.84  55.229  1293.52  54.995  159.453 3.5091 161.021 3.4602 -1.568253      4.928198  
1 1 1 -3  20  16 o 56.475  2.4094 158.358  13.430  149.088  19.408  166.876  18.604  54.472  3.6306 57.736  3.2781 -3.263256      4.891546  
1 1 1 -3  20  17 o 67.825  10.054 258.358  65.269  301.474  95.596  220.708  89.331  69.151  14.471 57.903  15.373 11.24710       21.11217  
1 1 1 -3  20  18 o 103.478 15.531 708.509  153.732 708.509  153.732 0.0000   0.0000  103.478 15.531 ?       ?      0.000000       15.53107  
1 1 1 -3  20  19 o 45.226  3.0337 102.836  13.464  113.467  19.448  93.051   18.658  47.123  4.2263 42.534  4.5131 4.588413       6.183010  
1 1 1 -3  20  20 o 9.0520  2.7577 4.1126   2.6861  3.9142   2.7318  9.8992   14.752  8.8942  2.7934 16.369  6.3630 -7.474617      6.949125  
1 1 1 -3  20  21 o 34.118  1.3517 57.642   4.5520  62.649   6.4880  52.788   6.3881  35.467  1.8598 32.524  1.9996 2.943333       2.730807  
1 1 1 -3  21  1  o 92.092  1.6041 419.466  14.581  407.158  20.270  432.664  20.989  90.632  2.2659 93.426  2.2761 -2.793877      3.211715  
1 1 1 -3  21  2  o 16.438  4.2849 14.026   7.0232  23.269   9.8973  4.6512   9.9677  21.108  4.8520 13.037  5.1807 8.071802       7.097934  
1 1 1 -3  21  3  o 2.7455  1.3694 -3.9695  1.4999  7.4268   8.1616  -4.3679  1.5259  13.321  4.8239 2.6896  1.3474 10.63152       5.008594  
1 1 1 -3  21  4  o 34.829  2.3909 60.391   8.1695  54.341   11.267  67.098   11.863  32.852  3.5299 36.582  3.3217 -3.729122      4.847050  
1 1 1 -3  21  5  o 41.571  2.0781 85.542   8.5267  79.961   11.561  92.197   12.626  40.025  2.9472 42.986  2.9946 -2.961281      4.201595  
1 1 1 -3  21  6  o 79.567  6.6410 323.896  51.679  311.665  73.069  336.138  73.102  76.429  9.9199 79.656  9.4842 -3.227402      13.72425  
1 1 1 -3  21  7  o 53.595  7.3045 149.316  37.635  155.418  53.053  143.135  53.395  53.400  10.440 50.980  10.939 2.419975       15.12111  
1 1 1 -3  21  8  o 61.406  1.8096 186.519  10.968  173.080  12.971  220.240  20.547  59.119  2.2229 66.576  3.1268 -7.457573      3.836401  
1 1 1 -3  21  9  o 64.000  1.2170 202.359  7.6879  190.857  10.862  213.908  10.883  62.117  1.7715 65.769  1.6765 -3.652061      2.439030  
1 1 1 -3  21  10 o 61.740  1.5756 188.470  9.6014  187.979  13.295  189.005  13.880  61.606  2.1865 61.764  2.2768 -0.1585274     3.156683  
1 1 1 -3  21  11 o 33.339  1.5867 54.965   5.2213  55.019   5.2690  52.014   38.885  33.355  1.6004 31.549  10.586 1.805738       10.70676  
1 1 1 -3  21  12 o 79.242  1.4493 310.460  11.336  322.097  16.021  298.793  16.042  80.646  2.0127 77.663  2.0927 2.983124       2.903514  
1 1 1 -3  21  13 o 30.951  1.2823 47.352   3.9174  51.847   5.4373  42.501   5.6487  32.323  1.7104 29.227  1.9696 3.095932       2.608586  
1 1 1 -3  21  14 o 50.459  1.0463 125.799  5.2110  124.162  7.3698  127.435  7.3692  50.100  1.4903 50.757  1.4709 -0.6576271     2.093975  
1 1 1 -3  21  15 o 29.297  4.0750 43.969   11.465  48.982   16.408  39.186   16.026  30.490  5.6607 27.079  6.1377 3.411272       8.349540  
1 1 1 -3  21  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  21  17 o 44.462  3.0113 99.340   13.137  103.190  19.439  96.103   17.824  44.856  4.4492 43.357  4.2184 1.498459       6.131095  
1 1 1 -3  21  18 o 24.875  4.8461 32.709   11.471  25.416   16.641  39.311   15.833  21.817  6.8999 26.916  6.1005 -5.098885      9.210052  
1 1 1 -3  21  19 o 50.081  1.2646 124.135  6.2510  128.969  7.8249  115.608  10.392  51.010  1.5541 48.195  2.1846 2.815392       2.680979  
1 1 1 -3  21  20 o 8.9730  1.9709 4.1586   1.6978  0.5936   2.0701  11.484   2.9674  5.6973  2.3263 15.058  2.0498 -9.360485      3.100560  
1 1 1 -3  22  1  o 37.821  3.2222 71.946   11.914  114.441  54.808  69.838   12.206  43.665  12.230 37.228  3.3578 6.436558       12.68231  
1 1 1 -3  22  2  o 11.666  4.6576 3.6153   8.0911  10.538   11.320  -3.6164  11.570  15.637  5.6782 11.499  5.1048 4.137962       7.635549  
1 1 1 -3  22  3  o 55.720  1.4915 153.583  8.2026  158.499  10.104  144.079  14.049  56.573  1.8094 53.833  2.6439 2.740108       3.203792  
1 1 1 -3  22  4  o 71.062  6.7399 262.614  46.709  262.648  65.629  262.579  66.493  69.125  9.9017 69.009  10.058 0.1161957      14.11385  
1 1 1 -3  22  5  o 77.692  6.7550 313.148  51.285  314.518  72.941  311.809  72.121  75.764  9.9981 75.490  9.9193 0.2736816      14.08388  
1 1 1 -3  22  6  o 70.434  1.7287 245.534  12.018  232.099  18.706  254.978  15.684  68.327  2.7737 71.710  2.2158 -3.383484      3.550106  
1 1 1 -3  22  7  o 29.712  3.7848 44.844   10.848  47.013   14.571  42.147   16.247  30.112  5.0837 28.241  6.0129 1.870977       7.873954  
1 1 1 -3  22  8  o 15.394  0.9956 11.756   1.5047  9.0109   1.8147  17.795   2.6918  13.428  1.3892 18.914  1.4530 -5.485771      2.010217  
1 1 1 -3  22  9  o 22.214  1.3400 24.485   2.9244  10.542   13.965  25.125   2.9907  16.531  6.2499 22.502  1.3528 -5.971272      6.394640  
1 1 1 -3  22  10 o 15.456  5.5269 10.546   10.675  14.583   14.616  5.9300   15.629  18.032  6.4650 15.781  6.4119 2.251203       9.105400  
1 1 1 -3  22  11 o 49.016  1.4131 118.832  6.8369  104.311  9.6577  133.419  9.6799  45.860  2.1336 51.894  1.8898 -6.033161      2.850176  
1 1 1 -3  22  12 f 33.178  1.8061 54.693   5.8923  54.302   5.9519  73.874   41.721  33.056  1.8314 35.815  10.859 -2.759155      11.01221  
1 1 1 -3  22  13 o 25.247  1.5368 31.669   3.8115  31.477   3.8696  37.908   22.079  25.167  1.5655 26.403  7.8758 -1.235281      8.029874  
1 1 1 -3  22  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  22  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  22  16 o 3.2703  1.5606 -1.8887  1.4052  -5.2492  1.8985  2.1825   2.0896  3.0351  1.5179 7.0164  2.4511 -3.981305      2.883042  
1 1 1 -3  22  17 o 69.870  1.3148 241.681  9.0672  253.257  12.831  230.133  12.815  71.422  1.8200 68.063  1.9076 3.358765       2.636555  
1 1 1 -3  22  18 o 26.370  0.9238 34.376   2.4045  40.353   3.4196  28.530   3.3817  28.554  1.2133 23.954  1.4369 4.600666       1.880666  
1 1 1 -3  22  19 o 4.4653  1.9468 -0.3143  1.6138  -7.7251  2.3346  6.4674   2.2333  3.1380  1.5843 11.219  2.0937 -8.081418      2.625561  
1 1 1 -3  22  20 o 32.101  9.5609 64.076   32.556  78.372   56.063  56.802   39.989  33.509  12.553 29.999  10.700 3.510134       16.49484  
1 1 1 -3  23  1  o 17.540  4.5981 16.200   8.0577  14.174   11.492  18.160   11.301  17.022  5.7550 18.656  5.6505 -1.634279      8.065207  
1 1 1 -3  23  2  o 81.387  6.6893 349.238  53.261  351.528  75.435  346.961  75.211  78.780  9.9211 78.216  9.9687 0.5643005      14.06427  
1 1 1 -3  23  3  o 29.990  8.0862 50.093   24.482  42.194   33.612  59.020   35.732  28.079  9.8292 32.085  10.107 -4.006786      14.09818  
1 1 1 -3  23  4  o 69.259  1.4887 237.451  10.177  244.667  15.005  231.305  13.848  70.185  2.1660 68.263  2.0553 1.921585       2.985949  
1 1 1 -3  23  5  o 46.502  1.7125 107.143  7.8602  102.776  8.7730  124.913  17.698  45.518  1.9527 49.744  3.6295 -4.226116      4.121470  
1 1 1 -3  23  6  o 97.090  2.0051 467.715  19.215  466.084  26.477  469.530  27.929  96.684  2.7745 96.989  2.9175 -0.3045197     4.026093  
1 1 1 -3  23  7  o 36.556  1.8899 66.438   6.7958  63.199   7.0348  111.682  26.293  35.634  2.0083 46.189  5.9022 -10.55514      6.234541  
1 1 1 -3  23  8  f 28.140  1.1559 39.149   3.2105  35.405   4.4937  43.053   4.5884  26.677  1.7157 29.444  1.5847 -2.766815      2.335557  
1 1 1 -3  23  9  o 27.512  4.7784 39.528   12.505  31.519   16.468  50.434   19.218  24.147  6.6829 30.556  6.5674 -6.409006      9.369741  
1 1 1 -3  23  10 o 49.083  1.7297 119.402  8.3797  117.071  9.2510  130.059  19.779  48.576  1.9294 50.619  3.9911 -2.042213      4.432999  
1 1 1 -3  23  11 o 38.499  3.5107 75.069   13.194  64.520   18.108  87.007   19.264  35.048  5.4086 41.021  4.8517 -5.973232      7.265770  
1 1 1 -3  23  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -3  23  13 o 21.384  8.7699 14.454   29.584  10.440   40.073  19.262   43.858  22.982  9.8586 24.933  10.488 -1.951694      14.39424  
1 1 1 -3  23  14 o 81.210  1.6864 327.127  13.518  333.790  18.062  318.642  20.382  81.878  2.2350 79.880  2.5851 1.998039       3.417293  
1 1 1 -3  23  15 o 57.674  2.5156 166.118  14.321  174.347  20.378  158.089  20.129  58.651  3.5367 55.780  3.6766 2.870693       5.101584  
1 1 1 -3  23  16 o 16.453  1.2629 13.479   2.0352  16.474   2.9615  10.799   2.8016  18.145  1.6724 14.603  1.9960 3.542111       2.604025  
1 1 1 -3  23  17 o 86.707  2.3139 375.227  19.803  401.162  27.888  348.849  28.125  89.220  3.1668 83.050  3.4309 6.169785       4.669037  
1 1 1 -3  23  18 o 76.836  2.4103 295.249  18.280  309.941  26.459  281.831  25.285  78.200  3.4279 74.565  3.4355 3.634720       4.853136  
1 1 1 -3  24  1  o 98.614  6.8257 521.427  66.030  522.545  93.997  520.338  92.775  94.196  10.277 94.193  10.139 0.2166748E-02  14.43605  
1 1 1 -3  24  2  o 17.387  1.2494 15.036   2.1299  14.926   2.1569  19.337   13.502  17.321  1.2705 19.285  6.2276 -1.964123      6.355888  
1 1 1 -3  24  3  o 56.174  2.1136 156.886  11.719  193.169  55.548  155.196  11.989  57.342  10.188 55.858  2.1744 1.483570       10.41704  
1 1 1 -3  24  4  o 65.420  1.6799 212.198  10.847  213.805  16.273  210.913  14.552  65.479  2.5179 65.098  2.2647 0.3800964      3.386523  
1 1 1 -3  24  5  o 57.609  1.7398 164.608  9.8930  162.082  11.787  170.631  18.199  57.102  2.0912 58.232  3.1783 -1.130768      3.804586  
1 1 1 -3  24  6  o 30.898  3.7368 48.862   11.165  46.855   15.393  51.091   16.218  29.676  5.4563 31.002  5.5012 -1.326509      7.748192  
1 1 1 -3  24  7  o 64.215  1.5282 204.312  9.6859  182.212  13.511  227.679  13.893  60.500  2.2626 67.674  2.0799 -7.173588      3.073276  
1 1 1 -3  24  8  o 5.3351  2.3019 -0.2326  2.2088  -0.4566  2.2303  11.201   15.935  5.2342  2.2852 17.094  6.6220 -11.85961      7.005179  
1 1 1 -3  24  9  o 50.195  2.7203 126.320  13.427  123.017  17.702  130.794  20.604  49.218  3.6703 50.557  4.1660 -1.338306      5.552177  
1 1 1 -3  24  10 o 2.8233  1.3813 -2.4899  1.2856  -5.0172  1.6397  1.5425   2.0712  2.7149  1.3651 6.4374  2.4126 -3.722541      2.772049  
1 1 1 -3  24  11 o 63.263  8.6464 227.381  52.577  229.043  64.391  224.057  91.072  61.064  11.092 53.948  15.974 7.115292       19.44701  
1 1 1 -3  24  12 o 29.836  5.3804 47.573   15.262  36.254   22.457  57.288   20.805  25.396  8.0136 32.180  6.7649 -6.783297      10.48723  
1 1 1 -3  24  13 o 26.940  4.6345 38.274   11.879  23.296   16.828  53.153   16.772  20.944  6.9632 31.451  5.6085 -10.50656      8.941021  
1 1 1 -3  24  14 o 51.755  1.9056 133.197  9.7344  133.358  10.427  132.102  27.168  51.757  2.0410 49.863  5.6181 1.894531       5.977362  
1 1 1 -3  24  15 o 21.701  5.6020 25.756   12.081  24.465   17.043  27.059   17.128  21.255  7.0049 22.141  6.9998 -0.8863506     9.902851  
1 1 1 -3  24  16 o 37.882  0.9653 70.979   3.6093  76.876   5.1057  65.089   5.1029  39.387  1.3133 36.229  1.4270 3.158337       1.939354  
1 1 1 -3  24  17 o 21.042  6.2923 24.652   14.080  24.332   25.636  24.790   16.849  21.972  8.4292 21.170  6.9642 0.8016891      10.93401  
1 1 1 -3  25  4  o 38.822  8.2316 87.157   30.564  89.669   43.513  84.710   42.941  37.296  11.041 36.269  11.021 1.027237       15.60008  
1 1 1 -3  25  5  f 78.988  1.8643 310.109  14.535  296.725  18.628  330.935  23.237  77.066  2.4489 81.189  2.8997 -4.122971      3.795488  
1 1 1 -3  25  6  o 20.376  5.2382 22.428   10.593  21.450   14.581  23.522   15.417  20.066  6.4706 20.889  6.6450 -0.8226795     9.274980  
1 1 1 -3  25  7  o 24.662  0.9837 30.076   2.3946  27.898   4.0157  31.278   2.9831  23.641  1.7330 25.138  1.2023 -1.496572      2.109198  
1 1 1 -3  25  8  o 21.919  1.7588 24.013   3.7730  23.938   3.8699  25.447   16.969  21.877  1.8084 21.654  6.9803 0.2227039      7.210758  
1 1 1 -3  25  9  o 21.093  7.8896 21.493   22.128  21.000   31.977  21.945   30.652  22.677  9.1864 22.632  9.0550 0.4489708E-01  12.89895  
1 1 1 -3  25  10 o 29.902  2.3043 44.888   6.7485  42.528   6.8308  141.087  43.616  29.079  2.4014 48.528  9.4458 -19.44853      9.746282  
1 1 1 -3  25  11 o 53.798  1.9799 144.083  10.514  137.133  12.086  165.707  21.316  52.394  2.3370 56.911  3.8169 -4.516697      4.475478  
1 1 1 -3  25  12 o 5.4970  2.2328 0.6096   1.8945  -1.8690  2.5903  3.4607   2.7781  5.0074  2.2990 8.5093  2.8293 -3.501925      3.645595  
1 1 1 -3  25  13 o 59.819  2.5561 179.403  15.092  193.524  21.371  165.355  21.315  61.601  3.5295 56.766  3.8266 4.835594       5.205791  
1 1 1 -3  25  14 o 23.962  1.1072 28.425   2.6186  18.923   3.6274  38.765   3.7839  19.397  1.9199 27.959  1.3712 -8.561636      2.359227  
1 1 1 -3  25  15 o 60.091  7.7065 209.120  44.656  221.910  63.079  196.269  63.227  56.976  11.611 52.249  12.439 4.727325       17.01568  
1 1 1 -2  -23 1  f 110.436 1.8142 604.287  19.776  624.489  28.601  585.781  27.374  112.038 2.5863 108.520 2.5556 3.517487       3.635960  
1 1 1 -2  -23 2  o 35.926  7.8690 71.075   27.131  61.305   38.458  80.755   38.281  32.754  10.503 37.338  10.130 -4.583813      14.59220  
1 1 1 -2  -22 1  o 103.071 1.7408 525.906  17.710  542.602  25.605  510.591  24.522  104.528 2.4817 101.406 2.4500 3.122169       3.487294  
1 1 1 -2  -22 2  f 75.630  1.9284 283.379  14.395  286.860  17.478  276.039  25.381  76.025  2.3292 74.326  3.4597 1.699333       4.170689  
1 1 1 -2  -22 3  o 20.998  3.5539 22.649   7.1030  19.673   8.7333  28.464   12.209  19.360  4.6322 23.195  5.4286 -3.835442      7.136374  
1 1 1 -2  -21 1  o 96.852  1.5815 463.858  15.118  463.337  21.971  464.326  20.836  96.690  2.3021 96.814  2.1804 -0.1241226     3.170794  
1 1 1 -2  -21 2  o 95.438  1.5870 450.509  14.949  455.640  22.045  446.141  20.341  95.857  2.3300 94.882  2.1720 0.9749832      3.185300  
1 1 1 -2  -21 3  o 72.639  1.5707 260.996  11.262  255.151  16.031  266.691  15.824  71.733  2.2641 73.349  2.1857 -1.615997      3.146974  
1 1 1 -2  -21 4  o 30.035  8.0987 48.961   24.557  51.595   36.513  46.786   33.184  31.028  10.254 29.685  9.7739 1.343338       14.16610  
1 1 1 -2  -21 5  o 25.348  2.1716 32.098   5.3808  32.834   6.6009  30.640   9.2896  25.564  2.6547 24.411  3.9936 1.153093       4.795479  
1 1 1 -2  -20 1  o 81.859  1.4749 331.108  11.917  335.626  17.718  327.376  16.103  82.355  2.1796 81.353  2.0054 1.001686       2.961804  
1 1 1 -2  -20 2  o 20.381  3.0838 21.083   6.0096  28.792   9.0422  14.983   8.0429  23.714  4.0058 17.031  4.6526 6.682573       6.139474  
1 1 1 -2  -20 3  o 79.879  6.5142 326.871  50.913  315.987  72.104  337.694  71.900  76.857  9.7222 79.729  9.3120 -2.871994      13.46234  
1 1 1 -2  -20 4  o 35.822  2.1981 63.818   7.7342  57.862   9.1735  78.459   14.382  34.025  2.7552 39.475  3.7357 -5.450264      4.641841  
1 1 1 -2  -20 5  o 8.2458  3.5279 -0.1834  5.1074  -0.2037  6.3517  -0.1463  8.5911  9.1919  3.9335 10.704  4.5775 -1.512157      6.035439  
1 1 1 -2  -20 6  o 77.177  1.3362 294.438  10.179  306.389  13.834  280.334  15.029  78.677  1.7815 75.225  2.0241 3.451698       2.696451  
1 1 1 -2  -19 1  o 80.164  1.3743 317.393  10.874  304.041  15.233  331.267  15.528  78.427  1.9678 81.867  1.9217 -3.439209      2.750490  
1 1 1 -2  -19 2  o 64.040  6.4248 208.242  40.063  227.943  56.599  188.459  56.717  66.226  8.8824 59.726  9.9726 6.499794       13.35472  
1 1 1 -2  -19 3  o 67.081  1.3499 222.294  8.9378  224.780  12.795  219.925  12.490  67.420  1.9228 66.690  1.8974 0.7303696      2.701359  
1 1 1 -2  -19 4  f 10.147  3.5823 4.4675   4.4710  7.5863   6.4009  1.4963   6.2477  12.748  4.2951 9.7782  4.0225 2.969912       5.884638  
1 1 1 -2  -19 5  o 73.019  1.2442 263.434  8.9671  259.073  12.668  267.813  12.695  72.370  1.7734 73.583  1.7479 -1.213013      2.490021  
1 1 1 -2  -19 6  o 98.719  1.4434 481.742  14.064  453.714  19.450  512.459  20.361  95.724  2.0586 101.737 2.0276 -6.013466      2.889455  
1 1 1 -2  -19 7  o 43.556  6.9266 99.450   28.781  109.253  41.437  90.313   40.005  44.600  9.6899 40.358  10.074 4.242237       13.97804  
1 1 1 -2  -18 1  o 34.727  7.4079 62.805   24.617  60.000   34.093  65.859   35.582  33.917  9.6972 35.431  9.8294 -1.514427      13.80772  
1 1 1 -2  -18 2  o 89.865  1.6610 398.937  14.733  388.165  17.582  424.328  26.994  88.623  2.0100 92.584  2.9540 -3.960197      3.572950  
1 1 1 -2  -18 3  f 73.186  1.2159 264.493  8.7831  259.047  12.500  269.804  12.344  72.406  1.7490 73.897  1.6924 -1.490891      2.433759  
1 1 1 -2  -18 4  f 95.068  1.3725 446.427  12.879  453.868  18.033  438.680  18.399  95.818  1.9067 94.195  1.9789 1.623047       2.748031  
1 1 1 -2  -18 5  o 21.488  1.9548 23.023   4.1007  21.005   5.7010  25.185   5.9027  20.379  2.9175 22.381  2.7285 -2.001364      3.994540  
1 1 1 -2  -18 6  o 73.473  1.1584 266.648  8.4006  259.672  11.611  274.312  12.170  72.475  1.6230 74.488  1.6552 -2.012451      2.318204  
1 1 1 -2  -18 7  o 67.480  1.4893 225.088  9.9194  211.285  12.707  246.624  15.872  65.340  1.9702 70.559  2.2790 -5.219910      3.012557  
1 1 1 -2  -18 8  o 40.446  7.0138 85.874   26.985  95.790   38.128  75.923   38.198  41.919  9.4419 37.155  10.135 4.764393       13.85164  
1 1 1 -2  -18 9  o 80.029  6.4580 329.212  50.578  345.319  71.888  313.423  71.174  80.365  9.2301 76.243  9.6756 4.122536       13.37205  
1 1 1 -2  -17 1  o 79.405  2.7766 311.835  21.762  426.540  72.667  300.535  22.808  91.795  8.1034 77.941  2.9648 13.85406       8.628751  
1 1 1 -2  -17 2  o 79.750  1.3598 314.048  10.703  309.311  13.183  323.210  18.335  79.135  1.6878 80.865  2.2971 -1.730026      2.850508  
1 1 1 -2  -17 3  o 134.712 1.7382 896.436  23.112  884.753  32.659  908.155  32.711  133.767 2.4735 135.527 2.4453 -1.760437      3.478204  
1 1 1 -2  -17 4  o 189.564 2.9335 1778.67  54.888  1762.98  95.328  1786.45  67.133  188.156 5.1330 189.840 3.5827 -1.684799      6.259677  
1 1 1 -2  -17 5  o 41.986  1.0985 87.040   4.5522  95.468   6.7629  80.057   6.1555  43.961  1.5586 40.257  1.5491 3.704128       2.197518  
1 1 1 -2  -17 6  o 90.581  6.3522 414.705  56.434  421.173  80.005  408.300  79.615  90.189  9.1123 88.737  9.2248 1.452225       12.96653  
1 1 1 -2  -17 7  o 82.882  1.5943 339.525  13.043  304.016  17.715  381.557  19.274  78.367  2.2902 87.801  2.2240 -9.434608      3.192358  
1 1 1 -2  -17 8  o 55.693  6.5504 159.388  35.320  159.746  50.580  159.046  49.343  54.516  9.7582 54.495  9.5199 0.2062607E-01  13.63272  
1 1 1 -2  -17 9  o 29.842  7.3394 47.351   21.468  44.898   31.006  49.611   29.755  29.395  9.4313 30.548  9.1498 -1.152958      13.14038  
1 1 1 -2  -17 10 o 79.184  6.5379 321.790  50.641  313.535  71.733  329.993  71.503  76.436  9.7285 78.643  9.3976 -2.207436      13.52623  
1 1 1 -2  -16 1  o 197.258 2.4300 1923.12  47.312  1909.52  66.904  1936.73  66.914  196.413 3.4510 197.811 3.4272 -1.398209      4.863621  
1 1 1 -2  -16 2  o 10.232  3.9043 3.5436   5.4818  10.880   17.216  2.7158   5.7827  17.989  6.9061 10.024  3.9578 7.964966       7.959816  
1 1 1 -2  -16 3  o 129.665 1.6674 830.354  21.340  842.071  30.361  818.912  30.002  130.529 2.3565 128.721 2.3614 1.807816       3.336085  
1 1 1 -2  -16 4  o 152.801 1.9068 1153.44  28.759  1131.38  40.683  1175.46  40.658  151.253 2.7251 154.178 2.6717 -2.924438      3.816295  
1 1 1 -2  -16 5  o 141.921 1.8932 995.117  26.521  1029.27  37.603  961.314  37.410  144.261 2.6408 139.409 2.7187 4.852371       3.790157  
1 1 1 -2  -16 6  o 85.606  6.3251 368.720  53.066  357.243  75.298  380.044  74.797  83.336  9.3134 86.119  8.9291 -2.783226      12.90225  
1 1 1 -2  -16 7  o 97.926  1.7562 473.894  16.975  454.132  23.524  495.363  24.519  95.799  2.4878 100.054 2.4828 -4.254868      3.514739  
1 1 1 -2  -16 8  o 48.872  6.5007 122.474  30.580  142.701  43.816  103.264  42.700  52.069  8.8417 43.770  10.090 8.298592       13.41610  
1 1 1 -2  -16 9  o 48.817  6.6877 122.892  31.377  112.379  44.851  132.970  43.912  45.464  10.241 49.919  9.2529 -4.454998      13.80181  
1 1 1 -2  -16 10 o 71.768  6.3616 262.834  44.597  290.388  63.369  235.795  62.774  74.396  8.8001 66.441  9.8722 7.954727       13.22509  
1 1 1 -2  -16 11 o 69.146  6.4412 245.066  43.455  244.544  61.491  245.587  61.420  67.672  9.4650 67.838  9.4276 -0.1660995     13.35912  
1 1 1 -2  -15 1  o 32.255  1.1130 51.359   3.5433  54.598   4.5116  46.145   5.7241  33.254  1.3745 30.506  1.9107 2.748158       2.353701  
1 1 1 -2  -15 2  o 122.823 1.5811 744.924  19.168  730.151  26.948  760.051  27.270  121.564 2.2459 124.029 2.2275 -2.465210      3.163250  
1 1 1 -2  -15 3  o 73.316  1.5160 265.418  10.971  325.943  63.525  263.558  11.138  80.260  8.1311 73.058  1.5446 7.202278       8.276511  
1 1 1 -2  -15 4  o 64.989  0.9902 208.493  6.3521  209.743  8.9671  207.234  8.9993  65.176  1.3939 64.785  1.4073 0.3912964      1.980801  
1 1 1 -2  -15 5  o 66.167  6.2640 220.116  40.423  225.960  57.122  214.255  57.210  66.433  8.9382 64.581  9.2383 1.852097       12.85447  
1 1 1 -2  -15 6  o 117.064 1.5378 676.758  17.768  662.735  25.085  690.880  25.172  115.805 2.1946 118.241 2.1568 -2.436096      3.077026  
1 1 1 -2  -15 7  o 125.228 2.8929 776.026  35.758  961.727  112.053 754.972  37.730  137.851 8.2736 123.493 3.0954 14.35763       8.833686  
1 1 1 -2  -15 8  o 41.829  6.7969 90.051   27.099  82.473   38.512  97.483   38.138  39.374  9.9154 42.950  9.2682 -3.575356      13.57260  
1 1 1 -2  -15 9  o 91.140  6.3358 419.898  56.642  427.569  80.172  412.252  80.036  90.873  9.0591 89.137  9.2306 1.735786       12.93334  
1 1 1 -2  -15 10 o 100.972 6.4470 517.227  63.917  515.669  91.333  518.722  89.481  99.310  9.4306 99.744  9.1924 -0.4333725     13.16951  
1 1 1 -2  -15 11 o 75.450  6.4042 290.035  47.243  304.034  66.490  275.764  67.137  76.128  9.0244 72.148  9.6709 3.979729       13.22750  
1 1 1 -2  -15 12 o 45.005  6.7720 105.217  29.150  108.690  41.472  101.827  40.981  44.729  9.6750 43.213  9.8297 1.515816       13.79238  
1 1 1 -2  -14 1  o 150.814 1.8938 1123.30  28.191  1117.07  39.783  1129.58  39.954  150.342 2.6809 151.182 2.6775 -0.8395233     3.788932  
1 1 1 -2  -14 2  o 163.748 2.4729 1324.96  39.969  1240.66  68.817  1367.87  49.099  158.236 4.4061 166.329 2.9907 -8.093414      5.325225  
1 1 1 -2  -14 3  o 132.410 1.6573 865.765  21.660  862.899  30.663  868.618  30.599  132.152 2.3508 132.590 2.3381 -0.4380798     3.315562  
1 1 1 -2  -14 4  o 115.022 6.2867 660.469  71.103  637.100  100.461 683.926  100.650 112.248 9.1470 116.419 8.8246 -4.171364      12.70991  
1 1 1 -2  -14 5  o 125.478 6.3654 786.061  78.578  776.695  111.075 795.444  111.177 123.974 9.1418 125.503 9.0353 -1.528915      12.85336  
1 1 1 -2  -14 6  o 76.579  1.4234 289.557  10.759  265.229  15.044  315.025  15.393  73.272  2.0802 79.859  1.9528 -6.587456      2.853207  
1 1 1 -2  -14 7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -14 8  o 34.156  6.9686 60.468   22.697  52.556   32.328  68.160   31.874  31.969  9.5287 36.036  8.9908 -4.066502      13.10077  
1 1 1 -2  -14 9  o 60.182  6.3472 183.312  37.135  170.423  52.519  196.198  52.514  57.081  9.6667 61.582  8.8975 -4.501354      13.13813  
1 1 1 -2  -14 10 o 35.209  6.9825 64.628   23.409  66.887   33.132  62.376   33.078  35.466  9.3366 34.300  9.4625 1.165588       13.29330  
1 1 1 -2  -14 11 o 107.421 6.4083 584.342  67.637  571.423  95.638  597.269  95.669  104.745 9.3487 107.233 9.1256 -2.487877      13.06422  
1 1 1 -2  -14 12 o 46.054  6.6594 109.470  29.393  103.243  41.535  115.717  41.600  43.699  9.8635 46.477  9.3914 -2.777596      13.61941  
1 1 1 -2  -14 13 o 150.993 6.7184 1159.53  100.128 1191.71  141.774 1127.49  141.432 150.530 9.5920 146.148 9.8621 4.381409       13.75744  
1 1 1 -2  -13 1  o 54.557  0.8735 146.914  4.7039  138.624  6.3192  157.215  7.0444  52.993  1.2081 56.434  1.2647 -3.440990      1.748967  
1 1 1 -2  -13 2  o 63.162  0.8522 196.913  5.3128  203.865  7.2837  189.010  7.7663  64.264  1.1483 61.877  1.2716 2.387272       1.713341  
1 1 1 -2  -13 3  o 170.197 2.2001 1430.91  36.959  1397.80  52.281  1463.98  52.254  168.135 3.1503 172.077 3.0766 -3.941666      4.403384  
1 1 1 -2  -13 4  o 117.465 7.3339 690.834  84.607  693.893  103.514 684.677  146.847 117.304 9.0092 115.151 13.156 2.152122       15.94520  
1 1 1 -2  -13 5  o 135.205 6.4051 909.765  85.477  881.626  120.818 937.964  120.948 132.173 9.3207 136.440 9.0321 -4.266953      12.97898  
1 1 1 -2  -13 6  o 93.780  1.6483 434.288  15.258  436.183  21.610  432.403  21.546  93.958  2.3301 93.550  2.3334 0.4081726      3.297637  
1 1 1 -2  -13 7  o 215.955 7.2994 2328.99  155.591 2225.90  221.190 2429.97  218.905 209.441 10.736 219.406 10.108 -9.964874      14.74554  
1 1 1 -2  -13 8  f 130.696 13.368 887.567  170.017 0.0000   0.0000  887.567  170.017 ?       ?      130.696 13.368 0.000000       13.36757  
1 1 1 -2  -13 9  o 115.626 6.4274 669.495  73.065  643.139  102.391 696.839  104.293 112.429 9.3105 117.137 9.0917 -4.707870      13.01324  
1 1 1 -2  -13 10 o 18.265  6.5484 14.214   14.996  0.3746   21.524  27.267   20.903  17.083  7.2740 23.685  7.7554 -6.602158      10.63278  
1 1 1 -2  -13 11 o 87.952  6.2700 390.294  54.075  406.221  76.595  374.467  76.352  88.796  8.8575 85.064  9.2424 3.731407       12.80145  
1 1 1 -2  -13 12 o 92.513  7.3610 437.101  66.660  427.917  81.519  455.636  115.808 90.667  9.2382 91.224  13.249 -0.5571289     16.15187  
1 1 1 -2  -13 13 o 96.864  6.3646 475.789  60.512  474.092  85.742  477.472  85.414  95.311  9.2297 95.694  9.1547 -0.3828125     12.99986  
1 1 1 -2  -13 14 o 140.696 6.6379 1005.48  92.182  1019.25  130.480 991.758  130.251 139.294 9.5479 137.285 9.6741 2.008240       13.59232  
1 1 1 -2  -12 1  o 226.900 2.8956 2543.38  64.849  2543.46  89.926  2543.29  93.605  226.799 4.0171 226.773 4.1819 0.2607727E-01  5.798731  
1 1 1 -2  -12 2  o 32.970  0.8127 53.650   2.6447  62.587   4.0413  46.956   3.4977  35.608  1.1498 30.843  1.1489 4.765533       1.625466  
1 1 1 -2  -12 3  o 85.132  8.8043 365.825  72.912  365.825  72.912  0.0000   0.0000  85.132  8.8043 ?       ?      0.000000       8.804270  
1 1 1 -2  -12 4  o 82.124  1.2065 332.933  9.7796  354.839  17.334  322.704  11.845  84.761  2.0719 80.847  1.4843 3.914215       2.548707  
1 1 1 -2  -12 5  o 84.906  1.0480 355.854  8.7827  365.170  12.420  346.535  12.422  86.002  1.4631 83.778  1.5022 2.223969       2.096923  
1 1 1 -2  -12 6  o 96.228  6.2521 462.366  59.061  480.394  84.356  445.030  82.719  97.536  8.8589 93.802  9.0465 3.733635       12.66169  
1 1 1 -2  -12 7  o 82.818  6.1685 342.928  50.062  330.412  70.789  355.451  70.808  80.683  9.0447 83.804  8.6864 -3.121750      12.54032  
1 1 1 -2  -12 8  o 42.590  6.3498 92.215   25.877  87.648   36.575  96.792   36.617  40.981  9.2602 43.161  8.8910 -2.180405      12.83754  
1 1 1 -2  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -12 10 f 24.876  6.9524 31.824   17.732  35.597   25.246  28.151   24.911  26.792  8.5014 24.683  8.4720 2.109180       12.00203  
1 1 1 -2  -12 11 o 100.155 6.3596 503.829  62.543  482.507  89.211  524.438  87.707  96.995  9.4378 101.379 8.8538 -4.384300      12.94071  
1 1 1 -2  -12 12 o 46.008  6.5517 108.424  28.912  90.329   40.753  126.760  41.023  41.090  10.116 49.191  8.7706 -8.101566      13.38874  
1 1 1 -2  -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -12 14 o 63.528  7.4596 207.968  45.885  200.636  78.841  211.724  56.425  59.666  13.679 63.395  9.2933 -3.728878      16.53749  
1 1 1 -2  -11 1  o 191.304 2.4076 1807.07  45.462  1807.42  66.321  1806.75  62.441  191.268 3.5130 191.245 3.3078 0.2343750E-01  4.825219  
1 1 1 -2  -11 2  o 167.359 9.5177 1399.74  156.572 0.0000   0.0000  1399.74  156.572 ?       ?      167.359 9.5177 0.000000       9.517661  
1 1 1 -2  -11 3  o 127.349 1.6374 800.647  20.582  823.341  29.139  778.050  29.077  129.121 2.2864 125.517 2.3470 3.603775       3.276543  
1 1 1 -2  -11 4  o 88.742  1.2671 388.748  11.099  387.995  18.661  389.159  13.806  88.637  2.1330 88.784  1.5755 -0.1464081     2.651744  
1 1 1 -2  -11 5  o 116.799 2.0401 673.731  23.519  720.917  32.402  621.180  34.194  120.788 2.7178 112.101 3.0903 8.686470       4.115367  
1 1 1 -2  -11 6  o 194.699 10.113 1909.99  193.678 1832.16  277.295 1984.14  270.630 188.363 15.040 196.614 14.038 -8.251099      20.57325  
1 1 1 -2  -11 7  o 9.9830  4.2734 -0.4128  7.5009  -3.8713  10.415  3.3143   10.812  10.901  4.8411 13.121  5.3323 -2.220206      7.202033  
1 1 1 -2  -11 8  o 43.162  6.3887 94.622   26.395  71.788   37.237  117.683  37.420  37.146  9.9543 47.871  8.2154 -10.72504      12.90668  
1 1 1 -2  -11 9  o 174.639 6.8359 1519.64  117.834 1559.24  165.632 1479.05  167.671 175.850 9.5788 171.103 9.9713 4.747147       13.82679  
1 1 1 -2  -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -11 11 o 188.730 6.9886 1780.87  130.187 1710.12  184.048 1851.72  184.175 183.344 10.211 191.027 9.8009 -7.683334      14.15335  
1 1 1 -2  -11 12 o 124.591 6.4945 779.095  79.590  771.572  113.770 786.305  111.383 122.852 9.4551 124.159 9.1533 -1.307114      13.15986  
1 1 1 -2  -11 13 o 71.778  6.2802 260.512  44.046  258.403  62.404  262.607  62.176  70.547  9.1794 71.173  9.0557 -0.6253357     12.89447  
1 1 1 -2  -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -11 15 o 45.599  6.5763 107.099  28.743  112.777  40.816  101.514  40.484  45.955  9.3171 43.442  9.6882 2.513683       13.44131  
1 1 1 -2  -10 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -10 2  o 65.304  0.9213 210.483  5.9383  207.999  8.0834  213.397  8.7525  64.916  1.2616 65.752  1.3486 -0.8364334     1.846703  
1 1 1 -2  -10 3  o 91.718  1.1393 415.204  10.314  423.608  14.758  407.181  14.420  92.636  1.6141 90.822  1.6086 1.813866       2.278762  
1 1 1 -2  -10 4  o 55.993  0.7654 154.742  4.2304  154.335  5.2909  155.463  7.0438  55.919  0.9586 56.120  1.2716 -0.2016640     1.592448  
1 1 1 -2  -10 5  o 106.226 1.8670 557.156  19.575  535.284  27.605  579.277  27.762  104.094 2.6868 108.290 2.5974 -4.196587      3.737004  
1 1 1 -2  -10 6  o 49.378  12.423 127.993  60.492  127.993  60.492  0.0000   0.0000  49.378  12.423 ?       ?      0.000000       12.42251  
1 1 1 -2  -10 7  o 193.833 9.9626 1890.74  189.960 1890.74  189.960 0.0000   0.0000  193.833 9.9626 ?       ?      0.000000       9.962584  
1 1 1 -2  -10 8  o 124.761 9.0818 783.552  111.069 783.552  111.069 0.0000   0.0000  124.761 9.0818 ?       ?      0.000000       9.081780  
1 1 1 -2  -10 9  o 16.215  6.3066 8.0707   14.498  1.9910   20.550  14.095   20.456  17.106  7.1866 19.926  7.5567 -2.820095      10.42840  
1 1 1 -2  -10 10 o 32.839  6.7547 55.645   21.163  54.425   29.670  56.909   30.196  32.452  8.9656 33.145  8.9987 -0.6929779     12.70266  
1 1 1 -2  -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -10 12 o 141.544 6.5216 1000.04  91.112  976.090  128.851 1024.00  128.854 138.675 9.4703 142.147 9.2339 -3.472214      13.22691  
1 1 1 -2  -10 13 o 42.347  6.6809 91.946   26.999  83.877   38.573  99.696   37.804  39.799  9.8681 43.567  9.0853 -3.768379      13.41353  
1 1 1 -2  -10 14 o 55.466  6.4373 156.573  34.587  164.779  49.111  148.498  48.719  56.092  9.1888 53.032  9.6633 3.059551       13.33466  
1 1 1 -2  -10 15 o 38.758  9.4817 80.475   35.975  95.648   51.868  66.410   49.939  41.894  11.955 35.949  11.998 5.945499       16.93692  
1 1 1 -2  -10 16 o 89.992  6.3302 410.629  55.870  427.562  79.490  394.099  78.542  90.632  9.0051 86.829  9.3095 3.802338       12.95218  
1 1 1 -2  -9  1  o 54.225  0.7606 145.117  4.0707  124.171  6.1756  161.210  5.4131  50.158  1.2474 57.152  0.9596 -6.994308      1.573783  
1 1 1 -2  -9  2  o 120.051 1.5235 711.382  18.053  779.723  25.582  643.584  25.480  125.677 2.0622 114.176 2.2609 11.50083       3.060157  
1 1 1 -2  -9  3  o 424.089 4.9376 8891.51  206.683 8845.22  292.292 8937.81  292.295 422.610 7.0072 424.824 6.9707 -2.213867      9.883924  
1 1 1 -2  -9  4  o 62.378  0.8274 192.042  5.0942  201.197  8.9624  187.672  6.1917  63.844  1.4222 61.664  1.0173 2.180473       1.748600  
1 1 1 -2  -9  5  o 60.957  7.0774 186.807  41.790  184.709  72.394  187.856  51.179  59.571  12.700 60.835  8.7771 -1.264641      15.43800  
1 1 1 -2  -9  6  o 50.854  8.9856 132.702  43.453  0.0000   0.0000  132.702  43.453  ?       ?      50.854  8.9856 0.000000       8.985586  
1 1 1 -2  -9  7  o 202.375 10.034 2052.65  200.435 0.0000   0.0000  2052.65  200.435 ?       ?      202.375 10.034 0.000000       10.03424  
1 1 1 -2  -9  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -9  9  o 106.318 8.9308 569.507  92.851  569.507  92.851  0.0000   0.0000  106.318 8.9308 ?       ?      0.000000       8.930782  
1 1 1 -2  -9  10 o 153.198 9.5997 1182.32  144.426 1182.32  144.426 0.0000   0.0000  153.198 9.5997 ?       ?      0.000000       9.599750  
1 1 1 -2  -9  11 o 90.858  6.2017 412.387  55.285  396.323  78.330  428.331  78.039  88.445  9.1027 92.083  8.6888 -3.638863      12.58393  
1 1 1 -2  -9  12 o 75.958  13.615 304.433  98.327  0.0000   0.0000  304.433  98.327  ?       ?      75.958  13.615 0.000000       13.61505  
1 1 1 -2  -9  13 o 101.350 6.3632 514.538  63.332  523.483  90.486  505.949  88.672  101.449 9.1344 99.731  9.1084 1.717476       12.89964  
1 1 1 -2  -9  14 o 95.287  6.3108 456.379  59.018  448.605  83.526  464.130  83.404  93.540  9.1644 95.228  8.9794 -1.688263      12.83025  
1 1 1 -2  -9  15 o 15.448  5.9662 7.8629   12.905  1.6033   18.638  13.628   17.886  16.151  6.8178 18.890  7.0877 -2.738852      9.834505  
1 1 1 -2  -9  16 o 72.509  6.3697 266.759  45.125  272.949  64.616  260.866  63.046  72.284  9.2703 70.646  9.2648 1.638016       13.10628  
1 1 1 -2  -9  17 o 70.927  6.3689 256.031  44.112  269.952  62.528  242.238  62.241  71.793  9.0231 67.713  9.5800 4.080612       13.16025  
1 1 1 -2  -8  1  o 240.771 2.9122 2862.40  69.210  2938.87  97.883  2785.95  97.872  243.909 4.0658 237.472 4.1755 6.436951       5.828019  
1 1 1 -2  -8  2  o 72.348  0.9783 258.334  6.9862  246.211  11.699  265.053  8.7096  70.626  1.6783 73.282  1.2041 -2.655655      2.065536  
1 1 1 -2  -8  3  o 177.774 2.5716 1560.34  45.124  1594.86  55.750  1494.77  76.836  179.712 3.1429 173.926 4.4757 5.785172       5.469041  
1 1 1 -2  -8  4  o 78.107  1.2531 301.111  9.6608  283.649  13.624  318.771  13.701  75.804  1.8209 80.361  1.7273 -4.556984      2.509860  
1 1 1 -2  -8  5  o 258.382 8.9213 3316.28  227.523 3257.15  278.604 3434.68  394.232 255.628 11.042 260.867 15.379 -5.238480      18.93236  
1 1 1 -2  -8  6  o 180.512 6.7989 1615.86  121.137 1597.80  171.295 1633.92  171.332 178.793 9.7432 180.834 9.6337 -2.040970      13.70179  
1 1 1 -2  -8  7  o 142.638 6.4359 1009.48  90.610  1037.80  128.214 981.222  128.071 143.971 9.0689 139.917 9.3270 4.053589       13.00916  
1 1 1 -2  -8  8  o 51.275  12.488 137.992  62.617  0.0000   0.0000  137.992  62.617  ?       ?      51.275  12.488 0.000000       12.48825  
1 1 1 -2  -8  9  o 26.786  8.4275 35.412   24.853  0.0000   0.0000  35.412   24.853  ?       ?      26.786  8.4275 0.000000       8.427487  
1 1 1 -2  -8  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -8  11 o 130.137 9.1567 852.610  116.868 852.610  116.868 0.0000   0.0000  130.137 9.1567 ?       ?      0.000000       9.156688  
1 1 1 -2  -8  12 o 57.715  9.0939 170.941  50.090  170.941  50.090  0.0000   0.0000  57.715  9.0939 ?       ?      0.000000       9.093860  
1 1 1 -2  -8  13 o 230.433 7.4825 2654.20  170.186 2627.73  240.707 2680.66  240.650 227.773 10.707 230.117 10.595 -2.343307      15.06281  
1 1 1 -2  -8  14 o 42.600  6.8240 92.942   27.725  89.901   39.487  95.898   38.937  41.307  9.8275 42.729  9.4800 -1.422203      13.65470  
1 1 1 -2  -8  15 o 23.213  6.9235 27.425   17.063  21.897   24.574  32.572   23.711  22.896  8.3584 25.642  8.2497 -2.746120      11.74395  
1 1 1 -2  -8  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -8  17 o 41.675  6.7686 89.833   26.887  89.445   38.266  90.211   37.786  40.825  9.6490 41.032  9.5148 -0.2071915     13.55118  
1 1 1 -2  -7  1  o 108.622 1.4789 582.373  15.856  555.761  27.132  596.177  19.541  106.095 2.5909 109.898 1.8014 -3.802528      3.155632  
1 1 1 -2  -7  2  o 174.480 2.1461 1502.83  36.960  1552.85  52.280  1452.86  52.257  177.337 2.9868 171.530 3.0865 5.807053       4.295078  
1 1 1 -2  -7  3  o 351.784 4.1330 6113.33  143.508 6078.38  202.946 6148.28  202.957 350.605 5.8645 352.619 5.8313 -2.014099      8.270201  
1 1 1 -2  -7  4  f 267.462 11.129 3556.72  293.806 3576.37  415.486 3537.07  415.523 266.738 15.852 265.236 15.946 1.502197       22.48495  
1 1 1 -2  -7  5  o 360.284 9.2411 6442.31  328.627 6459.31  464.775 6425.32  464.722 359.744 13.089 358.785 13.123 0.9581604      18.53475  
1 1 1 -2  -7  6  o 266.341 7.8690 3518.40  206.867 3528.66  293.589 3508.28  291.529 266.056 11.180 265.298 11.133 0.7583618      15.77761  
1 1 1 -2  -7  7  o 167.601 6.6690 1392.71  110.324 1420.26  156.058 1365.18  155.987 168.611 9.4146 165.258 9.6043 3.352875       13.44911  
1 1 1 -2  -7  8  o 236.313 7.5385 2776.40  175.835 2818.39  246.553 2732.95  250.837 237.265 10.528 233.527 10.882 3.737839       15.14140  
1 1 1 -2  -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -7  10 o 186.867 9.8463 1755.45  180.968 0.0000   0.0000  1755.45  180.968 ?       ?      186.867 9.8463 0.000000       9.846260  
1 1 1 -2  -7  11 o 166.874 9.5279 1400.23  156.284 0.0000   0.0000  1400.23  156.284 ?       ?      166.874 9.5279 0.000000       9.527898  
1 1 1 -2  -7  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -7  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -7  14 o 86.560  9.0647 380.898  76.298  380.898  76.298  0.0000   0.0000  86.560  9.0647 ?       ?      0.000000       9.064740  
1 1 1 -2  -7  15 o 73.585  6.4104 272.596  46.095  252.905  64.690  292.905  65.696  69.994  9.6178 75.610  8.9784 -5.616188      13.15727  
1 1 1 -2  -7  16 o 157.573 6.7221 1247.98  104.549 1240.93  147.917 1255.03  147.794 155.349 9.6950 156.275 9.6284 -0.9256897     13.66380  
1 1 1 -2  -7  17 o 37.679  7.1502 74.027   25.619  86.654   36.576  61.864   35.896  40.289  9.3739 34.196  10.002 6.093121       13.70767  
1 1 1 -2  -7  18 o 65.287  6.4081 216.926  40.762  234.820  57.421  198.748  57.874  67.055  8.8953 61.198  9.9207 5.856319       13.32468  
1 1 1 -2  -6  1  o 292.418 3.4846 4224.71  100.574 4319.44  142.240 4130.00  142.226 295.520 4.8764 288.953 4.9868 6.567383       6.974775  
1 1 1 -2  -6  2  o 417.049 4.9269 8597.98  202.812 8624.80  286.820 8571.15  286.819 417.355 6.9626 416.051 6.9844 1.304382       9.862010  
1 1 1 -2  -6  3  o 171.192 2.4164 1446.83  40.831  1499.42  50.855  1351.42  68.494  174.261 2.9567 165.395 4.1956 8.865662       5.132732  
1 1 1 -2  -6  4  o 334.402 8.8185 5542.63  291.070 5568.58  411.645 5516.69  411.624 334.464 12.469 332.888 12.528 1.575562       17.67552  
1 1 1 -2  -6  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -6  6  o 194.121 6.9145 1865.57  132.485 1868.48  187.358 1862.67  187.365 193.717 9.8310 193.412 9.8472 0.3052826      13.91454  
1 1 1 -2  -6  7  o 148.478 6.5007 1091.77  95.270  1123.08  133.812 1059.59  135.671 150.077 9.0760 145.687 9.4866 4.389816       13.12893  
1 1 1 -2  -6  8  o 240.909 7.5279 2881.59  179.003 2867.66  253.147 2895.53  253.151 239.590 10.705 240.765 10.653 -1.175293      15.10180  
1 1 1 -2  -6  9  o 133.291 6.3600 881.549  83.674  866.257  118.316 896.850  118.350 131.439 9.1774 133.788 9.0148 -2.348511      12.86433  
1 1 1 -2  -6  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -6  11 o 246.437 7.6207 3025.91  185.368 2990.97  262.119 3060.87  262.182 243.806 10.892 246.693 10.767 -2.886414      15.31603  
1 1 1 -2  -6  12 f 63.668  8.8380 206.467  54.043  0.0000   0.0000  206.467  54.043  ?       ?      63.668  8.8380 0.000000       8.838014  
1 1 1 -2  -6  13 o 155.692 9.4479 1220.41  144.502 0.0000   0.0000  1220.41  144.502 ?       ?      155.692 9.4479 0.000000       9.447859  
1 1 1 -2  -6  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -6  15 o 87.363  9.1414 388.657  77.659  388.657  77.659  0.0000   0.0000  87.363  9.1414 ?       ?      0.000000       9.141408  
1 1 1 -2  -6  16 o 168.212 9.8111 1446.32  162.189 1446.32  162.189 0.0000   0.0000  168.212 9.8111 ?       ?      0.000000       9.811148  
1 1 1 -2  -6  17 o 91.556  7.3890 426.170  66.205  427.682  81.009  423.128  114.884 91.026  9.1399 88.281  13.623 2.744995       16.40484  
1 1 1 -2  -6  18 o 35.574  7.1430 66.188   24.209  67.544   34.952  64.938   33.565  35.571  9.6914 34.907  9.4916 0.6637878      13.56515  
1 1 1 -2  -6  19 f 82.468  6.5716 345.962  53.048  352.479  76.048  339.785  74.035  81.910  9.5876 80.445  9.5079 1.465584       13.50271  
1 1 1 -2  -5  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -5  2  o 206.250 2.8427 2101.00  57.872  2105.56  72.346  2092.89  96.438  206.429 3.5507 205.710 4.7496 0.7195435      5.930089  
1 1 1 -2  -5  3  o 220.782 4.5409 2408.98  98.955  2432.38  110.301 2312.49  224.003 221.815 5.0380 215.660 10.523 6.155579       11.66707  
1 1 1 -2  -5  4  o 69.614  6.0029 241.419  40.843  178.323  58.325  302.134  57.214  59.078  10.381 77.755  7.5500 -18.67748      12.83624  
1 1 1 -2  -5  5  o 191.546 6.8711 1815.41  129.908 1804.83  183.712 1826.00  183.723 190.483 9.8044 191.609 9.7465 -1.125717      13.82469  
1 1 1 -2  -5  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -5  7  o 135.094 6.4423 903.203  85.903  891.938  121.465 914.474  121.506 133.737 9.2587 135.440 9.1425 -1.703537      13.01187  
1 1 1 -2  -5  8  o 276.756 7.9957 3801.04  218.419 3778.80  308.879 3823.27  308.902 275.170 11.372 276.802 11.306 -1.632324      16.03633  
1 1 1 -2  -5  9  o 216.404 7.2429 2324.91  154.708 2204.89  219.774 2442.81  217.820 209.767 10.650 221.238 9.9748 -11.47165      14.59146  
1 1 1 -2  -5  10 o 233.642 7.4728 2715.04  172.334 2708.65  242.645 2721.55  244.803 232.468 10.575 232.997 10.645 -0.5289459     15.00459  
1 1 1 -2  -5  11 o 105.249 6.2207 551.906  64.336  557.875  91.020  545.946  90.951  105.317 8.8377 104.156 8.9333 1.160828       12.56617  
1 1 1 -2  -5  12 o 108.061 6.3029 582.050  66.936  597.850  93.854  565.695  95.489  109.021 8.7968 105.929 9.2250 3.092316       12.74690  
1 1 1 -2  -5  13 o 110.427 6.3204 607.980  68.603  588.861  96.018  627.918  98.053  108.084 9.0845 111.663 8.9723 -3.578529      12.76831  
1 1 1 -2  -5  14 o 65.053  7.3113 213.569  46.133  231.345  79.907  204.682  56.500  66.434  12.648 63.228  9.3339 3.206238       15.71919  
1 1 1 -2  -5  15 o 59.215  9.2876 180.356  52.498  0.0000   0.0000  180.356  52.498  ?       ?      59.215  9.2876 0.000000       9.287643  
1 1 1 -2  -5  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -5  17 o 74.893  9.3736 289.967  67.774  289.967  67.774  0.0000   0.0000  74.893  9.3736 ?       ?      0.000000       9.373601  
1 1 1 -2  -5  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -5  19 o 94.145  6.3654 448.583  58.802  477.163  83.614  420.617  82.711  95.987  8.9278 89.809  9.4735 6.178078       13.01740  
1 1 1 -2  -4  1  f 398.520 4.6541 7857.26  183.069 7466.96  258.882 8247.67  258.917 387.967 6.7604 407.844 6.4318 -19.87772      9.331197  
1 1 1 -2  -4  2  o 336.446 6.2583 5612.14  207.829 5612.14  207.829 0.0000   0.0000  336.446 6.2583 ?       ?      0.000000       6.258331  
1 1 1 -2  -4  3  o 177.845 2.9180 1562.19  51.223  1628.80  72.447  1495.60  72.433  181.530 4.0433 173.937 4.2190 7.592941       5.843675  
1 1 1 -2  -4  4  o 92.980  6.0483 429.484  55.206  445.264  78.083  413.711  78.063  94.389  8.4713 90.907  8.8106 3.481911       12.22249  
1 1 1 -2  -4  5  f 154.448 6.4908 1180.00  98.950  1193.70  139.958 1166.31  139.914 154.892 9.1958 153.084 9.3038 1.807724       13.08139  
1 1 1 -2  -4  6  o 210.533 7.1433 2193.62  148.440 2170.66  210.946 2216.15  208.921 209.121 10.220 211.325 10.016 -2.203796      14.30961  
1 1 1 -2  -4  7  o 292.944 11.658 4274.62  337.093 4175.99  476.723 4373.24  476.720 287.635 16.865 294.524 16.465 -6.888306      23.56951  
1 1 1 -2  -4  8  o 295.104 8.2528 4318.72  240.386 4280.50  339.931 4356.96  339.983 293.069 11.751 295.700 11.649 -2.631042      16.54640  
1 1 1 -2  -4  9  o 345.340 6.5889 5909.79  224.592 5612.62  446.103 6010.69  259.937 334.364 13.517 348.049 7.5665 -13.68549      15.49076  
1 1 1 -2  -4  10 o 59.084  1.2159 172.312  7.0909  142.209  50.227  172.924  7.1626  52.505  10.058 59.188  1.2260 -6.682919      10.13234  
1 1 1 -2  -4  11 o 171.075 3.1261 1446.43  52.786  1428.72  74.661  1464.13  74.641  169.899 4.4521 171.998 4.3966 -2.098663      6.257157  
1 1 1 -2  -4  12 o 243.276 2.9174 2924.81  70.054  2964.15  99.103  2885.52  99.040  244.743 4.1024 241.467 4.1555 3.276443       5.839326  
1 1 1 -2  -4  13 o 50.813  0.7343 127.437  3.6829  104.703  6.9343  136.370  4.3467  46.051  1.5256 52.563  0.8378 -6.511944      1.740469  
1 1 1 -2  -4  14 o 220.088 2.6332 2393.55  57.203  2360.86  80.867  2426.29  80.929  218.439 3.7506 221.452 3.7024 -3.013504      5.270238  
1 1 1 -2  -4  15 o 18.199  1.2113 16.422   2.1635  13.448   3.1124  19.202   3.0094  16.384  1.9637 19.658  1.5639 -3.274410      2.510363  
1 1 1 -2  -4  16 o 10.718  2.0557 5.8669   2.0957  5.7996   3.1100  5.9228   2.8363  10.655  2.8858 10.736  2.6838 -0.8065319E-01 3.940902  
1 1 1 -2  -4  17 o 96.651  1.4273 461.319  13.616  423.568  23.552  480.272  16.688  92.543  2.5784 98.602  1.7147 -6.058800      3.096465  
1 1 1 -2  -4  18 o 154.027 2.2784 1173.42  34.638  1047.39  59.588  1237.74  42.569  145.147 4.1592 158.116 2.7276 -12.96918      4.973845  
1 1 1 -2  -4  19 o 63.213  1.0440 197.311  6.5136  165.123  10.382  218.209  8.3649  57.795  1.8198 66.467  1.2750 -8.671932      2.222054  
1 1 1 -2  -4  20 o 60.176  1.8318 179.047  10.880  285.626  55.633  174.809  11.094  74.494  7.6762 59.456  1.8905 15.03812       7.905562  
1 1 1 -2  -3  1  o 301.510 3.5658 4491.71  106.118 4528.58  150.074 4454.83  150.073 302.572 5.0251 300.092 5.0666 2.479950       7.135939  
1 1 1 -2  -3  2  o 174.274 2.1233 1499.65  36.525  1472.62  51.646  1526.69  51.661  172.651 3.0306 175.795 2.9773 -3.144165      4.248416  
1 1 1 -2  -3  3  o 352.836 5.9072 6168.58  205.724 6257.23  217.337 5404.88  637.908 355.291 6.1975 322.988 20.109 32.30338       21.04268  
1 1 1 -2  -3  4  o 231.094 2.7779 2637.37  63.363  2672.52  89.613  2602.22  89.604  232.553 3.9040 229.469 3.9561 3.083130       5.558100  
1 1 1 -2  -3  5  o 115.130 1.6056 654.262  18.246  684.143  22.531  597.335  31.099  117.726 1.9390 109.989 2.8646 7.737000       3.459113  
1 1 1 -2  -3  6  o 92.502  1.0920 422.316  9.9700  415.302  14.094  429.343  14.106  91.728  1.5567 93.266  1.5323 -1.537964      2.184282  
1 1 1 -2  -3  7  o 194.783 2.5220 1873.10  48.487  1842.98  68.571  1903.22  68.571  193.175 3.5963 196.309 3.5389 -3.133621      5.045489  
1 1 1 -2  -3  8  o 177.077 2.1645 1547.94  37.832  1525.74  53.466  1570.21  53.539  175.776 3.0817 178.320 3.0418 -2.544647      4.330062  
1 1 1 -2  -3  9  o 93.622  1.1340 432.618  10.479  438.697  14.823  426.544  14.817  94.273  1.5930 92.958  1.6149 1.315193       2.268328  
1 1 1 -2  -3  10 o 67.963  0.7962 227.971  5.3411  237.605  7.6152  218.643  7.4930  69.382  1.1120 66.556  1.1406 2.826256       1.592958  
1 1 1 -2  -3  11 o 126.364 1.5702 788.303  19.584  762.908  27.676  813.774  27.717  124.290 2.2560 128.370 2.1875 -4.079208      3.142397  
1 1 1 -2  -3  12 o 160.399 1.9699 1270.49  31.188  1288.51  44.111  1252.47  44.101  161.486 2.7674 159.209 2.8064 2.276825       3.941409  
1 1 1 -2  -3  13 o 100.896 1.4420 502.579  14.361  500.505  17.807  506.438  24.289  100.679 1.7920 101.251 2.4304 -0.5724106     3.019566  
1 1 1 -2  -3  14 o 81.173  1.1762 325.258  9.4234  299.451  11.421  380.287  16.678  77.880  1.4858 87.753  1.9255 -9.873016      2.432096  
1 1 1 -2  -3  15 o 87.340  6.2387 381.144  53.429  369.392  75.458  392.959  75.661  85.385  9.0933 88.163  8.8128 -2.777283      12.66310  
1 1 1 -2  -3  16 o 59.807  6.3940 180.081  37.160  160.647  52.864  199.062  52.246  55.653  9.9908 62.420  8.7179 -6.766365      13.25964  
1 1 1 -2  -3  17 o 41.576  1.4852 85.360   6.0949  96.735   37.866  85.058   6.1754  42.987  9.2020 41.502  1.5075 1.485451       9.324636  
1 1 1 -2  -3  18 o 100.432 1.5297 498.222  15.164  458.528  26.144  518.347  18.615  96.255  2.7518 102.420 1.8414 -6.165466      3.311032  
1 1 1 -2  -3  19 o 17.848  2.1473 15.982   3.7069  15.087   4.8672  17.218   5.7201  17.206  2.9736 18.359  3.2767 -1.153837      4.424827  
1 1 1 -2  -3  20 o 80.284  1.4206 318.433  11.258  354.370  20.621  303.175  13.437  84.602  2.4694 78.316  1.7382 6.286156       3.019829  
1 1 1 -2  -2  1  o 430.293 4.8760 9154.02  207.090 9941.10  292.900 8367.25  292.839 448.070 6.6228 410.946 7.2196 37.12396       9.797099  
1 1 1 -2  -2  2  o 49.700  0.4584 121.907  2.2487  116.582  3.1628  127.351  3.1977  48.602  0.6593 50.797  0.6378 -2.195141      0.9172944 
1 1 1 -2  -2  3  o 127.883 2.2916 807.593  28.926  0.0000   0.0000  807.593  28.926  ?       ?      127.883 2.2916 0.000000       2.291644  
1 1 1 -2  -2  4  o 113.474 1.3720 635.594  15.366  654.256  21.742  616.971  21.720  115.117 1.9135 111.787 1.9685 3.329590       2.745289  
1 1 1 -2  -2  5  o 265.811 3.2053 3489.56  84.096  3482.37  118.925 3496.76  118.933 265.437 4.5392 265.986 4.5301 -0.5485535     6.412976  
1 1 1 -2  -2  6  o 144.441 1.7682 1029.81  25.209  1003.66  35.641  1056.00  35.662  142.581 2.5325 146.253 2.4704 -3.671402      3.537868  
1 1 1 -2  -2  7  o 578.506 6.5953 16555.47 376.596 16640.17 532.943 16470.99 532.231 579.306 9.3205 576.343 9.3559 2.962769       13.20624  
1 1 1 -2  -2  8  f 85.484  1.1938 360.673  10.072  351.314  12.335  379.404  17.450  84.366  1.4813 87.669  2.0166 -3.303078      2.502124  
1 1 1 -2  -2  9  f 281.875 3.3766 3924.21  93.943  3875.08  132.909 3973.26  132.803 279.993 4.8092 283.524 4.7455 -3.530884      6.756374  
1 1 1 -2  -2  10 o 69.823  0.8520 240.616  5.8720  251.331  8.3451  230.107  8.2642  71.358  1.1848 68.279  1.2263 3.079727       1.705139  
1 1 1 -2  -2  11 o 318.264 3.7658 5007.35  118.299 5086.01  167.304 4928.70  167.295 320.492 5.2888 315.480 5.3725 5.011749       7.538903  
1 1 1 -2  -2  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  -2  13 o 113.771 6.3381 644.911  70.893  674.721  101.269 616.263  99.275  115.852 8.9248 110.632 9.1741 5.220795       12.79905  
1 1 1 -2  -2  14 o 136.969 3.1145 927.406  42.106  940.879  122.798 925.611  44.823  136.804 9.1468 136.821 3.3191 -0.1710510E-01 9.730398  
1 1 1 -2  -2  15 o 171.652 2.1545 1455.36  36.502  1484.26  51.602  1426.42  51.643  173.277 3.0171 169.862 3.0802 3.415695       4.311681  
1 1 1 -2  -2  16 o 149.513 1.9712 1104.10  29.090  1146.85  41.155  1061.41  41.125  152.324 2.7373 146.532 2.8434 5.792557       3.946878  
1 1 1 -2  -2  17 o 112.805 1.4554 628.327  16.204  624.068  23.107  632.449  22.731  112.391 2.0829 113.146 2.0354 -0.7549438     2.912280  
1 1 1 -2  -2  18 o 122.170 1.5630 737.189  18.848  776.639  26.900  699.141  26.418  125.350 2.1742 118.925 2.2505 6.425003       3.129205  
1 1 1 -2  -2  19 o 40.144  1.0060 79.566   3.9862  77.554   5.9677  81.187   5.3564  39.622  1.5259 40.544  1.3385 -0.9221573     2.029789  
1 1 1 -2  -2  20 o 111.335 1.5034 612.446  16.521  570.303  23.762  651.877  22.985  107.361 2.2424 114.809 2.0283 -7.448410      3.023645  
1 1 1 -2  -2  21 o 85.554  1.3149 361.591  11.103  353.341  15.984  369.284  15.435  84.525  1.9159 86.421  1.8095 -1.895752      2.635355  
1 1 1 -2  -1  1  o 233.443 2.9315 2691.05  67.546  2638.79  100.341 2734.35  91.341  231.080 4.3993 235.258 3.9336 -4.178192      5.901452  
1 1 1 -2  -1  2  o 156.158 1.8994 1203.81  29.276  1198.23  41.420  1209.39  41.383  155.772 2.6939 156.497 2.6791 -0.7240906     3.799329  
1 1 1 -2  -1  3  o 256.599 3.0600 3252.69  77.502  3145.97  109.593 3359.44  109.615 252.222 4.4022 260.656 4.2606 -8.433731      6.126319  
1 1 1 -2  -1  4  o 262.393 4.4517 3405.82  115.297 3226.26  401.864 3421.93  120.357 251.305 16.289 262.987 4.6366 -11.68242      16.93590  
1 1 1 -2  -1  5  o 245.240 2.9552 2970.58  71.535  2932.84  101.157 3008.34  101.174 243.575 4.2075 246.696 4.1550 -3.120300      5.913337  
1 1 1 -2  -1  6  o 317.256 3.7738 4971.83  118.173 4971.21  167.163 4972.44  167.081 317.092 5.3410 317.132 5.3377 -0.3967285E-01 7.550977  
1 1 1 -2  -1  7  o 424.858 4.9037 8919.89  205.637 8534.01  290.788 9305.91  290.840 415.269 7.0944 433.692 6.7942 -18.42307      9.823002  
1 1 1 -2  -1  8  o 394.470 5.1737 7690.99  201.443 7573.15  284.870 7808.85  284.896 391.133 7.3789 397.191 7.2670 -6.058105      10.35648  
1 1 1 -2  -1  9  o 333.279 3.9087 5487.00  128.579 5270.25  181.865 5703.63  181.810 326.461 5.6440 339.645 5.4233 -13.18341      7.827263  
1 1 1 -2  -1  10 o 585.616 13.150 17154.96 760.088 17013.40 1077.70 17295.06 1072.17 579.111 18.854 584.100 18.597 -4.988831      26.48252  
1 1 1 -2  -1  11 o 226.605 7.3430 2548.60  164.239 2560.30  232.286 2536.90  232.251 226.485 10.391 225.436 10.438 1.048798       14.72794  
1 1 1 -2  -1  12 f 230.771 3.7111 2633.11  84.531  2647.75  119.563 2618.47  119.527 231.199 5.2393 229.913 5.2671 1.286179       7.429183  
1 1 1 -2  -1  13 o 109.222 1.3886 588.922  14.970  582.635  21.135  595.252  21.206  108.621 1.9713 109.791 1.9568 -1.170303      2.777663  
1 1 1 -2  -1  14 o 91.624  1.1659 414.398  10.544  413.993  14.875  414.806  14.948  91.568  1.6458 91.658  1.6522 -0.8971405E-01 2.332075  
1 1 1 -2  -1  15 o 102.428 6.2529 523.290  62.914  493.640  88.811  553.158  89.137  98.858  9.2076 104.818 8.6941 -5.960785      12.66360  
1 1 1 -2  -1  16 o 85.189  1.1676 358.246  9.8178  368.293  13.921  348.304  13.848  86.364  1.6331 83.986  1.6705 2.377426       2.336141  
1 1 1 -2  -1  17 o 209.968 2.5549 2178.97  52.949  2217.05  74.898  2140.91  74.864  211.644 3.5853 207.967 3.6471 3.676437       5.114285  
1 1 1 -2  -1  18 o 174.216 2.2020 1499.98  37.864  1531.73  53.541  1468.21  53.555  175.932 3.0833 172.234 3.1503 3.697113       4.408037  
1 1 1 -2  -1  19 o 84.630  1.2491 353.681  10.434  354.279  14.886  353.105  14.629  84.675  1.7811 84.536  1.7532 0.1387634      2.499190  
1 1 1 -2  -1  20 o 33.325  1.2347 54.848   4.0612  46.782   6.3879  60.320   5.2614  30.682  2.1224 34.941  1.5256 -4.258713      2.613771  
1 1 1 -2  -1  21 o 63.965  1.2363 202.091  7.8057  194.145  10.537  211.756  11.620  62.671  1.7034 65.446  1.7989 -2.774719      2.477401  
1 1 1 -2  0   1  o 101.197 1.1638 505.453  11.624  502.013  16.428  508.903  16.451  100.848 1.6504 101.538 1.6414 -0.6897125     2.327668  
1 1 1 -2  0   2  o 220.176 2.7708 2393.83  60.215  2443.99  89.546  2352.43  81.355  222.397 4.0793 218.211 3.7773 4.186295       5.559519  
1 1 1 -2  0   3  o 23.356  0.1619 26.922   0.3732  29.425   0.6561  25.725   0.4537  24.418  0.2722 22.831  0.2014 1.586544       0.3385994 
1 1 1 -2  0   4  o 277.766 3.6044 3813.46  98.820  3545.92  139.724 4081.22  139.782 267.612 5.2897 287.163 4.9316 -19.55084      7.231994  
1 1 1 -2  0   5  o 65.086  5.1303 210.938  32.691  307.484  46.497  116.569  45.970  78.551  6.0435 47.459  10.122 31.09180       11.78920  
1 1 1 -2  0   6  f 238.816 2.8723 2816.35  67.706  2943.91  95.767  2688.88  95.734  244.098 3.9749 233.273 4.1578 10.82472       5.752129  
1 1 1 -2  0   7  o 283.114 3.3606 3958.28  93.911  3867.43  132.781 4049.22  132.840 279.751 4.8087 286.259 4.7015 -6.507813      6.725152  
1 1 1 -2  0   8  o 71.594  1.2836 252.984  9.0706  261.053  12.702  244.587  12.957  72.724  1.7696 70.392  1.8649 2.331444       2.570827  
1 1 1 -2  0   9  o 196.743 6.9782 1916.57  135.512 1790.53  190.478 2045.74  192.831 189.541 10.219 202.966 9.6254 -13.42546      14.03854  
1 1 1 -2  0   10 o 120.075 2.7460 711.932  32.545  778.814  106.461 705.038  34.181  124.993 8.6831 119.488 2.8982 5.504105       9.154001  
1 1 1 -2  0   11 o 118.149 1.4828 689.057  17.292  681.577  24.364  696.650  24.546  117.494 2.1009 118.786 2.0935 -1.292290      2.965924  
1 1 1 -2  0   12 o 149.347 1.8694 1101.24  27.557  1064.01  38.918  1138.67  39.025  146.767 2.6865 151.833 2.6040 -5.065933      3.741413  
1 1 1 -2  0   13 o 76.505  1.0231 288.899  7.7258  282.740  10.794  295.369  11.063  75.679  1.4450 77.350  1.4490 -1.671616      2.046388  
1 1 1 -2  0   14 o 254.282 3.0697 3196.08  77.044  3220.31  108.996 3171.89  108.917 255.046 4.3297 253.116 4.3596 1.930191       6.144291  
1 1 1 -2  0   15 o 34.486  0.8779 58.701   2.9882  52.599   4.0388  66.081   4.4417  32.642  1.2536 36.587  1.2299 -3.945366      1.756179  
1 1 1 -2  0   16 o 36.549  1.3433 65.947   4.8457  65.787   4.8731  80.112   45.833  36.504  1.3525 39.327  11.243 -2.823029      11.32438  
1 1 1 -2  0   17 o 35.786  1.0757 63.219   3.7995  60.133   4.8744  67.997   6.0654  34.899  1.4151 37.108  1.6560 -2.208794      2.178262  
1 1 1 -2  0   18 o 93.643  1.3940 432.986  12.884  436.956  17.962  428.780  18.491  94.049  1.9350 93.161  2.0109 0.8877411      2.790710  
1 1 1 -2  0   19 o 106.599 1.5171 561.252  15.963  575.500  22.238  546.107  22.927  107.905 2.0880 105.104 2.2100 2.801285       3.040342  
1 1 1 -2  0   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  0   21 o 65.301  6.4879 217.146  41.264  217.821  58.851  216.493  57.872  64.285  9.5666 64.145  9.4213 0.1395111      13.42683  
1 1 1 -2  0   22 o 105.680 6.5875 567.933  68.372  577.365  97.106  558.660  96.285  104.936 9.4777 103.156 9.5653 1.779861       13.46559  
1 1 1 -2  1   1  o 162.186 1.9813 1298.51  31.717  1198.14  44.829  1399.11  44.881  155.768 2.9157 168.333 2.7012 -12.56461      3.974689  
1 1 1 -2  1   2  o 141.123 1.8147 983.120  25.277  973.214  38.003  990.979  33.851  140.389 2.7425 141.673 2.4208 -1.284149      3.658072  
1 1 1 -2  1   3  o 127.593 1.6588 803.639  20.890  834.180  31.509  779.687  27.905  129.975 2.4561 125.664 2.2497 4.311569       3.330707  
1 1 1 -2  1   4  o 122.758 1.6579 743.938  20.088  755.093  30.500  735.393  26.695  123.650 2.4990 122.036 2.2162 1.614456       3.340182  
1 1 1 -2  1   5  o 182.783 2.2369 1649.78  40.356  1704.48  57.111  1595.23  57.033  185.738 3.1152 179.680 3.2158 6.057587       4.477289  
1 1 1 -2  1   6  f 130.465 6.1184 842.704  78.790  884.515  111.461 800.945  111.390 133.197 8.5227 126.650 8.9686 6.546669       12.37224  
1 1 1 -2  1   7  o 254.335 7.1941 3202.44  180.600 3948.08  256.621 2470.76  254.209 282.113 9.2159 222.544 11.613 59.56918       14.82559  
1 1 1 -2  1   8  o 122.525 6.1170 742.427  73.978  871.642  105.638 618.075  103.631 132.409 8.1222 111.228 9.5314 21.18122       12.52268  
1 1 1 -2  1   9  o 389.643 5.1268 7504.25  197.174 7568.40  278.850 7440.11  278.841 391.008 7.2252 387.669 7.2872 3.338501       10.26195  
1 1 1 -2  1   10 o 231.934 2.7965 2656.18  64.019  2674.86  90.545  2637.51  90.528  232.688 3.9424 231.056 3.9695 1.632095       5.594543  
1 1 1 -2  1   11 o 197.957 2.4123 1934.92  47.135  1923.17  66.647  1946.69  66.672  197.305 3.4222 198.509 3.4027 -1.204315      4.825980  
1 1 1 -2  1   12 o 129.878 1.6457 832.744  21.097  825.532  29.876  839.917  29.795  129.294 2.3410 130.417 2.3146 -1.122498      3.292112  
1 1 1 -2  1   13 o 131.806 1.7262 857.748  22.458  867.620  31.826  847.957  31.694  132.534 2.4329 131.023 2.4508 1.511276       3.453271  
1 1 1 -2  1   14 o 80.655  1.0870 321.105  8.6537  319.512  12.356  322.638  12.124  80.446  1.5561 80.839  1.5194 -0.3932266     2.174892  
1 1 1 -2  1   15 o 66.355  0.9878 217.334  6.4696  221.018  9.2988  213.878  9.0069  66.909  1.4080 65.820  1.3864 1.089149       1.976002  
1 1 1 -2  1   16 o 152.826 1.9424 1153.47  29.301  1120.09  41.356  1187.11  41.519  150.542 2.7832 154.986 2.7141 -4.444016      3.887483  
1 1 1 -2  1   17 o 134.548 1.8654 894.078  24.774  862.076  35.084  925.904  34.987  132.067 2.6914 136.876 2.5897 -4.809448      3.734988  
1 1 1 -2  1   18 o 147.235 6.5824 1081.24  95.660  1095.50  135.446 1067.04  135.123 147.131 9.3755 145.159 9.4830 1.972839       13.33522  
1 1 1 -2  1   19 o 21.123  7.3356 20.196   18.703  24.985   34.240  18.159   22.329  25.813  9.7798 21.432  7.9432 4.380880       12.59916  
1 1 1 -2  1   20 o 95.674  1.4682 452.158  13.865  452.383  19.219  451.913  20.022  95.657  2.0355 95.600  2.1219 0.5710602E-01  2.940372  
1 1 1 -2  1   21 o 51.510  1.4511 131.091  7.3777  134.651  10.275  127.301  10.600  52.179  1.9950 50.728  2.1171 1.450722       2.908954  
1 1 1 -2  1   22 o 107.592 1.6407 572.212  17.424  569.582  24.867  574.749  24.420  107.255 2.3490 107.748 2.2962 -0.4931717     3.284827  
1 1 1 -2  2   1  o 282.408 3.3405 3939.14  93.116  4001.04  131.697 3877.27  131.675 284.509 4.6897 280.067 4.7633 4.442047       6.684490  
1 1 1 -2  2   2  o 227.262 2.9987 2550.69  67.266  2569.40  95.073  2531.93  95.185  228.016 4.2243 226.344 4.2606 1.671478       5.999781  
1 1 1 -2  2   3  o 261.905 3.4353 3388.91  88.807  3400.21  125.463 3377.56  125.721 262.200 4.8478 261.323 4.8741 0.8777771      6.874508  
1 1 1 -2  2   4  o 111.374 1.5939 612.348  17.522  633.900  24.781  590.799  24.779  113.302 2.2159 109.380 2.2952 3.921936       3.190278  
1 1 1 -2  2   5  o 241.276 7.4688 2892.12  177.869 2893.34  251.512 2890.89  251.578 240.523 10.594 240.419 10.602 0.1041107      14.98770  
1 1 1 -2  2   6  o 94.844  5.5758 446.760  51.968  594.499  63.218  138.869  91.263  109.421 5.8749 52.349  16.097 57.07232       17.13598  
1 1 1 -2  2   7  o 108.304 1.9106 579.026  20.424  564.989  20.905  873.634  95.774  106.983 1.9797 132.617 7.3454 -25.63409      7.607482  
1 1 1 -2  2   8  o 302.477 4.2252 4519.87  126.147 4448.85  229.337 4550.67  151.050 299.733 7.7519 303.441 5.0433 -3.707397      9.248039  
1 1 1 -2  2   9  o 58.060  0.8575 166.371  4.9139  147.254  7.0364  184.571  6.8655  54.621  1.3051 61.152  1.1374 -6.531273      1.731220  
1 1 1 -2  2   10 o 387.887 4.5159 7435.10  172.894 7349.03  244.508 7521.16  244.510 385.374 6.4280 389.873 6.3539 -4.499054      9.038340  
1 1 1 -2  2   11 o 96.002  1.2925 454.910  12.247  407.086  17.640  499.409  17.016  90.808  1.9681 100.583 1.7140 -9.775246      2.609828  
1 1 1 -2  2   12 o 87.316  1.1508 376.315  9.9177  393.916  14.035  358.761  14.016  89.329  1.5918 85.248  1.6658 4.080353       2.304047  
1 1 1 -2  2   13 o 213.606 2.5881 2253.89  54.567  2203.25  77.123  2304.65  77.215  211.090 3.7016 215.901 3.6234 -4.811554      5.179815  
1 1 1 -2  2   14 o 182.320 2.2616 1641.86  40.698  1607.52  57.474  1676.40  57.638  180.324 3.2291 184.153 3.1710 -3.828568      4.525770  
1 1 1 -2  2   15 o 145.235 1.8625 1041.63  26.699  1040.27  37.720  1042.99  37.796  145.096 2.6338 145.285 2.6356 -0.1896057     3.726067  
1 1 1 -2  2   16 o 130.373 7.2034 849.552  92.336  982.135  113.833 594.497  157.884 139.932 8.2785 106.420 15.485 33.51255       17.55891  
1 1 1 -2  2   17 o 84.285  7.5838 357.493  62.416  342.527  75.844  388.896  109.865 82.024  9.5466 86.315  13.325 -4.291023      16.39153  
1 1 1 -2  2   18 o 330.866 3.8955 5422.00  127.217 5356.12  179.809 5488.02  180.017 328.249 5.5498 332.292 5.4886 -4.043396      7.805407  
1 1 1 -2  2   19 o 166.576 2.1653 1371.30  35.601  1362.09  50.352  1380.51  50.342  165.899 3.0750 167.020 3.0537 -1.121078      4.333654  
1 1 1 -2  2   20 o 67.963  1.3787 228.129  9.2487  227.283  12.993  228.999  13.168  67.812  1.9412 68.067  1.9600 -0.2545013     2.758575  
1 1 1 -2  2   21 o 93.480  1.5537 431.795  14.336  468.332  20.665  397.897  19.904  97.299  2.1517 89.674  2.2488 7.624451       3.112365  
1 1 1 -2  2   22 o 50.136  1.5986 124.235  7.9109  121.950  11.187  126.520  11.188  49.634  2.2836 50.559  2.2420 -0.9241753     3.200171  
1 1 1 -2  3   1  o 169.471 2.0503 1417.89  34.297  1442.65  48.514  1393.16  48.493  170.915 2.8757 167.956 2.9251 2.958893       4.101982  
1 1 1 -2  3   2  f 260.516 3.1156 3352.26  80.115  3292.04  113.292 3412.49  113.306 258.053 4.4479 262.739 4.3691 -4.686249      6.234869  
1 1 1 -2  3   3  o 238.792 7.3838 2829.83  174.033 3069.33  245.302 2587.11  246.946 248.113 10.017 227.553 10.995 20.55984       14.87333  
1 1 1 -2  3   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  3   5  f 356.316 9.1779 6329.42  322.785 6507.99  456.539 6150.92  456.434 359.568 12.864 349.364 13.236 10.20398       18.45732  
1 1 1 -2  3   6  o 94.063  1.2601 436.729  11.699  429.504  15.464  446.398  17.890  93.277  1.6796 95.090  1.9061 -1.812981      2.540512  
1 1 1 -2  3   7  o 182.038 2.2387 1635.97  40.225  1580.55  56.850  1691.54  56.924  178.896 3.2196 185.074 3.1161 -6.178452      4.480612  
1 1 1 -2  3   8  o 148.896 1.9453 1094.38  28.590  1055.59  38.338  1142.97  42.912  146.220 2.6564 152.147 2.8575 -5.926941      3.901477  
1 1 1 -2  3   9  f 427.537 6.2315 9041.49  262.966 8948.53  371.866 9134.47  371.914 424.838 8.8681 429.249 8.7781 -4.411072      12.47789  
1 1 1 -2  3   10 o 247.330 3.0262 3020.85  73.876  3010.98  102.422 3031.55  106.659 246.853 4.2036 247.683 4.3628 -0.8302155     6.058407  
1 1 1 -2  3   11 o 174.258 2.1638 1499.15  37.216  1428.57  52.596  1569.92  52.668  170.073 3.1332 178.294 2.9928 -8.221420      4.332853  
1 1 1 -2  3   12 o 240.419 3.0220 2855.31  71.712  2797.80  97.067  2924.42  106.409 237.888 4.1339 243.179 4.4332 -5.291000      6.061581  
1 1 1 -2  3   13 o 334.158 3.9438 5522.27  130.077 5395.38  183.931 5649.23  183.981 329.934 5.6480 337.639 5.5206 -7.704529      7.897912  
1 1 1 -2  3   14 o 152.627 1.9588 1150.37  29.510  1143.93  41.616  1156.87  41.851  152.152 2.7711 153.010 2.7711 -0.8583679     3.918906  
1 1 1 -2  3   15 o 308.298 8.5068 4751.65  258.865 4883.25  366.207 4620.21  365.973 310.612 11.945 301.916 12.281 8.696381       17.13173  
1 1 1 -2  3   16 o 77.200  6.2324 298.196  47.086  285.419  66.734  310.863  66.446  74.907  9.2206 78.332  8.7433 -3.424690      12.70687  
1 1 1 -2  3   17 o 28.966  1.9848 41.634   5.6404  38.289   7.3202  46.522   8.8490  27.701  2.7121 30.531  2.9742 -2.829956      4.025058  
1 1 1 -2  3   18 o 106.650 6.4093 568.649  67.155  580.259  94.350  556.728  95.606  107.074 9.0112 104.768 9.3434 2.305580       12.98081  
1 1 1 -2  3   19 o 121.412 1.7121 728.086  20.518  720.157  28.633  736.456  29.417  120.700 2.4034 122.055 2.4418 -1.354996      3.426143  
1 1 1 -2  3   20 o 74.659  1.3982 275.287  10.304  280.968  14.897  270.077  14.266  75.397  2.0018 73.923  1.9552 1.473213       2.798233  
1 1 1 -2  3   21 o 86.112  1.5433 366.388  13.118  372.212  18.368  360.325  18.740  86.745  2.1453 85.342  2.2247 1.403809       3.090564  
1 1 1 -2  3   22 o 70.566  1.5047 246.074  10.480  241.198  14.597  251.263  15.057  69.818  2.1181 71.258  2.1408 -1.439888      3.011572  
1 1 1 -2  3   23 o 61.283  1.6386 185.679  9.9116  193.192  13.944  178.007  14.091  62.460  2.2619 59.944  2.3815 2.516121       3.284478  
1 1 1 -2  4   1  o 297.833 11.712 4439.42  344.314 4813.19  487.013 4065.90  486.853 307.845 16.084 282.096 17.572 25.74796       23.82165  
1 1 1 -2  4   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  4   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  4   4  o 210.427 2.8131 2187.42  58.427  2168.63  82.546  2206.29  82.710  209.416 3.9935 211.229 3.9671 -1.813065      5.629005  
1 1 1 -2  4   5  o 200.575 2.4522 1986.84  48.547  1974.38  68.644  1999.31  68.666  199.873 3.4795 201.133 3.4588 -1.259766      4.906149  
1 1 1 -2  4   6  o 169.742 2.1105 1422.53  35.360  1436.26  50.002  1408.80  50.011  170.524 2.9708 168.884 3.0002 1.639694       4.222152  
1 1 1 -2  4   7  o 91.804  1.1906 415.973  10.788  399.158  15.272  432.723  15.243  89.924  1.7206 93.630  1.6494 -3.705338      2.383457  
1 1 1 -2  4   8  o 82.342  1.5234 334.661  12.382  0.0000   0.0000  334.661  12.382  ?       ?      82.342  1.5234 0.000000       1.523427  
1 1 1 -2  4   9  o 290.504 3.8037 4168.55  109.066 4116.11  154.219 4221.02  154.267 288.543 5.4149 292.203 5.3488 -3.660126      7.611234  
1 1 1 -2  4   10 o 556.460 6.6070 15327.05 362.889 15213.57 513.161 15440.57 513.245 553.560 9.3919 557.699 9.3238 -4.138550      13.23410  
1 1 1 -2  4   11 o 189.432 2.3394 1771.71  43.742  1730.18  61.835  1813.30  61.885  187.157 3.3473 191.604 3.2723 -4.446136      4.681043  
1 1 1 -2  4   12 o 183.594 2.3042 1664.39  41.755  1623.26  58.983  1705.71  59.119  181.260 3.2968 185.811 3.2234 -4.550934      4.610770  
1 1 1 -2  4   13 o 118.151 6.3938 694.656  74.286  698.143  105.096 691.174  105.018 117.953 9.0972 117.351 9.1386 0.6018066      12.89473  
1 1 1 -2  4   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  4   15 o 76.889  1.2606 291.849  9.5672  281.533  12.842  304.714  14.341  75.508  1.7231 78.552  1.8497 -3.044006      2.527947  
1 1 1 -2  4   16 o 128.988 1.7362 821.597  22.105  870.925  31.456  773.470  31.070  132.769 2.4003 125.113 2.5160 7.655556       3.477326  
1 1 1 -2  4   17 f 64.062  1.2328 202.604  7.7952  189.561  10.924  216.136  11.127  61.955  1.7863 66.158  1.7040 -4.202377      2.468722  
1 1 1 -2  4   18 o 115.214 1.6768 655.538  19.069  660.583  27.061  650.562  26.875  115.619 2.3712 114.739 2.3730 0.8804016      3.354706  
1 1 1 -2  4   19 o 84.173  1.9821 350.042  16.467  343.268  16.854  492.711  77.347  83.352  2.0486 98.747  8.0046 -15.39516      8.262564  
1 1 1 -2  4   20 o 89.825  1.5210 398.529  13.486  404.362  18.854  392.418  19.297  90.446  2.1119 89.094  2.1944 1.351456       3.045568  
1 1 1 -2  4   21 o 9.5470  4.0390 0.2808   6.5648  0.2786   10.698  0.2822   8.3142  12.105  5.1406 10.709  4.5388 1.396577       6.857587  
1 1 1 -2  4   22 o 102.718 1.6542 521.549  16.772  530.272  23.534  512.547  23.908  103.495 2.3038 101.740 2.3808 1.755219       3.312944  
1 1 1 -2  4   23 o 86.469  6.5606 381.441  55.577  376.040  78.402  386.897  78.794  84.330  9.5896 85.612  9.4839 -1.281647      13.48722  
1 1 1 -2  5   1  o 109.407 5.6836 594.672  61.164  460.238  86.533  728.899  86.466  95.626  9.2850 120.920 7.2786 -25.29396      11.79786  
1 1 1 -2  5   2  o 169.315 2.2893 1415.72  38.258  1384.65  54.107  1446.80  54.104  167.389 3.2748 171.110 3.2035 -3.720474      4.581128  
1 1 1 -2  5   3  o 162.236 2.0229 1299.64  32.394  1320.82  45.825  1278.49  45.800  163.511 2.8393 160.868 2.8844 2.643799       4.047452  
1 1 1 -2  5   4  o 190.782 2.3408 1797.53  44.079  1819.91  62.343  1775.16  62.330  191.902 3.2914 189.525 3.3320 2.376740       4.683474  
1 1 1 -2  5   5  o 112.952 1.8721 629.872  20.872  650.797  29.517  608.948  29.517  114.792 2.6051 111.037 2.6932 3.754990       3.747011  
1 1 1 -2  5   6  o 223.994 3.0665 2478.08  67.798  2536.64  95.868  2419.49  95.893  226.540 4.2874 221.238 4.3913 5.301590       6.137221  
1 1 1 -2  5   7  o 366.337 4.2887 6631.35  155.075 6697.87  219.292 6564.81  219.325 367.948 6.0381 364.265 6.1001 3.682343       8.583154  
1 1 1 -2  5   8  o 249.608 3.0136 3076.51  74.246  3038.62  104.977 3114.44  105.022 247.996 4.2886 251.074 4.2379 -3.078125      6.029217  
1 1 1 -2  5   9  o 226.583 4.1809 2536.44  93.504  0.0000   0.0000  2536.44  93.504  ?       ?      226.583 4.1809 0.000000       4.180909  
1 1 1 -2  5   10 o 409.671 4.7097 8295.24  190.441 8296.41  269.319 8294.06  269.328 409.392 6.6649 409.333 6.6661 0.5819702E-01  9.426460  
1 1 1 -2  5   11 o 121.856 1.6127 732.971  19.397  706.784  27.410  759.239  27.453  119.646 2.3210 124.009 2.2429 -4.362068      3.227635  
1 1 1 -2  5   12 o 181.858 6.7929 1639.89  121.933 1623.50  172.369 1656.30  172.509 180.249 9.7244 182.087 9.6326 -1.838409      13.68765  
1 1 1 -2  5   13 o 194.220 7.0261 1873.85  134.692 1829.74  190.297 1918.12  190.669 190.992 10.131 195.630 9.9067 -4.638275      14.16949  
1 1 1 -2  5   14 o 116.985 1.6117 675.688  18.610  685.809  26.242  665.446  26.397  117.834 2.2563 116.069 2.3041 1.764648       3.224859  
1 1 1 -2  5   15 o 71.078  1.2371 249.398  8.6793  261.896  12.128  236.279  12.426  72.828  1.6872 69.171  1.8200 3.656471       2.481725  
1 1 1 -2  5   16 o 87.178  1.3222 375.204  11.377  375.703  16.018  374.697  16.163  87.221  1.8606 87.104  1.8800 0.1174164      2.645020  
1 1 1 -2  5   17 o 66.514  1.3011 218.417  8.5422  219.274  11.936  217.517  12.231  66.633  1.8148 66.364  1.8672 0.2687912      2.603800  
1 1 1 -2  5   18 o 119.986 1.7220 710.987  20.393  716.729  28.883  705.279  28.798  120.428 2.4298 119.461 2.4423 0.9666901      3.445161  
1 1 1 -2  5   19 o 150.658 2.3253 1121.82  34.579  1083.86  42.422  1196.99  59.691  148.026 2.9035 155.418 3.8911 -7.392365      4.855020  
1 1 1 -2  5   20 o 44.638  1.7908 98.444   7.8899  95.297   10.761  102.102  11.603  43.824  2.4981 45.357  2.6025 -1.532784      3.607429  
1 1 1 -2  5   21 o 46.503  3.0248 107.626  13.808  104.485  17.200  113.322  23.160  45.696  3.8492 47.384  5.0287 -1.687344      6.332828  
1 1 1 -2  5   22 f 33.468  8.4868 59.788   28.076  46.499   34.247  87.026   49.031  30.218  9.9282 39.896  11.695 -9.678095      15.34063  
1 1 1 -2  5   23 o 100.261 1.7165 497.070  16.986  535.804  24.161  459.213  23.886  104.005 2.3536 96.261  2.5140 7.744827       3.443727  
1 1 1 -2  6   1  o 40.933  0.5992 82.694   2.4207  88.530   3.4817  77.233   3.3680  42.352  0.8329 39.558  0.8626 2.794605       1.199065  
1 1 1 -2  6   2  o 143.678 1.9722 1019.27  27.968  1071.63  39.614  967.234  39.493  147.291 2.7248 139.926 2.8595 7.364517       3.949850  
1 1 1 -2  6   3  o 150.976 2.0968 1125.50  31.247  1152.59  44.196  1098.42  44.183  152.745 2.9314 149.108 3.0021 3.636520       4.195921  
1 1 1 -2  6   4  o 102.672 1.4918 520.366  15.118  540.150  21.360  500.507  21.400  104.593 2.0690 100.680 2.1535 3.913292       2.986299  
1 1 1 -2  6   5  o 276.729 3.6063 3783.92  98.504  3811.29  139.378 3756.61  139.233 277.561 5.0875 275.559 5.1191 2.002258       7.217193  
1 1 1 -2  6   6  o 293.895 3.7961 4267.32  110.119 4229.57  155.779 4305.02  155.684 292.431 5.3970 295.034 5.3461 -2.602844      7.596639  
1 1 1 -2  6   7  o 109.948 1.4506 596.670  15.742  581.688  22.207  611.803  22.318  108.551 2.0726 111.326 2.0311 -2.775124      2.901897  
1 1 1 -2  6   8  o 211.379 3.0007 2206.33  62.607  2183.29  83.815  2235.41  94.165  210.225 4.0393 212.695 4.4854 -2.469635      6.036090  
1 1 1 -2  6   9  o 115.017 1.5448 652.973  17.538  644.388  24.809  661.549  24.796  114.250 2.2000 115.761 2.1701 -1.511826      3.090202  
1 1 1 -2  6   10 o 370.956 9.4108 6832.52  344.573 7071.40  487.129 6593.30  487.472 376.315 13.115 363.212 13.597 13.10312       18.89141  
1 1 1 -2  6   11 o 103.688 6.3256 534.284  64.429  546.787  92.686  522.593  89.624  104.522 9.0741 102.182 8.9772 2.339699       12.76439  
1 1 1 -2  6   12 o 338.219 5.9321 5666.44  198.032 5740.58  280.054 5592.29  280.066 339.807 8.3498 335.357 8.4610 4.450439       11.88726  
1 1 1 -2  6   13 o 100.184 1.4997 495.490  14.830  510.442  22.106  483.255  19.997  101.666 2.2029 98.926  2.0480 2.740128       3.007805  
1 1 1 -2  6   14 f 211.540 2.9548 2211.69  61.696  2165.41  82.841  2269.32  92.450  209.186 4.0122 214.092 4.3749 -4.905548      5.936131  
1 1 1 -2  6   15 o 110.206 1.5390 599.670  16.741  559.398  23.418  641.755  23.940  106.415 2.2295 113.984 2.1279 -7.569382      3.081993  
1 1 1 -2  6   16 o 95.179  1.4365 447.273  13.496  437.620  18.910  457.294  19.266  94.127  2.0354 96.220  2.0286 -2.092842      2.873690  
1 1 1 -2  6   17 o 116.503 1.7471 670.291  20.090  669.691  27.092  671.023  29.944  116.419 2.3577 116.519 2.6037 -0.1001892     3.512519  
1 1 1 -2  6   18 o 70.479  1.4054 245.263  9.7769  233.770  13.688  257.234  13.970  68.791  2.0159 72.163  1.9613 -3.371719      2.812562  
1 1 1 -2  6   19 f 24.317  2.7823 29.625   6.5579  31.927   9.1872  27.233   9.3638  25.100  3.8295 23.071  4.2693 2.029581       5.735157  
1 1 1 -2  6   20 o 83.954  6.5174 354.963  53.583  377.338  75.718  332.517  75.839  85.792  9.0796 80.239  9.7780 5.553017       13.34350  
1 1 1 -2  6   21 o 23.543  7.3032 27.980   18.738  34.296   26.425  21.592   26.575  26.411  8.7232 23.216  8.6534 3.195114       12.28725  
1 1 1 -2  6   22 o 32.149  2.5008 51.503   7.8730  52.362   10.983  50.596   11.291  32.269  3.5047 31.684  3.6791 0.5856915      5.081215  
1 1 1 -2  6   23 o 66.386  1.7023 217.921  11.155  220.218  16.120  215.810  15.451  66.665  2.4498 66.003  2.3718 0.6621857      3.409804  
1 1 1 -2  6   24 o 134.102 2.2999 891.228  30.443  900.560  52.035  886.372  37.537  134.266 3.9264 133.587 2.8468 0.6789398      4.849869  
1 1 1 -2  7   1  o 21.533  0.9756 22.885   2.0735  27.792   3.7439  20.714   2.4903  23.673  1.6119 20.448  1.2397 3.224495       2.033475  
1 1 1 -2  7   2  o 65.732  1.2318 213.266  7.9917  224.417  11.304  202.123  11.300  67.425  1.6986 63.987  1.7892 3.437561       2.467038  
1 1 1 -2  7   3  o 138.468 2.0379 946.607  27.852  962.238  36.867  925.820  42.512  139.588 2.6758 136.904 3.1461 2.684113       4.130086  
1 1 1 -2  7   4  o 310.142 3.9840 4753.34  121.958 4788.04  172.461 4718.63  172.487 311.069 5.6170 308.799 5.6591 2.269196       7.973427  
1 1 1 -2  7   5  o 285.996 3.7006 4040.88  104.464 4057.19  147.643 4024.53  147.826 286.424 5.2224 285.266 5.2501 1.158203       7.405199  
1 1 1 -2  7   6  o 28.021  0.7692 38.752   2.1275  37.880   3.0079  39.624   3.0095  27.704  1.1000 28.334  1.0761 -0.6304398     1.538836  
1 1 1 -2  7   7  o 85.526  1.2111 361.031  10.224  353.468  14.418  368.681  14.500  84.622  1.7261 86.424  1.6999 -1.802055      2.422620  
1 1 1 -2  7   8  o 266.193 3.6742 3500.03  96.537  3392.18  144.438 3587.11  129.784 261.911 5.5872 269.395 4.8809 -7.483734      7.418877  
1 1 1 -2  7   9  o 319.110 9.8011 5058.24  308.708 4840.65  535.630 5166.46  377.760 309.484 17.607 322.017 11.885 -12.53296      21.24320  
1 1 1 -2  7   10 o 214.501 7.1825 2279.37  152.068 2248.37  215.034 2310.37  215.081 212.620 10.246 215.553 10.109 -2.933701      14.39382  
1 1 1 -2  7   11 o 359.216 9.1371 6414.49  323.966 6887.73  458.259 5941.67  458.056 371.061 12.512 344.265 13.480 26.79617       18.39202  
1 1 1 -2  7   12 o 69.004  1.3184 235.034  8.9796  233.820  12.559  236.303  12.844  68.819  1.8489 69.183  1.8809 -0.3639755     2.637470  
1 1 1 -2  7   13 o 136.053 1.9438 914.019  26.103  906.165  38.973  920.409  35.154  135.422 2.9157 136.498 2.6092 -1.076721      3.912696  
1 1 1 -2  7   14 o 87.249  1.4210 375.821  12.238  372.811  17.893  378.466  16.774  86.882  2.0865 87.542  1.9413 -0.6608429     2.849959  
1 1 1 -2  7   15 o 102.922 1.6409 523.055  16.669  528.221  23.236  517.578  23.927  103.403 2.2766 102.352 2.3684 1.051353       3.285182  
1 1 1 -2  7   16 o 198.145 2.5731 1940.34  50.323  1947.58  68.257  1931.73  74.485  198.398 3.4856 197.538 3.8202 0.8600311      5.171370  
1 1 1 -2  7   17 o 42.451  1.6528 88.992   6.9253  92.372   9.4172  85.012   10.220  43.183  2.2169 41.398  2.5129 1.784256       3.351029  
1 1 1 -2  7   18 o 41.812  1.9047 86.355   7.8607  84.954   10.579  88.081   11.746  41.374  2.6037 42.109  2.8428 -0.7353821     3.854935  
1 1 1 -2  7   19 o 148.766 6.6089 1105.59  97.043  1158.30  137.311 1053.00  137.167 151.135 9.2492 143.877 9.7158 7.258118       13.41431  
1 1 1 -2  7   20 o 62.276  2.0780 191.687  12.773  187.262  17.431  196.819  18.772  61.511  2.8710 63.052  3.0163 -1.540749      4.164223  
1 1 1 -2  7   21 o 63.297  2.1218 198.138  13.256  193.985  13.589  279.764  60.246  62.626  2.1984 73.665  8.4380 -11.03935      8.719650  
1 1 1 -2  7   22 o 50.127  1.5222 124.179  7.5313  118.871  12.526  127.184  9.4251  48.910  2.6041 50.711  1.8830 -1.801174      3.213577  
1 1 1 -2  7   23 o 87.638  1.7320 379.831  14.982  386.658  22.084  374.010  20.392  88.317  2.5333 86.884  2.3779 1.433510       3.474493  
1 1 1 -2  7   24 o 101.285 1.8350 507.643  18.345  513.278  26.207  502.228  25.688  101.705 2.6106 100.609 2.5867 1.095825       3.675091  
1 1 1 -2  8   1  o 184.998 2.2451 1689.60  40.996  1761.72  58.033  1617.76  57.920  188.875 3.1129 180.989 3.2422 7.886551       4.494694  
1 1 1 -2  8   2  o 128.667 1.9013 817.235  24.147  831.735  31.935  797.877  36.898  129.791 2.4928 127.111 2.9409 2.680138       3.855247  
1 1 1 -2  8   3  o 78.449  1.3699 303.764  10.608  323.775  16.751  290.366  13.706  80.984  2.0955 76.696  1.8106 4.288773       2.769383  
1 1 1 -2  8   4  o 173.505 2.1610 1486.18  37.009  1446.86  52.303  1525.60  52.373  171.165 3.0958 175.764 3.0189 -4.598633      4.324089  
1 1 1 -2  8   5  o 126.662 2.1071 792.008  26.343  788.548  37.253  795.468  37.255  126.366 2.9867 126.920 2.9739 -0.5535355     4.214810  
1 1 1 -2  8   6  o 339.657 3.9798 5699.53  133.423 5817.70  188.699 5581.39  188.679 342.988 5.5739 335.935 5.6903 7.052826       7.965388  
1 1 1 -2  8   7  o 282.945 7.9532 3967.33  222.114 3915.66  314.086 4019.02  314.146 280.499 11.344 284.207 11.199 -3.708221      15.94066  
1 1 1 -2  8   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  8   9  o 297.187 8.2819 4380.53  242.936 4405.29  343.710 4355.81  343.417 297.288 11.713 295.600 11.770 1.688477       16.60544  
1 1 1 -2  8   10 o 107.304 1.7386 568.383  18.415  562.975  24.832  574.992  27.448  106.782 2.3560 107.910 2.5770 -1.128891      3.491694  
1 1 1 -2  8   11 o 227.831 3.4873 2564.69  78.423  2536.38  95.978  2621.57  136.028 226.502 4.2931 230.082 5.9898 -3.580460      7.369419  
1 1 1 -2  8   12 o 260.732 3.6574 3360.48  94.123  3305.29  120.310 3447.54  151.117 258.443 4.7163 263.763 5.8045 -5.319550      7.479054  
1 1 1 -2  8   13 o 112.384 1.7561 623.613  19.480  640.270  27.485  606.800  27.612  113.850 2.4459 110.831 2.5241 3.018982       3.514743  
1 1 1 -2  8   14 o 48.902  1.2511 118.054  6.0387  116.489  8.4891  119.657  8.5919  48.570  1.7708 49.226  1.7683 -0.6559715     2.502528  
1 1 1 -2  8   15 o 229.135 3.0682 2596.17  69.391  2558.12  98.038  2634.36  98.229  227.222 4.3713 230.594 4.3158 -3.372543      6.142822  
1 1 1 -2  8   16 o 23.082  2.7219 26.701   6.0821  31.335   8.2384  21.150   9.0170  24.932  3.4393 20.254  4.6136 4.678268       5.754456  
1 1 1 -2  8   17 o 135.874 2.7602 912.758  37.018  907.135  52.054  918.510  52.654  135.335 3.8968 136.178 3.9173 -0.8433380     5.525437  
1 1 1 -2  8   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  8   19 o 96.695  1.6427 461.798  15.678  442.911  22.009  481.256  22.339  94.658  2.3556 98.674  2.2936 -4.016533      3.287807  
1 1 1 -2  8   20 o 55.372  1.4150 151.424  7.7334  152.616  11.880  150.548  10.188  55.563  2.1662 55.197  1.8699 0.3660393      2.861626  
1 1 1 -2  8   21 o 40.233  1.9928 80.034   7.9136  75.753   11.049  84.543   11.340  38.996  2.8911 41.219  2.8039 -2.222809      4.027436  
1 1 1 -2  8   22 o 53.891  1.7973 143.617  9.5603  140.897  12.978  146.844  14.137  53.332  2.4654 54.432  2.6313 -1.099712      3.605810  
1 1 1 -2  8   23 o 67.620  1.7359 226.153  11.586  208.084  15.964  246.262  16.841  64.787  2.4964 70.490  2.4205 -5.702705      3.477244  
1 1 1 -2  8   24 o 13.021  4.7038 7.1491   7.7533  7.5059   11.752  6.8740   10.317  14.783  5.6979 13.977  5.3509 0.8060255      7.816504  
1 1 1 -2  9   1  o 269.927 3.8235 3599.19  101.868 3623.66  132.695 3564.08  158.962 270.756 4.9653 268.423 5.9998 2.332977       7.787942  
1 1 1 -2  9   2  o 416.714 5.1824 8584.96  213.159 8825.01  278.543 8245.71  331.137 422.255 6.6832 407.856 8.2256 14.39880       10.59837  
1 1 1 -2  9   3  o 168.797 2.4304 1406.70  40.493  1444.33  53.941  1358.10  61.292  171.016 3.1956 165.811 3.7450 5.204407       4.923116  
1 1 1 -2  9   4  o 126.897 1.6908 794.862  21.178  810.742  28.446  775.115  31.721  128.149 2.2489 125.296 2.5650 2.853630       3.411260  
1 1 1 -2  9   5  o 198.584 2.6887 1947.16  52.701  1997.96  74.578  1896.49  74.483  201.112 3.7570 195.934 3.8513 5.178268       5.380305  
1 1 1 -2  9   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  9   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  9   8  o 305.472 4.2128 4611.20  127.021 4600.47  179.632 4621.93  179.638 304.916 5.9686 305.628 5.9549 -0.7122192     8.431140  
1 1 1 -2  9   9  o 103.867 1.8225 532.547  18.685  525.445  26.424  539.649  26.424  103.160 2.5951 104.545 2.5607 -1.385643      3.645792  
1 1 1 -2  9   10 o 207.098 2.7994 2118.17  57.223  2119.36  81.003  2116.98  80.848  207.084 3.9630 206.968 3.9576 0.1157837      5.600710  
1 1 1 -2  9   11 f 254.187 3.3347 3192.52  83.666  3194.90  118.370 3190.14  118.273 254.128 4.7191 253.939 4.7187 0.1893311      6.673521  
1 1 1 -2  9   12 o 150.671 2.7409 1121.51  40.763  1591.56  143.821 1080.45  42.506  178.779 8.1503 147.878 2.9121 30.90193       8.654913  
1 1 1 -2  9   13 o 173.292 2.4383 1483.51  41.706  1461.55  58.817  1505.72  59.146  171.917 3.4662 174.499 3.4340 -2.581833      4.879209  
1 1 1 -2  9   14 o 236.187 3.2790 2758.88  76.441  2715.40  114.104 2794.28  102.960 234.005 4.9402 237.498 4.3921 -3.493454      6.610321  
1 1 1 -2  9   15 f 83.943  1.4718 347.921  12.195  350.084  17.143  345.706  17.350  84.185  2.0631 83.655  2.1012 0.5295715      2.944782  
1 1 1 -2  9   16 o 61.785  6.3245 192.075  38.026  211.550  53.797  172.630  53.756  64.358  8.6911 57.759  9.7780 6.598469       13.08219  
1 1 1 -2  9   17 o 118.711 6.4589 704.658  75.395  748.213  106.783 661.360  106.467 121.619 8.9585 114.115 9.5399 7.503914       13.08681  
1 1 1 -2  9   18 o 112.773 1.8068 628.191  20.111  606.496  29.231  647.690  27.713  110.751 2.6741 114.467 2.4528 -3.716805      3.628621  
1 1 1 -2  9   19 o 99.846  1.6810 492.423  16.567  461.709  23.074  525.106  23.802  96.638  2.4190 103.065 2.3397 -6.427185      3.365390  
1 1 1 -2  9   20 o 19.566  1.8094 19.077   3.4547  18.059   3.5666  34.541   13.904  19.019  1.9265 25.816  5.6162 -6.797001      5.937387  
1 1 1 -2  9   21 o 26.499  2.8795 35.199   7.4103  30.542   10.270  40.257   10.703  24.394  4.4287 28.185  3.9560 -3.791555      5.938295  
1 1 1 -2  9   22 o 85.827  2.3092 364.778  19.562  0.0000   0.0000  364.778  19.562  ?       ?      85.827  2.3092 0.000000       2.309196  
1 1 1 -2  9   23 o 46.891  1.6125 108.725  7.4630  103.091  8.7548  123.702  14.275  45.639  1.9434 49.821  2.9155 -4.182178      3.503861  
1 1 1 -2  9   24 o 33.374  4.3486 56.741   13.984  68.211   19.038  43.299   20.610  36.344  5.4771 28.451  7.3022 7.892529       9.128022  
1 1 1 -2  10  1  o 218.699 3.0091 2361.97  64.956  2462.38  107.818 2304.76  81.384  223.183 4.8944 215.993 3.8174 7.190018       6.207045  
1 1 1 -2  10  2  o 175.176 2.5855 1515.15  44.704  1545.82  63.190  1484.43  63.253  176.901 3.6190 173.349 3.6968 3.551727       5.173319  
1 1 1 -2  10  3  o 126.894 1.7878 794.848  22.392  782.532  33.598  804.690  30.036  125.889 2.7039 127.666 2.3836 -1.777054      3.604501  
1 1 1 -2  10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  10  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  10  6  o 181.738 3.7007 1631.68  66.384  1655.06  93.887  1608.31  93.875  182.946 5.1994 180.338 5.2739 2.607559       7.405890  
1 1 1 -2  10  7  o 370.984 4.3301 6802.10  158.557 6872.13  224.234 6732.07  224.232 372.624 6.0967 368.797 6.1600 3.827820       8.666900  
1 1 1 -2  10  8  o 146.643 2.0921 1061.59  30.282  1074.09  42.910  1049.20  42.741  147.481 2.9478 145.762 2.9708 1.719666       4.185061  
1 1 1 -2  10  9  o 10.526  1.9336 5.6429   1.9348  14.090   2.7267  -2.9244  2.7460  16.812  1.6650 4.8330  2.2686 11.97947       2.814070  
1 1 1 -2  10  10 o 142.894 1.9820 1008.11  27.954  1000.43  41.514  1014.48  37.811  142.313 2.9554 143.320 2.6728 -1.007660      3.984772  
1 1 1 -2  10  11 o 137.755 2.0109 936.998  27.342  970.330  38.236  902.122  39.112  140.152 2.7640 135.128 2.9325 5.023804       4.029800  
1 1 1 -2  10  12 o 201.143 2.5180 1998.66  49.991  2040.19  70.769  1957.29  70.627  203.127 3.5298 198.950 3.5966 4.177094       5.039338  
1 1 1 -2  10  13 o 73.168  1.9394 264.390  14.006  0.0000   0.0000  264.390  14.006  ?       ?      73.168  1.9394 0.000000       1.939439  
1 1 1 -2  10  14 o 84.976  1.4572 356.531  12.222  357.673  17.110  355.340  17.466  85.094  2.0371 84.814  2.0864 0.2798843      2.915927  
1 1 1 -2  10  15 o 106.777 6.4546 570.132  67.707  587.374  95.486  552.696  96.020  107.713 9.0656 104.356 9.4237 3.356064       13.07634  
1 1 1 -2  10  16 o 47.676  2.8448 112.800  13.326  271.506  52.095  101.688  13.785  73.345  7.2927 45.232  3.1064 28.11229       7.926749  
1 1 1 -2  10  17 o 46.559  1.9263 107.084  8.8521  99.779   11.906  116.113  13.237  44.840  2.7028 48.376  2.7838 -3.536049      3.880054  
1 1 1 -2  10  18 o 118.184 1.8572 689.998  21.665  664.465  31.529  712.836  29.819  115.909 2.7559 120.075 2.5160 -4.166405      3.731654  
1 1 1 -2  10  19 o 54.177  1.6499 144.982  8.8230  156.867  13.706  136.571  11.530  56.323  2.4654 52.563  2.2223 3.760239       3.319143  
1 1 1 -2  10  20 o 18.618  4.6251 17.927   8.4613  16.858   12.156  18.932   11.785  18.530  5.9012 19.334  5.7510 -0.8043098     8.239985  
1 1 1 -2  10  21 o 44.366  2.0418 97.350   8.9415  87.498   12.188  108.831  13.158  41.909  2.9656 46.775  2.8637 -4.866341      4.122567  
1 1 1 -2  10  22 o 64.223  1.7535 203.975  11.115  196.118  15.698  211.875  15.741  62.904  2.5283 65.392  2.4387 -2.487942      3.512811  
1 1 1 -2  10  23 o 76.969  6.5231 304.204  49.091  313.579  69.764  295.010  69.090  76.595  9.4267 74.118  9.6749 2.476555       13.50802  
1 1 1 -2  10  24 o 50.477  6.9986 133.346  33.931  148.631  48.438  118.619  47.545  52.038  9.7897 45.952  10.685 6.086178       14.49146  
1 1 1 -2  11  1  o 134.624 1.7123 894.654  22.753  889.284  32.143  900.046  32.213  134.204 2.4266 135.014 2.4172 -0.8098450     3.425086  
1 1 1 -2  11  2  o 412.609 10.098 8461.95  411.259 8510.56  581.571 8413.33  581.646 412.331 14.290 409.934 14.375 2.396851       20.26919  
1 1 1 -2  11  3  o 128.598 6.5381 820.653  82.715  764.010  116.363 878.509  117.602 123.664 9.6086 132.746 9.0291 -9.082306      13.18526  
1 1 1 -2  11  4  o 161.775 6.5647 1295.40  104.824 1406.56  148.945 1186.31  147.551 168.118 9.0087 154.240 9.7420 13.87822       13.26889  
1 1 1 -2  11  5  o 297.289 3.4937 4365.42  102.518 4216.98  144.897 4514.22  145.068 292.060 5.0264 302.194 4.8635 -10.13470      6.994186  
1 1 1 -2  11  6  o 100.354 1.4632 497.106  14.494  470.790  20.267  524.648  20.735  97.652  2.1027 103.088 2.0378 -5.435593      2.928125  
1 1 1 -2  11  7  o 271.422 3.5119 3639.67  94.086  3661.38  133.098 3617.99  133.018 272.084 4.9561 270.464 4.9827 1.620331       7.027806  
1 1 1 -2  11  8  f 45.473  1.1405 102.063  5.1192  106.270  7.1627  97.670   7.3191  46.398  1.5640 44.481  1.6671 1.917553       2.285867  
1 1 1 -2  11  9  o 128.148 2.1124 810.833  26.719  812.410  37.828  809.264  37.744  128.241 2.9885 127.993 2.9877 0.2484818      4.225808  
1 1 1 -2  11  10 o 197.202 2.8252 1921.15  54.992  1969.75  73.821  1860.55  82.428  199.605 3.7470 193.938 4.3061 5.666748       5.708049  
1 1 1 -2  11  11 o 246.329 3.0123 2998.62  73.239  3065.16  103.652 2932.27  103.500 248.885 4.2193 243.416 4.3078 5.468735       6.029943  
1 1 1 -2  11  12 o 253.500 3.3177 3177.65  83.015  3189.64  117.385 3165.67  117.415 253.732 4.6871 252.773 4.7061 0.9592133      6.642018  
1 1 1 -2  11  13 f 152.166 3.6893 1145.93  55.412  1116.31  78.362  1175.55  78.366  149.965 5.2940 153.915 5.1584 -3.949905      7.391560  
1 1 1 -2  11  14 o 232.960 7.4841 2713.07  172.090 2657.94  243.404 2768.18  243.339 229.018 10.768 233.846 10.543 -4.827530      15.06952  
1 1 1 -2  11  15 o 83.435  1.7099 343.806  14.082  328.786  16.973  376.977  25.223  81.577  2.1080 87.306  2.9270 -5.729599      3.607079  
1 1 1 -2  11  16 o 81.715  1.4784 329.727  11.924  342.627  17.108  317.538  16.629  83.275  2.0814 80.167  2.1015 3.107750       2.957788  
1 1 1 -2  11  17 o 82.891  1.6213 339.343  13.265  320.899  18.244  360.027  19.321  80.578  2.2939 85.349  2.2935 -4.771271      3.243821  
1 1 1 -2  11  18 o 110.081 2.2062 598.925  23.971  603.940  42.152  596.528  29.143  110.372 3.8693 109.821 2.6885 0.5504532      4.711616  
1 1 1 -2  11  19 o 82.774  1.6185 338.446  13.223  323.232  18.228  355.346  19.212  80.856  2.2840 84.777  2.2959 -3.920807      3.238504  
1 1 1 -2  11  20 o 60.768  1.6233 182.446  9.7364  175.407  15.025  187.542  12.784  59.535  2.5568 61.588  2.1029 -2.052288      3.310565  
1 1 1 -2  11  21 o 127.752 2.0441 807.281  25.776  780.588  34.943  839.141  38.176  125.493 2.8210 130.083 2.9733 -4.590416      4.098599  
1 1 1 -2  11  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  11  23 o 31.288  3.9639 49.701   11.967  55.969   17.417  44.097   16.471  32.827  5.5748 28.964  5.9601 3.863407       8.160907  
1 1 1 -2  11  24 o 56.561  1.8254 158.381  10.191  166.382  18.072  154.651  12.339  57.703  3.1855 55.847  2.2385 1.855175       3.893348  
1 1 1 -2  12  1  o 166.702 6.6777 1377.98  109.876 1389.80  155.389 1366.16  155.388 166.754 9.4800 165.307 9.5643 1.447128       13.46648  
1 1 1 -2  12  2  o 310.074 8.5008 4779.30  260.171 4693.27  367.860 4865.40  368.014 306.118 12.175 311.761 11.959 -5.642944      17.06610  
1 1 1 -2  12  3  o 232.669 4.0799 2675.96  93.697  2105.32  241.633 2776.95  101.650 204.777 12.007 236.992 4.3455 -32.21579      12.76942  
1 1 1 -2  12  4  o 310.550 4.1734 4767.51  127.925 4660.28  190.688 4855.27  172.501 306.710 6.2989 313.189 5.5802 -6.478638      8.415162  
1 1 1 -2  12  5  o 387.222 4.8865 7417.11  186.762 7299.21  264.041 7535.15  264.201 383.669 6.9724 389.849 6.8660 -6.179382      9.785519  
1 1 1 -2  12  6  o 47.590  1.1442 111.786  5.3748  102.388  7.6466  120.965  7.5566  45.542  1.7011 49.502  1.5466 -3.960659      2.299026  
1 1 1 -2  12  7  o 99.300  1.5433 486.756  15.126  481.736  21.218  491.943  21.570  98.774  2.1764 99.814  2.1893 -1.040558      3.087054  
1 1 1 -2  12  8  o 43.511  1.1630 93.446   4.9946  96.545   7.1166  90.439   7.0113  44.223  1.6304 42.801  1.6596 1.421543       2.326500  
1 1 1 -2  12  9  o 174.981 2.2053 1512.07  38.088  1550.03  53.903  1474.21  53.828  177.109 3.0834 172.717 3.1574 4.391312       4.413287  
1 1 1 -2  12  10 o 81.205  1.4568 325.549  11.676  323.806  16.183  327.441  16.864  80.976  2.0248 81.427  2.0983 -0.4513168     2.915889  
1 1 1 -2  12  11 o 125.305 1.8197 775.346  22.507  751.190  31.738  799.782  31.921  123.299 2.6078 127.228 2.5419 -3.929230      3.641748  
1 1 1 -2  12  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  12  13 o 220.273 7.2827 2423.91  158.339 2576.99  224.371 2272.03  223.482 225.883 10.064 211.513 10.740 14.36983       14.71801  
1 1 1 -2  12  14 o 59.820  1.3450 176.685  7.9415  170.242  11.097  183.449  11.370  58.706  1.9150 60.941  1.8903 -2.235252      2.690814  
1 1 1 -2  12  15 o 190.996 3.8188 1807.30  71.993  1761.24  78.135  2066.22  185.240 188.469 4.2002 202.313 9.2764 -13.84343      10.18298  
1 1 1 -2  12  16 o 123.948 1.8833 758.956  23.040  757.423  33.958  760.264  31.365  123.750 2.7801 124.002 2.5626 -0.2521210     3.780975  
1 1 1 -2  12  17 o 134.482 2.1250 893.753  28.207  884.702  38.462  904.285  41.492  133.719 2.9141 135.168 3.1100 -1.448029      4.261905  
1 1 1 -2  12  18 o 48.493  1.1518 116.105  5.5132  113.606  6.9525  120.339  9.0490  47.962  1.4686 49.352  1.8576 -1.390411      2.368059  
1 1 1 -2  12  19 o 160.867 2.2724 1279.62  36.082  1214.67  50.649  1346.55  51.416  156.568 3.2774 164.872 3.1595 -8.303864      4.552371  
1 1 1 -2  12  20 o 165.756 2.3508 1359.40  38.460  1350.68  52.660  1369.36  56.305  165.037 3.2327 166.124 3.4339 -1.086670      4.716110  
1 1 1 -2  12  21 o 43.569  7.1996 98.861   29.880  94.866   41.555  103.138  42.995  41.794  10.170 43.592  10.177 -1.798313      14.38766  
1 1 1 -2  12  22 o 35.849  3.1114 64.365   10.900  61.029   15.413  67.703   15.417  34.591  4.6307 36.525  4.3627 -1.934258      6.362136  
1 1 1 -2  12  23 f 61.488  1.9823 187.249  12.030  194.833  18.226  181.394  16.015  62.586  2.9505 60.430  2.6849 2.156654       3.989247  
1 1 1 -2  12  24 o 18.233  5.8513 16.680   11.934  16.121   24.065  16.862   13.743  20.915  8.1278 18.642  6.2935 2.273838       10.27955  
1 1 1 -2  13  1  f 234.807 2.9751 2724.54  68.951  2657.79  102.143 2780.41  93.458  231.725 4.4658 237.079 3.9938 -5.354584      5.991203  
1 1 1 -2  13  2  o 281.488 3.4832 3916.99  96.778  3870.46  143.131 3956.18  131.356 279.527 5.1877 282.698 4.7075 -3.170654      7.005250  
1 1 1 -2  13  3  o 151.171 2.1066 1128.48  31.432  1118.41  44.486  1138.51  44.418  150.450 2.9957 151.798 2.9645 -1.347641      4.214578  
1 1 1 -2  13  4  o 211.479 7.2115 2222.09  150.531 2163.44  213.863 2279.68  211.917 207.647 10.468 213.526 10.055 -5.879410      14.51510  
1 1 1 -2  13  5  o 167.710 2.1367 1388.92  35.370  1362.05  49.921  1416.01  50.122  166.028 3.0463 169.288 2.9996 -3.259506      4.275223  
1 1 1 -2  13  6  o 231.863 3.2338 2656.93  74.007  2726.01  99.419  2571.07  110.833 234.733 4.2910 227.874 4.9277 6.858322       6.534132  
1 1 1 -2  13  7  o 161.604 2.2870 1289.83  36.479  1282.58  51.649  1297.05  51.530  161.088 3.2483 161.996 3.2227 -0.9083099     4.575755  
1 1 1 -2  13  8  o 55.496  1.2997 152.033  7.1195  149.973  9.9654  154.180  10.175  55.111  1.8320 55.879  1.8448 -0.7675438     2.599864  
1 1 1 -2  13  9  o 133.505 1.7356 880.076  22.871  892.735  32.327  867.390  32.362  134.428 2.4364 132.504 2.4744 1.924103       3.472568  
1 1 1 -2  13  10 o 163.503 2.1249 1320.47  34.293  1361.81  48.595  1279.45  48.400  165.975 2.9663 160.871 3.0482 5.104279       4.253242  
1 1 1 -2  13  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  13  12 o 80.104  2.1168 317.007  16.736  327.940  23.689  306.110  23.649  81.433  2.9472 78.671  3.0456 2.762436       4.238073  
1 1 1 -2  13  13 o 99.737  1.6247 491.264  15.994  506.092  22.793  476.881  22.449  101.198 2.2819 98.232  2.3153 2.965836       3.250839  
1 1 1 -2  13  14 o 31.132  1.0599 47.846   3.2568  53.074   4.6292  42.722   4.5827  32.784  1.4306 29.369  1.5868 3.415144       2.136425  
1 1 1 -2  13  15 o 115.191 1.8131 655.464  20.614  655.055  28.023  655.947  30.431  115.108 2.4665 115.169 2.6770 -0.6036377E-01 3.640007  
1 1 1 -2  13  16 o 24.209  1.0100 28.932   2.4134  27.955   4.0845  29.456   2.9915  23.724  1.7568 24.393  1.2467 -0.6690331     2.154157  
1 1 1 -2  13  17 o 46.559  1.5844 107.071  7.2814  134.185  13.064  94.852   8.7701  52.089  2.5409 43.811  2.0281 8.278072       3.251062  
1 1 1 -2  13  18 f 17.495  4.7755 15.717   8.4772  9.4171   12.402  21.241   11.614  15.799  5.9070 20.322  5.6073 -4.522513      8.144603  
1 1 1 -2  13  19 o 56.871  2.2441 159.954  12.597  150.815  14.825  183.689  23.892  55.196  2.7212 60.676  4.0120 -5.480362      4.847795  
1 1 1 -2  13  20 o 86.096  6.4854 375.684  54.709  345.883  76.869  406.275  77.880  81.250  9.7816 88.492  9.0435 -7.241463      13.32155  
1 1 1 -2  13  21 o 90.163  1.7479 402.008  15.556  406.252  22.399  398.055  21.620  90.542  2.5064 89.633  2.4437 0.9089737      3.500524  
1 1 1 -2  13  22 o 78.408  2.0244 304.451  15.667  308.060  22.157  300.843  22.156  78.739  2.8509 77.805  2.8851 0.9341660      4.056025  
1 1 1 -2  13  23 o 38.813  1.8282 74.589   7.0040  81.628   15.533  72.792   7.8470  40.177  3.9690 38.268  2.0853 1.908268       4.483435  
1 1 1 -2  13  24 o 21.276  2.1238 22.668   4.4003  20.825   4.5522  48.912   17.177  20.355  2.3064 30.432  5.9318 -10.07716      6.364390  
1 1 1 -2  14  1  f 135.732 1.9393 909.888  25.981  906.821  34.906  913.696  38.903  135.463 2.6106 135.955 2.8991 -0.4915314     3.901273  
1 1 1 -2  14  2  o 64.052  1.1842 202.529  7.4867  196.980  10.183  209.058  11.045  63.161  1.6335 65.067  1.7197 -1.905865      2.371819  
1 1 1 -2  14  3  o 61.609  1.1833 187.369  7.1960  184.788  9.9042  190.255  10.473  61.176  1.6402 62.073  1.7093 -0.8969955     2.369013  
1 1 1 -2  14  4  o 32.519  1.7262 52.364   5.5209  57.624   7.4345  45.897   8.2435  34.083  2.2221 30.348  2.7830 3.734982       3.561247  
1 1 1 -2  14  5  f 115.662 6.3942 666.920  72.714  692.335  103.222 641.884  102.449 117.287 8.9848 112.833 9.2812 4.453606       12.91770  
1 1 1 -2  14  6  o 87.599  1.2940 378.820  11.188  370.065  15.977  387.243  15.672  86.567  1.8699 88.555  1.7929 -1.988640      2.590577  
1 1 1 -2  14  7  o 212.439 2.7376 2230.37  57.403  2286.03  77.845  2164.02  84.985  214.954 3.6691 209.071 4.1182 5.882813       5.515604  
1 1 1 -2  14  8  o 102.239 1.7367 516.171  17.526  525.467  24.787  506.879  24.783  103.126 2.4352 101.283 2.4790 1.842567       3.474969  
1 1 1 -2  14  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  14  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  14  11 o 130.101 1.9393 836.131  24.903  850.138  35.366  822.354  35.073  131.126 2.7325 128.964 2.7553 2.162552       3.880526  
1 1 1 -2  14  12 o 187.617 2.6284 1740.42  48.674  1745.82  68.935  1735.04  68.737  187.734 3.7202 187.154 3.7210 0.5802155      5.261674  
1 1 1 -2  14  13 o 202.599 2.5986 2029.59  51.966  2076.05  73.587  1983.37  73.395  204.717 3.6418 200.080 3.7165 4.637451       5.203332  
1 1 1 -2  14  14 o 145.643 2.3431 1048.56  33.684  1060.26  47.651  1036.87  47.621  146.337 3.2990 144.709 3.3340 1.627701       4.690370  
1 1 1 -2  14  15 o 236.318 2.9491 2763.60  68.788  2774.80  97.302  2752.42  97.259  236.476 4.1687 235.516 4.1839 0.9604950      5.906183  
1 1 1 -2  14  16 o 20.110  5.1808 20.894   10.347  120.057  34.594  11.151   10.843  48.339  7.4930 15.911  5.5821 32.42752       9.343729  
1 1 1 -2  14  17 o 96.118  1.6692 456.400  15.836  466.100  22.812  447.377  22.002  97.084  2.3806 95.117  2.3435 1.966927       3.340548  
1 1 1 -2  14  18 o 94.909  6.4791 453.969  60.332  454.784  86.103  453.182  84.564  93.933  9.4135 93.833  9.2509 0.9980774E-01  13.19824  
1 1 1 -2  14  19 o 184.660 7.0574 1721.95  128.633 1716.78  182.065 1727.10  181.764 181.923 10.180 182.513 10.130 -0.5906219     14.36113  
1 1 1 -2  14  20 o 56.595  1.6178 158.314  9.0374  162.354  12.794  154.290  12.768  57.271  2.2632 55.826  2.3171 1.444515       3.239015  
1 1 1 -2  14  21 o 102.406 1.9916 519.074  20.131  497.631  28.273  541.122  28.670  100.113 2.8612 104.414 2.7818 -4.300301      3.990644  
1 1 1 -2  14  22 o 73.731  1.8189 269.110  13.237  262.778  17.054  278.705  20.993  72.780  2.3741 74.869  2.8408 -2.089249      3.702205  
1 1 1 -2  14  23 o 99.443  2.4051 490.995  23.607  471.033  28.462  535.002  42.258  97.248  2.9651 103.190 4.1490 -5.942520      5.099595  
1 1 1 -2  14  24 o 28.659  1.8507 40.866   5.2072  37.829   5.5208  65.348   15.675  27.543  2.0453 35.687  4.5540 -8.143831      4.992181  
1 1 1 -2  15  1  o 231.389 2.8366 2647.41  64.786  2672.81  91.541  2621.91  91.702  232.278 3.9927 230.046 4.0386 2.232330       5.679117  
1 1 1 -2  15  2  o 89.522  1.3897 395.695  12.280  382.182  17.795  407.980  16.967  87.957  2.0497 90.884  1.8914 -2.926750      2.789037  
1 1 1 -2  15  3  o 170.145 2.3472 1430.49  39.419  1469.31  52.374  1379.77  59.867  172.360 3.0785 166.954 3.6329 5.405212       4.761888  
1 1 1 -2  15  4  o 48.147  1.2059 114.440  5.7306  120.205  7.3197  105.312  9.2109  49.340  1.5030 46.173  2.0211 3.166893       2.518678  
1 1 1 -2  15  5  o 92.465  1.4541 422.148  13.271  424.552  19.240  419.967  18.328  92.704  2.1027 92.206  2.0139 0.4980621      2.911527  
1 1 1 -2  15  6  o 95.838  2.0540 453.725  19.430  453.725  19.430  0.0000   0.0000  95.838  2.0540 ?       ?      0.000000       2.054024  
1 1 1 -2  15  7  o 281.153 5.3151 3926.98  147.498 3928.54  208.351 3925.40  208.838 280.281 7.5313 280.158 7.5522 0.1224365      10.66564  
1 1 1 -2  15  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  15  9  o 12.934  4.7438 6.6135   7.9290  5.8960   11.608  7.2409   10.856  14.316  5.6219 14.451  5.4992 -0.1350231     7.864257  
1 1 1 -2  15  10 o 71.108  1.3546 249.662  9.5072  248.541  13.603  250.734  13.293  70.929  1.9430 71.243  1.8904 -0.3141403     2.710835  
1 1 1 -2  15  11 o 106.652 1.8461 561.904  19.433  569.997  27.516  553.850  27.450  107.366 2.5964 105.832 2.6278 1.534111       3.694163  
1 1 1 -2  15  12 o 44.301  1.7716 96.947   7.7464  91.781   11.203  101.679  10.723  42.998  2.6526 45.288  2.4076 -2.289288      3.582232  
1 1 1 -2  15  13 o 150.699 2.2153 1122.49  32.952  1114.03  46.488  1131.04  46.716  150.014 3.1396 151.157 3.1311 -1.142792      4.434059  
1 1 1 -2  15  14 o 139.305 2.1392 959.141  29.413  965.913  41.793  952.495  41.404  139.691 3.0311 138.718 3.0239 0.9726715      4.281555  
1 1 1 -2  15  15 o 38.026  1.5734 71.421   5.9052  68.788   12.618  72.159   6.6821  37.095  3.4873 38.217  1.7714 -1.122082      3.911379  
1 1 1 -2  15  16 o 36.444  1.3263 65.590   4.7708  73.435   6.7199  57.617   6.7745  38.553  1.7659 34.083  2.0228 4.469509       2.685182  
1 1 1 -2  15  17 o 71.260  6.7545 257.310  46.941  260.986  67.702  253.907  65.141  70.722  9.9758 69.836  9.7132 0.8857956      13.92352  
1 1 1 -2  15  18 o 114.789 6.5319 664.771  73.701  707.391  105.279 623.810  103.209 117.207 9.1734 109.798 9.6204 7.409561       13.29299  
1 1 1 -2  15  19 o 72.584  1.7387 260.425  12.456  255.280  17.570  265.626  17.663  71.803  2.4791 73.247  2.4430 -1.444008      3.480559  
1 1 1 -2  15  20 o 100.464 1.9387 499.363  19.225  520.421  27.560  479.406  26.830  102.435 2.7258 98.309  2.7650 4.126381       3.882719  
1 1 1 -2  15  21 o 38.647  2.9082 74.649   11.012  75.056   15.525  74.236   15.623  38.505  4.1504 38.279  4.2040 0.2256699      5.907626  
1 1 1 -2  15  22 o 69.728  1.6764 240.643  11.538  256.333  16.154  224.305  16.485  71.878  2.2769 67.203  2.4852 4.674355       3.370557  
1 1 1 -2  15  23 o 65.927  2.1944 215.683  14.280  212.139  19.893  219.449  20.510  65.208  3.0907 66.312  3.1336 -1.103958      4.401400  
1 1 1 -2  15  24 o 128.387 2.6447 820.900  33.515  786.266  41.054  890.101  58.031  125.325 3.3188 132.609 4.4336 -7.284035      5.538146  
1 1 1 -2  16  1  o 81.699  1.3498 329.572  10.885  317.855  15.526  340.899  15.265  80.212  1.9610 83.073  1.8617 -2.860954      2.703947  
1 1 1 -2  16  2  o 214.363 2.6823 2272.18  56.753  2304.00  80.211  2240.28  80.311  215.656 3.7683 212.641 3.8264 3.015625       5.370415  
1 1 1 -2  16  3  o 97.335  1.6178 467.897  15.543  458.324  22.873  476.109  21.185  96.294  2.4065 98.157  2.1866 -1.863815      3.251579  
1 1 1 -2  16  4  f 63.919  1.1988 201.709  7.5630  199.290  11.059  203.835  10.366  63.520  1.7639 64.244  1.6347 -0.7240486     2.404944  
1 1 1 -2  16  5  o 96.411  1.5259 459.016  14.521  463.068  20.382  454.840  20.692  96.806  2.1331 95.939  2.1851 0.8667374      3.053630  
1 1 1 -2  16  6  o 38.073  7.6487 75.188   27.746  76.404   37.962  73.794   40.653  38.133  9.9726 37.557  10.538 0.5766029      14.50847  
1 1 1 -2  16  7  o 144.175 6.6011 1038.37  93.938  1079.01  132.167 996.883  133.540 145.863 9.2276 139.971 9.7262 5.891800       13.40700  
1 1 1 -2  16  8  o 196.075 2.4916 1900.73  48.221  1904.73  68.197  1896.73  68.192  196.107 3.5232 195.693 3.5304 0.4140625      4.987669  
1 1 1 -2  16  9  o 118.772 1.7092 696.797  20.037  710.652  28.406  683.076  28.268  119.897 2.4003 117.544 2.4365 2.352318       3.420237  
1 1 1 -2  16  10 o 119.530 1.6937 705.724  19.983  727.917  28.377  683.895  28.144  121.344 2.3693 117.612 2.4244 3.731171       3.389868  
1 1 1 -2  16  11 o 52.153  1.6401 134.347  8.4428  142.477  12.206  126.889  11.691  53.685  2.3034 50.662  2.3379 3.023052       3.282000  
1 1 1 -2  16  12 o 33.321  1.2961 54.826   4.2626  58.649   6.0508  51.059   6.0060  34.409  1.7878 32.089  1.9047 2.319080       2.612313  
1 1 1 -2  16  13 o 105.965 1.7254 554.715  18.046  542.704  25.551  566.671  25.492  104.755 2.4712 107.049 2.4126 -2.293327      3.453595  
1 1 1 -2  16  14 o 67.049  1.3246 222.002  8.7662  225.937  12.406  218.077  12.389  67.620  1.8587 66.432  1.8894 1.188049       2.650421  
1 1 1 -2  16  15 f 14.710  4.9525 10.072   8.5101  17.574   14.186  5.8540   10.637  19.221  6.3934 13.841  5.3967 5.379868       8.366583  
1 1 1 -2  16  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  16  17 o 61.585  2.6299 187.764  15.987  188.727  22.525  186.787  22.692  61.536  3.7262 61.210  3.7744 0.3260689      5.303832  
1 1 1 -2  16  18 o 30.027  4.9773 46.220   14.235  35.185   15.282  118.538  39.122  25.947  6.0744 47.425  8.6773 -21.47873      10.59221  
1 1 1 -2  16  19 o 45.818  2.5524 104.349  11.497  95.249   16.429  113.083  16.094  43.562  3.8610 47.568  3.4514 -4.006199      5.178797  
1 1 1 -2  16  20 o 46.537  1.7251 107.128  7.9242  102.984  9.0494  120.751  16.408  45.609  2.0102 49.128  3.4048 -3.518978      3.953923  
1 1 1 -2  16  21 o 84.179  1.7794 350.792  14.785  338.795  20.616  363.495  21.214  82.597  2.5288 85.558  2.5120 -2.961403      3.564432  
1 1 1 -2  16  22 o 27.653  1.7890 38.035   4.8569  38.885   15.257  37.939   5.1234  27.053  5.8814 27.606  1.8917 -0.5527534     6.178100  
1 1 1 -2  16  23 o 82.990  6.8044 361.671  55.248  335.410  78.012  388.094  78.253  76.798  10.572 83.536  9.6693 -6.737572      14.32677  
1 1 1 -2  16  24 o 86.247  6.9413 394.842  58.590  369.341  82.578  420.694  83.144  79.669  10.778 85.964  9.9849 -6.295044      14.69227  
1 1 1 -2  17  1  o 138.963 1.9476 954.106  26.713  961.829  36.211  944.883  39.569  139.458 2.6307 138.193 2.9009 1.265030       3.916047  
1 1 1 -2  17  2  o 73.430  1.3110 266.245  9.5017  272.584  13.185  259.397  13.704  74.283  1.7983 72.459  1.9162 1.823822       2.627888  
1 1 1 -2  17  3  o 57.370  1.2875 162.515  7.2904  168.596  10.817  157.453  9.8686  58.417  1.8760 56.457  1.7709 1.960094       2.579848  
1 1 1 -2  17  4  o 67.079  6.6774 227.195  43.623  240.620  61.119  213.254  62.282  68.358  9.2998 64.016  10.199 4.342400       13.80246  
1 1 1 -2  17  5  o 182.443 6.9846 1667.23  125.778 1653.52  176.836 1681.27  178.936 180.061 9.9890 181.549 10.024 -1.488083      14.15162  
1 1 1 -2  17  6  o 138.217 1.9373 943.906  26.430  949.894  38.848  938.746  36.063  138.562 2.8405 137.768 2.6520 0.7933807      3.886059  
1 1 1 -2  17  7  o 167.207 2.2497 1382.00  37.129  1336.24  54.932  1420.48  50.380  164.250 3.3883 169.412 3.0128 -5.161972      4.534104  
1 1 1 -2  17  8  o 100.954 2.2841 503.829  22.760  492.765  23.509  669.189  90.883  99.832  2.3858 114.983 8.0588 -15.15099      8.404517  
1 1 1 -2  17  9  o 127.368 1.9248 801.601  24.199  789.544  34.304  813.543  34.141  126.326 2.7512 128.238 2.6973 -1.911774      3.852805  
1 1 1 -2  17  10 f 121.555 1.8731 730.081  22.474  750.868  32.026  709.914  31.544  123.202 2.6337 119.791 2.6679 3.410606       3.748827  
1 1 1 -2  17  11 o 74.833  1.4542 276.572  10.741  292.427  15.480  261.853  14.916  76.920  2.0389 72.786  2.0762 4.134071       2.909912  
1 1 1 -2  17  12 o 89.321  1.6115 394.116  14.208  405.222  20.315  383.482  19.878  90.529  2.2735 88.066  2.2869 2.462868       3.224650  
1 1 1 -2  17  13 o 79.636  1.4906 313.252  11.716  309.922  16.575  316.577  16.564  79.178  2.1209 80.025  2.0970 -0.8471451     2.982556  
1 1 1 -2  17  14 o 22.537  8.2541 21.083   23.993  29.456   30.709  7.9657   38.439  25.962  9.3641 23.703  9.8840 2.259581       13.61543  
1 1 1 -2  17  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  17  16 o 47.288  1.6145 110.493  7.5355  95.221   10.618  125.993  10.696  43.794  2.4664 50.472  2.1471 -6.678318      3.270022  
1 1 1 -2  17  17 o 35.298  1.4031 61.554   4.8883  60.842   6.9141  62.265   6.9122  35.017  2.0088 35.428  1.9847 -0.4105415     2.823880  
1 1 1 -2  17  18 o 38.814  1.1853 74.414   4.5411  72.614   6.4309  76.205   6.4133  38.324  1.7001 39.262  1.6549 -0.9381409     2.372559  
1 1 1 -2  17  19 o 92.727  2.6568 426.599  24.317  398.937  25.268  773.355  89.462  89.633  2.8561 122.456 7.4368 -32.82317      7.966376  
1 1 1 -2  17  20 o 39.649  1.5155 77.749   5.9310  69.951   8.4148  85.447   8.3609  37.489  2.2850 41.529  2.0397 -4.040760      3.062940  
1 1 1 -2  17  21 o 55.305  1.4430 151.306  7.8769  151.282  10.980  151.331  11.306  55.239  2.0139 55.241  2.0736 -0.1514435E-02 2.890554  
1 1 1 -2  17  22 o 38.995  7.8793 83.322   29.284  91.361   42.345  75.954   40.540  39.534  10.624 36.120  10.647 3.414562       15.04113  
1 1 1 -2  17  23 f 46.857  4.5658 112.487  20.848  144.670  49.537  105.559  22.983  49.833  10.407 45.110  5.2606 4.723106       11.66116  
1 1 1 -2  18  1  o 36.155  1.8977 64.769   6.7487  69.286   9.4643  60.097   9.6258  37.337  2.5840 34.733  2.8324 2.603992       3.834008  
1 1 1 -2  18  2  o 33.465  7.8928 58.641   25.648  74.854   36.321  42.516   36.222  37.644  9.7110 29.891  10.217 7.753742       14.09549  
1 1 1 -2  18  3  o 53.304  6.8272 144.650  35.095  154.997  49.623  134.295  49.640  54.468  9.5799 50.413  10.323 4.054409       14.08345  
1 1 1 -2  18  4  o 103.142 1.5854 525.467  16.140  494.584  23.277  554.060  22.398  100.013 2.3580 105.874 2.1433 -5.860229      3.186528  
1 1 1 -2  18  5  o 117.449 1.6946 681.442  19.644  681.876  27.618  680.996  27.947  117.430 2.3828 117.351 2.4128 0.7868195E-01  3.391050  
1 1 1 -2  18  6  o 95.879  1.8051 454.192  17.083  471.519  27.908  443.810  21.603  97.603  2.8969 94.742  2.3101 2.860893       3.705223  
1 1 1 -2  18  7  o 107.811 1.7396 574.246  18.512  589.971  26.364  558.953  26.000  109.220 2.4455 106.307 2.4778 2.912903       3.481437  
1 1 1 -2  18  8  o 78.348  1.4991 303.192  11.593  301.948  16.461  304.415  16.328  78.155  2.1339 78.475  2.1080 -0.3202972     2.999545  
1 1 1 -2  18  9  o 43.400  1.2203 93.007   5.2273  88.687   7.3860  97.342   7.3990  42.367  1.7662 44.388  1.6888 -2.021538      2.443667  
1 1 1 -2  18  10 o 181.210 2.5399 1624.54  45.429  1636.87  64.170  1612.16  64.324  181.676 3.5785 180.291 3.6146 1.385437       5.086368  
1 1 1 -2  18  11 o 73.892  1.5786 269.730  11.514  286.913  16.592  253.773  15.990  76.174  2.2068 71.636  2.2614 4.537659       3.159736  
1 1 1 -2  18  12 o 57.803  1.7412 165.097  9.9340  167.207  14.224  163.087  13.880  58.134  2.4789 57.415  2.4492 0.7188950      3.484784  
1 1 1 -2  18  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  18  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  18  15 o 49.778  1.4225 122.411  6.9894  113.922  9.5790  132.076  10.221  47.997  2.0220 51.680  2.0038 -3.683826      2.846649  
1 1 1 -2  18  16 o 141.488 2.2119 990.648  30.890  992.114  43.596  989.169  43.775  141.404 3.1236 141.189 3.1412 0.2142487      4.429888  
1 1 1 -2  18  17 o 16.904  5.6946 13.513   11.252  17.492   17.291  10.591   14.819  19.800  7.0389 16.948  6.4307 2.851364       9.534140  
1 1 1 -2  18  18 o 27.060  1.6889 36.356   4.4885  37.146   4.7058  28.385   14.942  27.348  1.7526 23.249  6.3375 4.098551       6.575380  
1 1 1 -2  18  19 o 36.348  1.5720 65.351   5.6400  65.315   7.9925  65.386   7.9598  36.227  2.2463 36.248  2.2357 -0.2130508E-01 3.169235  
1 1 1 -2  18  20 o 69.966  2.2419 242.948  15.482  244.255  22.150  241.699  21.649  69.950  3.2082 69.597  3.1515 0.3531876      4.497141  
1 1 1 -2  18  21 o 41.058  8.0400 92.600   31.417  95.317   46.090  90.242   42.938  40.048  11.214 39.182  10.769 0.8655968      15.54809  
1 1 1 -2  18  22 o 52.623  3.4036 139.458  17.584  143.167  25.199  135.939  24.548  52.768  4.8938 51.406  4.8973 1.361668       6.923341  
1 1 1 -2  18  23 o 46.807  1.2219 108.382  5.6454  111.280  9.3619  106.726  7.0768  47.333  2.0038 46.415  1.5447 0.9185486      2.530124  
1 1 1 -2  19  1  o 119.854 6.5500 723.588  77.194  721.569  109.549 725.578  108.792 118.407 9.4522 118.787 9.3546 -0.3801117     13.29862  
1 1 1 -2  19  2  o 79.109  2.0279 309.363  15.834  311.745  23.046  307.233  21.793  79.340  2.9428 78.776  2.8028 0.5635300      4.063965  
1 1 1 -2  19  3  o 147.646 2.1721 1077.86  31.655  1058.54  42.711  1101.40  47.151  146.201 2.9598 149.087 3.2042 -2.886230      4.361972  
1 1 1 -2  19  4  o 64.552  1.6702 205.873  10.641  203.802  14.510  208.284  15.653  64.195  2.2900 64.888  2.4440 -0.6927795     3.349230  
1 1 1 -2  19  5  o 115.674 1.6927 661.098  19.326  663.969  27.057  658.107  27.613  115.863 2.3660 115.344 2.4254 0.5190582      3.388283  
1 1 1 -2  19  6  o 119.886 1.9013 710.339  22.498  679.562  31.081  744.212  32.607  117.176 2.6874 122.623 2.6941 -5.446327      3.805247  
1 1 1 -2  19  7  o 64.663  1.4568 206.534  9.2981  218.266  14.267  197.871  12.259  66.440  2.1755 63.271  1.9631 3.168980       2.930270  
1 1 1 -2  19  8  o 107.683 1.7297 572.974  18.385  601.975  26.499  546.057  25.529  110.308 2.4338 105.057 2.4619 5.251167       3.461852  
1 1 1 -2  19  9  o 67.453  1.7319 224.830  11.531  228.657  21.359  223.255  13.699  67.922  3.1859 67.198  2.0653 0.7239304      3.796757  
1 1 1 -2  19  10 o 29.279  0.9371 42.323   2.7080  42.445   3.3130  42.078   4.7008  29.318  1.1449 29.136  1.6412 0.1818943      2.001095  
1 1 1 -2  19  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  19  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  19  13 o 76.752  1.9677 291.294  14.907  304.271  21.541  279.367  20.650  78.366  2.7848 75.091  2.7862 3.275650       3.939305  
1 1 1 -2  19  14 o 11.807  1.3913 6.9821   1.5903  8.2997   2.3722  5.9067   2.1432  12.812  1.9362 10.743  2.0963 2.068732       2.853710  
1 1 1 -2  19  15 o 144.659 2.2566 1035.90  32.220  1050.02  45.650  1021.88  45.483  145.423 3.1803 143.453 3.2123 1.970535       4.520312  
1 1 1 -2  19  16 o 66.185  2.1501 216.861  14.046  211.952  19.882  221.753  19.846  65.324  3.0836 66.827  3.0087 -1.503426      4.308254  
1 1 1 -2  19  17 o 60.986  1.5685 183.910  9.4419  180.992  13.340  186.839  13.365  60.439  2.2362 61.411  2.2050 -0.9720001     3.140473  
1 1 1 -2  19  18 o 38.294  1.0753 72.450   4.0645  77.164   5.0612  63.888   6.8209  39.511  1.2978 35.865  1.9339 3.645401       2.329035  
1 1 1 -2  19  19 o 52.473  1.3466 136.167  6.9744  137.640  12.120  135.437  8.5278  52.649  2.3323 52.305  1.6518 0.3432083      2.857975  
1 1 1 -2  19  20 o 32.758  8.5723 60.186   28.038  62.083   41.075  58.532   38.367  32.916  10.876 32.091  10.507 0.8253860      15.12207  
1 1 1 -2  19  21 o 20.640  1.2715 21.154   2.5777  21.553   3.6493  20.757   3.6417  20.772  1.7976 20.377  1.8301 0.3949013      2.565317  
1 1 1 -2  19  22 o 52.370  1.5177 135.853  7.8453  125.257  11.052  146.616  11.138  50.178  2.2315 54.317  2.0776 -4.138771      3.048883  
1 1 1 -2  19  23 o 14.395  6.4836 -6.6920  19.402  2.2457   46.930  -8.5346  21.309  23.080  10.262 14.839  6.7290 8.240103       12.27125  
1 1 1 -2  20  1  o 38.032  2.1345 71.784   7.9801  70.143   11.011  73.600   11.582  37.490  3.0008 38.397  3.0819 -0.9071655     4.301481  
1 1 1 -2  20  2  o 97.914  1.6681 473.815  16.121  463.597  22.228  485.153  23.415  96.788  2.3268 99.004  2.3961 -2.216385      3.339943  
1 1 1 -2  20  3  o 113.834 1.7823 640.505  20.025  648.106  28.106  632.667  28.539  114.423 2.4886 113.043 2.5578 1.380730       3.568655  
1 1 1 -2  20  4  o 94.538  1.6786 441.669  15.664  457.006  21.797  425.293  22.524  96.109  2.2978 92.697  2.4618 3.411774       3.367503  
1 1 1 -2  20  5  o 117.537 1.8381 682.884  21.324  686.014  29.610  679.511  30.735  117.719 2.5483 117.144 2.6582 0.5750427      3.682364  
1 1 1 -2  20  6  f 120.505 1.9676 717.972  23.403  699.675  31.934  739.197  34.395  118.860 2.7220 122.150 2.8528 -3.289886      3.943068  
1 1 1 -2  20  7  o 98.494  1.7627 479.478  17.136  466.858  24.626  491.326  23.861  97.108  2.5692 99.637  2.4262 -2.529236      3.533762  
1 1 1 -2  20  8  o 27.210  1.1285 36.563   3.0309  39.596   4.2931  33.549   4.2797  28.267  1.5446 26.001  1.6765 2.265598       2.279564  
1 1 1 -2  20  9  o 82.511  2.1098 336.735  17.182  349.995  24.302  323.482  24.297  84.033  2.9300 80.773  3.0475 3.259628       4.227528  
1 1 1 -2  20  10 o 128.251 6.7533 833.070  85.188  852.437  120.478 813.706  120.470 128.094 9.5987 124.975 9.8459 3.119820       13.75052  
1 1 1 -2  20  11 o 115.472 2.7164 660.675  30.960  697.808  43.785  623.544  43.784  118.460 3.7447 111.929 3.9631 6.531525       5.452466  
1 1 1 -2  20  12 o 40.879  1.3084 82.553   5.2792  85.918   7.4816  79.217   7.4503  41.685  1.8184 40.023  1.8859 1.661469       2.619772  
1 1 1 -2  20  13 o 15.133  1.5252 11.433   2.2472  16.974   3.1480  5.6760   3.2088  18.445  1.7500 10.552  2.9605 7.893399       3.439043  
1 1 1 -2  20  14 o 53.579  1.0957 141.788  5.7943  142.389  8.1979  141.188  8.1910  53.671  1.5475 53.443  1.5528 0.2272987      2.192233  
1 1 1 -2  20  15 o 38.008  1.2443 71.379   4.6681  80.485   6.6276  62.414   6.5761  40.341  1.6645 35.465  1.8854 4.876484       2.514984  
1 1 1 -2  20  16 o 40.556  1.0020 81.245   4.0108  84.731   5.6828  77.784   5.6617  41.400  1.3907 39.664  1.4461 1.736107       2.006308  
1 1 1 -2  20  17 o 78.603  1.8681 305.992  14.494  336.063  19.812  271.369  21.258  82.273  2.4397 73.837  2.9169 8.436531       3.802683  
1 1 1 -2  20  18 o 53.735  7.4258 154.071  38.333  143.543  54.148  164.648  54.274  49.516  11.325 53.616  10.631 -4.100456      15.53321  
1 1 1 -2  20  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  20  20 o 21.638  1.3158 23.253   2.7970  36.835   3.9923  10.161   3.9197  27.233  1.4909 14.002  2.9303 13.23121       3.287803  
1 1 1 -2  20  21 f 55.737  8.8413 175.775  47.016  179.936  58.668  168.305  78.604  54.281  11.317 48.575  14.940 5.705833       18.74217  
1 1 1 -2  20  22 o 11.731  5.0485 -0.0342  10.570  -0.5739  15.518  0.4329   14.437  13.941  6.0579 13.699  5.8977 0.2417517      8.454641  
1 1 1 -2  21  1  o 76.051  2.0898 286.389  15.687  281.152  16.097  385.202  69.920  75.343  2.1646 85.741  8.3686 -10.39823      8.644030  
1 1 1 -2  21  2  o 44.537  2.0011 98.168   8.7967  102.233  12.395  94.043   12.486  45.306  2.7852 43.424  2.9304 1.881657       4.042855  
1 1 1 -2  21  3  o 59.588  1.7283 175.584  10.165  183.759  14.378  167.416  14.373  60.905  2.3918 58.123  2.5053 2.782013       3.463687  
1 1 1 -2  21  4  o 53.886  1.8934 143.628  10.071  147.563  13.798  139.143  14.732  54.568  2.5618 52.890  2.8323 1.678375       3.819025  
1 1 1 -2  21  5  o 119.194 1.8849 702.673  22.175  671.072  31.265  734.662  31.457  116.345 2.7225 121.754 2.6175 -5.408432      3.776736  
1 1 1 -2  21  6  o 51.531  1.5726 131.246  7.9987  127.339  14.428  132.980  9.6109  50.585  2.9017 51.854  1.8778 -1.268242      3.456338  
1 1 1 -2  21  7  o 43.896  2.4680 95.742   10.649  89.543   14.750  102.492  15.392  42.286  3.5671 45.277  3.4706 -2.990604      4.976911  
1 1 1 -2  21  8  o 21.740  7.9361 20.219   22.154  17.061   31.253  23.409   31.409  23.222  9.1906 24.548  9.3508 -1.326637      13.11129  
1 1 1 -2  21  9  o 41.523  7.9233 91.063   31.289  108.711  44.308  73.510   44.189  44.675  10.264 36.858  11.176 7.817371       15.17366  
1 1 1 -2  21  10 o 14.400  5.4200 7.7594   10.475  3.9128   14.661  11.771   14.972  14.976  6.1616 17.360  6.4903 -2.383408      8.949255  
1 1 1 -2  21  11 o 30.122  1.5878 44.979   4.7041  68.047   38.737  44.634   4.7391  35.408  10.399 30.004  1.6061 5.404301       10.52256  
1 1 1 -2  21  12 o 116.551 2.0181 672.405  23.216  683.951  32.617  660.547  33.052  117.383 2.8151 115.336 2.9034 2.047012       4.044097  
1 1 1 -2  21  13 o 80.465  1.9799 320.531  15.724  331.681  22.632  310.126  21.863  81.724  2.8057 79.024  2.8029 2.699577       3.965945  
1 1 1 -2  21  14 o 87.230  1.9673 376.800  16.938  368.375  24.214  384.873  23.703  86.088  2.8497 88.021  2.7283 -1.932747      3.945134  
1 1 1 -2  21  15 o 69.894  1.6329 241.728  11.265  259.405  15.843  223.650  16.022  72.324  2.2193 67.124  2.4182 5.199570       3.282256  
1 1 1 -2  21  16 o 54.566  1.4860 147.311  8.0034  147.190  11.464  147.426  11.178  54.472  2.1322 54.523  2.0771 -0.5082321E-01 2.976703  
1 1 1 -2  21  17 o 74.463  8.0753 299.358  58.401  298.888  103.619 299.577  70.699  66.650  15.962 72.804  10.111 -6.153908      18.89492  
1 1 1 -2  21  18 o 29.152  1.2034 42.031   3.4626  39.501   4.9693  44.419   4.8275  28.167  1.7968 29.897  1.6422 -1.729115      2.434184  
1 1 1 -2  21  19 f 49.026  1.4008 119.003  6.7784  132.740  11.692  112.049  8.3190  51.639  2.2939 47.526  1.7734 4.113121       2.899480  
1 1 1 -2  21  20 o 62.353  1.3304 192.473  8.1882  202.558  11.595  182.440  11.565  63.876  1.8391 60.602  1.9334 3.273876       2.668385  
1 1 1 -2  21  21 o 23.463  1.2869 27.337   2.9689  37.367   4.2911  18.126   4.1118  27.404  1.5933 18.944  2.2425 8.459085       2.750910  
1 1 1 -2  22  1  o 47.783  1.2692 112.877  5.9861  100.375  8.6251  124.496  8.3147  45.008  1.9415 50.150  1.6798 -5.142227      2.567324  
1 1 1 -2  22  2  o 22.148  4.8876 25.716   10.398  20.562   11.055  65.281   30.629  19.806  5.4729 34.382  8.9414 -14.57527      10.48342  
1 1 1 -2  22  3  o 79.390  1.6546 311.851  12.965  307.379  18.209  316.450  18.465  78.717  2.3435 79.870  2.3423 -1.153152      3.313367  
1 1 1 -2  22  4  o 113.503 1.8566 637.745  20.800  629.313  29.141  646.501  29.698  112.579 2.6225 114.102 2.6369 -1.523155      3.718969  
1 1 1 -2  22  5  o 93.379  1.7351 431.439  15.992  431.972  21.824  430.821  23.501  93.333  2.3690 93.172  2.5555 0.1608810      3.484647  
1 1 1 -2  22  6  o 103.093 6.6326 545.791  67.133  548.574  95.062  543.022  94.819  101.227 9.6303 100.687 9.6594 0.5401001      13.63992  
1 1 1 -2  22  7  o 32.674  8.5402 57.875   27.850  56.912   39.091  58.868   39.687  32.605  10.602 33.073  10.676 -0.4683151     15.04633  
1 1 1 -2  22  8  o 106.592 1.8188 562.276  19.136  553.552  27.054  571.010  27.069  105.612 2.5953 107.273 2.5566 -1.661362      3.643018  
1 1 1 -2  22  9  o 59.815  2.2618 177.339  13.354  191.902  19.232  163.782  18.556  62.018  3.1521 57.251  3.2976 4.766510       4.561806  
1 1 1 -2  22  10 o 45.299  1.3948 101.443  6.2363  121.611  8.8918  81.920   8.7488  49.568  1.8174 40.598  2.1914 8.970448       2.846975  
1 1 1 -2  22  11 o 33.906  3.3951 57.894   11.209  47.761   16.114  67.395   15.603  30.226  5.6076 36.369  4.4386 -6.142981      7.151700  
1 1 1 -2  22  12 o 4.4708  1.9078 -0.0456  1.4867  -32.1171 29.287  0.0373   1.4886  15.249  7.2337 4.5356  1.9213 10.71382       7.484481  
1 1 1 -2  22  13 o 51.394  1.1211 130.532  5.6870  137.403  8.0456  123.671  8.0395  52.697  1.5468 49.988  1.6294 2.709480       2.246691  
1 1 1 -2  22  14 o 27.165  4.2558 38.026   11.036  41.363   15.883  34.911   15.347  27.888  5.9512 25.546  6.1584 2.342281       8.564013  
1 1 1 -2  22  15 o 97.997  2.9613 479.415  28.644  477.623  39.773  481.346  41.287  97.285  4.1420 97.587  4.2863 -0.3021164     5.960586  
1 1 1 -2  22  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  22  17 o 39.786  1.3979 78.369   5.4895  88.310   7.8508  68.858   7.6786  42.179  1.8857 37.161  2.1020 5.017960       2.823929  
1 1 1 -2  22  18 o 30.774  2.0122 47.270   6.0785  79.129   25.072  45.280   6.2654  37.993  6.9416 30.097  2.1227 7.895821       7.258930  
1 1 1 -2  22  19 o 33.492  4.3577 58.185   14.065  78.958   25.125  48.705   16.973  37.841  6.9841 29.988  5.9443 7.852470       9.171247  
1 1 1 -2  22  20 f 22.663  2.2487 25.854   4.9636  51.205   18.547  23.898   5.1515  30.493  6.3677 21.741  2.4429 8.752335       6.820243  
1 1 1 -2  22  21 o 30.346  8.6455 55.225   27.149  74.707   38.359  35.670   38.430  34.089  10.428 25.926  10.214 8.162800       14.59690  
1 1 1 -2  23  1  o 56.302  1.4948 156.904  8.3070  155.448  10.363  159.522  13.894  55.993  1.8751 56.622  2.4861 -0.6293411     3.113928  
1 1 1 -2  23  2  o 9.1832  4.0615 -2.1340  7.2575  -4.8284  10.337  0.4858   10.192  10.486  4.7268 11.757  5.0058 -1.271582      6.884857  
1 1 1 -2  23  3  o 64.946  2.0642 209.307  13.233  209.307  13.233  0.0000   0.0000  64.946  2.0642 ?       ?      0.000000       2.064225  
1 1 1 -2  23  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  23  5  o 63.607  8.1927 218.461  50.240  211.120  60.990  233.959  88.613  60.901  10.527 60.180  14.978 0.7215080      18.30691  
1 1 1 -2  23  6  o 23.957  1.2109 28.447   2.8541  3.9471   13.587  29.577   2.9192  14.382  5.9261 24.460  1.2092 -10.07783      6.048200  
1 1 1 -2  23  7  o 20.196  5.4949 21.525   11.245  21.661   16.901  21.418   15.062  20.812  6.9795 20.463  6.5744 0.3488274      9.588323  
1 1 1 -2  23  8  o 91.460  1.6178 414.087  14.605  411.151  20.652  417.024  20.657  90.994  2.2994 91.645  2.2836 -0.6514359     3.240675  
1 1 1 -2  23  9  o 73.178  2.1105 265.671  15.244  262.674  21.994  268.443  21.147  72.551  3.0714 73.382  2.9196 -0.8314514     4.237659  
1 1 1 -2  23  10 o 43.552  3.2041 95.276   13.677  111.012  17.963  73.567   21.098  46.835  3.9218 37.423  5.9078 9.412079       7.091026  
1 1 1 -2  23  11 o 73.404  2.0690 267.368  14.991  268.757  21.235  265.988  21.166  73.393  2.9313 73.013  2.9370 0.3806763      4.149474  
1 1 1 -2  23  12 o 20.801  1.1891 21.463   2.4312  27.917   3.4129  14.815   3.4641  23.704  1.4659 17.151  2.0895 6.553238       2.552418  
1 1 1 -2  23  13 o 75.338  2.9843 283.738  22.192  592.000  108.081 270.170  22.675  100.647 11.062 73.469  3.1269 27.17823       11.49565  
1 1 1 -2  23  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -2  23  15 o 20.075  8.1862 12.643   25.593  12.643   25.593  0.0000   0.0000  20.075  8.1862 ?       ?      0.000000       8.186199  
1 1 1 -2  23  16 o 34.249  2.1335 58.587   7.1764  56.371   7.4890  83.488   25.100  33.564  2.2740 39.117  6.7445 -5.552803      7.117495  
1 1 1 -2  23  17 o 20.291  1.1521 20.437   2.2980  22.095   3.3599  18.980   3.1500  21.043  1.6304 19.491  1.6530 1.551952       2.321752  
1 1 1 -2  23  18 o 50.682  4.0770 131.840  20.223  122.895  28.845  140.486  28.359  47.702  6.2790 51.428  5.6816 -3.726234      8.467976  
1 1 1 -2  23  19 o 26.172  4.9336 36.630   12.278  39.529   18.356  34.283   16.516  26.426  6.9460 24.723  6.6312 1.703384       9.603115  
1 1 1 -2  23  20 o 16.864  7.1326 5.9078   20.463  1.7695   29.196  9.9031   28.688  18.557  8.1798 19.731  8.3994 -1.174278      11.72432  
1 1 1 -2  24  1  o 3.3330  1.6451 -4.3375  1.9576  -4.6432  1.9874  5.6343   11.351  3.2982  1.6333 13.823  5.5173 -10.52460      5.753984  
1 1 1 -2  24  2  f 109.173 6.7717 632.523  72.610  622.532  102.544 642.570  102.829 103.983 10.119 105.888 9.9555 -1.905357      14.19556  
1 1 1 -2  24  3  f 52.059  7.3737 147.044  36.829  141.483  52.087  152.605  52.083  48.392  11.136 50.630  10.754 -2.238285      15.48093  
1 1 1 -2  24  4  o 63.982  2.6874 204.287  16.972  200.436  17.695  248.491  59.959  63.339  2.8305 66.155  9.4511 -2.816910      9.865841  
1 1 1 -2  24  5  o 39.081  2.8908 76.754   11.072  74.395   15.225  79.402   16.130  38.125  4.1109 39.365  4.2169 -1.239902      5.889131  
1 1 1 -2  24  6  o 70.937  1.7647 249.542  12.356  238.081  19.552  257.163  15.943  69.015  2.8702 71.904  2.2464 -2.888954      3.644772  
1 1 1 -2  24  7  o 38.602  3.1588 75.160   11.930  78.359   16.277  71.447   17.537  39.075  4.2910 37.071  4.9139 2.004150       6.523752  
1 1 1 -2  24  8  o 23.842  1.2511 28.199   2.9339  41.400   17.239  27.805   2.9773  27.569  6.4498 23.671  1.2790 3.897768       6.575378  
1 1 1 -2  24  9  o 66.312  2.3789 218.984  15.571  232.012  22.714  207.435  21.386  67.944  3.3870 64.160  3.3891 3.784050       4.791412  
1 1 1 -2  24  10 o 36.753  3.7914 68.904   13.557  62.130   19.758  74.931   18.635  34.024  6.1077 37.863  5.1175 -3.838516      7.968224  
1 1 1 -2  24  11 o 41.425  1.3319 84.945   5.4458  96.259   7.7185  73.730   7.6848  44.046  1.7754 38.465  2.0313 5.581505       2.697803  
1 1 1 -2  24  12 o 35.421  8.8033 72.787   30.644  88.374   43.426  57.326   43.250  37.722  10.991 31.162  11.127 6.560574       15.63993  
1 1 1 -2  24  13 o 9.4429  4.6684 -34.1929 15.986  -39.0273 22.889  -29.5891 22.336  11.968  5.8496 12.624  6.0762 -0.6556158     8.434363  
1 1 1 -2  24  14 o 20.347  7.8447 17.993   22.280  28.890   33.256  9.1198   30.010  24.551  9.5509 20.320  8.6184 4.231516       12.86453  
1 1 1 -2  24  15 o 41.602  3.1437 87.589   12.814  93.075   18.755  82.786   17.548  42.331  4.5608 39.910  4.5351 2.421192       6.431777  
1 1 1 -2  24  16 o 67.988  1.4729 229.177  9.8841  265.552  15.836  205.960  12.651  72.979  2.1984 64.329  1.9924 8.649338       2.966942  
1 1 1 -2  24  17 o 43.721  1.5095 94.827   6.5140  99.492   9.0080  89.714   9.4308  44.687  2.0423 42.331  2.2654 2.356743       3.050026  
1 1 1 -2  24  18 o 30.020  5.1565 48.473   14.728  43.867   18.845  55.700   23.609  27.711  6.9128 30.810  7.7659 -3.099335      10.39692  
1 1 1 -2  25  3  o 97.055  6.9528 510.936  66.164  498.876  92.743  523.435  94.420  90.878  10.535 93.248  10.438 -2.370094      14.82977  
1 1 1 -2  25  4  o 23.165  4.5250 28.363   9.9750  29.666   14.115  27.064   14.099  23.284  6.0770 22.256  6.1919 1.028589       8.675794  
1 1 1 -2  25  5  f 31.295  4.6118 51.189   13.818  47.422   14.757  77.992   39.369  29.885  5.1913 35.561  10.495 -5.675859      11.70879  
1 1 1 -2  25  6  o 81.149  1.8657 327.105  14.943  313.433  22.727  337.517  19.834  79.070  2.9121 82.241  2.4433 -3.171509      3.801305  
1 1 1 -2  25  7  o 49.040  2.6136 120.535  12.605  111.993  17.324  130.145  18.376  46.874  3.7765 50.580  3.7065 -3.705269      5.291538  
1 1 1 -2  25  8  o 24.192  1.7836 29.213   4.2288  33.987   15.648  28.836   4.3922  24.845  6.3552 24.022  1.8671 0.8233433      6.623820  
1 1 1 -2  25  9  o 104.318 2.0266 541.330  20.867  528.164  28.549  556.433  30.577  102.665 2.8173 105.304 2.9418 -2.639656      4.073261  
1 1 1 -2  25  10 o 20.967  8.0400 19.818   23.316  7.1106   33.379  31.928   32.584  20.751  8.9508 25.034  9.5269 -4.282701      13.07211  
1 1 1 -2  25  11 o 131.897 7.0721 947.991  91.734  959.093  129.480 936.802  129.985 125.748 10.529 123.810 10.743 1.938049       15.04245  
1 1 1 -2  25  12 o 45.437  3.0851 104.378  13.754  109.470  20.142  99.930   18.827  45.935  4.5003 43.917  4.4024 2.017799       6.295511  
1 1 1 -2  25  13 o 7.3117  2.6170 2.2858   2.3940  -5.8535  17.048  2.4496   2.4180  13.475  6.0728 7.4648  2.6345 6.010367       6.619624  
1 1 1 -2  25  14 o 31.909  1.3202 50.450   4.1579  43.532   5.9156  57.203   5.8453  29.489  2.0450 33.881  1.7539 -4.391785      2.694102  
1 1 1 -2  25  15 o 46.418  8.2500 125.919  36.414  133.621  51.625  118.293  51.370  44.371  11.642 41.261  11.935 3.109722       16.67266  
1 1 1 -2  25  16 o 28.885  1.6505 41.602   4.6862  37.361   18.528  41.891   4.8436  25.432  7.1064 28.976  1.7010 -3.544527      7.307095  
1 1 1 -2  26  8  o 27.125  7.2118 42.281   19.642  39.851   36.745  43.253   23.240  26.477  10.107 27.117  8.0784 -0.6406364     12.93894  
1 1 1 -2  26  9  o 29.734  8.7739 53.552   27.517  37.778   38.842  69.445   38.988  26.205  10.286 32.650  10.586 -6.444975      14.76045  
1 1 1 -2  26  10 o 20.385  5.6894 22.853   11.884  16.091   16.937  29.411   16.678  18.469  6.9035 22.830  6.8529 -4.361399      9.727325  
1 1 1 -2  26  11 f 57.610  2.6563 166.733  15.105  172.724  21.973  161.366  20.798  57.956  3.8632 56.058  3.7809 1.897846       5.405529  
1 1 1 -2  26  12 o 74.982  1.8342 279.933  13.575  293.365  19.643  267.653  18.782  76.419  2.6042 72.992  2.6070 3.427040       3.684881  
1 1 1 -2  26  13 o 23.951  8.5792 33.084   25.733  56.351   37.269  11.888   35.573  29.334  10.344 21.206  9.1934 8.127825       13.83908  
1 1 1 -1  -23 1  o 116.505 1.8284 672.635  21.026  636.828  29.457  709.824  30.020  113.111 2.6385 119.453 2.5462 -6.341713      3.666681  
1 1 1 -1  -23 2  f 31.216  2.7068 48.911   8.2576  50.281   10.716  46.909   12.956  31.479  3.5086 30.127  4.4945 1.351196       5.701878  
1 1 1 -1  -22 1  o 15.368  4.5361 12.104   7.3541  11.940   10.042  12.293   10.800  15.846  5.3796 16.190  5.5770 -0.3445349     7.748750  
1 1 1 -1  -22 2  o 22.668  3.1887 26.119   6.9374  24.977   9.7103  27.310   9.9149  21.852  4.6451 22.892  4.5483 -1.040251      6.501086  
1 1 1 -1  -22 3  o 18.740  3.7468 18.206   6.6882  16.503   8.9034  20.411   10.132  17.772  4.9119 19.687  5.1539 -1.915031      7.119610  
1 1 1 -1  -21 1  o 63.001  1.5169 196.247  9.4328  187.301  12.969  206.297  13.745  61.493  2.1367 64.533  2.1579 -3.040592      3.036780  
1 1 1 -1  -21 2  o 55.840  1.4968 154.189  8.2497  148.780  11.512  159.898  11.828  54.796  2.1286 56.808  2.1093 -2.012585      2.996688  
1 1 1 -1  -21 3  o 16.944  4.0085 14.952   6.5992  17.115   8.3246  11.293   10.826  18.099  4.6386 15.817  5.5754 2.281614       7.252676  
1 1 1 -1  -21 4  o 59.693  1.5426 176.262  9.0886  165.673  11.954  190.768  13.991  57.816  2.0948 62.015  2.2857 -4.199146      3.100465  
1 1 1 -1  -21 5  o 95.585  6.5959 473.524  61.848  491.707  88.036  455.803  86.908  95.038  9.5126 91.216  9.8069 3.822151       13.66256  
1 1 1 -1  -20 1  o 38.323  1.6908 72.598   6.3958  80.760   9.3325  65.369   8.7825  40.321  2.3552 36.248  2.4694 4.072353       3.412469  
1 1 1 -1  -20 2  o 87.348  1.4622 377.060  12.607  364.159  17.477  391.052  18.202  85.781  2.0642 88.891  2.0745 -3.109734      2.926496  
1 1 1 -1  -20 3  o 109.062 1.6177 588.167  17.414  564.858  24.271  612.896  24.999  106.772 2.3030 111.224 2.2772 -4.452415      3.238756  
1 1 1 -1  -20 4  o 16.440  6.5153 7.9889   15.725  12.189   22.844  4.2058   21.679  19.792  7.8498 17.680  7.4020 2.111134       10.78930  
1 1 1 -1  -20 5  o 104.616 1.5773 541.309  16.287  544.002  22.705  538.455  23.377  104.770 2.1956 104.219 2.2726 0.5511322      3.159905  
1 1 1 -1  -20 6  f 55.205  1.3097 150.645  7.1366  149.488  9.0335  152.566  11.640  54.966  1.6651 55.484  2.1255 -0.5181084     2.700048  
1 1 1 -1  -19 1  o 80.641  1.3820 321.190  11.000  333.797  16.034  309.980  15.119  82.175  1.9768 79.192  1.9342 2.983139       2.765653  
1 1 1 -1  -19 2  f 48.796  1.3707 117.610  6.6018  110.910  9.0257  125.318  9.6815  47.365  1.9306 50.347  1.9482 -2.981747      2.742756  
1 1 1 -1  -19 3  o 84.941  6.4801 366.081  53.919  358.884  77.061  372.985  75.470  82.772  9.6112 84.607  9.1847 -1.835045      13.29419  
1 1 1 -1  -19 4  o 44.955  1.6537 99.910   7.3377  99.125   8.6671  101.896  13.787  44.762  1.9617 45.196  3.1096 -0.4335098     3.676621  
1 1 1 -1  -19 5  o 70.458  1.6531 245.488  11.496  241.645  11.687  360.069  63.810  69.901  1.6940 83.243  7.8592 -13.34249      8.039674  
1 1 1 -1  -19 6  o 75.908  1.3196 284.758  9.8871  276.667  13.591  293.853  14.410  74.773  1.8415 77.054  1.8946 -2.281311      2.642133  
1 1 1 -1  -19 7  o 46.949  1.2364 108.919  5.7297  107.001  7.3422  111.908  9.1630  46.514  1.5992 47.543  1.9526 -1.029907      2.523930  
1 1 1 -1  -19 8  o 60.654  6.7311 191.166  39.618  198.877  55.456  183.129  56.619  60.385  9.6277 57.480  10.361 2.904663       14.14332  
1 1 1 -1  -18 1  o 81.942  2.5016 332.056  20.233  325.334  21.002  418.750  75.426  81.100  2.6237 90.662  8.5290 -9.562035      8.923461  
1 1 1 -1  -18 2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -18 3  o 62.115  6.4934 195.539  39.222  187.197  55.498  203.864  55.439  59.805  9.7366 62.631  9.2460 -2.825150      13.42721  
1 1 1 -1  -18 4  o 48.041  1.2161 113.979  5.7667  106.720  7.6099  123.768  8.8377  46.473  1.6590 50.042  1.7892 -3.569344      2.440017  
1 1 1 -1  -18 5  o 27.992  1.5855 38.846   4.3626  41.944   6.0788  35.556   6.2645  29.039  2.1358 26.693  2.4035 2.346813       3.215341  
1 1 1 -1  -18 6  o 104.562 1.4501 540.305  14.966  535.876  20.955  544.915  21.381  104.065 2.0401 104.935 2.0643 -0.8705826     2.902264  
1 1 1 -1  -18 7  o 41.491  1.1928 85.046   4.8850  78.483   6.1600  96.169   8.0189  39.843  1.5664 44.089  1.8427 -4.246471      2.418461  
1 1 1 -1  -18 8  o 30.422  2.0996 46.044   6.2659  44.348   6.3932  87.352   31.555  29.844  2.1856 40.409  8.1918 -10.56520      8.478342  
1 1 1 -1  -18 9  o 16.435  6.2932 9.7504   14.273  9.7202   21.173  9.7755   19.323  18.716  7.5125 18.138  7.2115 0.5780544      10.41358  
1 1 1 -1  -17 1  o 112.956 6.3812 638.854  70.854  600.310  100.456 677.011  99.950  108.547 9.4710 115.547 8.8306 -7.000710      12.94914  
1 1 1 -1  -17 2  o 208.139 4.4040 2150.13  90.477  2166.48  100.475 2080.00  208.060 208.797 4.8753 201.839 10.480 6.957901       11.55817  
1 1 1 -1  -17 3  o 103.643 1.4593 530.479  14.928  536.498  21.105  524.452  21.118  104.196 2.0521 103.018 2.0769 1.178055       2.919682  
1 1 1 -1  -17 4  o 10.893  3.0229 6.0456   3.3648  4.4839   4.8687  7.4736   4.6555  10.383  3.7304 12.197  3.6116 -1.813972      5.192233  
1 1 1 -1  -17 5  o 101.085 1.3925 504.669  13.894  491.998  19.658  517.316  19.639  99.768  1.9963 102.307 1.9448 -2.538910      2.787010  
1 1 1 -1  -17 6  o 53.430  1.0712 140.963  5.6491  136.652  8.0443  145.157  7.9348  52.591  1.5497 54.206  1.4831 -1.614491      2.144982  
1 1 1 -1  -17 7  o 109.401 1.7009 591.635  18.366  571.164  22.479  632.737  31.853  107.443 2.1197 112.969 2.8567 -5.526215      3.557204  
1 1 1 -1  -17 8  o 50.484  1.4447 125.952  7.1989  114.855  8.7182  149.734  12.763  48.189  1.8329 54.982  2.3517 -6.793491      2.981673  
1 1 1 -1  -17 9  o 39.710  6.9677 82.586   26.314  94.407   37.830  71.506   36.626  41.713  9.4119 36.215  9.9433 5.498341       13.69136  
1 1 1 -1  -17 10 o 43.841  7.0521 100.649  29.482  97.882   41.882  103.366  41.507  42.110  10.187 43.389  9.9095 -1.278656      14.21191  
1 1 1 -1  -16 1  o 189.672 2.4463 1778.14  45.798  1811.14  62.917  1740.94  66.793  191.301 3.3321 187.512 3.6089 3.789215       4.911875  
1 1 1 -1  -16 2  o 64.846  1.0553 207.582  6.7543  207.306  9.1817  207.908  9.9711  64.795  1.4357 64.886  1.5569 -0.9098053E-01 2.117794  
1 1 1 -1  -16 3  o 85.102  1.6070 357.668  13.499  358.836  13.745  325.892  71.708  85.240  1.6336 79.864  9.2690 5.375824       9.411906  
1 1 1 -1  -16 4  o 22.020  1.7102 24.094   3.6879  24.612   4.6687  23.232   6.0141  22.213  2.1565 21.477  2.9122 0.7367134      3.623735  
1 1 1 -1  -16 5  o 67.979  1.2104 228.163  8.1212  231.900  14.131  226.320  9.9238  68.503  2.0899 67.696  1.4852 0.8070679      2.563879  
1 1 1 -1  -16 6  o 94.695  1.2869 442.793  12.029  443.605  17.072  441.993  16.951  94.754  1.8253 94.582  1.8157 0.1718216      2.574631  
1 1 1 -1  -16 7  o 44.494  6.7175 101.622  28.582  115.791  40.741  87.887   40.110  46.898  9.1296 40.581  10.063 6.316410       13.58739  
1 1 1 -1  -16 8  o 46.159  1.2331 105.234  5.6181  100.235  6.7719  116.271  10.063  45.040  1.5233 48.484  2.1027 -3.443264      2.596480  
1 1 1 -1  -16 9  f 29.481  7.2856 45.965   21.078  47.679   30.389  44.376   29.262  30.188  9.2899 29.242  9.1355 0.9458733      13.02919  
1 1 1 -1  -16 10 o 53.763  6.5515 148.636  34.047  151.541  48.219  145.748  48.081  53.170  9.5385 52.046  9.7169 1.123699       13.61622  
1 1 1 -1  -16 11 o 66.841  6.4270 228.915  41.879  206.132  59.058  251.958  59.396  61.815  10.023 69.032  8.9262 -7.216873      13.42121  
1 1 1 -1  -15 1  f 86.096  1.1853 365.942  10.073  354.028  14.136  378.229  14.357  84.669  1.6915 87.517  1.6620 -2.847122      2.371400  
1 1 1 -1  -15 2  o 24.118  1.2789 28.799   3.0336  26.348   3.8803  32.651   4.8654  23.034  1.7191 25.638  1.9370 -2.603724      2.589814  
1 1 1 -1  -15 3  f 239.586 3.0143 2838.93  71.282  2950.77  97.023  2707.76  105.074 244.054 4.0277 233.665 4.5558 10.38960       6.080931  
1 1 1 -1  -15 4  o 109.412 1.9910 591.354  21.501  591.354  21.501  0.0000   0.0000  109.412 1.9910 ?       ?      0.000000       1.990978  
1 1 1 -1  -15 5  o 92.321  1.4284 420.855  13.017  464.464  22.732  399.581  15.877  96.942  2.3757 89.944  1.7884 6.997917       2.973617  
1 1 1 -1  -15 6  o 32.612  1.5480 52.523   4.9828  0.0000   0.0000  52.523   4.9828  ?       ?      32.612  1.5480 0.000000       1.547954  
1 1 1 -1  -15 7  o 27.562  1.2916 37.511   3.5137  34.669   4.0546  46.084   7.0412  26.448  1.5601 30.440  2.3620 -3.991980      2.830701  
1 1 1 -1  -15 8  o 97.472  2.4677 469.961  23.742  669.950  86.952  453.849  24.679  114.992 7.7054 95.774  2.6107 19.21815       8.135654  
1 1 1 -1  -15 9  o 71.880  6.3310 261.626  44.459  253.898  62.883  269.349  62.865  69.773  9.3675 72.023  9.0425 -2.249435      13.01985  
1 1 1 -1  -15 10 o 31.232  7.1673 51.420   21.627  50.732   30.743  52.093   30.429  31.058  9.3001 31.404  9.2151 -0.3458633     13.09230  
1 1 1 -1  -15 11 f 27.329  7.1587 39.411   19.541  41.290   27.466  37.484   27.806  28.256  8.8547 27.267  8.9455 0.9881306      12.58680  
1 1 1 -1  -15 12 o 93.953  6.4029 449.668  59.024  475.064  83.740  424.597  83.206  95.157  9.0237 89.603  9.5555 5.554436       13.14282  
1 1 1 -1  -14 1  o 163.577 2.1544 1321.73  34.784  1329.84  49.208  1313.64  49.177  164.004 3.0398 163.000 3.0566 1.003998       4.310866  
1 1 1 -1  -14 2  o 131.144 1.7033 849.299  22.048  799.086  31.301  898.743  31.060  127.164 2.4938 134.872 2.3332 -7.707458      3.415088  
1 1 1 -1  -14 3  o 147.732 1.8972 1077.92  27.665  1080.07  40.008  1075.95  38.296  147.817 2.7421 147.545 2.6296 0.2724915      3.799235  
1 1 1 -1  -14 4  o 138.261 2.0922 944.325  28.552  975.598  35.038  882.505  49.262  140.501 2.5265 133.519 3.7380 6.982376       4.511753  
1 1 1 -1  -14 5  o 126.603 1.8773 791.652  23.459  786.411  38.924  794.641  29.398  126.094 3.1275 126.813 2.3487 -0.7188034     3.911183  
1 1 1 -1  -14 6  o 136.920 9.2810 948.015  124.687 948.015  124.687 0.0000   0.0000  136.920 9.2810 ?       ?      0.000000       9.281007  
1 1 1 -1  -14 7  o 15.204  1.8688 11.591   2.7455  13.653   4.0522  9.8404   3.7330  16.421  2.5857 13.856  2.8253 2.564544       3.829887  
1 1 1 -1  -14 8  o 231.160 7.5174 2679.98  171.519 2667.95  242.555 2692.02  242.575 228.741 10.743 229.803 10.694 -1.062912      15.15872  
1 1 1 -1  -14 9  o 110.650 6.4261 614.913  69.881  603.192  98.020  627.028  99.653  108.595 9.2324 110.747 9.1997 -2.152115      13.03347  
1 1 1 -1  -14 10 o 124.638 6.4868 782.678  79.527  776.268  112.460 789.090  112.476 122.789 9.3494 123.848 9.2683 -1.059082      13.16480  
1 1 1 -1  -14 11 o 92.751  6.3488 435.608  57.772  438.151  81.720  433.066  81.685  91.800  9.1405 91.233  9.1964 0.5664368      12.96620  
1 1 1 -1  -14 12 o 55.876  6.4828 159.866  35.089  158.926  49.510  160.815  49.738  54.621  9.5299 54.960  9.5132 -0.3382874     13.46553  
1 1 1 -1  -14 13 o 74.788  6.4311 285.389  47.012  310.846  67.383  261.245  65.621  76.893  9.0516 70.073  9.7521 6.819809       13.30543  
1 1 1 -1  -13 1  o 244.642 2.9642 2957.75  71.578  3000.92  101.253 2914.61  101.200 246.257 4.1657 242.680 4.2249 3.576309       5.933159  
1 1 1 -1  -13 2  o 110.147 1.3999 598.954  15.219  613.837  21.540  584.120  21.506  111.488 1.9574 108.755 2.0034 2.733917       2.800941  
1 1 1 -1  -13 3  o 220.498 2.8967 2403.28  63.043  2444.08  89.175  2362.52  89.136  222.190 4.0662 218.439 4.1342 3.750366       5.798738  
1 1 1 -1  -13 4  o 26.829  0.8885 35.529   2.3528  40.545   3.1586  29.277   3.5265  28.659  1.1166 24.306  1.4769 4.352777       1.851486  
1 1 1 -1  -13 5  o 187.463 9.9289 1774.12  183.062 0.0000   0.0000  1774.12  183.062 ?       ?      187.463 9.9289 0.000000       9.928883  
1 1 1 -1  -13 6  o 67.311  1.0810 223.656  7.1818  212.809  12.363  229.180  8.8232  65.641  1.9082 68.133  1.3120 -2.491898      2.315709  
1 1 1 -1  -13 7  o 48.683  0.7382 116.982  3.5474  117.047  5.0438  116.919  4.9902  48.694  1.0494 48.667  1.0388 0.2648544E-01  1.476636  
1 1 1 -1  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -13 9  o 110.979 7.3689 619.354  80.260  601.592  98.164  655.173  139.395 108.797 9.2282 112.120 12.827 -3.323143      15.80144  
1 1 1 -1  -13 10 o 25.256  6.9224 32.990   17.770  36.812   25.191  29.205   25.070  27.078  8.4790 24.947  8.4998 2.130598       12.00590  
1 1 1 -1  -13 11 o 22.468  6.9107 25.443   16.819  26.557   23.705  24.315   23.866  23.915  8.2612 23.341  8.2726 0.5741558      11.69112  
1 1 1 -1  -13 12 o 38.595  6.7556 77.282   24.798  99.822   35.356  55.460   34.789  43.477  8.5436 32.534  9.9273 10.94333       13.09748  
1 1 1 -1  -13 13 o 116.101 6.4564 683.039  73.695  673.191  104.273 692.867  104.169 113.640 9.3801 115.399 9.2225 -1.759056      13.15443  
1 1 1 -1  -13 14 o 43.846  6.7625 99.684   28.325  103.251  40.310  96.205   39.810  43.715  9.6045 42.124  9.7652 1.590721       13.69687  
1 1 1 -1  -12 1  o 128.984 1.6258 821.316  20.699  800.665  29.246  842.041  29.299  127.332 2.3270 130.582 2.2732 -3.250511      3.253049  
1 1 1 -1  -12 2  o 57.718  0.7783 164.422  4.4340  159.193  6.3014  169.551  6.2402  56.790  1.1242 58.609  1.0787 -1.818836      1.558001  
1 1 1 -1  -12 3  f 120.398 1.5207 715.651  18.072  709.802  25.526  721.529  25.590  119.884 2.1572 120.870 2.1449 -0.9868317     3.042077  
1 1 1 -1  -12 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -12 5  o 153.666 2.1747 1166.39  32.985  1161.05  40.970  1176.21  55.609  153.276 2.7081 154.187 3.6540 -0.9109039     4.548100  
1 1 1 -1  -12 6  o 68.390  1.0065 230.874  6.7944  229.900  11.505  231.396  8.4194  68.233  1.7083 68.464  1.2459 -0.2308273     2.114368  
1 1 1 -1  -12 7  o 160.454 2.7905 1272.59  44.194  1192.81  65.273  1340.11  60.053  155.182 4.2615 164.559 3.6973 -9.376892      5.641799  
1 1 1 -1  -12 8  o 186.042 9.9222 1748.19  181.544 0.0000   0.0000  1748.19  181.544 ?       ?      186.042 9.9222 0.000000       9.922203  
1 1 1 -1  -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -12 10 o 63.475  9.3844 207.430  57.023  207.430  57.023  0.0000   0.0000  63.475  9.3844 ?       ?      0.000000       9.384418  
1 1 1 -1  -12 11 f 182.577 9.9854 1701.94  179.265 1701.94  179.265 0.0000   0.0000  182.577 9.9854 ?       ?      0.000000       9.985419  
1 1 1 -1  -12 12 o 86.370  6.2775 375.901  53.150  388.574  75.264  363.294  75.067  86.941  8.8960 83.916  9.2147 3.024849       12.80816  
1 1 1 -1  -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -12 14 o 92.208  6.3022 430.727  57.014  462.967  80.975  399.030  80.291  94.495  8.7823 87.335  9.4656 7.159813       12.91226  
1 1 1 -1  -12 15 o 20.905  6.6408 21.874   15.401  24.337   22.377  19.657   21.230  22.897  8.0198 21.366  7.7736 1.531662       11.16892  
1 1 1 -1  -11 1  o 160.004 1.9832 1263.89  31.321  1272.00  44.299  1255.78  44.291  160.490 2.7965 159.463 2.8140 1.026917       3.967199  
1 1 1 -1  -11 2  o 206.599 2.5259 2107.82  51.509  2061.54  72.814  2154.18  72.875  204.251 3.6118 208.795 3.5361 -4.544220      5.054583  
1 1 1 -1  -11 3  o 165.660 6.6598 1361.48  108.896 1373.56  153.980 1349.40  154.026 165.694 9.4543 164.204 9.5445 1.489822       13.43433  
1 1 1 -1  -11 4  o 88.585  1.2212 387.357  10.678  378.592  13.136  404.433  18.335  87.572  1.5197 90.499  2.0526 -2.927200      2.553949  
1 1 1 -1  -11 5  o 195.585 2.4454 1889.71  47.208  1858.72  65.741  1922.70  67.832  193.883 3.4353 197.187 3.4852 -3.303604      4.893623  
1 1 1 -1  -11 6  o 139.961 1.7411 967.283  24.053  937.003  33.935  997.851  34.096  137.714 2.4966 142.119 2.4306 -4.405289      3.484353  
1 1 1 -1  -11 7  o 69.003  1.6017 235.094  10.909  235.460  58.900  235.081  11.101  67.999  8.9965 69.000  1.6300 -1.000893      9.143018  
1 1 1 -1  -11 8  o 193.518 7.0314 1865.84  134.305 1787.22  190.993 1942.75  188.897 188.104 10.326 196.614 9.7336 -8.510483      14.19082  
1 1 1 -1  -11 9  o 57.384  9.2216 169.237  50.463  0.0000   0.0000  169.237  50.463  ?       ?      57.384  9.2216 0.000000       9.221648  
1 1 1 -1  -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -11 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -11 12 o 96.567  9.0563 475.872  85.312  475.872  85.312  0.0000   0.0000  96.567  9.0563 ?       ?      0.000000       9.056339  
1 1 1 -1  -11 13 o 109.214 9.1741 612.455  97.979  612.455  97.979  0.0000   0.0000  109.214 9.1741 ?       ?      0.000000       9.174125  
1 1 1 -1  -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -11 15 o 91.643  6.4521 425.849  57.989  444.421  82.214  407.461  81.807  92.423  9.1316 88.256  9.5429 4.167130       13.20804  
1 1 1 -1  -11 16 o 25.002  7.0931 32.682   18.314  38.163   26.419  27.612   25.411  27.300  8.7002 24.327  8.5446 2.973000       12.19445  
1 1 1 -1  -10 1  o 206.724 3.8170 2111.14  77.883  2090.95  110.104 2131.36  110.184 205.629 5.4248 207.610 5.3769 -1.981247      7.638076  
1 1 1 -1  -10 2  o 173.680 6.7489 1493.76  115.695 1532.55  162.645 1454.02  164.606 175.388 9.4298 170.756 9.8076 4.631790       13.60556  
1 1 1 -1  -10 3  o 91.645  1.1260 414.545  10.185  419.020  14.425  410.095  14.384  92.134  1.5862 91.147  1.5989 0.9866562      2.252186  
1 1 1 -1  -10 4  o 153.912 1.8988 1169.55  28.846  1194.32  40.822  1144.84  40.767  155.505 2.6596 152.247 2.7129 3.257813       3.799068  
1 1 1 -1  -10 5  o 65.584  0.7751 212.295  5.0175  218.030  7.1049  206.588  7.0869  66.462  1.0831 64.694  1.1098 1.767769       1.550721  
1 1 1 -1  -10 6  o 222.171 3.0949 2439.58  67.869  2408.01  112.613 2457.59  85.049  220.439 5.1757 222.898 3.8657 -2.459305      6.459994  
1 1 1 -1  -10 7  o 179.943 6.8222 1610.69  121.169 1630.29  171.417 1591.13  171.301 180.069 9.6801 177.848 9.7962 2.221329       13.77202  
1 1 1 -1  -10 8  f 115.922 6.4043 670.056  72.993  693.220  103.309 646.964  103.147 117.341 8.9881 113.254 9.3096 4.087418       12.94039  
1 1 1 -1  -10 9  o 91.222  6.1792 415.469  55.309  437.568  78.338  393.505  78.099  93.135  8.6195 88.166  9.1057 4.968964       12.53832  
1 1 1 -1  -10 10 o 164.931 6.8074 1354.73  110.820 1321.28  156.624 1388.26  156.823 161.801 9.8541 165.952 9.6152 -4.151367      13.76791  
1 1 1 -1  -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -10 12 o 279.203 11.684 3978.93  321.982 0.0000   0.0000  3978.93  321.982 ?       ?      279.203 11.684 0.000000       11.68364  
1 1 1 -1  -10 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -10 14 o 121.688 9.2994 760.650  110.850 760.650  110.850 0.0000   0.0000  121.688 9.2994 ?       ?      0.000000       9.299408  
1 1 1 -1  -10 15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -10 16 f 35.983  6.9719 67.673   23.868  72.051   34.040  63.439   33.476  36.654  9.3721 34.456  9.5248 2.197998       13.36261  
1 1 1 -1  -9  1  o 355.282 9.1465 6261.48  320.747 6247.34  453.588 6275.63  453.621 353.963 12.983 354.772 12.954 -0.8086853     18.34029  
1 1 1 -1  -9  2  o 178.334 2.3051 1570.08  40.575  1536.55  57.370  1603.62  57.392  176.389 3.2952 180.200 3.2268 -3.811111      4.611978  
1 1 1 -1  -9  3  o 300.168 3.5989 4450.61  106.629 4551.45  150.751 4349.65  150.840 303.420 5.0336 296.605 5.1523 6.814911       7.203069  
1 1 1 -1  -9  4  o 97.558  1.1793 469.757  11.356  448.442  16.016  491.302  16.103  95.313  1.7024 99.765  1.6353 -4.451668      2.360598  
1 1 1 -1  -9  5  o 385.279 4.5969 7341.17  174.812 7305.67  247.213 7376.68  247.230 383.939 6.5234 385.808 6.4923 -1.869019      9.203523  
1 1 1 -1  -9  6  f 73.054  1.1998 263.431  8.6513  270.113  12.155  256.570  12.316  73.968  1.6648 72.089  1.7309 1.879112       2.401598  
1 1 1 -1  -9  7  o 96.667  6.1579 465.595  58.449  452.260  82.614  478.960  82.704  94.767  8.9377 97.602  8.6753 -2.834999      12.45565  
1 1 1 -1  -9  8  o 126.245 6.3511 793.775  78.887  770.567  111.522 817.018  111.603 123.763 9.1949 127.527 8.9225 -3.763954      12.81241  
1 1 1 -1  -9  9  o 90.398  6.3559 408.101  56.351  428.207  80.450  388.735  78.955  92.087  8.9647 87.629  9.2692 4.457603       12.89510  
1 1 1 -1  -9  10 o 156.523 6.6068 1218.73  102.071 1202.20  144.300 1235.28  144.401 154.529 9.5068 156.689 9.3800 -2.159012      13.35527  
1 1 1 -1  -9  11 o 171.042 6.8658 1456.97  115.911 1451.26  163.817 1462.70  164.029 169.637 9.8258 170.316 9.7987 -0.6789246     13.87663  
1 1 1 -1  -9  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -9  13 o 36.669  7.9638 69.960   27.999  61.367   47.984  74.397   34.476  35.404  11.758 37.682  9.3209 -2.278332      15.00421  
1 1 1 -1  -9  14 o 29.293  9.0124 43.581   28.602  0.0000   0.0000  43.581   28.602  ?       ?      29.293  9.0124 0.000000       9.012395  
1 1 1 -1  -9  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -9  16 o 113.814 9.2925 670.859  103.480 670.859  103.480 0.0000   0.0000  113.814 9.2925 ?       ?      0.000000       9.292485  
1 1 1 -1  -9  17 f 54.815  9.6335 159.746  50.219  159.746  50.219  0.0000   0.0000  54.815  9.6335 ?       ?      0.000000       9.633474  
1 1 1 -1  -8  1  o 138.597 1.6864 948.171  23.070  909.138  32.598  987.338  32.654  135.702 2.4337 141.419 2.3393 -5.717850      3.375716  
1 1 1 -1  -8  2  o 64.155  0.7334 203.129  4.6444  194.158  6.5494  212.204  6.5870  62.721  1.0579 65.571  1.0178 -2.850239      1.468008  
1 1 1 -1  -8  3  o 113.716 1.4215 638.269  15.955  597.652  22.532  679.115  22.595  110.031 2.0747 117.292 1.9517 -7.261169      2.848434  
1 1 1 -1  -8  4  o 310.084 4.1774 4751.04  127.855 4749.21  209.311 4752.14  161.483 309.708 6.8471 310.008 5.2774 -0.2999268     8.644863  
1 1 1 -1  -8  5  o 47.695  0.5813 112.270  2.7364  104.759  4.5399  116.556  3.4293  46.071  0.9984 48.597  0.7149 -2.525726      1.227944  
1 1 1 -1  -8  6  o 153.294 6.5711 1164.48  99.425  1208.02  141.692 1122.24  139.548 155.549 9.2709 149.865 9.4828 5.684402       13.26167  
1 1 1 -1  -8  7  o 234.410 7.5086 2730.13  173.728 2762.71  245.712 2697.57  245.665 235.024 10.592 232.200 10.719 2.824173       15.06938  
1 1 1 -1  -8  8  o 367.016 13.470 6822.33  487.944 6829.58  689.905 6815.08  690.208 361.851 19.387 361.434 19.418 0.4172668      27.43944  
1 1 1 -1  -8  9  o 184.998 6.8791 1702.06  125.613 1662.33  177.582 1741.85  177.704 181.816 9.9330 186.204 9.7025 -4.388016      13.88533  
1 1 1 -1  -8  10 o 201.411 7.1635 2019.68  142.410 2030.65  201.397 2008.71  201.399 200.816 10.194 199.704 10.252 1.112228       14.45757  
1 1 1 -1  -8  11 o 38.333  6.5944 75.112   24.051  83.414   33.676  66.469   34.360  40.078  8.7578 35.785  9.5502 4.292664       12.95779  
1 1 1 -1  -8  12 o 141.487 6.5263 996.064  91.142  1020.67  127.944 970.709  129.867 142.386 9.1522 138.723 9.5425 3.662567       13.22209  
1 1 1 -1  -8  13 o 85.580  6.3629 366.573  53.364  403.310  75.745  330.370  75.193  89.268  8.7074 80.469  9.6601 8.798706       13.00529  
1 1 1 -1  -8  14 o 135.305 6.4365 913.347  85.959  937.811  121.766 889.043  121.365 136.084 9.1181 132.398 9.3471 3.686356       13.05787  
1 1 1 -1  -8  15 o 52.733  7.4809 142.471  37.847  145.547  65.582  140.935  46.342  51.876  12.870 51.929  9.3868 -0.5308151E-01 15.92943  
1 1 1 -1  -8  16 o 54.975  13.385 166.786  71.948  0.0000   0.0000  166.786  71.948  ?       ?      54.975  13.385 0.000000       13.38477  
1 1 1 -1  -8  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -8  18 o 62.274  9.5985 205.335  57.103  205.335  57.103  0.0000   0.0000  62.274  9.5985 ?       ?      0.000000       9.598546  
1 1 1 -1  -7  1  o 156.514 1.9173 1209.27  29.619  1217.36  41.881  1201.18  41.894  157.016 2.7024 155.968 2.7213 1.047653       3.835144  
1 1 1 -1  -7  2  o 170.002 2.0739 1426.68  34.800  1490.53  49.211  1362.82  49.217  173.743 2.8696 166.130 3.0015 7.613892       4.152516  
1 1 1 -1  -7  3  o 159.817 1.9510 1260.80  30.777  1233.04  43.518  1288.57  43.532  158.031 2.7899 161.551 2.7300 -3.520523      3.903405  
1 1 1 -1  -7  4  o 274.775 3.6096 3728.96  97.898  3734.74  138.445 3723.19  138.453 274.883 5.1026 274.457 5.1109 0.4262695      7.222047  
1 1 1 -1  -7  5  o 174.383 3.6620 1502.15  63.031  1570.66  162.965 1490.10  68.351  177.624 9.3278 173.667 3.9874 3.957108       10.14435  
1 1 1 -1  -7  6  o 88.551  6.1382 389.893  53.318  381.255  76.087  398.228  74.738  87.184  8.9697 89.181  8.5970 -1.996704      12.42436  
1 1 1 -1  -7  7  o 204.044 7.1240 2064.52  143.476 2068.26  202.890 2060.79  202.920 203.741 10.089 203.369 10.109 0.3720245      14.28213  
1 1 1 -1  -7  8  f 60.975  6.1032 186.128  36.239  192.941  51.358  179.374  51.142  61.660  8.6789 59.346  9.0142 2.313686       12.51313  
1 1 1 -1  -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -7  10 o 331.661 8.8711 5497.81  290.407 5350.50  410.599 5645.27  410.795 324.983 12.800 334.042 12.459 -9.059052      17.86287  
1 1 1 -1  -7  11 o 89.265  6.1190 397.585  53.588  418.929  75.835  376.299  75.733  91.187  8.5246 86.272  9.0274 4.914948       12.41626  
1 1 1 -1  -7  12 o 101.816 6.2143 517.028  62.152  535.098  87.919  498.977  87.873  103.073 8.7237 99.431  9.0529 3.642128       12.57208  
1 1 1 -1  -7  13 o 117.618 9.1129 697.700  104.968 700.113  148.106 695.266  148.792 116.516 13.106 116.062 13.224 0.4534378      18.61835  
1 1 1 -1  -7  14 o 64.414  6.2398 208.423  39.175  200.210  55.527  216.562  55.276  62.455  9.2905 65.118  8.8276 -2.663494      12.81559  
1 1 1 -1  -7  15 o 113.388 6.4704 643.953  72.116  649.853  102.099 638.079  101.876 113.063 9.2294 112.003 9.2994 1.060143       13.10196  
1 1 1 -1  -7  16 o 104.346 6.4259 547.462  65.861  549.313  93.213  545.617  93.070  103.526 9.2185 103.167 9.2375 0.3588333      13.05034  
1 1 1 -1  -7  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -7  18 o 29.698  9.0870 45.739   29.123  0.0000   0.0000  45.739   29.123  ?       ?      29.698  9.0870 0.000000       9.087023  
1 1 1 -1  -6  1  o 163.681 1.9924 1322.74  32.188  1407.22  45.546  1238.45  45.496  168.796 2.7337 158.343 2.9110 10.45291       3.993419  
1 1 1 -1  -6  2  o 162.942 1.9806 1310.69  31.853  1295.68  45.045  1325.70  45.050  161.982 2.8174 163.848 2.7856 -1.866333      3.961992  
1 1 1 -1  -6  3  o 181.017 2.2135 1617.60  39.548  1632.84  55.966  1602.41  55.892  181.840 3.1182 180.137 3.1435 1.703171       4.427735  
1 1 1 -1  -6  4  o 205.609 3.3081 2087.62  67.136  2065.10  94.929  2110.16  94.959  204.432 4.7045 206.653 4.6555 -2.220901      6.618586  
1 1 1 -1  -6  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -6  6  o 404.562 11.447 8150.81  457.102 7370.62  790.956 8542.04  560.105 380.062 21.169 413.343 13.729 -33.28076      25.23060  
1 1 1 -1  -6  7  o 157.730 6.5635 1231.70  102.184 1242.04  144.548 1221.37  144.471 157.867 9.3179 156.532 9.3942 1.335098       13.23152  
1 1 1 -1  -6  8  o 138.320 6.4796 948.032  88.465  984.511  125.162 911.615  125.053 140.399 9.0805 135.012 9.4435 5.387100       13.10098  
1 1 1 -1  -6  9  o 101.817 6.1747 515.877  61.761  493.651  87.214  538.235  87.473  99.124  9.0126 103.610 8.6320 -4.486229      12.47947  
1 1 1 -1  -6  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -6  11 o 204.710 7.1076 2085.08  143.613 2064.52  203.061 2105.66  203.138 202.846 10.142 204.889 10.045 -2.043060      14.27439  
1 1 1 -1  -6  12 o 151.747 6.6030 1144.91  98.900  1154.05  140.950 1136.03  138.807 151.478 9.4748 150.307 9.4034 1.170425       13.34902  
1 1 1 -1  -6  13 o 273.053 7.9975 3722.14  215.542 3737.02  304.836 3707.25  304.809 272.024 11.353 270.913 11.399 1.110565       16.08837  
1 1 1 -1  -6  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -6  15 f 166.432 6.7288 1381.56  110.536 1370.01  156.396 1393.09  156.248 164.549 9.6719 165.973 9.5784 -1.424210      13.61211  
1 1 1 -1  -6  16 o 106.849 6.4027 572.413  67.215  611.118  95.398  534.258  94.718  109.635 8.8922 102.253 9.4930 7.382202       13.00726  
1 1 1 -1  -6  17 o 81.248  6.3062 332.884  50.176  353.213  71.289  312.925  70.636  82.878  8.8516 77.758  9.3937 5.119591       12.90704  
1 1 1 -1  -6  18 o 93.439  6.3626 441.271  58.331  437.024  82.726  445.470  82.263  91.802  9.2559 92.766  9.1014 -0.9634552     12.98108  
1 1 1 -1  -6  19 o 44.862  7.9048 105.380  33.724  101.140  58.529  107.487  41.261  42.923  12.827 44.792  9.6199 -1.868549      16.03392  
1 1 1 -1  -5  1  o 268.843 4.9807 3577.71  132.167 0.0000   0.0000  3577.71  132.167 ?       ?      268.843 4.9807 0.000000       4.980713  
1 1 1 -1  -5  2  o 100.035 1.1863 493.939  11.714  485.859  16.559  502.031  16.572  99.205  1.6911 100.843 1.6649 -1.638008      2.373133  
1 1 1 -1  -5  3  o 115.934 1.9189 663.523  21.958  642.908  31.041  684.170  31.065  114.101 2.7562 117.708 2.6738 -3.606682      3.840088  
1 1 1 -1  -5  4  o 189.249 6.8412 1772.58  127.790 1708.76  180.690 1836.45  180.756 185.261 9.9173 192.372 9.5196 -7.111023      13.74686  
1 1 1 -1  -5  5  o 190.325 6.8931 1792.38  129.492 1801.95  184.169 1783.02  182.108 190.325 9.8373 189.329 9.7783 0.9959717      13.87035  
1 1 1 -1  -5  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -5  7  o 471.121 11.045 11037.41 513.586 11357.28 727.335 10719.32 725.311 476.166 15.475 462.414 15.891 13.75250       22.18159  
1 1 1 -1  -5  8  o 286.882 8.1574 4082.38  230.986 4021.39  325.730 4144.08  327.605 283.991 11.620 288.318 11.512 -4.327026      16.35712  
1 1 1 -1  -5  9  o 242.956 7.6057 2930.12  182.389 2894.74  257.925 2965.51  257.948 240.762 10.854 243.722 10.723 -2.959579      15.25701  
1 1 1 -1  -5  10 o 51.561  6.2529 133.769  31.171  143.423  44.133  124.158  44.033  52.970  8.7465 49.075  9.4331 3.894562       12.86410  
1 1 1 -1  -5  11 o 54.523  6.2515 149.478  33.036  140.454  46.710  158.510  46.729  52.230  9.4065 55.693  8.7924 -3.463367      12.87591  
1 1 1 -1  -5  12 o 92.243  6.1665 424.383  55.820  417.187  78.937  431.580  78.946  90.935  8.9090 92.541  8.7467 -1.605354      12.48499  
1 1 1 -1  -5  13 o 56.747  6.1579 161.806  33.938  154.743  47.970  168.885  48.021  54.889  9.1782 57.495  8.7369 -2.605713      12.67175  
1 1 1 -1  -5  14 o 73.498  7.1633 271.600  51.306  245.818  62.553  324.595  89.682  69.419  9.3686 79.284  11.821 -9.864784      15.08360  
1 1 1 -1  -5  15 f 107.971 6.3504 582.114  67.378  581.481  95.396  582.744  95.179  107.261 9.0963 107.387 9.0643 -0.1256638     12.84153  
1 1 1 -1  -5  16 o 88.789  6.2666 394.845  54.566  409.896  77.405  379.977  76.935  89.837  8.8440 86.373  9.1642 3.463287       12.73570  
1 1 1 -1  -5  17 o 90.402  6.4605 410.982  57.268  444.540  82.001  379.032  80.013  93.241  9.0228 85.830  9.6096 7.410912       13.18164  
1 1 1 -1  -5  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -5  19 o 19.775  7.0289 17.251   17.241  20.060   32.443  16.146   20.353  24.210  9.4291 20.266  7.5692 3.944233       12.09138  
1 1 1 -1  -5  20 o 76.955  6.4436 301.203  48.494  290.401  68.734  311.908  68.428  74.242  9.6049 77.190  9.1600 -2.948418      13.27252  
1 1 1 -1  -4  1  o 202.329 2.4617 2021.59  49.161  2098.38  69.531  1944.83  69.518  206.077 3.4183 198.384 3.5502 7.692383       4.928399  
1 1 1 -1  -4  2  o 94.657  1.6035 442.324  14.982  0.0000   0.0000  442.324  14.982  ?       ?      94.657  1.6035 0.000000       1.603535  
1 1 1 -1  -4  3  o 91.133  6.0306 413.288  53.939  402.433  76.286  424.141  76.276  89.511  8.7462 91.959  8.4997 -2.447922      12.19595  
1 1 1 -1  -4  4  o 217.710 7.1757 2348.54  154.198 2289.68  218.041 2407.42  218.096 214.510 10.298 220.001 10.044 -5.490295      14.38488  
1 1 1 -1  -4  5  o 146.737 6.4436 1065.23  93.326  1115.40  131.129 1013.74  132.854 149.725 8.9133 142.633 9.4908 7.091110       13.02013  
1 1 1 -1  -4  6  o 187.606 6.8417 1741.40  126.691 1729.43  179.139 1753.37  179.197 186.464 9.7673 187.763 9.7023 -1.298904      13.76713  
1 1 1 -1  -4  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -4  8  o 586.091 13.172 17142.25 761.973 17249.67 1077.61 17034.83 1077.57 584.665 18.673 580.931 18.793 3.734253       26.49261  
1 1 1 -1  -4  9  o 131.006 6.3224 849.790  81.753  855.032  115.647 844.554  115.586 130.885 9.0066 130.068 9.0598 0.8166656      12.77497  
1 1 1 -1  -4  10 o 56.116  0.8426 155.423  4.6669  197.495  47.561  155.014  4.6895  62.566  7.8762 56.042  0.8478 6.523113       7.921699  
1 1 1 -1  -4  11 o 61.566  0.6929 187.074  4.2109  208.379  6.0304  166.801  5.8825  64.975  0.9403 58.132  1.0252 6.843235       1.391120  
1 1 1 -1  -4  12 o 185.991 2.2736 1708.59  41.738  1697.79  59.042  1719.39  59.012  185.326 3.2277 186.503 3.2057 -1.177597      4.549109  
1 1 1 -1  -4  13 o 227.780 7.3962 2583.88  166.288 2595.16  235.170 2572.61  235.162 227.244 10.485 226.237 10.531 1.007217       14.86043  
1 1 1 -1  -4  14 o 136.059 1.7012 914.065  22.847  911.433  32.637  916.594  31.993  135.826 2.4344 136.214 2.3796 -0.3871307     3.404223  
1 1 1 -1  -4  15 o 91.129  1.1569 409.950  10.406  408.216  14.750  411.668  14.683  90.924  1.6436 91.308  1.6292 -0.3840332     2.314227  
1 1 1 -1  -4  16 o 190.390 2.3456 1791.12  44.079  1809.99  62.458  1772.40  62.216  191.274 3.3083 189.274 3.3303 1.999893       4.694183  
1 1 1 -1  -4  17 o 71.102  0.9437 249.563  6.6231  231.592  9.4220  267.116  9.3118  68.484  1.3939 73.552  1.2826 -5.068321      1.894212  
1 1 1 -1  -4  18 o 38.490  0.7614 73.129   2.8927  70.747   4.0994  75.491   4.0823  37.853  1.0972 39.102  1.0577 -1.249107      1.524019  
1 1 1 -1  -4  19 o 89.283  1.3807 393.765  12.167  387.244  14.905  406.789  21.064  88.520  1.7060 90.669  2.3537 -2.149612      2.906934  
1 1 1 -1  -4  20 o 44.640  1.0842 98.405   4.7771  95.058   5.7551  105.820  8.5664  43.867  1.3292 46.262  1.8760 -2.395256      2.299154  
1 1 1 -1  -3  1  o 18.659  0.1194 17.183   0.2200  17.309   0.2696  16.932   0.3804  18.728  0.1459 18.523  0.2081 0.2048664      0.2541110 
1 1 1 -1  -3  2  o 215.860 7.1344 2311.03  152.007 2379.78  214.993 2242.31  214.947 218.533 9.9672 212.064 10.269 6.468216       14.31080  
1 1 1 -1  -3  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  -3  4  o 250.409 7.5951 3113.36  187.722 3027.63  265.451 3199.13  265.507 246.145 10.926 253.104 10.628 -6.959702      15.24229  
1 1 1 -1  -3  5  o 62.851  6.0629 197.261  37.145  198.015  52.532  196.507  52.529  62.577  8.7439 62.328  8.7821 0.2492332      12.39277  
1 1 1 -1  -3  6  o 398.752 7.5057 7872.11  295.413 7402.63  569.910 8044.60  345.445 384.854 15.003 402.880 8.6870 -18.02664      17.33646  
1 1 1 -1  -3  7  o 145.292 2.3938 1042.13  34.329  985.230  48.586  1098.86  48.513  141.245 3.4850 149.173 3.2948 -7.928040      4.795914  
1 1 1 -1  -3  8  o 179.527 2.2197 1591.07  39.332  1615.23  54.901  1565.58  56.377  180.861 3.0754 178.055 3.2079 2.805664       4.443912  
1 1 1 -1  -3  9  o 457.683 5.4120 10358.77 244.488 10404.04 345.667 10313.45 345.849 458.223 7.6427 456.215 7.6804 2.008209       10.83512  
1 1 1 -1  -3  10 o 181.372 2.2304 1624.21  39.930  1549.51  56.459  1698.96  56.480  177.108 3.2297 185.460 3.0854 -8.352158      4.466578  
1 1 1 -1  -3  11 o 127.900 1.5791 807.558  19.935  793.654  28.224  821.398  28.160  126.774 2.2556 128.973 2.2121 -2.198387      3.159269  
1 1 1 -1  -3  12 o 300.755 3.9639 4474.29  117.670 4400.74  166.432 4547.80  166.388 297.918 5.6599 302.879 5.5657 -4.960052      7.937953  
1 1 1 -1  -3  13 o 301.753 3.5906 4503.06  106.942 4479.21  151.267 4526.88  151.212 300.636 5.0976 302.239 5.0688 -1.602753      7.188776  
1 1 1 -1  -3  14 o 123.138 6.3748 755.496  77.215  753.214  108.358 757.851  110.060 122.368 9.0352 122.717 9.1522 -0.3486938     12.86075  
1 1 1 -1  -3  15 o 132.873 6.4217 877.882  84.222  810.059  118.980 945.996  119.235 126.715 9.5837 137.199 8.8520 -10.48328      13.04633  
1 1 1 -1  -3  16 o 101.099 6.3933 510.615  63.469  518.819  89.957  502.483  89.561  101.292 9.0946 99.642  9.2105 1.650101       12.94392  
1 1 1 -1  -3  17 o 50.719  1.5069 127.024  7.5435  172.778  45.228  125.715  7.6507  58.168  8.0971 50.456  1.5362 7.712128       8.241579  
1 1 1 -1  -3  18 o 114.325 1.4820 645.503  16.723  672.372  23.910  619.770  23.398  116.640 2.0768 111.981 2.1169 4.658600       2.965527  
1 1 1 -1  -3  19 o 64.775  1.0273 207.167  6.5679  227.870  9.7686  190.087  8.8727  67.919  1.4572 62.034  1.4491 5.885647       2.055030  
1 1 1 -1  -3  20 o 21.752  1.5312 23.494   3.2665  21.740   4.6879  25.149   4.5540  20.832  2.3192 22.454  2.0784 -1.621813      3.114229  
1 1 1 -1  -3  21 o 13.316  2.4442 9.0560   3.0940  7.0440   3.9191  12.384   5.0407  11.741  3.2639 15.492  3.3906 -3.751351      4.706326  
1 1 1 -1  -2  1  o 299.226 8.2588 4438.76  243.922 4399.59  344.955 4477.94  344.961 297.216 11.759 299.875 11.655 -2.658691      16.55582  
1 1 1 -1  -2  2  o 131.564 6.2425 856.824  81.064  877.037  114.652 836.619  114.633 132.622 8.8086 129.482 9.0259 3.139694       12.61186  
1 1 1 -1  -2  3  o 140.998 6.3443 985.190  88.295  961.371  124.855 1009.02  124.880 138.678 9.1733 142.131 8.9474 -3.453079      12.81422  
1 1 1 -1  -2  4  o 199.154 7.0118 1968.72  137.832 1989.28  194.945 1948.17  194.902 199.623 9.8939 197.270 10.043 2.353226       14.09788  
1 1 1 -1  -2  5  o 374.620 4.4354 6939.06  164.004 7009.28  231.940 6868.85  231.934 376.164 6.2469 372.362 6.3105 3.801422       8.879548  
1 1 1 -1  -2  6  o 378.498 4.4257 7079.15  165.341 6993.45  233.833 7164.85  233.823 375.956 6.3014 380.547 6.2251 -4.591125      8.857704  
1 1 1 -1  -2  7  f 210.574 2.5659 2189.12  53.332  2154.06  75.416  2224.19  75.429  208.842 3.6586 212.217 3.6010 -3.374741      5.133464  
1 1 1 -1  -2  8  o 199.058 2.5852 1956.24  50.793  1942.57  71.835  1969.92  71.828  198.323 3.6697 199.716 3.6437 -1.392319      5.171422  
1 1 1 -1  -2  9  o 339.971 3.9989 5709.74  134.188 5668.02  189.772 5751.46  189.770 338.556 5.6789 341.044 5.6374 -2.487976      8.001944  
1 1 1 -1  -2  10 o 304.186 3.6479 4571.18  109.526 4526.82  154.889 4615.54  154.896 302.547 5.1868 305.504 5.1368 -2.956665      7.299931  
1 1 1 -1  -2  11 o 125.211 1.5599 773.923  19.278  756.891  27.225  791.053  27.302  123.809 2.2278 126.574 2.1854 -2.764427      3.120730  
1 1 1 -1  -2  12 o 192.381 3.5734 1829.63  67.855  1816.05  95.867  1843.27  96.055  191.500 5.0719 192.934 5.0440 -1.433578      7.153050  
1 1 1 -1  -2  13 o 232.542 7.4256 2691.66  170.437 2673.49  241.017 2709.83  241.052 230.745 10.582 232.334 10.512 -1.589310      14.91569  
1 1 1 -1  -2  14 o 218.217 4.5667 2358.25  98.362  2153.48  225.064 2406.59  109.359 206.508 11.082 220.362 5.0279 -13.85429      12.16941  
1 1 1 -1  -2  15 o 126.610 2.2364 791.815  27.949  783.894  28.843  913.623  113.105 125.971 2.3197 134.935 8.5362 -8.964233      8.845819  
1 1 1 -1  -2  16 o 155.400 2.0457 1192.77  31.378  1266.57  44.585  1120.34  44.168  160.077 2.8218 150.541 2.9725 9.536621       4.098587  
1 1 1 -1  -2  17 o 121.325 1.5708 726.849  18.811  726.042  26.775  727.636  26.433  121.223 2.2378 121.358 2.2067 -0.1349030     3.142771  
1 1 1 -1  -2  18 o 98.594  1.3204 479.980  12.850  469.329  18.335  490.260  18.013  97.468  1.9058 99.622  1.8319 -2.153656      2.643506  
1 1 1 -1  -2  19 o 91.223  1.2611 410.941  11.355  450.584  16.455  374.903  15.689  95.496  1.7458 87.103  1.8249 8.392876       2.525451  
1 1 1 -1  -2  20 o 65.093  1.0919 209.228  7.0154  243.274  10.434  181.136  9.4777  70.171  1.5064 60.546  1.5859 9.624981       2.187347  
1 1 1 -1  -2  21 o 51.860  1.1428 132.826  5.8499  136.932  8.3498  128.867  8.1984  52.638  1.6071 51.063  1.6266 1.574482       2.286623  
1 1 1 -1  -1  1  o 95.541  1.5790 450.559  14.890  447.389  15.155  538.999  80.050  95.204  1.6127 104.017 7.8548 -8.813057      8.018657  
1 1 1 -1  -1  2  o 165.386 1.9937 1350.26  32.546  1467.21  46.016  1233.19  46.038  172.380 2.7045 158.028 2.9516 14.35138       4.003255  
1 1 1 -1  -1  3  f 255.527 3.0844 3224.93  77.794  3212.43  110.066 3237.41  109.968 254.930 4.3742 255.921 4.3534 -0.9914246     6.171377  
1 1 1 -1  -1  4  o 153.643 1.9560 1165.50  29.663  1161.58  41.948  1169.43  41.950  153.352 2.7714 153.870 2.7622 -0.5179138     3.912792  
1 1 1 -1  -1  5  o 123.985 2.0681 759.014  25.309  764.385  26.047  668.132  107.143 124.421 2.1209 115.387 9.4916 9.033684       9.725677  
1 1 1 -1  -1  6  o 81.068  0.9421 324.367  7.5385  301.204  10.636  347.750  10.687  78.117  1.3794 83.937  1.2899 -5.819908      1.888534  
1 1 1 -1  -1  7  f 415.790 4.8714 8543.77  199.922 8866.44  282.752 8221.19  282.714 423.298 6.7675 407.562 7.0278 15.73596       9.756477  
1 1 1 -1  -1  8  o 32.637  0.4339 52.568   1.3978  47.606   1.9640  57.662   1.9898  31.058  0.6407 34.181  0.5898 -3.123392      0.8708047 
1 1 1 -1  -1  9  o 366.877 4.3325 6650.01  156.889 6587.58  221.897 6712.41  221.853 364.945 6.1601 368.395 6.1013 -3.449493      8.670209  
1 1 1 -1  -1  10 o 384.553 4.4855 7308.21  170.255 7395.16  240.806 7221.29  240.750 386.576 6.3110 381.992 6.3852 4.583710       8.977761  
1 1 1 -1  -1  11 f 72.895  6.0840 264.933  43.374  253.059  61.415  276.749  61.266  70.794  8.9919 74.162  8.5246 -3.368279      12.39044  
1 1 1 -1  -1  12 o 142.607 6.4454 1008.65  90.724  1019.20  128.375 998.120  128.230 142.705 9.1624 141.197 9.2520 1.508286       13.02114  
1 1 1 -1  -1  13 o 124.745 1.6014 768.265  19.717  758.133  28.097  778.096  27.677  123.895 2.2976 125.518 2.2340 -1.623177      3.204601  
1 1 1 -1  -1  14 o 127.799 1.6238 806.388  20.483  791.447  28.937  821.391  28.997  126.581 2.3161 128.955 2.2782 -2.374229      3.248714  
1 1 1 -1  -1  15 f 175.419 2.4988 1520.30  43.266  1573.11  53.756  1423.17  72.904  178.392 3.0529 169.535 4.3567 8.856720       5.319921  
1 1 1 -1  -1  16 o 147.074 1.8690 1068.22  27.132  1095.40  38.418  1041.17  38.325  148.887 2.6142 145.151 2.6750 3.736298       3.740271  
1 1 1 -1  -1  17 o 108.456 1.4201 580.760  15.202  618.569  21.741  544.589  21.265  111.909 1.9683 105.001 2.0518 6.908813       2.843216  
1 1 1 -1  -1  18 o 8.5793  3.4085 1.8705   4.3136  0.6327   5.5714  3.7228   6.8155  8.9717  3.7539 11.102  4.3223 -2.129968      5.724897  
1 1 1 -1  -1  19 o 166.700 2.1159 1373.51  34.815  1422.15  49.505  1325.91  48.971  169.503 2.9589 163.656 3.0316 5.847778       4.236243  
1 1 1 -1  -1  20 o 63.359  1.3454 198.279  8.4140  190.813  10.044  215.851  15.408  62.143  1.6375 66.051  2.3634 -3.908424      2.875195  
1 1 1 -1  -1  21 o 53.504  1.1812 141.382  6.2378  139.931  8.4306  143.138  9.2724  53.213  1.6051 53.812  1.7457 -0.5996132     2.371507  
1 1 1 -1  -1  22 o 56.082  1.4466 155.417  8.0074  164.268  10.741  144.346  12.014  57.632  1.8883 54.000  2.2540 3.632030       2.940411  
1 1 1 -1  0   1  o 161.335 1.9294 1284.86  30.724  1243.52  43.444  1326.22  43.456  158.699 2.7735 163.894 2.6863 -5.194839      3.861116  
1 1 1 -1  0   2  o 121.705 1.4621 731.104  17.564  734.817  24.832  727.387  24.847  122.005 2.0621 121.387 2.0738 0.6185455      2.924526  
1 1 1 -1  0   3  o 339.304 3.8972 5688.15  130.519 5357.03  184.570 6019.35  184.593 329.072 5.6825 348.867 5.3607 -19.79559      7.812005  
1 1 1 -1  0   4  o 32.026  0.1597 50.618   0.5048  49.439   36.128  50.618   0.5049  31.839  10.177 32.026  0.1597 -0.1870041     10.17824  
1 1 1 -1  0   5  o 177.940 2.1608 1563.47  37.951  1470.65  53.653  1656.42  53.690  172.524 3.1507 183.108 2.9706 -10.58420      4.330321  
1 1 1 -1  0   6  o 127.505 2.0997 802.688  26.426  811.092  27.231  666.867  109.472 128.170 2.1525 115.318 9.7080 12.85147       9.943747  
1 1 1 -1  0   7  o 136.700 1.6669 922.403  22.491  927.453  31.827  917.366  31.787  137.062 2.3526 136.314 2.3625 0.7475891      3.334103  
1 1 1 -1  0   8  o 173.689 2.1258 1489.20  36.444  1506.86  51.555  1471.57  51.524  174.694 2.9899 172.635 3.0238 2.058899       4.252412  
1 1 1 -1  0   9  o 481.129 8.9915 11476.42 426.999 11195.07 603.830 11757.84 603.905 474.053 12.905 485.931 12.591 -11.87778      18.02971  
1 1 1 -1  0   10 o 389.339 9.7147 7525.64  373.327 7491.74  527.959 7559.54  527.968 387.289 13.811 389.059 13.749 -1.769653      19.48777  
1 1 1 -1  0   11 o 36.755  0.8468 66.675   3.0719  63.482   3.8679  72.128   5.0555  35.864  1.0927 38.227  1.3399 -2.363331      1.728917  
1 1 1 -1  0   12 o 241.686 2.9391 2885.43  70.113  2884.99  99.161  2885.87  99.148  241.555 4.1590 241.592 4.1578 -0.3709412E-01 5.880926  
1 1 1 -1  0   13 o 152.746 1.9925 1152.07  30.041  1192.41  42.567  1112.06  42.401  155.357 2.7759 150.026 2.8634 5.330917       3.988076  
1 1 1 -1  0   14 o 85.351  1.1328 359.590  9.5432  346.921  13.508  372.216  13.485  83.824  1.6326 86.828  1.5734 -3.003487      2.267390  
1 1 1 -1  0   15 o 96.006  1.2851 455.015  12.178  460.888  17.395  449.369  17.055  96.610  1.8242 95.395  1.8113 1.214470       2.570707  
1 1 1 -1  0   16 o 62.662  6.1933 196.999  37.804  201.142  53.452  192.853  53.473  62.799  8.8703 61.416  9.0961 1.383083       12.70514  
1 1 1 -1  0   17 o 82.923  1.1976 339.455  9.8024  330.172  13.616  349.442  14.123  81.770  1.6871 84.122  1.7009 -2.351860      2.395682  
1 1 1 -1  0   18 o 225.882 2.7772 2522.62  61.918  2603.14  87.673  2442.50  87.459  229.262 3.8743 222.052 3.9904 7.209839       5.561825  
1 1 1 -1  0   19 f 140.939 1.8768 981.367  26.108  986.825  37.007  975.958  36.838  141.255 2.6543 140.475 2.6568 0.7802277      3.755520  
1 1 1 -1  0   20 o 29.164  3.2035 42.653   9.0696  39.689   14.629  44.503   11.559  27.708  5.5425 29.661  4.0546 -1.952539      6.867224  
1 1 1 -1  0   21 o 76.797  6.4909 299.294  48.741  292.395  69.814  305.854  68.079  74.668  9.7020 76.617  9.1855 -1.948936      13.36046  
1 1 1 -1  0   22 o 83.972  6.3934 358.000  52.593  365.094  74.856  351.085  73.908  83.575  9.2284 81.900  9.3080 1.674423       13.10730  
1 1 1 -1  1   1  o 139.347 1.6110 958.444  22.157  926.636  31.325  990.292  31.345  137.004 2.3165 141.633 2.2422 -4.629120      3.223886  
1 1 1 -1  1   2  o 146.479 2.1993 1059.22  31.798  1090.70  63.655  1048.76  36.706  148.574 4.3406 145.746 2.5516 2.828323       5.035022  
1 1 1 -1  1   3  o 260.163 3.0869 3342.62  79.269  3416.99  112.108 3268.26  112.098 262.956 4.3194 257.162 4.4163 5.794189       6.177420  
1 1 1 -1  1   4  o 231.950 2.7892 2657.04  63.858  2778.16  90.321  2535.98  90.296  237.102 3.8594 226.517 4.0386 10.58482       5.586184  
1 1 1 -1  1   5  o 281.082 3.3474 3904.20  92.869  3858.21  131.333 3950.21  131.340 279.235 4.7651 282.554 4.7094 -3.318329      6.699562  
1 1 1 -1  1   6  o 370.877 5.5850 6811.34  204.450 6681.32  486.843 6839.18  225.278 364.334 13.538 371.503 6.1436 -7.168335      14.86680  
1 1 1 -1  1   7  o 45.075  0.4754 100.272  2.1151  98.904   2.9791  101.662  3.0036  44.766  0.6742 45.386  0.6705 -0.6198006     0.9508548 
1 1 1 -1  1   8  o 249.876 7.6495 3091.82  188.665 3029.13  266.789 3154.53  266.836 246.895 10.948 251.988 10.728 -5.092941      15.32801  
1 1 1 -1  1   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  1   10 o 81.089  1.0141 324.535  8.1163  326.446  11.604  322.706  11.356  81.325  1.4456 80.858  1.4229 0.4669724      2.028427  
1 1 1 -1  1   11 o 371.834 4.3126 6832.68  158.279 6847.73  223.859 6817.63  223.822 371.992 6.0969 371.171 6.1094 0.8205566      8.631112  
1 1 1 -1  1   12 f 112.820 1.4196 628.297  15.808  636.930  22.454  619.812  22.261  113.582 2.0028 112.045 2.0129 1.536888       2.839536  
1 1 1 -1  1   13 o 232.721 2.8353 2675.63  65.128  2693.22  92.131  2658.06  92.078  233.366 3.9998 231.834 4.0239 1.531296       5.673615  
1 1 1 -1  1   14 o 83.715  1.1187 345.937  9.2439  328.889  13.137  362.654  13.009  81.618  1.6308 85.707  1.5378 -4.089073      2.241497  
1 1 1 -1  1   15 o 88.649  1.1458 387.928  10.025  386.664  14.070  389.232  14.289  88.495  1.6108 88.788  1.6304 -0.2928696     2.291942  
1 1 1 -1  1   16 o 89.459  1.2100 395.067  10.684  405.450  15.264  385.094  14.960  90.615  1.7066 88.311  1.7163 2.304276       2.420336  
1 1 1 -1  1   17 o 15.991  5.9289 9.8013   12.442  13.444   18.177  6.5898   17.068  19.048  7.1455 16.803  6.7448 2.245224       9.826064  
1 1 1 -1  1   18 o 112.644 2.2541 626.915  25.062  640.525  34.539  611.779  36.423  113.804 3.0748 111.202 3.3184 2.602272       4.523950  
1 1 1 -1  1   19 o 162.032 7.7753 1317.40  124.351 1340.04  216.065 1306.19  152.059 160.107 13.807 160.362 9.6517 -0.2543030     16.84629  
1 1 1 -1  1   20 f 167.717 3.7396 1395.41  61.906  1391.69  158.010 1396.09  67.286  164.785 9.7582 167.679 4.0655 -2.893585      10.57123  
1 1 1 -1  1   21 o 68.518  1.4121 231.919  9.5499  249.526  13.806  215.763  13.224  71.039  1.9689 66.054  2.0283 4.984459       2.826805  
1 1 1 -1  1   22 o 61.048  1.4112 184.128  8.5035  189.959  12.825  179.555  11.359  61.965  2.0969 60.257  1.9099 1.708275       2.836326  
1 1 1 -1  1   23 o 67.236  1.4846 223.428  9.8528  254.857  15.555  202.369  12.733  71.749  2.1965 63.951  2.0172 7.798115       2.982203  
1 1 1 -1  2   1  o 333.227 4.2421 5486.18  139.525 5233.91  197.309 5738.49  197.326 325.275 6.1456 340.629 5.8691 -15.35385      8.497889  
1 1 1 -1  2   2  o 266.385 3.6576 3505.15  96.170  3571.23  129.100 3422.76  144.153 268.793 4.8660 263.084 5.5513 5.708374       7.382100  
1 1 1 -1  2   3  o 334.652 3.9285 5533.16  129.764 5473.52  183.477 5592.85  183.550 332.655 5.5880 336.269 5.5301 -3.614410      7.861783  
1 1 1 -1  2   4  o 388.448 4.4976 7460.14  172.445 7644.50  243.880 7275.80  243.869 392.882 6.2890 383.257 6.4466 9.625427       9.006136  
1 1 1 -1  2   5  o 246.975 3.2817 3013.99  80.000  2870.86  122.868 3119.31  105.402 240.820 5.1691 251.148 4.2519 -10.32787      6.693155  
1 1 1 -1  2   6  o 204.885 2.4769 2073.16  50.091  2077.61  70.844  2068.70  70.835  205.032 3.5006 204.592 3.5077 0.4409180      4.955667  
1 1 1 -1  2   7  o 334.927 8.8459 5571.79  292.434 5393.73  413.507 5749.94  413.620 328.399 12.757 339.209 12.354 -10.81015      17.75830  
1 1 1 -1  2   8  o 362.215 7.3457 6496.04  262.624 6540.26  466.507 6475.52  317.760 362.180 13.050 361.366 8.9088 0.8139343      15.80067  
1 1 1 -1  2   9  o 157.572 1.9575 1225.62  30.446  1241.60  42.601  1208.93  43.527  158.580 2.7217 156.478 2.8182 2.102295       3.917889  
1 1 1 -1  2   10 o 151.186 1.8674 1128.28  27.866  1163.58  39.466  1093.19  39.353  153.517 2.6045 148.800 2.6794 4.717590       3.736684  
1 1 1 -1  2   11 o 214.940 2.6283 2281.11  55.760  2230.71  78.852  2331.52  78.863  212.500 3.7594 217.252 3.6777 -4.752808      5.259129  
1 1 1 -1  2   12 o 169.017 2.0991 1410.39  35.018  1416.57  49.525  1404.22  49.520  169.354 2.9628 168.613 2.9755 0.7407837      4.198998  
1 1 1 -1  2   13 o 98.476  1.2845 478.689  12.486  468.782  17.781  488.325  17.536  97.441  1.8488 99.453  1.7864 -2.011688      2.570843  
1 1 1 -1  2   14 o 187.841 2.4827 1742.97  46.030  1777.06  65.200  1709.10  64.993  189.584 3.4843 185.918 3.5417 3.665665       4.968297  
1 1 1 -1  2   15 o 210.491 2.5987 2189.13  53.992  2150.76  76.420  2227.37  76.292  208.513 3.7131 212.204 3.6425 -3.690292      5.201424  
1 1 1 -1  2   16 o 67.542  1.1966 225.200  7.9771  236.971  11.100  212.625  11.472  69.277  1.6232 65.619  1.7713 3.658157       2.402562  
1 1 1 -1  2   17 o 76.866  6.3088 295.780  47.443  302.646  67.403  289.039  66.790  77.202  9.0152 75.388  9.1644 1.813988       12.85537  
1 1 1 -1  2   18 o 66.916  8.9849 228.644  57.844  256.316  83.384  202.974  80.311  69.921  12.543 61.796  13.541 8.124950       18.45757  
1 1 1 -1  2   19 o 107.284 1.6070 568.409  17.017  564.285  23.810  572.715  24.330  106.859 2.2575 107.652 2.2897 -0.7931976     3.215423  
1 1 1 -1  2   20 o 29.909  2.0115 44.407   5.9037  44.365   7.8482  44.461   8.9600  29.825  2.6951 29.808  3.0903 0.1707649E-01  4.100465  
1 1 1 -1  2   21 o 97.360  1.5971 468.359  15.348  457.230  21.771  479.354  21.641  96.137  2.2943 98.442  2.2272 -2.305267      3.197568  
1 1 1 -1  2   22 o 13.313  4.0226 8.8860   5.7325  6.5811   8.5054  10.805   7.7598  13.131  4.8953 14.836  4.7138 -1.705048      6.795860  
1 1 1 -1  2   23 o 61.243  1.6542 185.420  9.9995  191.861  14.957  180.215  13.446  62.236  2.4348 60.333  2.2579 1.902950       3.320651  
1 1 1 -1  3   1  o 430.596 5.3979 9168.80  229.420 9196.41  324.446 9141.18  324.452 430.814 7.6299 429.513 7.6531 1.300690       10.80677  
1 1 1 -1  3   2  o 136.669 1.8624 922.037  25.123  914.189  35.531  929.885  35.529  136.069 2.6455 137.232 2.6230 -1.163742      3.725431  
1 1 1 -1  3   3  o 181.045 2.4449 1618.38  43.690  1601.27  61.773  1635.50  61.801  180.042 3.4761 181.958 3.4410 -1.916153      4.891221  
1 1 1 -1  3   4  o 342.185 4.0137 5787.40  135.561 5725.38  191.736 5849.40  191.689 340.082 5.7120 343.757 5.6495 -3.675140      8.033936  
1 1 1 -1  3   5  o 287.305 11.556 4137.23  327.698 4170.79  463.431 4103.67  463.438 285.769 16.500 283.371 16.642 2.398132       23.43549  
1 1 1 -1  3   6  o 164.261 6.5769 1338.43  106.633 1412.32  150.831 1264.59  150.772 168.098 9.1248 158.915 9.6580 9.183319       13.28678  
1 1 1 -1  3   7  o 282.782 3.3695 3950.43  94.047  3855.96  132.993 4044.93  133.013 279.233 4.8253 286.007 4.7118 -6.774109      6.744246  
1 1 1 -1  3   8  o 35.488  6.0623 64.044   20.473  58.735   28.909  69.384   28.997  33.778  8.6371 36.699  8.2105 -2.920547      11.91687  
1 1 1 -1  3   9  o 168.557 2.0811 1402.51  34.624  1392.31  48.979  1412.70  48.951  167.922 2.9551 169.148 2.9320 -1.225372      4.162850  
1 1 1 -1  3   10 o 117.436 1.4947 680.709  17.326  647.300  24.461  714.344  24.544  114.509 2.1643 120.295 2.0671 -5.785576      2.992836  
1 1 1 -1  3   11 f 116.908 1.4642 674.616  16.896  706.929  23.966  642.688  23.823  119.667 2.0290 114.099 2.1153 5.568130       2.931113  
1 1 1 -1  3   12 o 185.656 2.2978 1701.83  42.108  1639.79  59.543  1763.90  59.556  182.196 3.3110 188.971 3.1930 -6.775482      4.599769  
1 1 1 -1  3   13 o 142.439 1.8124 1001.68  25.481  992.467  36.102  1010.82  35.970  141.755 2.5802 143.061 2.5473 -1.306061      3.625821  
1 1 1 -1  3   14 o 163.072 2.1708 1313.29  34.940  1339.12  49.591  1287.83  49.237  164.612 3.0522 161.426 3.0902 3.185730       4.343372  
1 1 1 -1  3   15 o 124.447 2.2589 764.985  27.747  740.416  38.605  791.240  39.908  122.379 3.1960 126.509 3.1960 -4.130447      4.519834  
1 1 1 -1  3   16 o 46.942  6.5016 111.631  29.316  109.821  41.754  113.391  41.170  45.974  9.5149 46.781  9.2439 -0.8070564     13.26584  
1 1 1 -1  3   17 o 154.068 2.0061 1172.39  30.506  1161.32  43.213  1183.39  43.072  153.277 2.8563 154.730 2.8202 -1.452957      4.014012  
1 1 1 -1  3   18 o 201.740 2.7234 2011.77  54.229  1988.55  76.462  2035.26  76.922  200.410 3.8654 202.754 3.8437 -2.343750      5.451160  
1 1 1 -1  3   19 f 191.868 2.4180 1819.46  45.792  1812.51  64.622  1826.48  64.898  191.361 3.4213 192.096 3.4228 -0.7360229     4.839502  
1 1 1 -1  3   20 o 175.689 2.2889 1525.89  39.692  1499.12  56.076  1552.75  56.189  173.990 3.2653 177.084 3.2147 -3.094116      4.582188  
1 1 1 -1  3   21 o 48.865  1.5764 117.968  7.6031  119.504  10.733  116.421  10.772  49.157  2.2120 48.516  2.2495 0.6401367      3.154881  
1 1 1 -1  3   22 o 149.189 2.0663 1101.01  30.427  1076.77  42.848  1125.67  43.214  147.359 2.9459 150.678 2.9056 -3.319077      4.137780  
1 1 1 -1  3   23 o 34.668  2.1572 59.713   7.3451  68.075   10.311  51.097   10.466  36.940  2.8500 31.891  3.3763 5.048803       4.418314  
1 1 1 -1  4   1  o 184.714 2.3730 1684.64  43.264  1700.61  58.274  1665.02  64.581  185.553 3.1818 183.582 3.5640 1.971451       4.777649  
1 1 1 -1  4   2  o 168.930 2.0744 1408.88  34.588  1405.09  48.911  1412.68  48.919  168.672 2.9379 169.127 2.9304 -0.4552155     4.149507  
1 1 1 -1  4   3  o 98.467  1.6550 478.621  16.085  454.144  22.747  503.100  22.747  95.903  2.4030 100.942 2.2831 -5.039444      3.314658  
1 1 1 -1  4   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  4   5  o 249.145 7.5837 3085.10  186.496 3083.99  263.747 3086.21  263.743 248.218 10.765 248.309 10.761 -0.9088135E-01 15.22139  
1 1 1 -1  4   6  o 102.312 1.3787 516.714  13.923  495.511  19.643  538.120  19.736  100.178 1.9866 104.398 1.9153 -4.220047      2.759489  
1 1 1 -1  4   7  o 179.236 2.1546 1586.10  38.117  1594.47  53.948  1577.76  53.863  179.671 3.0420 178.726 3.0533 0.9445801      4.310057  
1 1 1 -1  4   8  o 122.307 1.5980 738.377  19.292  742.810  29.104  734.902  25.766  122.661 2.4039 122.011 2.1395 0.6498566      3.218066  
1 1 1 -1  4   9  o 369.549 6.7248 6757.69  245.294 6705.64  285.146 6905.85  481.075 367.947 7.8514 372.207 13.095 -4.260040      15.26813  
1 1 1 -1  4   10 o 380.326 5.0127 7149.55  188.175 7006.49  266.108 7292.64  266.132 376.201 7.1664 383.830 7.0247 -7.628723      10.03513  
1 1 1 -1  4   11 o 414.810 4.7941 8505.06  196.286 8394.44  277.587 8615.69  277.595 411.773 6.8298 417.181 6.7414 -5.408173      9.596526  
1 1 1 -1  4   12 o 116.871 1.4706 674.211  16.964  651.815  23.995  696.592  23.987  114.902 2.1157 118.785 2.0459 -3.882607      2.943110  
1 1 1 -1  4   13 o 197.363 2.7789 1924.03  54.134  1878.01  67.681  2005.76  90.189  194.938 3.5175 201.366 4.5377 -6.428192      5.741414  
1 1 1 -1  4   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  4   15 o 49.313  6.4086 122.842  30.455  111.625  42.890  134.250  43.253  46.351  9.6868 51.099  8.8991 -4.748234      13.15404  
1 1 1 -1  4   16 o 35.948  1.5635 63.804   5.5477  62.848   7.9076  64.731   7.7850  35.597  2.2623 36.134  2.1932 -0.5366478     3.150910  
1 1 1 -1  4   17 o 50.530  1.3865 126.059  6.9150  121.115  9.7598  131.042  9.7988  49.520  1.9968 51.510  1.9273 -1.990696      2.775180  
1 1 1 -1  4   18 o 48.616  1.6263 116.709  7.8041  113.349  11.487  119.589  10.636  47.832  2.4411 49.201  2.1901 -1.369053      3.279589  
1 1 1 -1  4   19 o 126.989 2.4467 797.035  30.668  846.584  114.445 793.202  31.833  129.389 9.0176 126.676 2.5459 2.712975       9.370072  
1 1 1 -1  4   20 o 131.367 1.8602 852.590  24.120  857.839  33.803  847.145  34.428  131.704 2.6003 130.874 2.6652 0.8303375      3.723534  
1 1 1 -1  4   21 o 29.611  2.3739 43.651   6.8800  43.234   9.4844  44.113   9.9953  29.345  3.3337 29.622  3.4852 -0.2777367     4.822858  
1 1 1 -1  4   22 o 125.061 1.8813 773.352  23.223  760.265  32.610  786.819  33.080  123.880 2.6670 126.026 2.6593 -2.146194      3.766245  
1 1 1 -1  4   23 o 70.829  1.8457 248.102  12.903  240.813  14.855  270.499  26.040  69.754  2.1577 73.745  3.5774 -3.990875      4.177739  
1 1 1 -1  4   24 o 67.784  6.4811 235.541  42.834  252.147  60.070  218.364  61.095  68.995  9.0381 63.628  10.063 5.366627       13.52569  
1 1 1 -1  5   1  o 261.401 3.8110 3377.64  98.327  3361.17  139.047 3394.11  139.065 260.551 5.4067 261.829 5.3810 -1.277679      7.628126  
1 1 1 -1  5   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  5   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  5   4  o 216.249 2.5873 2309.75  55.224  2296.74  78.090  2322.78  78.107  215.549 3.6704 216.770 3.6505 -1.220474      5.176706  
1 1 1 -1  5   5  o 83.345  0.9837 342.859  8.0926  359.485  11.472  326.389  11.418  85.337  1.3619 81.313  1.4226 4.023880       1.969441  
1 1 1 -1  5   6  o 183.115 2.1920 1655.71  39.619  1695.08  56.045  1616.37  56.014  185.232 3.0654 180.876 3.1375 4.355988       4.386385  
1 1 1 -1  5   7  o 227.545 2.7399 2556.86  61.537  2480.90  87.007  2632.88  87.047  224.067 3.9341 230.836 3.8205 -6.769302      5.483890  
1 1 1 -1  5   8  o 101.783 1.4687 511.348  14.756  511.706  20.912  510.992  20.824  101.812 2.0809 101.741 2.0736 0.7096100E-01  2.937722  
1 1 1 -1  5   9  o 290.435 3.7780 4166.50  108.304 4275.41  153.174 4057.62  153.156 294.086 5.2769 286.485 5.4162 7.601227       7.561800  
1 1 1 -1  5   10 o 168.908 3.1359 1408.87  52.281  1408.87  52.281  0.0000   0.0000  168.908 3.1359 ?       ?      0.000000       3.135896  
1 1 1 -1  5   11 o 76.688  1.1647 290.270  8.8163  277.594  12.300  303.664  12.643  74.991  1.6617 78.434  1.6331 -3.442581      2.329916  
1 1 1 -1  5   12 o 294.175 3.5035 4275.26  101.727 4341.54  143.914 4209.08  143.813 296.297 4.9209 291.733 4.9944 4.563934       7.011319  
1 1 1 -1  5   13 o 191.706 6.9355 1823.51  131.234 1850.12  185.570 1796.89  185.615 192.342 9.8072 189.510 9.9580 2.832443       13.97652  
1 1 1 -1  5   14 o 119.510 9.2877 717.809  108.698 720.511  153.693 715.105  153.750 118.616 13.360 118.144 13.423 0.4712830      18.93850  
1 1 1 -1  5   15 o 52.171  1.2538 134.365  6.4564  141.156  9.6438  128.848  8.6918  53.465  1.8274 51.083  1.7239 2.382538       2.512209  
1 1 1 -1  5   16 o 199.728 2.4836 1971.02  48.961  1999.99  69.288  1942.14  69.194  201.075 3.4911 198.140 3.5381 2.935562       4.970494  
1 1 1 -1  5   17 f 73.435  1.3382 266.237  9.6998  256.716  14.197  274.571  13.284  72.094  1.9951 74.565  1.8049 -2.470535      2.690373  
1 1 1 -1  5   18 o 145.977 1.9551 1052.54  28.170  1072.61  39.852  1032.49  39.825  147.303 2.7409 144.518 2.7919 2.785110       3.912471  
1 1 1 -1  5   19 o 110.247 1.6611 600.251  18.076  611.597  25.302  588.422  25.834  111.249 2.3042 109.115 2.3987 2.134163       3.326111  
1 1 1 -1  5   20 o 114.425 6.4890 656.342  72.986  668.247  104.100 644.833  102.357 114.545 9.2875 112.503 9.3011 2.041939       13.14414  
1 1 1 -1  5   21 f 73.098  1.5095 263.940  10.891  267.159  15.299  260.631  15.508  73.511  2.1085 72.604  2.1641 0.9070740      3.021400  
1 1 1 -1  5   22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  5   23 o 110.046 6.5223 615.510  70.528  636.116  97.898  593.275  101.695 110.418 9.0625 106.118 9.8203 4.299492       13.36294  
1 1 1 -1  5   24 o 55.080  1.7616 150.054  9.5773  151.402  13.248  148.577  13.861  55.272  2.4283 54.741  2.5655 0.5313454      3.532490  
1 1 1 -1  6   1  o 68.964  6.0012 237.556  40.443  234.871  57.212  240.237  57.178  68.122  8.7081 68.930  8.5904 -0.8082504     12.23214  
1 1 1 -1  6   2  o 89.002  6.1339 394.649  53.557  405.528  75.779  383.791  75.702  89.817  8.6550 87.305  8.9098 2.511971       12.42145  
1 1 1 -1  6   3  o 327.367 4.1812 5300.87  135.105 5214.54  191.049 5387.23  191.085 324.314 5.9683 329.664 5.8725 -5.350372      8.372938  
1 1 1 -1  6   4  o 169.214 2.0550 1413.88  34.323  1420.81  48.535  1406.94  48.545  169.583 2.8996 168.753 2.9145 0.8306274      4.111213  
1 1 1 -1  6   5  o 144.803 1.9600 1035.26  28.014  1036.27  39.594  1034.26  39.641  144.840 2.7695 144.699 2.7755 0.1407928      3.920975  
1 1 1 -1  6   6  o 28.721  0.7901 40.712   2.2397  43.446   3.2606  38.270   3.0818  29.668  1.1134 27.845  1.1213 1.823086       1.580207  
1 1 1 -1  6   7  o 200.928 2.6779 1993.53  53.110  1933.52  75.057  2053.70  75.160  197.824 3.8439 203.886 3.7348 -6.061295      5.359528  
1 1 1 -1  6   8  o 189.094 2.6983 1765.48  50.363  1765.78  67.259  1765.10  75.983  189.075 3.6040 189.016 4.0727 0.5850220E-01  5.438374  
1 1 1 -1  6   9  o 227.142 2.7590 2547.43  61.857  2514.23  87.481  2580.64  87.476  225.603 3.9286 228.566 3.8775 -2.962891      5.519834  
1 1 1 -1  6   10 o 267.694 3.4892 3539.36  92.193  3636.87  124.559 3421.22  137.102 271.274 4.6519 263.055 5.2804 8.218445       7.037231  
1 1 1 -1  6   11 o 318.085 5.1803 5002.91  162.643 4963.53  249.126 5032.16  214.714 316.414 7.9768 318.788 6.8238 -2.373993      10.49731  
1 1 1 -1  6   12 o 204.776 7.0606 2078.44  142.709 2016.79  201.745 2140.19  201.898 200.993 10.203 207.371 9.8639 -6.377289      14.19126  
1 1 1 -1  6   13 o 107.536 2.2398 571.032  23.773  590.923  30.901  542.185  37.212  109.373 2.8624 104.737 3.5996 4.635986       4.598979  
1 1 1 -1  6   14 o 138.341 1.8204 944.964  24.857  934.531  35.195  955.347  35.111  137.540 2.5925 139.066 2.5579 -1.525223      3.641962  
1 1 1 -1  6   15 o 175.592 2.3166 1523.08  40.150  1466.73  59.602  1569.90  54.325  172.207 3.5065 178.204 3.0885 -5.996704      4.672740  
1 1 1 -1  6   16 o 109.673 1.5637 593.897  16.927  592.317  24.164  595.420  23.720  109.500 2.2357 109.788 2.1889 -0.2886200     3.128844  
1 1 1 -1  6   17 o 257.186 3.2454 3271.55  82.385  3339.30  111.843 3191.19  121.815 259.605 4.3648 253.661 4.8654 5.944427       6.536298  
1 1 1 -1  6   18 o 122.818 1.6788 744.905  20.352  772.756  28.975  717.785  28.592  125.055 2.3474 120.522 2.4035 4.533661       3.359661  
1 1 1 -1  6   19 o 153.186 2.0386 1159.29  30.823  1176.72  43.588  1141.85  43.593  154.256 2.8628 151.948 2.9066 2.307556       4.079721  
1 1 1 -1  6   20 o 10.593  4.2470 2.6115   6.7581  3.5408   9.6593  1.7204   9.4588  12.585  5.0661 11.874  4.9231 0.7106609      7.064178  
1 1 1 -1  6   21 o 68.186  6.4449 235.137  42.861  232.870  60.569  237.412  60.661  66.956  9.4259 67.649  9.3332 -0.6935043     13.26489  
1 1 1 -1  6   22 o 35.939  2.8164 64.397   9.9107  53.216   14.168  75.109   13.868  32.354  4.5634 38.705  3.6741 -6.350670      5.858680  
1 1 1 -1  6   23 o 88.901  1.7168 390.784  15.064  385.691  21.319  395.864  21.289  88.235  2.4479 89.395  2.4128 -1.160912      3.437127  
1 1 1 -1  6   24 o 57.895  1.8443 165.820  10.539  177.357  15.103  154.868  14.714  59.808  2.5584 55.876  2.6680 3.931610       3.696406  
1 1 1 -1  7   1  o 83.200  1.0740 341.665  8.8202  341.826  11.629  341.448  13.534  83.216  1.4158 83.167  1.6487 0.4900360E-01  2.173191  
1 1 1 -1  7   2  o 96.217  1.4599 456.998  13.865  477.387  18.034  427.523  21.682  98.333  1.8580 93.045  2.3609 5.288033       3.004354  
1 1 1 -1  7   3  o 172.583 2.0871 1470.65  35.553  1497.76  50.285  1443.56  50.274  174.125 2.9258 170.942 2.9796 3.182907       4.175960  
1 1 1 -1  7   4  o 130.339 2.1081 838.805  27.121  794.023  38.352  883.596  38.356  126.778 3.0649 133.744 2.9055 -6.966721      4.223237  
1 1 1 -1  7   5  o 28.661  0.7982 40.542   2.2581  40.438   3.1172  40.656   3.2756  28.623  1.1034 28.700  1.1563 -0.7692909E-01 1.598278  
1 1 1 -1  7   6  o 172.481 2.0965 1468.71  35.691  1455.45  50.457  1482.00  50.492  171.669 2.9778 173.229 2.9530 -1.559647      4.193789  
1 1 1 -1  7   7  o 204.416 3.1003 2063.59  62.553  2060.24  88.460  2066.94  88.465  204.181 4.3894 204.513 4.3824 -0.3319855     6.202601  
1 1 1 -1  7   8  o 327.272 4.3812 5292.44  141.526 5369.99  190.873 5197.74  210.921 329.499 5.8689 324.078 6.5938 5.421387       8.827383  
1 1 1 -1  7   9  o 280.626 3.6969 3889.90  102.399 3930.35  144.863 3849.51  144.766 281.961 5.2052 279.041 5.2561 2.919403       7.397330  
1 1 1 -1  7   10 o 239.851 7.4711 2849.93  176.873 2880.14  250.142 2819.73  250.130 240.669 10.530 238.112 10.643 2.556519       14.97163  
1 1 1 -1  7   11 o 405.546 9.9712 8177.73  399.135 8189.63  564.408 8165.83  564.515 404.319 14.143 403.722 14.166 0.5979309      20.01764  
1 1 1 -1  7   12 o 35.854  1.7287 63.458   6.1175  63.106   9.5104  63.706   7.9898  35.643  2.7239 35.848  2.2698 -0.2053719     3.545648  
1 1 1 -1  7   13 o 277.616 3.3330 3808.65  91.329  3951.04  129.255 3666.68  129.064 282.583 4.6341 272.198 4.8038 10.38470       6.674696  
1 1 1 -1  7   14 o 139.609 1.7927 962.375  24.703  1004.80  35.141  920.928  34.733  142.620 2.4963 136.534 2.5773 6.086334       3.588038  
1 1 1 -1  7   15 o 140.940 2.0617 981.095  28.681  984.241  40.535  977.940  40.587  141.112 2.9103 140.658 2.9234 0.4533997      4.125048  
1 1 1 -1  7   16 o 75.388  1.4395 280.605  10.711  268.135  15.256  292.730  15.043  73.677  2.0978 76.986  1.9797 -3.308739      2.884420  
1 1 1 -1  7   17 o 168.195 2.2633 1397.69  37.575  1418.24  50.948  1373.18  55.638  169.351 3.0479 166.600 3.3835 2.751099       4.553887  
1 1 1 -1  7   18 o 166.082 2.4498 1363.17  40.158  1419.63  67.531  1332.28  49.950  169.285 4.0416 164.123 3.0834 5.161926       5.083503  
1 1 1 -1  7   19 o 147.036 2.8867 1069.24  41.894  1068.86  59.042  1069.63  59.454  146.855 4.0733 146.903 4.1003 -0.4875183E-01 5.779624  
1 1 1 -1  7   20 o 106.723 6.6060 571.603  69.246  570.087  97.738  573.131  98.119  105.668 9.4716 105.948 9.4830 -0.2798615     13.40294  
1 1 1 -1  7   21 o 116.031 1.7509 665.232  20.053  665.795  28.567  664.685  28.155  116.009 2.4948 115.916 2.4608 0.9290314E-01  3.504238  
1 1 1 -1  7   22 o 80.437  1.6213 319.750  12.873  316.409  17.951  323.288  18.469  79.963  2.2744 80.824  2.3151 -0.8606567     3.245397  
1 1 1 -1  7   23 o 56.065  1.7496 155.438  9.6819  145.732  13.120  167.042  14.347  54.235  2.4509 58.060  2.5035 -3.825165      3.503430  
1 1 1 -1  7   24 o 23.132  1.4812 26.557   3.3641  26.237   11.099  26.589   3.5301  22.410  5.1285 23.139  1.5547 -0.7292404     5.358947  
1 1 1 -1  8   1  o 56.163  0.7279 155.676  4.0353  148.613  5.9960  161.524  5.4557  54.873  1.1071 57.207  0.9662 -2.334587      1.469385  
1 1 1 -1  8   2  o 301.399 3.5801 4487.72  106.506 4487.87  150.615 4487.56  150.631 301.252 5.0653 301.242 5.0660 0.1043701E-01  7.163902  
1 1 1 -1  8   3  o 177.654 2.1632 1558.18  37.932  1589.35  53.651  1527.03  53.636  179.389 3.0300 175.834 3.0904 3.554855       4.328035  
1 1 1 -1  8   4  o 180.347 2.3089 1605.86  41.101  1631.51  55.397  1574.45  61.301  181.751 3.0880 178.526 3.4788 3.225159       4.651669  
1 1 1 -1  8   5  o 182.751 2.3228 1648.93  41.900  1694.29  56.491  1593.47  62.470  185.218 3.0900 179.603 3.5239 5.615219       4.686796  
1 1 1 -1  8   6  o 94.391  1.3830 439.763  12.885  426.916  18.104  452.951  18.342  92.995  1.9723 95.789  1.9400 -2.794106      2.766555  
1 1 1 -1  8   7  o 192.427 2.3382 1828.07  44.410  1834.86  62.815  1821.28  62.795  192.749 3.3017 192.034 3.3130 0.7147980      4.677293  
1 1 1 -1  8   8  o 76.833  1.1735 291.364  8.8996  302.319  12.844  281.248  12.342  78.260  1.6628 75.484  1.6566 2.776550       2.347151  
1 1 1 -1  8   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  8   10 o 462.022 10.887 10625.99 496.497 10690.27 702.224 10561.74 702.083 461.431 15.418 458.602 15.510 2.829071       21.86986  
1 1 1 -1  8   11 o 139.848 2.0075 965.520  27.711  982.877  39.146  948.086  39.232  141.078 2.8112 138.556 2.8687 2.521271       4.016503  
1 1 1 -1  8   12 o 181.506 4.5779 1629.28  82.015  1818.47  173.982 1575.23  92.996  191.145 9.2216 178.408 5.2810 12.73651       10.62672  
1 1 1 -1  8   13 o 120.333 1.7626 714.904  20.935  703.608  29.558  726.275  29.656  119.354 2.5090 121.263 2.4777 -1.908485      3.526201  
1 1 1 -1  8   14 o 142.130 2.0736 997.645  29.090  989.437  41.131  1005.86  41.148  141.494 2.9451 142.665 2.9221 -1.171036      4.148791  
1 1 1 -1  8   15 o 134.949 1.8016 899.315  23.997  954.492  34.239  846.044  33.642  138.988 2.4958 130.847 2.6049 8.140717       3.607559  
1 1 1 -1  8   16 o 104.929 1.5209 543.635  15.752  563.125  21.927  522.847  22.644  106.771 2.0806 102.874 2.2300 3.896263       3.049893  
1 1 1 -1  8   17 o 170.342 2.3254 1433.76  39.097  1432.44  52.877  1435.34  58.071  170.178 3.1480 170.311 3.4545 -0.1333313     4.673657  
1 1 1 -1  8   18 o 121.897 6.5582 742.976  78.616  825.311  112.349 663.981  110.047 127.793 8.9636 114.271 9.8531 13.52159       13.32031  
1 1 1 -1  8   19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  8   20 o 24.633  1.5180 30.082   3.6728  31.590   9.3820  29.809   3.9913  24.940  3.9423 24.510  1.6596 0.4300804      4.277379  
1 1 1 -1  8   21 o 106.873 1.7282 564.351  18.230  551.954  25.692  576.922  25.872  105.628 2.4643 107.994 2.4272 -2.366577      3.458881  
1 1 1 -1  8   22 o 30.761  4.1255 47.935   12.211  48.748   31.510  47.791   13.246  30.639  9.4649 30.638  4.5155 0.1768112E-02  10.48685  
1 1 1 -1  8   23 o 59.309  1.8097 173.981  10.594  161.924  14.774  186.744  15.200  57.149  2.6191 61.385  2.5086 -4.235405      3.626682  
1 1 1 -1  8   24 o 39.475  2.4342 77.536   9.4383  66.787   12.915  89.856   13.827  36.430  3.6405 42.366  3.3334 -5.935463      4.936131  
1 1 1 -1  9   1  o 575.921 12.960 16545.70 736.693 16583.22 1041.84 16508.18 1041.84 573.472 18.406 572.145 18.449 1.327332       26.06001  
1 1 1 -1  9   2  o 156.936 2.0158 1215.81  31.225  1174.53  46.659  1249.28  42.021  154.222 3.0652 159.066 2.6765 -4.843826      4.069235  
1 1 1 -1  9   3  o 105.715 1.4141 551.611  14.755  576.690  22.276  532.005  19.695  108.082 2.0881 103.813 1.9221 4.269562       2.838038  
1 1 1 -1  9   4  o 248.729 3.1032 3055.22  76.186  3004.34  112.861 3097.82  103.263 246.549 4.6377 250.390 4.1783 -3.841019      6.242311  
1 1 1 -1  9   5  o 268.783 3.5126 3568.38  93.189  3481.53  131.777 3655.26  131.800 265.376 5.0309 271.927 4.9106 -6.551544      7.030180  
1 1 1 -1  9   6  o 64.560  1.1245 205.714  7.1658  219.288  10.109  192.003  10.160  66.653  1.5365 62.368  1.6504 4.285164       2.254898  
1 1 1 -1  9   7  o 185.670 6.8650 1706.67  125.810 1691.74  178.111 1721.54  177.733 184.296 9.8268 185.935 9.7181 -1.639343      13.82058  
1 1 1 -1  9   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  9   9  o 205.757 2.9019 2090.63  58.934  2104.93  73.809  2065.47  97.892  206.424 3.6225 204.402 4.8521 2.021286       6.055208  
1 1 1 -1  9   10 o 102.654 1.6922 520.174  17.146  513.817  23.492  527.422  25.082  102.014 2.3331 103.353 2.4587 -1.339294      3.389476  
1 1 1 -1  9   11 f 356.355 4.3197 6277.70  151.941 6337.09  224.145 6227.21  206.670 357.687 6.3488 354.660 5.9038 3.027557       8.669619  
1 1 1 -1  9   12 o 192.879 2.3483 1837.14  44.706  1858.62  63.257  1815.70  63.191  193.945 3.3044 191.690 3.3398 2.255005       4.698258  
1 1 1 -1  9   13 o 226.693 8.5114 2562.05  190.446 2527.77  329.542 2579.24  233.361 222.306 15.108 226.881 10.421 -4.574554      18.35340  
1 1 1 -1  9   14 o 141.384 1.9445 987.169  27.136  970.305  38.502  1003.81  38.251  140.123 2.7838 142.527 2.7190 -2.403397      3.891373  
1 1 1 -1  9   15 o 26.603  1.1720 34.937   3.0775  39.850   11.754  34.575   3.1887  28.028  4.3931 26.465  1.2207 1.563452       4.559508  
1 1 1 -1  9   16 o 105.499 1.5652 549.591  16.299  536.313  23.898  561.140  22.287  104.183 2.3240 106.578 2.1186 -2.394913      3.144700  
1 1 1 -1  9   17 o 151.648 6.5764 1146.55  98.437  1210.16  139.321 1083.15  139.102 154.811 9.1584 146.233 9.6922 8.577301       13.33473  
1 1 1 -1  9   18 o 117.805 6.3822 693.904  73.934  700.841  104.670 686.995  104.448 117.621 9.0863 116.421 9.1635 1.199608       12.90463  
1 1 1 -1  9   19 o 180.237 2.4904 1605.97  44.304  1635.55  62.913  1576.88  62.401  181.735 3.5073 178.439 3.5430 3.295517       4.985337  
1 1 1 -1  9   20 o 57.172  1.3476 161.408  7.6046  172.413  10.896  150.954  10.619  59.073  1.8686 55.272  1.9465 3.800804       2.698241  
1 1 1 -1  9   21 f 89.254  1.6782 393.603  14.785  400.477  21.158  387.044  20.668  89.978  2.3824 88.457  2.3672 1.520706       3.358449  
1 1 1 -1  9   22 o 110.626 1.8005 605.028  19.660  579.236  27.675  631.308  27.935  108.141 2.5928 112.910 2.5066 -4.769623      3.606298  
1 1 1 -1  9   23 o 19.733  5.1115 20.290   10.036  19.341   10.839  25.990   26.559  19.333  5.4472 24.071  8.7043 -4.738516      10.26827  
1 1 1 -1  9   24 o 45.177  2.1382 101.083  9.5345  95.867   12.851  107.470  14.221  43.822  2.9888 46.386  3.1242 -2.564125      4.323642  
1 1 1 -1  9   25 o 33.575  9.0368 61.859   30.609  63.044   37.268  59.403   53.655  33.809  10.266 33.961  12.358 -0.1520042     16.06554  
1 1 1 -1  10  1  o 95.643  1.3237 451.500  12.496  473.714  18.960  434.440  16.616  97.960  1.9609 93.814  1.7944 4.146584       2.658010  
1 1 1 -1  10  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  10  3  o 152.208 2.2023 1143.71  33.085  1149.13  47.421  1138.57  46.183  152.542 3.1496 151.841 3.0815 0.7007751      4.406279  
1 1 1 -1  10  4  o 142.589 2.0342 1003.69  28.629  1009.36  41.571  998.577  39.484  142.969 2.9459 142.208 2.8130 0.7617950      4.073211  
1 1 1 -1  10  5  o 79.825  1.1498 314.499  9.0594  302.918  12.691  326.533  12.937  78.338  1.6413 81.334  1.6114 -2.996552      2.300121  
1 1 1 -1  10  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  10  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  10  8  o 190.106 2.3983 1784.36  45.001  1764.72  63.688  1803.95  63.595  189.015 3.4137 191.106 3.3714 -2.091125      4.797928  
1 1 1 -1  10  9  o 241.233 3.1962 2873.99  76.104  2913.17  107.693 2834.90  107.563 242.788 4.4939 239.501 4.5501 3.287643       6.395229  
1 1 1 -1  10  10 f 74.102  1.3530 271.039  9.8959  280.805  14.039  261.397  13.951  75.419  1.8860 72.766  1.9424 2.653656       2.707350  
1 1 1 -1  10  11 o 48.532  1.6021 116.274  7.6747  124.788  11.027  108.274  10.688  50.272  2.2223 46.826  2.3126 3.445477       3.207238  
1 1 1 -1  10  12 o 145.242 2.2160 1041.75  31.769  1021.22  42.659  1067.31  47.601  143.766 3.0063 146.958 3.2816 -3.192642      4.450467  
1 1 1 -1  10  13 o 89.401  1.4605 394.576  12.888  399.044  18.110  389.990  18.345  89.891  2.0411 88.864  2.0915 1.027092       2.922376  
1 1 1 -1  10  14 f 110.114 2.5275 599.123  27.470  599.123  27.470  0.0000   0.0000  110.114 2.5275 ?       ?      0.000000       2.527490  
1 1 1 -1  10  15 f 217.221 3.2823 2334.12  70.374  2334.48  99.498  2333.75  99.551  216.984 4.6457 216.950 4.6489 0.3437805E-01  6.572322  
1 1 1 -1  10  16 o 71.854  6.2017 258.953  43.553  259.334  61.320  258.565  61.871  71.309  8.9064 71.177  9.0084 0.1323853      12.66787  
1 1 1 -1  10  17 o 156.284 2.8475 1207.83  43.925  1231.31  62.515  1184.95  61.732  157.637 4.0178 154.637 4.0445 3.000153       5.700925  
1 1 1 -1  10  18 f 30.178  1.0653 44.960   3.1732  38.559   5.3204  48.494   3.9533  27.870  1.9463 31.340  1.2780 -3.469982      2.328389  
1 1 1 -1  10  19 o 245.868 3.3277 2993.08  80.758  3039.71  114.314 2946.63  114.105 247.383 4.6816 243.544 4.7467 3.839035       6.666975  
1 1 1 -1  10  20 o 97.055  1.7196 465.350  16.473  467.132  23.481  463.623  23.117  97.191  2.4477 96.827  2.4188 0.3634186      3.441183  
1 1 1 -1  10  21 o 19.784  4.2018 20.193   7.9515  19.003   11.972  21.132   10.637  19.377  5.8038 20.204  5.2764 -0.8267155     7.843762  
1 1 1 -1  10  22 o 84.766  1.6787 355.172  14.045  353.188  19.985  357.108  19.743  84.460  2.3973 84.932  2.3551 -0.4721756     3.360560  
1 1 1 -1  10  23 o 85.823  1.7310 364.290  14.664  364.699  20.581  363.869  20.897  85.780  2.4308 85.677  2.4711 0.1037521      3.466308  
1 1 1 -1  10  24 o 83.593  7.7963 364.667  63.584  404.263  110.947 345.302  77.591  83.460  13.961 79.929  10.058 3.530823       17.20678  
1 1 1 -1  10  25 o 62.029  2.0386 190.639  12.481  179.544  15.181  213.786  21.927  60.129  2.5579 65.370  3.4101 -5.240601      4.262827  
1 1 1 -1  11  1  f 436.518 5.2457 9421.87  226.016 9433.82  307.823 9407.88  332.919 436.438 7.1457 435.704 7.7413 0.7342529      10.53512  
1 1 1 -1  11  2  o 81.879  1.1633 330.897  9.4016  349.888  14.222  316.158  12.529  84.191  1.7115 80.031  1.5861 4.159660       2.333464  
1 1 1 -1  11  3  o 104.408 2.0668 538.156  21.299  544.888  21.896  419.747  91.827  105.058 2.1115 91.284  10.376 13.77374       10.58860  
1 1 1 -1  11  4  o 38.343  7.5238 75.377   27.457  73.753   40.312  76.782   37.501  37.922  10.440 38.570  9.8235 -0.6481133     14.33484  
1 1 1 -1  11  5  o 185.458 6.8573 1703.48  125.526 1763.52  177.851 1643.89  177.191 188.137 9.6095 181.569 9.9247 6.567886       13.81451  
1 1 1 -1  11  6  o 229.251 4.2944 2597.44  97.174  2576.83  137.678 2617.90  137.173 228.172 6.1132 229.991 6.0426 -1.818466      8.595579  
1 1 1 -1  11  7  o 208.152 2.8034 2139.43  57.597  2083.38  81.491  2195.38  81.420  205.350 4.0205 210.803 3.9131 -5.453705      5.610405  
1 1 1 -1  11  8  o 222.235 2.7411 2438.96  60.126  2431.19  85.081  2446.71  84.982  221.810 3.8861 222.518 3.8693 -0.7079315     5.483918  
1 1 1 -1  11  9  o 220.938 2.9698 2411.00  64.764  2452.87  91.697  2369.32  91.484  222.761 4.1704 218.929 4.2336 3.831970       5.942687  
1 1 1 -1  11  10 o 90.469  1.4926 404.022  13.328  407.685  18.998  400.472  18.704  90.868  2.1182 90.060  2.1041 0.8072433      2.985610  
1 1 1 -1  11  11 o 135.575 2.0092 907.576  26.886  886.716  38.121  928.223  37.926  133.973 2.8828 137.076 2.8031 -3.103592      4.020946  
1 1 1 -1  11  12 f 177.716 2.4721 1560.10  43.363  1553.45  61.256  1566.78  61.393  177.255 3.5012 178.014 3.4941 -0.7593689     4.946396  
1 1 1 -1  11  13 o 150.867 2.1433 1124.22  31.917  1087.28  45.257  1160.77  45.019  148.302 3.0918 153.241 2.9763 -4.939102      4.291569  
1 1 1 -1  11  14 o 57.982  2.1899 166.081  12.533  168.628  17.889  163.626  17.563  58.311  3.1195 57.439  3.1094 0.8729820      4.404494  
1 1 1 -1  11  15 o 88.418  6.3565 391.418  55.105  381.513  77.787  401.397  78.074  86.601  9.2430 88.913  9.0211 -2.311943      12.91562  
1 1 1 -1  11  16 o 74.299  1.4743 272.584  10.812  271.983  15.565  273.144  15.031  74.195  2.1254 74.356  2.0480 -0.1611786     2.951532  
1 1 1 -1  11  17 o 57.835  1.6025 165.188  9.1479  166.068  10.599  162.617  18.112  57.982  1.8520 57.234  3.2191 0.7479820      3.713869  
1 1 1 -1  11  18 o 36.839  1.5544 67.023   5.6521  83.181   12.597  62.950   6.3244  40.877  3.1463 35.653  1.8031 5.224483       3.626308  
1 1 1 -1  11  19 o 128.840 1.8611 820.121  23.667  842.432  33.613  798.183  33.330  130.513 2.6093 127.034 2.6582 3.479004       3.724813  
1 1 1 -1  11  20 o 66.528  1.6381 218.642  10.757  228.774  17.109  212.018  13.833  68.005  2.5489 65.490  2.1400 2.514954       3.328075  
1 1 1 -1  11  21 o 54.490  1.5751 146.702  8.4715  147.586  10.770  145.268  13.719  54.635  1.9972 54.172  2.5658 0.4630547      3.251451  
1 1 1 -1  11  22 o 65.453  1.8005 211.836  11.632  227.592  17.206  198.575  15.785  67.775  2.5720 63.311  2.5260 4.463417       3.605046  
1 1 1 -1  11  23 o 74.660  6.5395 286.038  47.705  309.187  67.825  263.373  67.110  76.280  9.1936 69.875  10.017 6.405197       13.59645  
1 1 1 -1  11  24 o 46.954  3.6373 110.687  16.726  124.783  46.137  108.554  17.946  47.456  10.156 46.424  3.9542 1.031582       10.89901  
1 1 1 -1  11  25 o 34.812  3.2073 60.919   10.897  59.298   15.104  62.679   15.735  34.011  4.6189 34.968  4.6761 -0.9568291     6.572698  
1 1 1 -1  12  1  o 274.633 3.2995 3726.17  89.442  3757.56  126.468 3694.76  126.511 275.645 4.6484 273.327 4.6894 2.318024       6.602820  
1 1 1 -1  12  2  o 151.267 2.2118 1129.75  33.024  1147.70  55.532  1119.93  41.076  152.403 3.6916 150.589 2.7635 1.813934       4.611426  
1 1 1 -1  12  3  o 362.971 9.3093 6551.49  333.521 6596.00  471.596 6506.95  471.745 362.834 13.168 360.336 13.264 2.497101       18.69038  
1 1 1 -1  12  4  o 112.652 6.4006 630.544  70.876  623.192  99.941  637.982  100.529 111.600 9.1535 112.935 9.0955 -1.334892      12.90408  
1 1 1 -1  12  5  o 161.963 2.0510 1295.08  32.788  1271.28  46.289  1319.05  46.451  160.438 2.9231 163.426 2.8797 -2.988129      4.103269  
1 1 1 -1  12  6  o 178.185 2.7957 1568.02  49.169  1533.64  69.556  1602.36  69.514  176.156 4.0004 180.065 3.9112 -3.909317      5.594696  
1 1 1 -1  12  7  o 216.433 2.6570 2313.34  56.760  2302.11  80.284  2324.57  80.258  215.835 3.7686 216.887 3.7491 -1.051712      5.315788  
1 1 1 -1  12  8  o 41.831  1.7497 86.386   7.2244  92.748   10.522  80.711   9.9369  43.267  2.4740 40.350  2.5075 2.917343       3.522531  
1 1 1 -1  12  9  o 90.336  1.5098 402.848  13.462  403.207  19.230  402.503  18.852  90.365  2.1560 90.287  2.1154 0.7803345E-01  3.020464  
1 1 1 -1  12  10 o 33.078  2.2913 54.294   7.4350  57.856   10.772  51.053   10.275  34.062  3.2431 31.971  3.3038 2.091381       4.629513  
1 1 1 -1  12  11 o 57.852  1.3160 165.214  7.5148  159.632  10.567  170.928  10.689  56.858  1.8829 58.836  1.8407 -1.978012      2.633096  
1 1 1 -1  12  12 o 121.584 1.8561 729.991  22.274  722.143  31.649  737.693  31.354  120.890 2.6524 122.187 2.5998 -1.297630      3.714030  
1 1 1 -1  12  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  12  14 o 182.342 6.9001 1659.03  124.187 1657.16  175.804 1660.90  175.449 180.951 9.8806 181.169 9.8484 -0.2185974     13.95051  
1 1 1 -1  12  15 o 50.383  1.6602 125.366  8.2562  100.416  43.902  126.280  8.4062  43.676  10.343 50.566  1.6842 -6.890251      10.47959  
1 1 1 -1  12  16 o 130.815 2.0275 845.464  26.179  849.448  35.573  840.756  38.667  131.063 2.7498 130.365 3.0050 0.6977692      4.073277  
1 1 1 -1  12  17 o 67.097  1.5406 222.329  10.203  214.231  14.632  229.993  14.235  65.838  2.2516 68.223  2.1139 -2.384842      3.088378  
1 1 1 -1  12  18 o 122.251 1.8765 738.362  22.643  786.661  31.658  687.774  32.400  126.129 2.5430 117.913 2.7839 8.216637       3.770494  
1 1 1 -1  12  19 o 123.550 1.9569 754.317  23.865  739.497  33.519  769.552  33.986  122.251 2.7778 124.712 2.7609 -2.461525      3.916494  
1 1 1 -1  12  20 o 71.363  1.7920 251.652  12.622  254.952  18.227  248.611  17.496  71.781  2.5726 70.888  2.5006 0.8932419      3.587671  
1 1 1 -1  12  21 o 13.126  2.0173 8.7173   2.5299  8.5907   2.5696  12.717   14.444  13.020  2.0687 17.554  6.4081 -4.533393      6.733767  
1 1 1 -1  12  22 o 74.446  6.4844 282.897  47.172  291.598  66.275  273.963  67.157  74.374  9.2262 71.812  9.7247 2.561874       13.40494  
1 1 1 -1  12  23 o 49.310  1.4355 120.203  6.9866  147.111  17.304  114.962  7.6368  54.269  3.2454 48.213  1.6048 6.055588       3.620447  
1 1 1 -1  12  24 o 22.623  1.6657 25.460   3.6933  24.829   3.8047  35.767   15.375  22.331  1.7399 25.980  6.0999 -3.648769      6.343149  
1 1 1 -1  12  25 o 61.144  2.9991 186.279  18.100  184.983  19.058  198.207  57.809  60.814  3.1861 59.580  10.197 1.233818       10.68293  
1 1 1 -1  13  1  o 117.437 6.3342 686.258  73.152  725.321  103.535 647.320  103.370 120.300 8.7800 113.502 9.3090 6.798454       12.79632  
1 1 1 -1  13  2  o 230.945 7.4113 2650.17  168.942 2643.50  238.900 2656.85  238.941 229.862 10.530 230.449 10.505 -0.5872650     14.87358  
1 1 1 -1  13  3  o 289.754 3.6015 4149.76  103.001 4164.19  139.829 4132.63  152.300 290.073 4.8838 288.892 5.3411 1.180450       7.237330  
1 1 1 -1  13  4  o 83.929  1.2755 347.702  10.566  338.429  14.839  357.240  15.049  82.794  1.8158 85.065  1.7924 -2.270363      2.551406  
1 1 1 -1  13  5  o 268.305 3.2228 3556.89  85.349  3525.97  120.686 3587.82  120.718 266.977 4.5798 269.313 4.5413 -2.336700      6.449691  
1 1 1 -1  13  6  o 181.016 2.8917 1618.67  51.667  1618.76  62.435  1618.49  92.028  180.981 3.4951 180.816 5.1564 0.1647644      6.229344  
1 1 1 -1  13  7  o 225.671 2.7852 2515.73  62.039  2540.17  87.793  2491.36  87.681  226.659 3.9242 224.467 3.9575 2.191833       5.573249  
1 1 1 -1  13  8  o 142.429 2.0480 1001.70  28.791  993.386  40.818  1009.93  40.617  141.796 2.9165 142.975 2.8781 -1.178009      4.097486  
1 1 1 -1  13  9  o 227.061 3.0478 2547.83  68.307  2590.92  96.624  2504.79  96.577  228.824 4.2781 224.978 4.3491 3.845856       6.100567  
1 1 1 -1  13  10 f 41.793  1.8316 86.247   7.5554  80.507   10.822  91.704   10.553  40.272  2.7389 43.012  2.4964 -2.740505      3.705874  
1 1 1 -1  13  11 o 135.887 2.0431 911.994  27.403  902.031  38.172  922.589  39.362  135.092 2.8628 136.619 2.9190 -1.526642      4.088480  
1 1 1 -1  13  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  13  13 o 54.665  6.5643 151.037  34.710  167.110  50.002  136.088  48.222  56.945  9.2107 51.102  9.9180 5.842255       13.53524  
1 1 1 -1  13  14 o 73.590  1.4722 267.415  10.694  270.785  15.053  263.982  15.194  74.033  2.0600 73.095  2.1060 0.9377594      2.945941  
1 1 1 -1  13  15 o 21.053  1.1995 21.954   2.4823  24.998   3.5275  18.968   3.4938  22.441  1.6031 19.510  1.8359 2.931665       2.437320  
1 1 1 -1  13  16 f 110.429 6.4278 610.971  69.758  600.240  98.819  621.631  98.488  108.566 9.3118 110.571 9.1052 -2.004181      13.02360  
1 1 1 -1  13  17 o 196.611 2.8891 1912.60  56.066  1887.60  83.537  1933.09  75.630  195.012 4.3399 197.460 3.8804 -2.448929      5.821764  
1 1 1 -1  13  18 o 45.503  1.2615 102.236  5.6659  112.535  7.9872  91.804   8.0388  47.729  1.6954 43.105  1.8894 4.624855       2.538577  
1 1 1 -1  13  19 o 58.471  1.6263 168.891  9.3858  168.636  11.759  169.338  15.580  58.410  2.0396 58.498  2.6983 -0.8776855E-01 3.382440  
1 1 1 -1  13  20 o 102.653 2.5473 521.517  25.809  531.086  35.938  511.326  37.089  103.458 3.5193 101.485 3.7026 1.972076       5.108320  
1 1 1 -1  13  21 o 88.438  6.4525 396.788  55.936  365.357  78.626  428.997  79.595  83.419  9.7322 90.848  8.9946 -7.428978      13.25205  
1 1 1 -1  13  22 o 55.331  2.6503 151.847  14.474  151.087  18.735  152.972  22.797  54.988  3.4695 55.170  4.2183 -0.1820335     5.461870  
1 1 1 -1  13  23 o 53.651  1.5421 142.354  8.1665  149.632  11.055  133.614  12.115  54.962  2.0379 51.904  2.3649 3.057999       3.121797  
1 1 1 -1  13  24 o 52.787  1.9020 138.009  9.9099  133.096  11.597  151.304  19.078  51.800  2.2683 54.920  3.5382 -3.120731      4.202882  
1 1 1 -1  13  25 o 73.553  2.1832 268.457  15.850  255.155  22.099  282.550  22.746  71.502  3.1313 75.261  3.0619 -3.758972      4.379530  
1 1 1 -1  14  1  o 129.991 2.3147 834.740  29.698  813.369  41.864  856.390  42.137  128.252 3.3071 131.605 3.2438 -3.352936      4.632412  
1 1 1 -1  14  2  o 101.353 1.4763 507.153  14.769  515.134  19.920  497.409  22.010  102.133 1.9760 100.351 2.2221 1.781311       2.973599  
1 1 1 -1  14  3  f 63.276  1.1219 197.639  7.0067  192.319  9.6743  203.510  10.162  62.413  1.5704 64.202  1.6035 -1.789623      2.244447  
1 1 1 -1  14  4  o 299.237 3.5802 4427.93  105.745 4440.21  149.519 4415.65  149.574 299.354 5.0603 298.521 5.0763 0.8327332      7.167676  
1 1 1 -1  14  5  o 227.346 3.1588 2554.73  70.883  2623.83  117.658 2515.37  88.808  230.102 5.1805 225.485 3.9903 4.617538       6.539059  
1 1 1 -1  14  6  o 168.560 2.4380 1403.51  40.563  1364.43  60.774  1434.90  54.471  166.096 3.7070 170.374 3.2391 -4.278427      4.922791  
1 1 1 -1  14  7  o 82.483  1.3461 335.864  10.959  331.737  15.896  339.604  15.130  81.961  1.9649 82.931  1.8484 -0.9691315     2.697708  
1 1 1 -1  14  8  o 106.388 1.5181 558.806  15.941  546.553  22.590  570.962  22.500  105.193 2.1756 107.519 2.1201 -2.325531      3.037822  
1 1 1 -1  14  9  o 86.954  1.4127 373.285  12.125  361.512  17.238  384.815  17.058  85.554  2.0413 88.271  1.9579 -2.717079      2.828449  
1 1 1 -1  14  10 o 129.837 3.1897 833.669  40.877  812.513  115.582 836.693  43.702  126.882 9.2937 130.053 3.4044 -3.171143      9.897621  
1 1 1 -1  14  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  14  12 o 82.368  1.4778 335.005  12.014  341.869  16.994  328.148  16.987  83.186  2.0698 81.498  2.1117 1.688217       2.956923  
1 1 1 -1  14  13 o 95.704  1.5496 452.313  14.638  455.612  20.883  449.127  20.525  96.021  2.2034 95.336  2.1812 0.6845779      3.100410  
1 1 1 -1  14  14 o 11.343  4.4013 3.9820   7.0484  5.1107   10.255  2.9714   9.7036  13.424  5.2801 12.418  5.0496 1.006241       7.306017  
1 1 1 -1  14  15 o 120.747 1.8161 720.250  21.645  736.087  30.817  704.831  30.408  122.009 2.5589 119.389 2.5804 2.620453       3.634117  
1 1 1 -1  14  16 o 83.718  1.6248 346.177  13.426  345.929  19.243  346.412  18.742  83.652  2.3305 83.714  2.2682 -0.6214142E-01 3.252101  
1 1 1 -1  14  17 o 21.237  5.2923 23.344   11.054  22.027   12.195  29.407   26.164  20.710  5.7578 25.190  8.6803 -4.479689      10.41635  
1 1 1 -1  14  18 o 78.596  1.7652 305.203  13.694  309.702  19.762  301.047  18.994  79.126  2.5303 78.017  2.4665 1.109039       3.533571  
1 1 1 -1  14  19 o 109.487 6.5041 603.826  69.973  592.379  98.335  615.568  99.589  107.282 9.3807 109.408 9.3106 -2.126015      13.21687  
1 1 1 -1  14  20 o 41.762  7.4715 90.872   29.667  103.010  41.733  78.471   42.182  43.852  9.8790 38.230  10.737 5.622025       14.59001  
1 1 1 -1  14  21 o 27.341  1.9862 37.175   5.3235  51.016   16.373  35.539   5.6294  31.430  5.4767 26.711  2.1535 4.719467       5.884888  
1 1 1 -1  14  22 o 91.852  1.9695 417.653  17.855  416.773  24.327  418.680  26.289  91.633  2.6897 91.800  2.9013 -0.1664352     3.956320  
1 1 1 -1  14  23 o 55.311  1.7235 151.414  9.4090  152.824  18.270  150.905  10.976  55.246  3.3666 55.188  2.0150 0.5712891E-01  3.923560  
1 1 1 -1  14  24 o 38.433  1.3048 73.030   4.9499  74.200   6.9745  71.843   7.0263  38.706  1.8256 38.083  1.8692 0.6229095      2.612815  
1 1 1 -1  14  25 o 67.299  1.7941 224.419  11.918  218.876  21.252  226.962  14.394  66.159  3.2545 67.619  2.1567 -1.459297      3.904211  
1 1 1 -1  15  1  o 121.457 1.6038 728.452  19.227  712.110  27.041  745.163  27.344  120.051 2.2820 122.807 2.2558 -2.756180      3.208796  
1 1 1 -1  15  2  o 71.189  1.2470 250.195  8.7619  234.158  12.529  265.548  12.258  68.856  1.8434 73.330  1.6936 -4.474457      2.503292  
1 1 1 -1  15  3  o 51.034  1.2135 128.576  6.1126  140.024  9.1316  119.281  8.2279  53.249  1.7374 49.148  1.6961 4.101486       2.428034  
1 1 1 -1  15  4  o 189.196 2.4131 1768.68  45.063  1747.86  64.669  1788.32  62.829  187.957 3.4858 190.138 3.3478 -2.181458      4.833081  
1 1 1 -1  15  5  o 153.058 2.2048 1157.30  33.309  1170.12  47.195  1144.57  47.017  153.828 3.1083 152.137 3.1310 1.690826       4.411909  
1 1 1 -1  15  6  o 206.060 4.0133 2102.47  81.625  2375.20  203.182 2049.98  89.134  217.383 9.4695 203.397 4.4398 13.98660       10.45864  
1 1 1 -1  15  7  o 113.350 1.6161 634.434  18.081  635.128  25.658  633.750  25.485  113.381 2.2927 113.258 2.2797 0.1223984      3.233197  
1 1 1 -1  15  8  o 71.699  1.3140 253.804  9.2994  262.924  13.386  245.296  12.928  72.962  1.8587 70.474  1.8586 2.488403       2.628552  
1 1 1 -1  15  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  15  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  15  11 o 153.389 2.0803 1162.49  31.496  1137.43  44.535  1187.57  44.550  151.637 2.9755 154.950 2.9129 -3.313766      4.163972  
1 1 1 -1  15  12 o 140.346 2.2868 973.513  31.678  983.549  44.812  963.487  44.787  140.967 3.2206 139.518 3.2523 1.449066       4.577116  
1 1 1 -1  15  13 o 138.610 2.0535 949.365  28.094  935.447  39.887  963.068  39.577  137.501 2.9389 139.524 2.8738 -2.022949      4.110503  
1 1 1 -1  15  14 o 77.893  1.5057 299.646  11.576  304.112  17.046  295.822  15.770  78.441  2.2016 77.371  2.0650 1.069603       3.018539  
1 1 1 -1  15  15 o 41.030  1.2477 83.126   5.0530  73.319   7.1570  92.872   7.1349  38.522  1.8823 43.361  1.6671 -4.838730      2.514421  
1 1 1 -1  15  16 o 82.344  1.5941 334.923  12.956  344.251  18.335  325.622  18.310  83.449  2.2261 81.156  2.2857 2.293022       3.190612  
1 1 1 -1  15  17 o 127.158 2.2108 799.407  27.747  790.673  39.242  808.141  39.240  126.346 3.1467 127.739 3.1122 -1.392990      4.425792  
1 1 1 -1  15  18 o 79.001  6.5329 315.329  50.485  351.017  72.749  282.177  70.116  82.529  9.0809 73.596  9.9036 8.932877       13.43672  
1 1 1 -1  15  19 o 17.025  7.2223 1.1959   21.082  45.308   46.892  -9.9785  23.601  31.737  11.552 16.052  7.1970 15.68480       13.61059  
1 1 1 -1  15  20 o 68.960  1.5635 235.010  10.642  243.221  15.335  227.383  14.780  70.105  2.2162 67.785  2.2091 2.320274       3.129171  
1 1 1 -1  15  21 o 71.205  2.1031 251.001  14.781  254.158  21.153  247.988  20.663  71.536  2.9958 70.668  2.9623 0.8688202      4.213084  
1 1 1 -1  15  22 o 21.837  1.2055 23.637   2.5884  2.7070   17.500  24.105   2.6172  15.777  6.6301 22.053  1.2069 -6.276584      6.739074  
1 1 1 -1  15  23 o 37.379  3.1782 70.180   11.614  69.101   16.461  71.249   16.390  36.729  4.6444 37.332  4.5414 -0.6031876     6.495740  
1 1 1 -1  15  24 o 63.054  1.9021 197.046  11.838  208.962  20.163  190.778  14.624  64.693  3.1577 61.967  2.3910 2.725784       3.960771  
1 1 1 -1  15  25 o 18.276  7.1065 12.378   18.406  11.049   26.264  13.660   25.801  20.143  8.2624 20.553  8.2778 -0.4104939     11.69571  
1 1 1 -1  16  1  o 127.798 1.8000 806.712  22.706  802.438  33.392  810.386  30.966  127.396 2.6556 128.043 2.4501 -0.6467438     3.613200  
1 1 1 -1  16  2  o 36.067  1.7375 64.248   6.1854  53.463   8.3548  77.329   9.2014  32.782  2.6035 39.485  2.3720 -6.702316      3.521981  
1 1 1 -1  16  3  o 16.624  1.2765 13.725   2.0785  8.4667   8.1489  14.091   2.1496  13.863  4.8405 16.843  1.3032 -2.980450      5.012836  
1 1 1 -1  16  4  o 72.589  1.3968 260.170  10.007  264.192  14.079  256.064  14.227  73.130  1.9505 71.995  2.0021 1.135582       2.795169  
1 1 1 -1  16  5  o 154.278 2.4117 1176.40  36.726  1184.06  43.161  1156.29  69.910  154.738 2.8259 152.650 4.6399 2.087311       5.432726  
1 1 1 -1  16  6  o 141.036 2.0536 982.718  28.588  1000.70  40.923  965.575  39.954  142.242 2.9148 139.725 2.8970 2.516983       4.109583  
1 1 1 -1  16  7  o 129.386 6.4467 835.122  82.330  802.401  116.206 868.099  116.659 125.733 9.4324 130.935 9.0829 -5.201462      13.09460  
1 1 1 -1  16  8  o 21.656  7.4649 21.382   19.351  31.500   28.628  12.871   26.257  26.218  9.0773 21.316  8.4281 4.901760       12.38670  
1 1 1 -1  16  9  o 90.778  1.5175 406.950  13.597  410.882  19.390  403.145  19.071  91.186  2.1544 90.324  2.1391 0.8617554      3.035976  
1 1 1 -1  16  10 o 79.977  1.4710 315.867  11.612  318.538  16.636  313.330  16.215  80.289  2.0992 79.631  2.0630 0.6573944      2.943271  
1 1 1 -1  16  11 o 96.321  1.5997 458.220  15.209  468.075  21.734  448.764  21.290  97.313  2.2627 95.285  2.2637 2.028618       3.200617  
1 1 1 -1  16  12 o 70.020  1.3094 242.093  9.0499  239.952  12.795  244.237  12.802  69.691  1.8601 70.311  1.8447 -0.6201935     2.619685  
1 1 1 -1  16  13 o 114.590 1.8262 648.733  20.655  628.573  29.343  668.533  29.080  112.729 2.6371 116.267 2.5340 -3.538132      3.657284  
1 1 1 -1  16  14 o 109.072 1.8326 587.789  19.730  595.318  28.196  580.566  27.617  109.704 2.6039 108.339 2.5827 1.365730       3.667509  
1 1 1 -1  16  15 o 69.913  1.6212 241.447  11.187  230.864  17.058  249.436  14.820  68.318  2.5297 71.037  2.1136 -2.719101      3.296448  
1 1 1 -1  16  16 o 60.187  1.8997 179.022  11.286  178.542  16.318  179.463  15.626  60.062  2.7525 60.224  2.6287 -0.1622620     3.806105  
1 1 1 -1  16  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  16  18 o 110.094 2.2426 599.556  24.369  604.839  30.641  590.464  40.200  110.506 2.8092 109.035 3.7353 1.471275       4.673763  
1 1 1 -1  16  19 o 19.901  5.3298 20.524   10.679  23.458   15.665  17.977   14.596  21.558  6.6760 19.395  6.4861 2.162664       9.307947  
1 1 1 -1  16  20 o 83.865  1.8346 347.870  15.186  336.924  21.575  358.618  21.379  82.436  2.6516 85.064  2.5463 -2.627769      3.676211  
1 1 1 -1  16  21 o 150.219 2.3568 1118.74  34.944  1144.18  49.213  1092.87  49.627  151.592 3.2891 148.112 3.3946 3.479919       4.726690  
1 1 1 -1  16  22 o 66.210  2.3039 217.518  15.056  207.742  21.425  227.055  21.163  64.419  3.3814 67.482  3.1772 -3.062675      4.639865  
1 1 1 -1  16  23 o 31.492  1.2303 49.032   3.8242  56.824   5.4200  41.307   5.3966  33.880  1.6208 28.807  1.9088 5.073505       2.504060  
1 1 1 -1  16  24 o 90.434  6.7910 429.648  60.175  413.247  83.706  447.189  86.566  85.675  10.092 89.248  9.9987 -3.572678      14.20654  
1 1 1 -1  17  1  o 34.996  1.4370 60.478   4.9637  59.388   5.7348  63.737   9.9105  34.675  1.6756 35.785  2.8289 -1.109322      3.287924  
1 1 1 -1  17  2  o 85.020  1.4064 356.940  11.802  354.259  16.412  359.811  16.984  84.677  1.9636 85.336  2.0164 -0.6583023     2.814521  
1 1 1 -1  17  3  o 90.681  1.4480 406.067  12.961  424.669  17.725  384.692  19.000  92.713  1.9369 88.228  2.1818 4.484497       2.917510  
1 1 1 -1  17  4  o 114.433 1.6526 646.766  18.666  660.919  25.309  629.886  27.640  115.641 2.2173 112.873 2.4809 2.767815       3.327360  
1 1 1 -1  17  5  f 101.510 1.5777 508.909  15.808  496.192  21.514  523.829  23.305  100.201 2.1753 102.946 2.2935 -2.744698      3.161036  
1 1 1 -1  17  6  f 51.684  6.8002 135.829  33.848  127.936  48.016  143.626  47.723  49.313  10.201 52.484  9.5645 -3.171478      13.98389  
1 1 1 -1  17  7  o 22.196  7.6205 22.681   20.156  20.474   27.415  25.277   29.736  23.289  8.7678 24.918  9.1795 -1.629183      12.69399  
1 1 1 -1  17  8  o 122.125 3.1905 738.361  38.459  969.661  113.832 708.557  40.862  138.455 8.3689 119.602 3.4613 18.85288       9.056439  
1 1 1 -1  17  9  o 57.142  1.4774 161.253  8.3327  151.639  11.829  170.724  11.740  55.390  2.1636 58.778  2.0236 -3.387756      2.962440  
1 1 1 -1  17  10 o 48.160  1.7380 114.576  8.2616  112.269  11.760  116.824  11.608  47.581  2.5130 48.607  2.4195 -1.026489      3.488488  
1 1 1 -1  17  11 o 68.407  1.5367 231.125  10.376  233.824  14.786  228.506  14.564  68.778  2.1781 67.992  2.1701 0.7862625      3.074607  
1 1 1 -1  17  12 o 168.278 2.4462 1400.42  40.631  1422.25  56.443  1376.94  58.536  169.426 3.3752 166.669 3.5583 2.757385       4.904396  
1 1 1 -1  17  13 o 33.819  2.5641 56.902   8.4954  42.299   12.231  70.517   11.809  28.846  4.4378 37.594  3.2133 -8.748405      5.479050  
1 1 1 -1  17  14 o 19.203  1.2900 18.292   2.4308  19.165   3.4845  17.463   3.3926  19.610  1.8210 18.707  1.8622 0.9035797      2.604559  
1 1 1 -1  17  15 o 106.834 7.4814 578.405  78.393  587.958  96.497  559.864  134.439 106.999 9.2272 102.082 13.687 4.917656       16.50713  
1 1 1 -1  17  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  17  17 o 33.463  4.4862 56.750   14.445  42.469   21.179  69.172   19.752  28.450  7.4528 36.764  5.6218 -8.313984      9.335379  
1 1 1 -1  17  18 o 21.915  1.6749 23.876   3.5956  29.185   16.316  23.605   3.6862  23.710  6.6841 21.785  1.7286 1.925638       6.903948  
1 1 1 -1  17  19 o 62.275  2.0998 191.928  12.907  215.912  61.088  190.807  13.205  63.503  10.083 62.088  2.1548 1.414894       10.31073  
1 1 1 -1  17  20 o 9.1717  2.9055 4.1071   2.9498  14.063   15.307  3.7231   3.0062  18.142  6.6007 8.8844  2.9426 9.257211       7.226907  
1 1 1 -1  17  21 o 70.784  2.1792 248.412  15.225  238.220  21.626  258.430  21.439  69.141  3.1689 72.047  3.0148 -2.906059      4.373882  
1 1 1 -1  17  22 o 79.000  1.8461 309.225  14.395  301.240  20.282  317.329  20.434  77.813  2.6408 79.876  2.5918 -2.062737      3.700134  
1 1 1 -1  17  23 o 30.088  8.2705 50.239   25.322  49.373   36.548  51.039   35.117  30.032  10.263 30.344  10.058 -0.3115253     14.36928  
1 1 1 -1  17  24 o 33.607  5.5835 59.581   17.871  110.201  41.793  48.254   19.770  43.552  9.9412 29.731  6.8742 13.82113       12.08645  
1 1 1 -1  18  1  o 178.720 2.3695 1579.25  41.799  1549.93  61.697  1604.13  56.828  176.854 3.5344 179.986 3.1988 -3.132095      4.767018  
1 1 1 -1  18  2  o 91.648  1.6371 414.889  14.810  424.928  18.412  396.493  24.925  92.730  2.0117 89.517  2.8210 3.213158       3.464757  
1 1 1 -1  18  3  o 17.768  1.1142 15.648   1.9442  15.606   1.9771  16.873   10.702  17.743  1.1349 18.310  5.4883 -0.5674210     5.604368  
1 1 1 -1  18  4  o 136.832 6.6135 937.195  89.321  908.803  125.360 966.473  127.300 133.405 9.5842 137.667 9.4251 -4.261520      13.44212  
1 1 1 -1  18  5  o 176.218 6.9812 1557.07  121.427 1502.88  171.520 1611.52  171.927 171.333 10.188 177.648 9.8435 -6.314392      14.16675  
1 1 1 -1  18  6  o 121.777 1.7867 732.650  21.475  703.325  30.921  759.977  29.849  119.242 2.6272 123.971 2.4394 -4.728966      3.585055  
1 1 1 -1  18  7  o 127.972 1.8659 809.173  23.569  815.211  32.069  802.081  34.755  128.385 2.5307 127.320 2.7656 1.064819       3.748698  
1 1 1 -1  18  8  o 51.496  1.5997 130.989  8.1310  127.652  11.637  134.172  11.365  50.811  2.3204 52.097  2.2102 -1.286079      3.204581  
1 1 1 -1  18  9  o 53.207  7.0009 144.435  35.875  140.596  51.682  148.005  49.837  51.524  10.518 53.083  9.8753 -1.559368      14.42764  
1 1 1 -1  18  10 o 208.110 2.6341 2142.78  54.107  2195.36  76.577  2090.36  76.461  210.395 3.6875 205.278 3.7737 5.116821       5.276184  
1 1 1 -1  18  11 o 130.156 2.1569 837.502  27.710  810.602  34.034  890.395  47.724  127.987 2.6941 133.995 3.6084 -6.008148      4.503242  
1 1 1 -1  18  12 o 121.513 1.8358 729.654  22.019  759.916  31.219  699.701  31.060  123.933 2.5521 118.910 2.6463 5.022659       3.676466  
1 1 1 -1  18  13 o 129.042 2.0390 823.178  25.970  828.786  36.539  817.452  36.920  129.376 2.8613 128.481 2.9113 0.8951111      4.082011  
1 1 1 -1  18  14 o 91.802  6.6225 425.722  59.605  438.138  84.690  413.536  83.904  92.064  9.4541 89.324  9.6710 2.740082       13.52435  
1 1 1 -1  18  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  18  16 o 83.484  1.6906 344.448  13.931  358.695  19.867  330.667  19.539  85.136  2.3643 81.737  2.4219 3.399475       3.384596  
1 1 1 -1  18  17 o 123.239 2.1056 751.374  25.613  752.007  36.465  750.758  35.984  123.136 3.0003 123.042 2.9629 0.9474945E-01  4.216680  
1 1 1 -1  18  18 o 128.564 2.1414 818.109  27.174  787.171  38.593  848.526  38.268  125.907 3.1055 130.758 2.9650 -4.850136      4.293662  
1 1 1 -1  18  19 o 78.065  1.7641 301.478  13.593  293.018  19.266  309.863  19.181  76.864  2.5394 79.055  2.4581 -2.190720      3.534274  
1 1 1 -1  18  20 o 90.433  6.6569 422.349  59.003  444.029  84.310  401.540  82.602  90.669  9.5651 85.910  9.9238 4.759613       13.78311  
1 1 1 -1  18  21 f 55.123  1.1083 150.168  6.0303  146.205  8.5256  154.135  8.5307  54.350  1.5892 55.809  1.5486 -1.458527      2.218992  
1 1 1 -1  18  22 f 91.981  6.5817 443.223  59.359  445.476  84.364  441.014  83.535  89.264  9.7330 88.868  9.6799 0.3959808      13.72698  
1 1 1 -1  18  23 o 58.476  2.4275 170.185  14.011  161.369  19.782  179.058  19.847  56.562  3.5614 59.654  3.3847 -3.091282      4.913249  
1 1 1 -1  18  24 o 24.968  1.1694 30.836   2.8820  36.851   4.1396  25.178   4.0148  27.229  1.5467 22.452  1.8275 4.776693       2.394159  
1 1 1 -1  19  1  o 80.539  1.4992 320.402  11.918  316.985  16.383  324.242  17.369  80.076  2.0728 80.981  2.1730 -0.9047470     3.003040  
1 1 1 -1  19  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  19  3  o 88.070  7.4924 393.454  64.511  373.577  112.390 403.220  78.782  83.000  14.231 88.590  9.1411 -5.590111      16.91394  
1 1 1 -1  19  4  o 80.284  1.5603 318.387  12.365  326.124  17.381  310.460  17.593  81.220  2.1681 79.240  2.2494 1.979782       3.124188  
1 1 1 -1  19  5  o 96.367  1.6844 458.797  16.021  439.570  22.729  477.782  22.587  94.271  2.4427 98.294  2.3280 -4.022156      3.374424  
1 1 1 -1  19  6  o 91.968  1.6147 417.832  14.658  408.081  20.892  427.284  20.570  90.840  2.3300 92.960  2.2419 -2.119858      3.233420  
1 1 1 -1  19  7  o 218.133 2.8590 2355.58  61.557  2272.19  83.346  2455.67  91.306  213.936 3.9470 222.333 4.1606 -8.396896      5.734963  
1 1 1 -1  19  8  o 46.048  1.2522 104.709  5.6914  113.421  8.1241  96.312   7.9757  47.912  1.7179 44.147  1.8303 3.764660       2.510243  
1 1 1 -1  19  9  o 77.736  1.5585 298.516  11.958  296.807  16.890  300.234  16.933  77.476  2.2087 77.922  2.2017 -0.4464417     3.118576  
1 1 1 -1  19  10 o 235.088 4.9187 2754.47  114.134 2609.49  128.313 3303.83  249.771 228.439 5.6907 253.629 9.9773 -25.18945      11.48608  
1 1 1 -1  19  11 o 56.819  1.2933 159.437  7.2529  151.885  10.333  166.773  10.183  55.434  1.8884 58.093  1.7760 -2.658424      2.592327  
1 1 1 -1  19  12 o 102.762 2.5330 522.628  25.692  502.149  35.604  544.879  37.111  100.586 3.5861 104.778 3.5884 -4.191902      5.073169  
1 1 1 -1  19  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  19  14 o 13.940  5.5935 4.7013   11.733  7.9287   16.598  1.4771   16.589  16.866  6.6906 15.256  6.4356 1.609814       9.283352  
1 1 1 -1  19  15 o 109.062 1.9683 588.226  21.188  578.210  30.206  597.930  29.730  108.010 2.8333 109.852 2.7419 -1.841179      3.942789  
1 1 1 -1  19  16 o 74.032  1.6666 270.924  12.178  253.536  17.359  287.777  17.090  71.548  2.4580 76.246  2.2708 -4.698189      3.346394  
1 1 1 -1  19  17 o 117.942 2.0349 688.409  23.689  676.944  33.718  699.584  33.288  116.783 2.9251 118.740 2.8403 -1.956177      4.077185  
1 1 1 -1  19  18 o 123.045 2.2051 750.066  26.780  765.718  38.197  734.934  37.557  124.084 3.1188 121.561 3.1301 2.523232       4.418651  
1 1 1 -1  19  19 o 96.988  1.9747 465.948  18.904  464.208  26.798  467.672  26.670  96.624  2.8098 96.990  2.7859 -0.3659363     3.956808  
1 1 1 -1  19  20 o 62.689  2.2975 195.123  14.216  192.291  20.033  197.997  20.178  61.953  3.2878 62.875  3.2626 -0.9220772     4.631823  
1 1 1 -1  19  21 o 35.416  8.4272 70.140   29.032  65.495   42.221  74.306   39.984  33.633  11.022 35.643  10.591 -2.010235      15.28613  
1 1 1 -1  19  22 o 35.194  0.9170 61.205   3.1854  56.661   4.4948  65.790   4.5149  33.838  1.3458 36.469  1.2543 -2.630543      1.839634  
1 1 1 -1  19  23 o 23.319  0.8555 26.869   1.9691  23.359   2.7684  30.462   2.8014  21.687  1.2992 24.818  1.1436 -3.130550      1.730865  
1 1 1 -1  20  1  o 85.956  6.4611 374.236  54.416  359.965  77.075  388.420  76.837  83.040  9.5793 86.500  9.1379 -3.460258      13.23874  
1 1 1 -1  20  2  o 125.374 3.3173 779.780  41.051  758.775  43.882  926.971  116.164 123.618 3.5964 134.353 8.8085 -10.73502      9.514374  
1 1 1 -1  20  3  o 79.733  1.5860 314.109  12.482  315.422  17.266  312.671  18.066  79.859  2.1905 79.500  2.3023 0.3580856      3.177840  
1 1 1 -1  20  4  o 116.548 1.8355 671.375  21.115  683.886  30.227  659.452  29.509  117.540 2.6054 115.423 2.5901 2.116837       3.673847  
1 1 1 -1  20  5  o 175.973 2.5644 1532.69  44.541  1483.45  65.732  1574.50  60.566  172.809 3.8537 178.150 3.4444 -5.340729      5.168585  
1 1 1 -1  20  6  o 58.540  1.5437 169.301  8.9195  161.408  14.925  173.685  11.125  57.100  2.6482 59.277  1.9014 -2.176205      3.260053  
1 1 1 -1  20  7  o 119.324 1.9769 703.904  23.283  705.942  32.527  701.762  33.344  119.398 2.7600 119.033 2.8380 0.3655472      3.958788  
1 1 1 -1  20  8  o 19.610  4.6455 19.926   8.8535  23.845   11.988  15.224   13.132  21.438  5.6027 18.086  6.1517 3.352554       8.320739  
1 1 1 -1  20  9  o 96.165  1.6976 456.997  16.114  460.461  22.740  453.502  22.836  96.466  2.3883 95.731  2.4168 0.7347717      3.397761  
1 1 1 -1  20  10 o 71.631  1.5574 253.520  11.011  268.640  17.203  243.026  14.332  73.681  2.3655 70.102  2.0712 3.578827       3.144165  
1 1 1 -1  20  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  20  12 o 84.914  9.5162 376.472  78.386  341.377  109.682 413.111  112.067 77.931  14.800 86.724  13.534 -8.792961      20.05526  
1 1 1 -1  20  13 o 138.233 2.2845 945.738  31.170  931.407  44.072  960.080  44.091  136.978 3.2597 139.083 3.2117 -2.104248      4.576116  
1 1 1 -1  20  14 o 59.566  2.1961 175.605  12.912  171.808  18.164  179.483  18.357  58.748  3.1439 60.055  3.1075 -1.307079      4.420486  
1 1 1 -1  20  15 o 71.837  1.6813 255.156  11.922  239.948  16.959  270.011  16.762  69.590  2.4690 73.840  2.2998 -4.250191      3.374203  
1 1 1 -1  20  16 o 63.688  2.1668 200.870  13.621  197.433  19.373  204.229  19.154  63.025  3.1142 64.113  3.0268 -1.088139      4.342777  
1 1 1 -1  20  17 o 40.143  2.9819 80.560   11.731  75.700   16.800  85.184   16.387  38.587  4.4952 41.058  4.0983 -2.470768      6.082994  
1 1 1 -1  20  18 o 37.542  3.2323 70.786   11.861  65.393   16.913  76.004   16.637  35.657  4.9382 38.625  4.4450 -2.968437      6.644078  
1 1 1 -1  20  19 o 83.841  4.0419 353.649  33.448  508.698  84.149  324.555  36.452  96.766  8.9105 79.954  4.6389 16.81194       10.04570  
1 1 1 -1  20  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  20  21 o 90.090  2.3586 403.997  20.973  390.168  26.323  428.039  34.707  88.294  3.0204 92.097  3.8180 -3.803406      4.868237  
1 1 1 -1  20  22 o 45.977  2.8616 106.147  12.922  109.870  18.286  102.433  18.263  46.395  4.0333 44.729  4.1854 1.665897       5.812489  
1 1 1 -1  20  23 o 19.956  5.6639 21.451   11.675  10.866   17.056  30.784   16.015  17.263  6.8032 23.628  6.6085 -6.364624      9.484487  
1 1 1 -1  21  1  o 61.146  2.7702 185.513  16.719  313.702  61.056  175.122  17.383  77.600  8.0904 59.385  2.9657 18.21431       8.616858  
1 1 1 -1  21  2  f 64.857  1.5541 207.918  9.9487  205.106  13.689  211.065  14.484  64.371  2.1545 65.290  2.2475 -0.9197998     3.113388  
1 1 1 -1  21  3  o 58.407  1.6419 168.633  9.4654  169.183  12.901  167.993  13.930  58.462  2.2357 58.241  2.4233 0.2211266      3.297074  
1 1 1 -1  21  4  o 68.682  1.5921 233.139  10.793  222.918  14.667  245.212  15.939  67.114  2.2141 70.382  2.2944 -3.268715      3.188499  
1 1 1 -1  21  5  o 45.742  2.0430 103.502  9.2241  98.773   12.592  108.977  13.550  44.543  2.8795 46.787  2.9493 -2.243881      4.121895  
1 1 1 -1  21  6  o 117.826 1.8620 686.448  21.655  688.309  30.389  684.528  30.867  117.877 2.6119 117.545 2.6604 0.3324585      3.728253  
1 1 1 -1  21  7  o 121.065 1.9961 724.921  23.853  720.956  34.472  728.564  33.039  120.589 2.8962 121.249 2.7606 -0.6599731     4.001142  
1 1 1 -1  21  8  o 80.412  1.7317 319.640  13.744  320.027  19.294  319.241  19.584  80.396  2.4314 80.292  2.4712 0.1031342      3.466756  
1 1 1 -1  21  9  o 188.905 7.2563 1813.55  135.298 1773.85  192.461 1852.35  190.240 183.519 10.671 187.955 10.294 -4.436401      14.82666  
1 1 1 -1  21  10 o 40.055  8.2177 85.019   31.400  82.422   44.334  87.632   44.479  38.919  11.034 40.076  10.939 -1.156994      15.53713  
1 1 1 -1  21  11 o 52.945  1.3505 138.497  7.0575  139.929  10.098  137.129  9.8680  53.188  1.9234 52.655  1.8987 0.5334206      2.702718  
1 1 1 -1  21  12 o 100.446 2.6671 500.205  26.443  477.821  27.509  772.276  95.907  98.143  2.8398 122.381 7.9834 -24.23870      8.473389  
1 1 1 -1  21  13 o 147.942 2.3346 1084.22  34.091  1080.56  48.114  1087.91  48.310  147.414 3.3068 147.914 3.3090 -0.4999237     4.678029  
1 1 1 -1  21  14 o 41.496  1.3833 85.101   5.6659  88.698   8.0164  81.510   8.0091  42.335  1.9184 40.579  1.9996 1.756508       2.771065  
1 1 1 -1  21  15 o 87.164  1.6272 375.794  14.000  382.757  19.798  368.830  19.799  87.873  2.2826 86.253  2.3256 1.620705       3.258660  
1 1 1 -1  21  16 o 34.792  3.3279 60.905   11.289  51.997   16.026  69.677   15.905  31.637  5.3211 36.976  4.4470 -5.339584      6.934680  
1 1 1 -1  21  17 o 9.7930  1.9101 4.9148   1.7800  5.6968   2.5265  4.1440   2.5082  10.500  2.4778 9.0475  2.6431 1.452403       3.622857  
1 1 1 -1  21  18 o 26.641  8.2745 38.510   24.045  54.851   35.016  23.929   33.077  31.254  10.022 24.270  9.5018 6.983772       13.81048  
1 1 1 -1  21  19 o 25.362  1.1638 31.807   2.9134  41.143   4.1207  22.476   4.1196  28.792  1.4547 21.187  1.9934 7.605352       2.467783  
1 1 1 -1  21  20 o 45.983  1.5110 104.741  6.8578  124.341  9.6736  84.939   9.7234  50.038  1.9586 41.224  2.4000 8.813484       3.097790  
1 1 1 -1  21  21 o 43.149  2.1164 92.605   9.0136  90.485   9.5301  110.592  27.757  42.567  2.2765 45.406  6.3687 -2.838989      6.763316  
1 1 1 -1  21  22 o 53.558  2.3047 143.030  12.183  240.365  58.826  138.668  12.453  63.926  9.6212 52.714  2.3935 11.21194       9.914460  
1 1 1 -1  22  1  o 31.170  2.3452 48.478   7.1621  51.559   9.8197  44.976   10.469  32.015  3.1482 29.781  3.6371 2.234251       4.810383  
1 1 1 -1  22  2  o 65.768  2.5307 214.723  16.428  320.897  61.605  206.594  17.045  77.964  8.1248 64.489  2.6779 13.47556       8.554736  
1 1 1 -1  22  3  o 33.013  2.3533 54.310   7.6179  57.440   10.265  50.472   11.366  33.838  3.1081 31.585  3.7169 2.253231       4.845170  
1 1 1 -1  22  4  o 29.737  2.7205 44.263   7.8968  44.918   10.603  43.447   11.834  29.788  3.6848 29.171  4.2336 0.6164093      5.612576  
1 1 1 -1  22  5  o 94.942  1.6820 445.826  15.763  425.383  21.828  468.104  22.786  92.638  2.3872 97.181  2.3755 -4.542603      3.367791  
1 1 1 -1  22  6  o 42.561  2.2054 89.961   9.2329  86.903   12.627  93.475   13.535  41.702  3.0897 43.241  3.1938 -1.538567      4.443667  
1 1 1 -1  22  7  f 58.278  1.4683 167.878  8.4458  159.139  12.907  174.422  11.169  56.675  2.3073 59.370  1.9060 -2.695744      2.992678  
1 1 1 -1  22  8  o 136.604 6.6996 951.297  90.332  924.734  127.599 977.986  127.900 131.957 9.8682 135.983 9.5907 -4.025665      13.76085  
1 1 1 -1  22  9  o 75.287  2.7751 281.341  20.623  283.322  30.075  279.584  28.332  75.200  4.0669 74.758  3.8527 0.4418411      5.602103  
1 1 1 -1  22  10 f 42.969  1.3135 91.239   5.5710  87.748   7.9407  94.623   7.8179  42.107  1.9106 43.732  1.8112 -1.624622      2.632599  
1 1 1 -1  22  11 o 48.934  2.4815 119.060  11.946  125.393  17.542  113.583  16.314  50.026  3.5762 47.616  3.4956 2.409836       5.000777  
1 1 1 -1  22  12 o 92.256  1.8254 421.235  16.622  441.824  23.544  400.773  23.471  94.361  2.5279 89.847  2.6466 4.513947       3.659884  
1 1 1 -1  22  13 f 102.930 2.7092 526.393  27.524  517.851  28.094  730.797  137.429 102.071 2.7885 113.434 12.481 -11.36317      12.78860  
1 1 1 -1  22  14 o 27.957  4.1525 40.047   11.110  34.578   16.186  44.920   15.278  25.461  6.4369 29.291  5.4861 -3.829464      8.457620  
1 1 1 -1  22  15 o 50.470  2.4966 126.586  12.437  130.698  17.844  122.701  17.344  50.981  3.5686 49.385  3.5825 1.595558       5.056628  
1 1 1 -1  22  16 o 49.177  1.4485 119.668  7.0309  128.339  9.9458  111.007  9.9406  50.869  1.9809 47.292  2.1296 3.577644       2.908417  
1 1 1 -1  22  17 o 18.785  7.8123 7.6623   23.921  -8.5035  41.767  15.553   29.181  21.219  9.5392 21.701  8.7810 -0.4822426     12.96548  
1 1 1 -1  22  18 o 70.968  2.3880 250.828  16.727  232.122  23.807  269.067  23.508  67.805  3.5697 73.221  3.2527 -5.415359      4.829395  
1 1 1 -1  22  19 o 43.685  2.9774 96.065   12.762  100.947  18.137  91.278   17.960  44.370  4.1910 42.098  4.3866 2.272102       6.066862  
1 1 1 -1  22  20 o 16.539  5.6023 13.588   10.890  9.7482   15.337  17.492   15.467  16.445  6.4606 18.871  6.6627 -2.426014      9.280711  
1 1 1 -1  22  21 o 19.712  5.5435 20.999   11.237  18.420   15.748  23.674   16.040  19.153  6.7266 20.982  6.7889 -1.829456      9.557003  
1 1 1 -1  23  1  o 25.331  2.9608 32.438   7.2632  38.475   10.400  26.690   10.148  27.385  3.9627 22.545  4.7122 4.839998       6.156917  
1 1 1 -1  23  2  o 18.529  3.7149 17.822   6.5576  26.002   10.514  12.614   8.3894  22.211  4.9249 15.759  4.8864 6.451839       6.937713  
1 1 1 -1  23  3  o 31.686  5.1341 52.274   15.508  0.0000   0.0000  52.274   15.508  ?       ?      31.686  5.1341 0.000000       5.134130  
1 1 1 -1  23  4  o 114.435 2.1192 649.583  23.936  641.723  28.852  666.939  42.874  113.603 2.5731 115.321 3.7666 -1.718048      4.561551  
1 1 1 -1  23  5  o 57.245  1.7924 162.292  10.128  165.486  13.497  158.177  15.321  57.730  2.3687 56.381  2.7532 1.349598       3.631895  
1 1 1 -1  23  6  o 90.905  6.7360 429.303  60.010  419.910  84.051  439.069  85.706  87.439  9.9140 89.467  9.8698 -2.027565      13.98931  
1 1 1 -1  23  7  o 131.704 6.8342 899.406  88.537  890.791  124.246 908.294  126.198 127.724 9.9336 128.898 9.9973 -1.174698      14.09334  
1 1 1 -1  23  8  o 124.689 2.0964 770.753  25.801  773.684  36.441  767.807  36.535  124.647 2.9619 124.165 2.9811 0.4815979      4.202333  
1 1 1 -1  23  9  o 48.175  2.7390 115.793  12.970  116.086  18.618  115.518  18.080  47.953  3.9692 47.864  3.8598 0.8891296E-01  5.536493  
1 1 1 -1  23  10 o 67.145  2.1666 223.613  14.359  215.301  20.543  231.554  20.079  65.700  3.1678 68.175  2.9838 -2.475410      4.351793  
1 1 1 -1  23  11 o 29.384  3.7925 43.969   10.743  45.543   15.712  42.588   14.722  29.422  5.6151 28.479  5.4354 0.9431038      7.814933  
1 1 1 -1  23  12 o 66.488  2.1128 219.305  13.866  220.282  20.131  218.423  19.125  66.445  3.0696 66.196  2.9271 0.2483597      4.241507  
1 1 1 -1  23  13 o 36.303  1.4012 65.202   5.0208  74.738   7.1498  55.925   7.0521  38.831  1.8655 33.499  2.1440 5.331493       2.841986  
1 1 1 -1  23  14 o 58.963  1.4159 172.046  8.2403  186.009  10.092  144.123  14.272  61.276  1.6687 53.708  2.7009 7.568554       3.174812  
1 1 1 -1  23  15 o 22.199  8.1148 23.485   23.174  26.329   31.542  20.149   34.160  24.258  9.3391 23.539  9.5092 0.7189217      13.32830  
1 1 1 -1  23  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  23  17 o 83.449  1.5516 345.142  12.780  348.490  18.070  341.792  18.076  83.677  2.1879 82.862  2.2101 0.8150864      3.109919  
1 1 1 -1  23  18 o 31.036  4.0101 49.718   11.997  45.310   17.217  53.878   16.727  28.774  6.2417 31.743  5.5402 -2.968851      8.345787  
1 1 1 -1  23  19 o 25.975  5.6335 36.611   14.027  36.980   17.814  36.008   22.757  25.705  6.8836 25.263  8.0773 0.4429474      10.61257  
1 1 1 -1  23  20 o 35.457  3.6479 64.476   12.585  64.419   17.636  64.536   17.963  34.740  5.3120 34.722  5.4183 0.1803207E-01  7.587838  
1 1 1 -1  23  21 o 18.174  7.3905 11.524   20.787  14.066   30.220  9.2409   28.638  20.779  8.7214 19.619  8.3729 1.159479       12.09000  
1 1 1 -1  24  1  o 88.486  1.7682 388.260  15.443  398.827  22.156  378.276  21.537  89.467  2.5089 87.133  2.5042 2.333939       3.544790  
1 1 1 -1  24  2  o 60.680  1.5025 182.324  8.9992  185.412  11.462  177.360  14.530  61.131  1.8997 59.680  2.4666 1.450779       3.113338  
1 1 1 -1  24  3  o 24.070  1.5518 28.812   3.6670  34.637   11.506  28.153   3.8688  25.711  4.7073 23.779  1.6587 1.932108       4.990955  
1 1 1 -1  24  4  o 100.730 9.8932 575.417  97.093  0.0000   0.0000  575.417  97.093  ?       ?      100.730 9.8932 0.000000       9.893209  
1 1 1 -1  24  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  24  6  o 48.117  1.3828 114.578  6.5674  108.305  9.2383  120.987  9.3378  46.711  2.0037 49.382  1.9158 -2.671162      2.772188  
1 1 1 -1  24  7  o 54.893  2.4770 150.014  13.421  154.625  19.667  145.994  18.360  55.346  3.6200 53.820  3.4747 1.525688       5.017749  
1 1 1 -1  24  8  o 33.201  1.0788 54.493   3.5352  53.078   6.0313  55.233   4.3634  32.659  1.8789 33.412  1.3231 -0.7530632     2.298012  
1 1 1 -1  24  9  o 63.859  2.5541 203.155  16.099  207.622  27.404  200.801  19.894  63.846  4.3750 63.244  3.1973 0.6022835      5.418799  
1 1 1 -1  24  10 o 14.975  5.5105 9.5301   10.711  0.4876   15.504  17.788   14.816  14.273  6.1278 19.006  6.5330 -4.732227      8.957091  
1 1 1 -1  24  11 o 49.645  2.5636 123.167  12.519  136.195  19.411  113.888  16.381  51.827  3.8214 47.469  3.5214 4.358856       5.196437  
1 1 1 -1  24  12 o 48.273  2.7890 116.800  13.232  126.843  19.671  108.501  17.883  49.907  4.0276 46.158  3.9637 3.749466       5.650915  
1 1 1 -1  24  13 o 72.848  3.3929 266.948  24.396  282.695  34.917  251.930  34.100  74.132  4.7977 69.858  4.9780 4.274162       6.913659  
1 1 1 -1  24  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 -1  24  15 o 70.582  1.6686 247.149  11.625  266.455  16.753  229.221  16.143  73.109  2.3216 67.782  2.4129 5.327507       3.348425  
1 1 1 -1  24  16 o 32.910  1.2100 53.605   3.9306  70.615   5.6284  37.413   5.4914  37.741  1.5109 27.345  2.0495 10.39626       2.546224  
1 1 1 -1  24  17 o 29.399  4.2267 45.030   11.912  49.714   17.311  40.817   16.418  30.179  6.0225 27.196  6.2476 2.982618       8.677746  
1 1 1 -1  24  18 o 71.243  1.6738 252.050  11.770  260.719  16.787  243.667  16.508  72.238  2.3544 69.821  2.3954 2.417351       3.358696  
1 1 1 -1  24  19 o 4.8169  1.9623 0.4389   1.4688  5.1341   2.0831  -4.2040  2.0714  9.9525  2.1807 3.5234  1.7298 6.429183       2.783525  
1 1 1 -1  25  3  f 102.953 6.7862 568.704  68.574  541.556  96.877  595.964  97.079  95.457  10.453 101.090 9.8547 -5.632767      14.36591  
1 1 1 -1  25  4  o 54.817  1.6537 149.014  8.9477  145.995  16.622  150.246  10.617  53.836  3.1418 54.991  1.9561 -1.154968      3.700975  
1 1 1 -1  25  5  o 51.521  2.1404 132.046  10.885  190.872  53.394  129.495  11.118  57.137  9.8217 51.008  2.2083 6.129265       10.06691  
1 1 1 -1  25  6  o 21.550  1.5918 23.144   3.3619  23.203   3.4431  21.953   15.576  21.573  1.6290 20.473  6.6941 1.099876       6.889470  
1 1 1 -1  25  7  o 45.554  2.8352 104.240  12.685  96.396   18.334  111.443  17.569  43.287  4.3499 46.773  3.8394 -3.486607      5.801958  
1 1 1 -1  25  8  o 28.305  1.5495 39.827   4.3126  40.629   4.4859  30.042   15.667  28.583  1.5964 23.417  6.5315 5.166849       6.723808  
1 1 1 -1  25  9  o 20.095  0.9447 19.962   1.8739  29.442   3.1861  14.949   2.3170  24.350  1.3307 17.321  1.3664 7.028320       1.907278  
1 1 1 -1  25  10 o 65.248  2.3966 212.348  15.435  226.814  21.576  197.185  22.090  67.134  3.2560 62.365  3.6039 4.769623       4.856920  
1 1 1 -1  25  11 f 34.069  3.8644 59.596   12.765  73.217   17.262  43.160   18.962  37.447  4.7792 27.811  6.9322 9.635965       8.419988  
1 1 1 -1  25  12 o 25.183  9.9075 30.427   36.116  30.427   36.116  0.0000   0.0000  25.183  9.9075 ?       ?      0.000000       9.907466  
1 1 1 -1  25  13 o 28.377  7.4647 45.806   21.189  43.693   23.206  56.399   51.959  27.558  8.0362 30.755  11.945 -3.196753      14.39702  
1 1 1 -1  25  14 o 31.128  0.8945 47.899   2.7482  51.314   3.9116  44.570   3.8620  32.194  1.2310 29.998  1.3043 2.195940       1.793472  
1 1 1 -1  25  15 o 14.950  5.6933 9.0805   11.641  19.455   16.644  -0.8554  16.288  19.562  6.9112 14.107  6.1668 5.455011       9.262515  
1 1 1 -1  25  16 o 11.943  1.2503 7.1412   1.4519  9.7948   2.1243  4.8148   1.9890  13.961  1.5687 9.6394  2.1457 4.321904       2.658038  
1 1 1 -1  25  17 o 27.842  5.1291 41.833   13.576  29.434   24.106  47.592   16.429  23.105  8.3007 29.386  5.8697 -6.281528      10.16637  
1 1 1 -1  25  18 o 14.453  6.3728 -1.1621  17.737  -11.4015 23.052  13.697   27.770  14.734  6.7988 20.023  8.3797 -5.289334      10.79091  
1 1 1 -1  26  6  o 13.445  6.0679 -6.1024  17.091  -2.1211  22.464  -11.5741 26.335  16.142  7.1420 16.025  7.3477 0.1166897      10.24679  
1 1 1 -1  26  7  o 52.659  2.5407 138.784  13.205  137.010  17.664  141.032  19.883  51.905  3.4678 52.478  3.8658 -0.5737228     5.193286  
1 1 1 -1  26  8  f 46.726  2.8283 110.011  12.983  107.318  17.946  112.968  18.804  45.674  4.0219 46.827  4.1099 -1.153713      5.750427  
1 1 1 -1  26  9  o 67.502  1.6152 226.168  10.762  232.986  15.104  219.138  15.337  68.332  2.2394 66.235  2.3460 2.097191       3.243280  
1 1 1 -1  26  10 o 33.713  11.057 74.128   42.483  0.0000   0.0000  74.128   42.483  ?       ?      33.713  11.057 0.000000       11.05688  
1 1 1 -1  26  11 o 62.532  11.330 251.941  67.353  0.0000   0.0000  251.941  67.353  ?       ?      62.532  11.330 0.000000       11.32959  
1 1 1 -1  26  12 o 70.351  2.5182 247.940  17.486  250.757  25.068  245.271  24.402  70.101  3.6354 69.365  3.5763 0.7363358      5.099665  
1 1 1 -1  26  13 o 44.400  1.0007 97.533   4.3853  102.785  6.1907  92.244   6.2130  45.530  1.3776 43.119  1.4598 2.410191       2.007162  
1 1 1 -1  26  14 o 25.451  1.0977 32.069   2.7577  31.540   3.9877  32.554   3.8178  25.144  1.6153 25.562  1.5200 -0.4181538     2.218024  
1 1 1 -1  26  15 o 11.690  1.5972 6.9146   1.7946  11.937   2.5119  1.6779   2.5650  15.403  1.6794 6.9590  2.6671 8.444071       3.151767  
1 1 1 0   -23 1  o 74.292  6.7850 290.263  49.205  297.158  70.228  283.614  68.962  72.638  10.066 70.875  10.147 1.762550       14.29291  
1 1 1 0   -23 2  o 58.808  7.0058 184.061  39.865  191.753  56.310  176.333  56.446  57.812  10.243 54.974  10.788 2.837749       14.87612  
1 1 1 0   -22 1  o 74.961  1.7835 278.262  13.196  265.880  15.553  310.082  24.933  73.218  2.1521 78.834  3.2042 -5.616257      3.859854  
1 1 1 0   -22 2  o 100.277 1.6569 497.751  16.399  475.121  22.945  521.384  23.448  97.817  2.3765 102.484 2.3180 -4.666885      3.319780  
1 1 1 0   -22 3  o 20.608  3.4154 21.782   6.7042  19.307   9.3934  24.353   9.5714  19.155  4.9371 21.556  4.6362 -2.400574      6.772675  
1 1 1 0   -21 1  o 26.930  2.7293 36.373   7.1543  31.130   9.6334  42.820   10.683  24.627  4.1077 29.041  3.8196 -4.413919      5.609194  
1 1 1 0   -21 2  o 13.279  4.3370 8.5421   6.5387  6.2482   8.6632  11.579   9.9675  13.008  4.9214 15.699  5.3594 -2.690659      7.276279  
1 1 1 0   -21 3  o 51.792  1.6301 132.724  8.3333  125.484  11.214  141.653  12.454  50.300  2.2587 53.431  2.3614 -3.130352      3.267691  
1 1 1 0   -21 4  o 28.104  2.4323 39.499   6.6806  43.271   8.6666  33.975   10.487  29.323  3.0385 25.676  4.2894 3.647005       5.256535  
1 1 1 0   -21 5  o 42.492  1.8351 89.429   7.6968  86.223   9.6264  95.110   12.815  41.610  2.3535 43.590  2.9967 -1.980289      3.810448  
1 1 1 0   -20 1  o 38.404  1.6527 72.905   6.2649  81.105   9.0416  65.333   8.6888  40.414  2.2759 36.240  2.4433 4.174294       3.339088  
1 1 1 0   -20 2  o 50.303  1.6035 125.095  7.9615  122.825  10.895  127.695  11.662  49.806  2.2163 50.776  2.3270 -0.9694672     3.213538  
1 1 1 0   -20 3  o 103.965 1.6234 534.506  16.659  528.907  23.692  539.981  23.430  103.311 2.3234 104.396 2.2738 -1.084946      3.250922  
1 1 1 0   -20 4  o 51.270  1.5285 129.984  7.7350  126.195  10.041  135.516  12.132  50.481  2.0151 52.279  2.3510 -1.798668      3.096454  
1 1 1 0   -20 5  o 40.782  7.3094 88.219   28.342  105.615  40.277  71.156   39.889  43.774  9.5874 35.759  10.567 8.015034       14.26833  
1 1 1 0   -20 6  o 59.414  6.8154 183.853  39.245  191.389  55.944  176.551  55.068  58.985  9.9641 56.432  10.265 2.552364       14.30539  
1 1 1 0   -19 1  o 94.928  1.4726 445.135  13.798  444.235  19.357  446.064  19.674  94.790  2.0689 94.982  2.0986 -0.1924515     2.946919  
1 1 1 0   -19 2  o 59.750  1.3348 176.339  7.8723  176.462  10.726  176.196  11.591  59.750  1.8187 59.696  1.9671 0.5303192E-01  2.679013  
1 1 1 0   -19 3  o 55.398  1.4480 151.631  7.9179  145.283  10.527  159.899  12.014  54.200  1.9678 56.850  2.1411 -2.650036      2.908059  
1 1 1 0   -19 4  f 94.324  1.4559 439.676  13.555  424.096  19.126  455.399  19.213  92.572  2.0932 95.935  2.0290 -3.363617      2.915193  
1 1 1 0   -19 5  o 69.144  6.5607 245.362  44.239  225.466  62.561  265.262  62.566  64.589  10.148 70.677  9.1857 -6.087921      13.68775  
1 1 1 0   -19 6  o 124.075 2.0280 762.268  24.836  736.711  30.775  809.996  42.056  121.858 2.5586 127.539 3.3408 -5.681496      4.208019  
1 1 1 0   -19 7  o 91.909  1.4309 417.610  12.981  396.505  17.627  442.614  19.187  89.484  1.9958 94.534  2.0563 -5.050201      2.865537  
1 1 1 0   -19 8  o 43.300  1.3757 92.691   5.8794  93.497   7.5574  91.455   9.3577  43.463  1.7616 42.894  2.2178 0.5696869      2.832334  
1 1 1 0   -18 1  o 172.353 3.3161 1471.45  56.414  0.0000   0.0000  1471.45  56.414  ?       ?      172.353 3.3161 0.000000       3.316136  
1 1 1 0   -18 2  o 70.795  1.2905 247.496  9.0176  246.188  13.194  248.643  12.353  70.583  1.8939 70.940  1.7642 -0.3569946     2.588245  
1 1 1 0   -18 3  o 88.539  1.9526 387.460  17.064  364.693  23.170  414.443  25.225  85.836  2.7348 91.498  2.7931 -5.661827      3.909012  
1 1 1 0   -18 4  o 66.489  9.5644 231.249  60.961  231.249  60.961  0.0000   0.0000  66.489  9.5644 ?       ?      0.000000       9.564374  
1 1 1 0   -18 5  o 39.180  1.5870 75.860   6.1372  70.005   7.8533  85.045   9.8364  37.558  2.1272 41.377  2.4190 -3.819256      3.221285  
1 1 1 0   -18 6  o 35.045  1.5730 60.706   5.4409  59.954   8.9931  61.141   6.8335  34.677  2.6475 35.098  1.9806 -0.4210167     3.306346  
1 1 1 0   -18 7  o 136.006 1.8876 915.254  25.340  888.077  35.561  943.290  36.118  133.793 2.6928 137.900 2.6536 -4.106750      3.780595  
1 1 1 0   -18 8  o 60.365  1.1908 180.032  7.0949  177.964  9.6016  182.520  10.530  59.990  1.6216 60.742  1.7563 -0.7524986     2.390420  
1 1 1 0   -18 9  o 43.530  8.1257 101.347  33.628  83.035   41.589  135.930  57.153  38.577  10.597 48.773  11.963 -10.19553      15.98152  
1 1 1 0   -17 1  f 149.243 1.9460 1100.44  28.666  1095.95  40.570  1104.92  40.510  148.857 2.7612 149.466 2.7459 -0.6093597     3.894155  
1 1 1 0   -17 2  o 56.519  6.4197 161.552  35.178  146.995  49.015  177.015  50.517  53.067  9.7158 58.551  9.0316 -5.484760      13.26523  
1 1 1 0   -17 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -17 4  o 152.833 2.3227 1154.89  35.038  1135.74  62.785  1163.55  42.224  151.245 4.2057 153.343 2.7898 -2.098160      5.046890  
1 1 1 0   -17 5  o 43.069  1.2729 91.602   5.4111  86.093   7.5431  97.442   7.7668  41.740  1.8309 44.408  1.7719 -2.667843      2.547940  
1 1 1 0   -17 6  o 121.307 1.6728 727.177  20.029  732.749  27.814  721.174  28.867  121.699 2.3155 120.720 2.4226 0.9791489      3.351240  
1 1 1 0   -17 7  o 127.259 1.7242 800.567  21.657  799.333  30.006  801.909  31.289  127.063 2.3925 127.251 2.4911 -0.1875076     3.453985  
1 1 1 0   -17 8  o 33.062  1.3345 54.010   4.3550  52.410   5.6017  56.454   6.9241  32.508  1.7523 33.709  2.0914 -1.200676      2.728451  
1 1 1 0   -17 9  o 67.428  6.4021 232.789  42.097  268.315  60.224  198.845  58.868  71.384  8.7292 60.623  10.200 10.76177       13.42557  
1 1 1 0   -17 10 o 45.549  6.8606 108.155  29.887  114.825  42.637  101.713  41.905  45.861  9.7210 42.988  10.055 2.872440       13.98591  
1 1 1 0   -16 1  o 20.405  7.0113 19.001   17.064  19.705   22.864  18.116   25.638  22.014  8.0584 22.330  8.4619 -0.3159733     11.68509  
1 1 1 0   -16 2  o 101.201 6.2911 512.560  62.530  508.392  88.237  516.766  88.626  100.058 9.0318 100.897 8.9935 -0.8391800     12.74585  
1 1 1 0   -16 3  o 162.233 2.8064 1301.67  44.940  1564.85  152.404 1276.60  47.031  176.265 8.7598 160.644 2.9661 15.62097       9.248365  
1 1 1 0   -16 4  o 93.066  1.2929 427.654  11.877  449.987  16.750  405.071  16.844  95.445  1.7779 90.552  1.8845 4.893707       2.590851  
1 1 1 0   -16 5  o 105.855 1.4332 553.350  14.975  550.834  21.299  555.809  21.057  105.580 2.0439 106.058 2.0115 -0.4778671     2.867665  
1 1 1 0   -16 6  o 68.799  1.2950 233.734  8.7941  268.989  15.608  217.335  10.645  73.769  2.1436 66.331  1.6258 7.437981       2.690390  
1 1 1 0   -16 7  o 134.953 1.8008 900.001  23.987  892.363  34.149  907.440  33.702  134.286 2.5764 135.424 2.5213 -1.137344      3.604850  
1 1 1 0   -16 8  o 92.789  1.3041 425.273  11.944  446.512  16.726  403.172  17.062  95.043  1.7829 90.302  1.9142 4.741188       2.615942  
1 1 1 0   -16 9  o 91.341  1.4345 412.263  12.933  402.872  15.790  431.410  22.545  90.266  1.7722 93.329  2.4473 -3.062881      3.021617  
1 1 1 0   -16 10 o 33.186  8.2061 58.924   26.729  63.481   47.982  56.873   32.186  34.875  11.760 32.580  9.4538 2.294556       15.08845  
1 1 1 0   -16 11 o 77.086  6.4315 303.810  48.489  320.695  68.799  287.146  68.350  77.898  9.1206 73.365  9.6747 4.532951       13.29609  
1 1 1 0   -15 1  o 57.251  1.3187 161.824  7.4516  155.788  8.9896  175.077  13.321  56.167  1.6215 59.526  2.2673 -3.358509      2.787438  
1 1 1 0   -15 2  o 53.250  1.1430 139.985  6.0074  130.452  8.2510  150.740  8.7636  51.397  1.6264 55.250  1.6070 -3.852688      2.286431  
1 1 1 0   -15 3  o 183.630 2.2954 1666.24  41.604  1626.45  58.831  1706.05  58.843  181.304 3.2875 185.698 3.2104 -4.394257      4.595007  
1 1 1 0   -15 4  o 127.608 2.2252 804.616  28.027  657.085  111.986 814.474  28.948  113.561 10.096 128.383 2.2844 -14.82291      10.35142  
1 1 1 0   -15 5  o 44.804  0.8755 99.086   3.8716  107.692  5.4246  90.152   5.5273  46.705  1.1767 42.731  1.3105 3.974121       1.761272  
1 1 1 0   -15 6  o 155.229 2.0681 1190.58  31.687  1215.98  44.812  1165.17  44.813  156.788 2.8957 153.469 2.9583 3.318268       4.139643  
1 1 1 0   -15 7  o 11.230  3.0828 6.4359   3.5210  6.5201   4.9979  6.3529   4.9612  11.673  3.7907 11.556  3.7780 0.1171246      5.351880  
1 1 1 0   -15 8  o 35.219  9.4996 65.384   33.781  0.0000   0.0000  65.384   33.781  ?       ?      35.219  9.4996 0.000000       9.499637  
1 1 1 0   -15 9  o 54.156  0.8999 144.796  4.8101  143.831  6.5970  145.892  7.0285  53.966  1.2385 54.350  1.3102 -0.3830338     1.802896  
1 1 1 0   -15 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -15 11 o 55.896  9.6488 166.973  51.309  166.973  51.309  0.0000   0.0000  55.896  9.6488 ?       ?      0.000000       9.648826  
1 1 1 0   -15 12 o 87.715  7.4736 396.481  64.088  388.194  78.305  413.294  111.536 85.753  9.4058 85.626  13.656 0.1279068      16.58163  
1 1 1 0   -14 1  o 123.607 1.6430 754.437  20.046  743.047  28.344  765.835  28.354  122.636 2.3416 124.505 2.3072 -1.868286      3.287297  
1 1 1 0   -14 2  o 97.654  1.2974 470.802  12.505  467.858  17.728  473.717  17.642  97.331  1.8453 97.939  1.8250 -0.6083145     2.595348  
1 1 1 0   -14 3  o 116.083 1.4984 665.357  17.168  661.854  24.300  668.849  24.258  115.749 2.1270 116.360 2.1121 -0.6108856     2.997510  
1 1 1 0   -14 4  o 163.177 2.0547 1315.31  33.093  1333.95  46.805  1296.67  46.795  164.254 2.8870 161.938 2.9276 2.316071       4.111637  
1 1 1 0   -14 5  o 101.179 6.2773 511.662  62.380  508.365  88.148  514.971  88.290  100.189 9.0100 100.857 8.9624 -0.6671753     12.70847  
1 1 1 0   -14 6  o 43.085  0.8346 91.629   3.5495  90.822   4.8301  92.576   5.2335  42.892  1.1409 43.303  1.2244 -0.4112129     1.673600  
1 1 1 0   -14 7  o 50.150  1.8214 124.225  9.0158  0.0000   0.0000  124.225  9.0158  ?       ?      50.150  1.8214 0.000000       1.821390  
1 1 1 0   -14 8  o 116.375 6.4172 678.153  73.428  684.226  104.006 672.118  103.679 116.042 9.1549 114.984 9.2126 1.058197       12.98786  
1 1 1 0   -14 9  o 117.244 1.4952 678.906  17.303  654.338  24.347  703.978  24.596  115.057 2.1439 119.346 2.0879 -4.289337      2.992632  
1 1 1 0   -14 10 o 60.965  9.3618 194.023  54.534  0.0000   0.0000  194.023  54.534  ?       ?      60.965  9.3618 0.000000       9.361780  
1 1 1 0   -14 11 o 117.562 9.3353 716.909  107.433 0.0000   0.0000  716.909  107.433 ?       ?      117.562 9.3353 0.000000       9.335264  
1 1 1 0   -14 12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -14 13 o 41.983  9.8550 95.750   40.137  95.750   40.137  0.0000   0.0000  41.983  9.8550 ?       ?      0.000000       9.854962  
1 1 1 0   -13 1  o 201.820 2.4736 2012.11  49.275  2041.89  69.705  1982.37  69.665  203.213 3.4752 200.224 3.5251 2.988922       4.950045  
1 1 1 0   -13 2  o 69.429  0.9446 237.934  6.4734  238.417  9.2351  237.468  9.0766  69.494  1.3464 69.356  1.3259 0.1381149      1.889617  
1 1 1 0   -13 3  f 179.467 2.3567 1591.23  41.747  1648.09  59.099  1534.59  58.979  182.555 3.2798 176.144 3.3923 6.410446       4.718589  
1 1 1 0   -13 4  o 109.187 1.3890 588.596  14.969  581.957  21.186  595.214  21.153  108.548 1.9774 109.779 1.9522 -1.230507      2.778707  
1 1 1 0   -13 5  f 110.603 1.4131 603.969  15.426  639.616  21.934  569.080  21.700  113.798 1.9528 107.336 2.0482 6.462280       2.829954  
1 1 1 0   -13 6  o 142.489 6.4874 1011.02  91.240  1027.08  129.111 994.996  128.954 142.690 9.2165 140.386 9.3600 2.303604       13.13594  
1 1 1 0   -13 7  o 133.697 6.5254 890.510  86.112  914.643  119.933 864.830  123.717 134.620 9.0790 130.694 9.6589 3.925232       13.25604  
1 1 1 0   -13 8  o 117.395 1.5341 680.527  17.777  690.880  25.107  670.120  25.173  118.253 2.1511 116.460 2.1899 1.792503       3.069641  
1 1 1 0   -13 9  o 81.264  2.0148 326.261  16.161  238.261  68.192  331.497  16.635  67.763  10.538 81.911  2.0575 -14.14855      10.73689  
1 1 1 0   -13 10 o 123.394 6.5140 763.573  79.056  764.986  112.808 762.209  110.823 122.467 9.4041 122.308 9.2483 0.1586609      13.18968  
1 1 1 0   -13 11 o 64.000  6.3349 207.271  39.493  222.701  55.894  191.889  55.808  65.626  8.8551 60.576  9.6582 5.049652       13.10318  
1 1 1 0   -13 12 o 64.375  7.3945 212.611  46.133  194.537  79.603  221.750  56.608  58.958  13.905 65.172  9.0438 -6.213253      16.58710  
1 1 1 0   -13 13 o 37.059  9.5738 73.937   35.268  0.0000   0.0000  73.937   35.268  ?       ?      37.059  9.5738 0.000000       9.573824  
1 1 1 0   -13 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -12 1  o 90.403  1.1290 403.395  10.074  403.463  14.267  403.328  14.228  90.404  1.5989 90.388  1.5947 0.1509857E-01  2.258216  
1 1 1 0   -12 2  o 161.008 1.9998 1280.05  31.781  1321.27  45.011  1239.07  44.881  163.538 2.7885 158.364 2.8712 5.173569       4.002432  
1 1 1 0   -12 3  o 181.324 2.2437 1623.88  40.157  1610.42  56.773  1637.35  56.808  180.500 3.1866 182.005 3.1622 -1.505417      4.489337  
1 1 1 0   -12 4  o 154.531 2.0231 1179.35  30.858  1209.40  43.688  1149.44  43.590  156.434 2.8295 152.502 2.8959 3.931625       4.048707  
1 1 1 0   -12 5  o 84.076  1.0725 348.931  8.9006  355.280  12.601  342.611  12.574  84.828  1.5050 83.302  1.5292 1.526817       2.145602  
1 1 1 0   -12 6  o 128.808 6.3987 825.388  81.352  783.418  115.857 866.206  114.257 124.554 9.4955 131.187 8.8761 -6.633095      12.99803  
1 1 1 0   -12 7  o 224.771 3.6877 2500.23  81.814  2552.01  87.302  2126.80  234.444 227.050 3.8956 204.482 11.664 22.56834       12.29750  
1 1 1 0   -12 8  o 20.616  0.9151 20.979   1.8621  15.727   2.5444  27.036   2.7326  17.787  1.4622 23.372  1.1884 -5.584679      1.884252  
1 1 1 0   -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -12 10 o 52.139  6.4735 137.592  32.598  143.919  46.148  131.291  46.052  52.721  9.2031 50.197  9.6451 2.523899       13.33130  
1 1 1 0   -12 11 o 133.693 6.6074 893.805  87.191  861.882  123.228 925.811  123.386 129.988 9.6737 134.898 9.3240 -4.910614      13.43567  
1 1 1 0   -12 12 o 106.969 6.3703 575.450  66.954  597.880  94.778  553.105  94.597  108.071 8.9662 103.762 9.3364 4.308624       12.94457  
1 1 1 0   -12 13 o 34.186  9.2802 62.100   32.118  58.664   43.345  66.284   47.827  33.918  11.171 35.834  11.731 -1.916470      16.19867  
1 1 1 0   -12 14 o 107.504 7.4410 590.419  78.472  580.173  135.545 595.584  96.240  102.570 13.733 107.030 9.1994 -4.459984      16.52962  
1 1 1 0   -12 15 o 130.941 9.5233 896.707  122.239 0.0000   0.0000  896.707  122.239 ?       ?      130.941 9.5233 0.000000       9.523301  
1 1 1 0   -11 1  o 155.843 1.9392 1198.99  29.829  1174.58  42.186  1223.39  42.183  154.223 2.7713 157.397 2.7152 -3.174194      3.879786  
1 1 1 0   -11 2  o 272.576 3.2341 3670.47  87.010  3632.84  123.046 3708.11  123.056 271.033 4.5995 273.832 4.5529 -2.798981      6.471787  
1 1 1 0   -11 3  o 134.708 1.6894 895.853  22.463  865.916  31.712  925.997  31.822  132.415 2.4264 136.935 2.3544 -4.519470      3.380920  
1 1 1 0   -11 4  o 126.895 2.9502 795.641  36.952  846.552  112.452 789.479  39.124  129.985 8.8170 126.393 3.1361 3.591652       9.358099  
1 1 1 0   -11 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -11 6  f 226.450 3.1381 2535.18  70.141  2619.41  116.229 2486.93  87.964  229.848 5.1232 224.167 3.9756 5.680634       6.484776  
1 1 1 0   -11 7  f 97.052  1.2273 464.979  11.757  475.135  16.619  454.805  16.634  98.093  1.7165 95.970  1.7560 2.122818       2.455547  
1 1 1 0   -11 8  o 169.364 2.8221 1417.80  47.177  1402.76  49.405  1573.44  158.878 168.449 2.9715 176.906 9.1300 -8.457428      9.601398  
1 1 1 0   -11 9  o 81.313  6.3006 330.849  50.173  307.814  70.904  353.952  71.007  77.741  9.4336 83.612  8.7328 -5.871368      12.85512  
1 1 1 0   -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -11 11 f 92.126  6.3395 424.917  57.295  430.754  81.851  419.308  80.229  92.068  9.1273 90.842  9.0690 1.225807       12.86676  
1 1 1 0   -11 12 o 121.293 6.4451 737.037  76.884  709.908  107.768 765.156  109.719 118.078 9.3225 122.690 9.1255 -4.611267      13.04551  
1 1 1 0   -11 13 o 50.161  6.4900 128.152  31.379  133.769  44.508  122.601  44.246  50.520  9.2673 48.215  9.6344 2.305267       13.36805  
1 1 1 0   -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -11 15 o 34.620  8.2177 63.646   27.660  48.749   33.818  93.755   48.077  30.790  9.8466 41.452  11.396 -10.66137      15.06108  
1 1 1 0   -11 16 o 29.904  8.0188 47.431   24.155  44.172   41.447  49.107   29.725  30.511  10.892 30.530  9.1454 -0.1969147E-01 14.22258  
1 1 1 0   -10 1  o 203.453 2.4893 2043.68  49.989  2061.89  70.679  2025.45  70.711  204.315 3.5048 202.500 3.5378 1.815262       4.979861  
1 1 1 0   -10 2  o 279.262 3.3022 3851.94  91.022  3912.30  128.751 3791.63  128.697 281.331 4.6366 276.951 4.7080 4.379639       6.607809  
1 1 1 0   -10 3  o 136.332 6.4247 920.489  86.454  926.933  121.365 913.852  123.184 136.276 9.0747 135.271 9.2822 1.004730       12.98115  
1 1 1 0   -10 4  f 128.293 6.3236 815.656  80.076  810.000  113.135 821.334  113.353 127.257 9.0663 128.157 9.0185 -0.9000320     12.78798  
1 1 1 0   -10 5  o 18.467  0.9178 16.832   1.6730  14.975   2.2384  19.181   2.5180  17.368  1.3155 19.669  1.3044 -2.301105      1.852590  
1 1 1 0   -10 6  o 18.536  0.8579 16.958   1.5696  19.531   2.2963  14.701   2.1504  19.857  1.1769 17.210  1.2750 2.646347       1.735127  
1 1 1 0   -10 7  o 177.837 2.5013 1562.45  43.906  1548.91  54.772  1586.79  73.438  177.011 3.1349 179.050 4.1554 -2.038910      5.205283  
1 1 1 0   -10 8  f 47.542  0.5305 111.551  2.4895  121.573  3.5962  102.327  3.4499  49.630  0.7341 45.532  0.7676 4.097870       1.062151  
1 1 1 0   -10 9  o 218.669 7.3350 2383.59  158.314 2456.40  222.831 2309.38  224.965 220.949 10.218 214.059 10.648 6.890411       14.75704  
1 1 1 0   -10 10 o 170.093 6.7623 1440.63  113.532 1439.22  160.557 1442.04  160.559 168.969 9.6671 169.138 9.6575 -0.1689453     13.66459  
1 1 1 0   -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -10 12 o 237.368 7.5379 2818.72  176.605 2956.11  250.077 2682.04  249.439 241.563 10.488 229.798 10.997 11.76505       15.19698  
1 1 1 0   -10 13 o 84.133  6.2804 355.326  51.778  363.214  73.371  347.500  73.080  84.349  8.9495 82.427  9.1361 1.921677       12.78910  
1 1 1 0   -10 14 o 48.086  6.6158 118.085  30.569  123.095  43.273  113.094  43.189  48.370  9.4023 46.223  9.7719 2.146664       13.56077  
1 1 1 0   -10 15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -10 16 o 120.715 7.5561 743.764  89.577  730.346  155.024 750.490  109.754 115.253 13.909 120.238 9.3208 -4.985023      16.74295  
1 1 1 0   -10 17 o 17.124  6.2852 12.026   13.922  13.641   20.306  10.594   19.125  19.530  7.4997 18.385  7.2170 1.145920       10.40824  
1 1 1 0   -9  1  o 172.615 2.9942 1471.30  51.014  1392.71  72.078  1550.19  72.211  167.890 4.3495 177.138 4.1301 -9.248184      5.998015  
1 1 1 0   -9  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -9  3  o 413.062 10.080 8480.15  410.954 8215.76  581.073 8744.73  581.280 405.036 14.535 418.056 14.087 -13.01984      20.24100  
1 1 1 0   -9  4  o 164.415 2.0161 1334.50  32.718  1350.84  46.268  1318.16  46.273  165.393 2.8342 163.378 2.8695 2.014542       4.033174  
1 1 1 0   -9  5  o 227.617 2.7649 2558.76  62.118  2601.10  87.852  2516.43  87.843  229.412 3.8797 225.642 3.9442 3.770370       5.532503  
1 1 1 0   -9  6  o 169.978 2.1047 1426.64  35.311  1415.42  49.909  1437.89  49.965  169.263 2.9873 170.603 2.9672 -1.339630      4.210507  
1 1 1 0   -9  7  o 59.580  0.6863 175.198  4.0360  162.363  5.6537  188.537  5.7634  57.354  0.9987 61.804  0.9448 -4.450718      1.374782  
1 1 1 0   -9  8  o 144.824 3.2733 1036.92  46.791  1055.44  50.036  907.919  132.075 146.096 3.4699 134.176 10.046 11.91986       10.62797  
1 1 1 0   -9  9  o 141.784 6.4553 999.318  90.339  1021.44  127.811 977.235  127.707 142.552 9.1317 139.363 9.3380 3.189255       13.06086  
1 1 1 0   -9  10 o 61.645  6.1855 190.706  37.129  199.533  52.589  181.932  52.428  62.568  8.7552 59.592  9.2103 2.976479       12.70758  
1 1 1 0   -9  11 o 24.686  6.8041 31.270   17.112  35.289   23.917  27.056   24.493  26.616  8.2499 24.378  8.3987 2.238520       11.77281  
1 1 1 0   -9  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -9  13 o 234.913 7.5540 2760.95  175.152 2850.46  247.874 2671.68  247.531 237.140 10.590 229.384 10.933 7.755951       15.22086  
1 1 1 0   -9  14 o 20.045  7.0831 17.624   17.484  18.762   29.842  17.029   21.574  23.512  9.0749 20.948  7.7991 2.563835       11.96572  
1 1 1 0   -9  15 o 75.200  7.4576 287.827  54.624  278.182  93.158  292.881  67.434  71.491  13.701 75.257  9.2744 -3.765846      16.54445  
1 1 1 0   -9  16 o 74.642  6.4117 282.420  46.779  274.129  65.712  290.938  66.608  72.450  9.4113 74.747  9.2238 -2.297035      13.17767  
1 1 1 0   -9  17 o 76.922  6.3662 300.270  47.901  294.700  67.838  305.809  67.647  75.031  9.3638 76.554  9.1330 -1.522194      13.08021  
1 1 1 0   -8  1  o 180.478 6.7462 1612.03  120.176 1623.62  169.950 1600.44  169.960 180.621 9.5669 179.312 9.6383 1.309204       13.58020  
1 1 1 0   -8  2  o 273.063 3.1955 3682.07  86.126  3658.93  121.800 3705.21  121.801 272.120 4.5347 273.838 4.5063 -1.717865      6.393031  
1 1 1 0   -8  3  o 193.966 2.5139 1857.47  48.129  1927.47  68.096  1787.59  68.032  197.552 3.4922 190.244 3.6230 7.308746       5.032111  
1 1 1 0   -8  4  o 324.302 4.3723 5197.16  139.955 5581.30  221.958 4943.63  180.319 335.780 6.6970 316.139 5.7787 19.64063       8.845538  
1 1 1 0   -8  5  o 215.655 2.6461 2296.38  56.324  2353.97  79.660  2238.81  79.649  218.290 3.6972 212.878 3.7907 5.412109       5.295125  
1 1 1 0   -8  6  o 149.873 1.8814 1108.89  27.832  1126.56  39.366  1091.23  39.355  151.039 2.6406 148.650 2.6823 2.388901       3.763954  
1 1 1 0   -8  7  o 116.842 1.4577 673.921  16.811  668.184  23.776  679.657  23.772  116.330 2.0707 117.325 2.0528 -0.9949875     2.915791  
1 1 1 0   -8  8  o 227.847 10.493 2601.34  235.972 2618.83  333.621 2583.82  333.810 226.381 15.016 224.797 15.132 1.583649       21.31829  
1 1 1 0   -8  9  o 118.299 6.3001 696.981  73.298  706.643  103.689 687.330  103.629 118.583 8.9242 116.912 9.0508 1.670799       12.71056  
1 1 1 0   -8  10 o 273.931 8.0417 3744.22  217.430 3781.39  308.626 3707.60  306.372 273.768 11.421 271.069 11.451 2.699615       16.17306  
1 1 1 0   -8  11 o 123.107 6.3962 755.421  77.454  744.554  108.509 766.709  110.593 121.601 9.1067 123.396 9.1452 -1.795113      12.90610  
1 1 1 0   -8  12 f 218.479 7.3029 2379.53  157.485 2284.02  222.559 2475.32  222.876 212.876 10.592 221.788 10.181 -8.911377      14.69177  
1 1 1 0   -8  13 o 121.829 9.1959 749.443  109.766 708.731  155.706 789.665  154.764 116.835 13.766 123.777 12.855 -6.941429      18.83522  
1 1 1 0   -8  14 o 80.089  6.2603 321.503  49.094  341.752  69.651  301.508  69.211  82.008  8.7393 76.818  9.3189 5.190399       12.77564  
1 1 1 0   -8  15 o 86.740  6.3397 377.976  53.902  410.074  77.294  347.588  75.207  89.643  8.8512 82.278  9.4308 7.365074       12.93385  
1 1 1 0   -8  16 o 73.241  6.3849 271.153  45.696  246.868  64.613  295.453  64.634  68.763  9.7969 75.699  8.8155 -6.936264      13.17928  
1 1 1 0   -8  17 o 25.248  7.0578 33.178   18.272  39.689   26.304  27.106   25.401  27.841  8.6556 24.305  8.5426 3.536219       12.16126  
1 1 1 0   -8  18 o 110.386 7.4392 622.141  80.581  571.412  138.909 647.870  98.928  101.433 14.269 111.778 9.0441 -10.34541      16.89384  
1 1 1 0   -7  1  o 108.576 1.3374 581.877  14.333  600.233  20.305  563.650  20.234  110.269 1.8656 106.854 1.9184 3.413940       2.675988  
1 1 1 0   -7  2  o 281.267 3.3696 3907.09  93.547  3991.33  135.415 3830.19  129.383 284.176 4.8278 278.390 4.7086 5.785461       6.743730  
1 1 1 0   -7  3  o 175.247 2.1598 1516.08  37.360  1534.55  52.780  1497.53  52.890  176.288 3.0333 174.147 3.0770 2.141006       4.320721  
1 1 1 0   -7  4  o 312.730 4.1509 4831.44  128.130 4866.61  181.202 4796.28  181.203 313.711 5.8519 311.431 5.8948 2.279633       8.306273  
1 1 1 0   -7  5  o 171.945 2.1015 1459.49  35.665  1417.86  50.443  1501.11  50.434  169.450 3.0160 174.356 2.9306 -4.906464      4.205277  
1 1 1 0   -7  6  o 245.858 2.9889 2984.99  72.532  3037.43  102.568 2932.53  102.583 247.934 4.1913 243.609 4.2663 4.324432       5.980619  
1 1 1 0   -7  7  o 289.820 3.4267 4149.61  98.025  4192.13  138.619 4107.08  138.637 291.154 4.8235 288.179 4.8740 2.974945       6.857286  
1 1 1 0   -7  8  o 133.365 6.3380 881.738  83.431  943.663  118.140 820.128  117.839 137.417 8.7557 127.943 9.3969 9.473976       12.84383  
1 1 1 0   -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -7  10 o 14.072  5.2324 7.4694   9.7049  10.413   13.370  4.1906   14.110  16.544  6.1435 14.948  6.0850 1.595749       8.646970  
1 1 1 0   -7  11 o 281.974 8.1273 3967.79  226.197 3900.44  319.847 4035.17  319.936 277.952 11.658 282.818 11.461 -4.866364      16.34848  
1 1 1 0   -7  12 o 97.473  7.1516 475.610  68.324  498.662  83.945  430.370  117.602 99.504  8.6327 91.036  13.497 8.468231       16.02126  
1 1 1 0   -7  13 f 92.712  6.2109 429.190  56.507  470.817  79.402  386.471  80.436  96.676  8.4047 87.261  9.4920 9.414848       12.67817  
1 1 1 0   -7  14 o 207.473 7.2634 2148.23  148.742 2197.55  210.650 2099.18  210.058 208.706 10.226 203.617 10.487 5.088547       14.64758  
1 1 1 0   -7  15 o 120.242 6.3975 723.057  75.654  761.916  107.304 684.649  106.681 122.691 8.9218 116.114 9.3886 6.577148       12.95163  
1 1 1 0   -7  16 o 59.598  6.3982 179.670  37.049  167.757  52.573  191.423  52.219  56.672  9.7503 60.863  8.9605 -4.191795      13.24228  
1 1 1 0   -7  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -7  18 o 28.196  7.1442 41.774   19.907  54.517   28.649  29.878   27.681  32.091  8.7870 25.410  8.9186 6.680256       12.52007  
1 1 1 0   -7  19 o 112.092 7.6433 643.450  84.060  662.935  103.582 605.866  143.861 112.759 9.3922 104.190 14.371 8.569084       17.16836  
1 1 1 0   -6  1  o 149.257 6.4384 1104.45  94.851  1091.61  134.121 1117.29  134.159 147.752 9.2431 149.509 9.1350 -1.756927      12.99551  
1 1 1 0   -6  2  o 50.508  0.5129 125.900  2.5572  134.319  3.7396  118.506  3.5046  52.168  0.7263 49.001  0.7246 3.166931       1.025901  
1 1 1 0   -6  3  o 62.543  0.6894 193.054  4.2558  194.892  6.0376  191.239  5.9999  62.839  0.9734 62.248  0.9765 0.5917320      1.378819  
1 1 1 0   -6  4  o 390.203 4.5129 7523.01  173.811 7566.10  245.804 7479.92  245.806 391.093 6.3676 388.854 6.4043 2.238953       9.031145  
1 1 1 0   -6  5  o 45.913  0.4653 104.036  2.1088  107.474  3.4514  101.989  2.6638  46.665  0.7493 45.459  0.5937 1.206219       0.9560009 
1 1 1 0   -6  6  o 60.638  0.6413 181.472  3.8386  189.393  5.4063  173.419  5.4511  61.947  0.8842 59.277  0.9317 2.670216       1.284456  
1 1 1 0   -6  7  o 135.811 3.0252 910.851  40.553  935.505  122.579 907.821  42.972  136.989 9.1177 135.579 3.2112 1.409225       9.666664  
1 1 1 0   -6  8  o 37.551  6.4618 71.815   23.086  70.730   32.747  72.888   32.552  36.993  9.0442 37.552  8.9155 -0.5591354     12.69970  
1 1 1 0   -6  9  o 197.105 7.0798 1928.37  137.737 1938.73  194.783 1917.99  194.795 196.813 10.060 195.740 10.117 1.073578       14.26770  
1 1 1 0   -6  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -6  11 o 191.863 6.9720 1830.82  132.033 1830.76  186.725 1830.88  186.721 190.854 9.9466 190.860 9.9460 -0.6179810E-02 14.06621  
1 1 1 0   -6  12 o 162.627 6.6868 1315.10  107.336 1328.96  151.830 1301.25  151.763 162.597 9.5018 160.856 9.6024 1.740967       13.50889  
1 1 1 0   -6  13 o 123.527 6.3923 760.515  77.671  746.425  110.826 774.116  108.887 121.711 9.2955 124.052 8.9530 -2.340988      12.90591  
1 1 1 0   -6  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -6  15 o 87.644  6.2840 384.317  54.001  361.607  76.577  406.782  76.161  84.297  9.3616 89.635  8.7187 -5.337967      12.79281  
1 1 1 0   -6  16 o 51.712  6.6125 135.665  32.978  120.300  47.266  150.239  46.035  47.802  10.320 53.903  8.9676 -6.100952      13.67198  
1 1 1 0   -6  17 f 287.461 8.3267 4182.00  236.256 4361.39  334.381 4003.18  333.853 290.099 11.678 277.330 12.196 12.76822       16.88547  
1 1 1 0   -6  18 o 52.568  6.5823 141.158  33.405  149.445  47.549  133.084  46.939  53.248  9.3902 50.031  9.8558 3.217216       13.61293  
1 1 1 0   -6  19 o 84.130  7.3846 361.673  60.701  360.216  74.569  364.535  104.507 83.171  9.2397 81.414  13.476 1.757095       16.33974  
1 1 1 0   -5  1  o 164.340 2.0016 1333.52  32.467  1345.71  45.923  1321.34  45.908  165.050 2.8189 163.547 2.8439 1.502701       4.004262  
1 1 1 0   -5  2  o 265.049 7.8237 3491.83  204.678 3621.74  288.671 3360.50  290.253 269.047 10.870 259.001 11.354 10.04553       15.71854  
1 1 1 0   -5  3  o 166.408 2.0358 1367.17  33.439  1382.31  47.315  1352.06  47.264  167.296 2.8654 165.454 2.8942 1.841980       4.072663  
1 1 1 0   -5  4  o 177.296 2.1653 1551.79  37.892  1618.43  53.559  1485.01  53.615  181.037 2.9973 173.409 3.1324 7.627640       4.335414  
1 1 1 0   -5  5  o 148.875 1.8036 1094.02  26.503  1110.79  37.478  1077.24  37.485  149.998 2.5314 147.715 2.5710 2.283066       3.607999  
1 1 1 0   -5  6  o 250.361 3.2755 3095.27  80.942  3135.50  114.462 3055.03  114.476 251.910 4.6035 248.652 4.6643 3.257309       6.553461  
1 1 1 0   -5  7  o 121.162 2.0243 724.702  24.209  713.423  34.243  735.972  34.230  120.199 2.8863 122.084 2.8406 -1.885887      4.049654  
1 1 1 0   -5  8  o 260.569 3.8160 3354.25  98.145  3395.70  138.808 3312.81  138.787 262.042 5.3667 258.818 5.4328 3.224243       7.636552  
1 1 1 0   -5  9  o 191.461 3.1041 1810.72  58.661  1863.48  82.990  1758.03  82.929  194.148 4.3307 188.566 4.4556 5.582657       6.213488  
1 1 1 0   -5  10 o 219.849 2.9961 2387.91  65.014  2349.96  108.221 2409.34  81.325  217.881 5.0322 220.768 3.7321 -2.886307      6.265113  
1 1 1 0   -5  11 o 141.964 2.0985 995.266  29.405  963.529  51.747  1010.40  35.734  139.584 3.7560 143.019 2.5314 -3.434830      4.529366  
1 1 1 0   -5  12 o 42.704  0.5067 90.004   2.1358  93.379   2.8756  85.852   3.1895  43.497  0.6698 41.706  0.7748 1.790386       1.024184  
1 1 1 0   -5  13 o 46.680  0.8070 107.549  3.7181  107.498  3.7342  113.339  40.037  46.669  0.8107 46.842  8.9863 -0.1736603     9.022828  
1 1 1 0   -5  14 o 163.325 2.0382 1317.45  32.857  1341.02  46.521  1293.98  46.412  164.719 2.8614 161.801 2.9061 2.918381       4.078342  
1 1 1 0   -5  15 o 112.703 1.4401 627.121  16.020  664.060  22.939  591.955  22.382  115.952 2.0043 109.473 2.0714 6.478920       2.882346  
1 1 1 0   -5  16 f 116.167 1.4531 666.325  16.661  628.278  23.553  704.429  23.571  112.770 2.1160 119.416 1.9998 -6.645615      2.911471  
1 1 1 0   -5  17 o 104.344 1.5324 537.710  15.782  538.818  27.466  537.164  19.284  104.375 2.6660 104.272 1.8737 0.1029205      3.258559  
1 1 1 0   -5  18 o 38.217  0.6918 72.094   2.6096  73.247   3.6031  70.823   3.7846  38.518  0.9477 37.874  1.0124 0.6435966      1.386745  
1 1 1 0   -5  19 o 96.533  1.2341 460.237  11.759  452.729  16.671  467.671  16.588  95.705  1.7648 97.275  1.7277 -1.569664      2.469710  
1 1 1 0   -5  20 o 105.409 2.5928 550.359  26.976  533.011  28.152  745.169  94.338  103.710 2.7501 120.568 7.9722 -16.85814      8.433218  
1 1 1 0   -4  1  o 554.605 6.1291 15234.00 335.517 16749.73 474.812 13722.35 474.173 580.691 8.2841 525.229 9.1465 55.46240       12.34035  
1 1 1 0   -4  2  o 96.948  1.1724 463.928  11.219  464.039  15.865  463.817  15.865  96.952  1.6579 96.929  1.6583 0.2326965E-01  2.344918  
1 1 1 0   -4  3  o 161.872 2.6532 1294.21  42.391  1276.18  44.269  1493.31  147.126 160.733 2.7903 173.196 8.6064 -12.46271      9.047403  
1 1 1 0   -4  4  o 151.336 1.8426 1130.64  27.523  1102.00  38.909  1159.32  38.939  149.382 2.6389 153.221 2.5747 -3.838333      3.686846  
1 1 1 0   -4  5  o 207.645 2.4642 2128.71  50.504  2107.09  71.417  2150.34  71.430  206.547 3.5030 208.658 3.4683 -2.110428      4.929513  
1 1 1 0   -4  6  o 273.422 3.5440 3692.08  95.644  3758.62  157.585 3653.27  120.344 275.716 5.7906 271.925 4.4837 3.791046       7.323565  
1 1 1 0   -4  7  o 215.393 3.2265 2290.97  68.596  2420.24  118.920 2226.50  83.975  221.268 5.4450 212.307 4.0073 8.960220       6.760702  
1 1 1 0   -4  8  o 372.263 4.2530 6847.79  156.270 6868.83  221.007 6826.75  220.992 372.601 6.0094 371.455 6.0275 1.146027       8.511371  
1 1 1 0   -4  9  o 184.224 2.5874 1675.77  47.047  1618.47  78.848  1707.44  58.628  180.961 4.4144 185.933 3.1946 -4.971909      5.449051  
1 1 1 0   -4  10 o 196.348 2.4415 1903.77  47.317  1921.57  66.937  1886.00  66.894  197.207 3.4388 195.370 3.4689 1.836014       4.884584  
1 1 1 0   -4  11 o 181.071 2.2518 1619.14  40.245  1619.29  56.178  1618.98  57.682  181.024 3.1441 181.000 3.2287 0.2345276E-01  4.506647  
1 1 1 0   -4  12 o 111.518 1.3815 613.929  15.207  679.334  21.634  550.052  21.379  117.294 1.8686 105.539 2.0523 11.75514       2.775574  
1 1 1 0   -4  13 f 120.804 1.5173 720.499  18.092  730.252  25.660  710.858  25.513  121.597 2.1380 119.971 2.1545 1.626205       3.035260  
1 1 1 0   -4  14 o 212.281 2.6154 2226.58  54.800  2224.93  77.494  2228.22  77.502  212.076 3.7021 212.233 3.6997 -0.1569977     5.233855  
1 1 1 0   -4  15 o 210.146 2.6376 2182.26  54.710  2164.98  76.223  2200.61  78.574  209.182 3.6917 210.885 3.7749 -1.702332      5.280017  
1 1 1 0   -4  16 o 255.897 5.1046 3249.45  128.931 3255.27  145.693 3228.43  276.862 255.934 5.7674 252.509 11.108 3.424225       12.51637  
1 1 1 0   -4  17 o 115.037 7.3899 664.958  83.465  736.463  145.356 629.784  101.948 119.174 12.546 111.339 9.3637 7.834846       15.65473  
1 1 1 0   -4  18 o 42.854  6.7399 94.166   27.567  94.954   39.458  93.415   38.531  42.389  9.6475 42.066  9.5041 0.3234253      13.54259  
1 1 1 0   -4  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   -4  20 o 27.018  1.9954 36.294   5.2835  57.562   28.972  35.563   5.3736  32.930  8.7606 26.737  2.0519 6.192741       8.997725  
1 1 1 0   -4  21 o 73.399  2.0494 266.541  14.848  357.446  66.135  261.716  15.237  83.126  8.1659 72.725  2.1226 10.40115       8.437280  
1 1 1 0   -3  1  o 186.874 2.2534 1724.10  41.564  1766.02  58.787  1682.20  58.774  189.099 3.1496 184.554 3.2265 4.545013       4.508898  
1 1 1 0   -3  2  f 198.968 2.3800 1954.71  46.740  2001.46  66.101  1907.97  66.099  201.285 3.3271 196.523 3.4076 4.761856       4.762470  
1 1 1 0   -3  3  o 173.480 2.2172 1486.07  37.966  1538.03  53.695  1434.12  53.689  176.441 3.0832 170.370 3.1927 6.070938       4.438388  
1 1 1 0   -3  4  o 273.869 4.0769 3708.68  110.206 3594.15  119.026 4396.70  291.723 269.554 4.4737 296.785 9.9585 -27.23135      10.91724  
1 1 1 0   -3  5  o 270.683 3.1365 3619.04  83.800  3667.51  118.519 3570.58  118.503 272.378 4.4084 268.748 4.4674 3.629517       6.276270  
1 1 1 0   -3  6  o 211.127 2.5394 2200.69  52.918  2190.13  74.842  2211.24  74.833  210.578 3.6008 211.592 3.5831 -1.013351      5.079802  
1 1 1 0   -3  7  o 360.003 4.0977 6401.92  145.607 6262.36  205.915 6541.50  205.925 355.888 5.8619 363.748 5.7356 -7.859711      8.201151  
1 1 1 0   -3  8  o 221.316 2.7829 2418.35  60.792  2577.10  86.017  2259.92  85.928  228.420 3.8152 213.890 4.0701 14.53018       5.578689  
1 1 1 0   -3  9  o 331.866 3.9095 5440.70  128.062 5470.59  181.121 5410.83  181.093 332.615 5.5169 330.790 5.5465 1.825317       7.823003  
1 1 1 0   -3  10 o 115.505 1.4398 658.537  16.414  647.194  23.212  669.883  23.215  114.496 2.0540 116.486 2.0191 -1.990417      2.880191  
1 1 1 0   -3  11 o 180.171 2.2247 1602.91  39.563  1647.08  56.031  1559.00  55.871  182.590 3.1090 177.636 3.1866 4.954437       4.451953  
1 1 1 0   -3  12 f 183.800 2.4212 1668.56  43.926  1638.45  62.139  1698.64  62.101  182.057 3.4580 185.377 3.3940 -3.319092      4.845292  
1 1 1 0   -3  13 o 166.391 2.0670 1367.27  33.947  1385.59  48.068  1349.04  47.948  167.447 2.9083 165.221 2.9402 2.226257       4.135592  
1 1 1 0   -3  14 o 243.286 7.6411 2949.67  183.487 2978.95  260.673 2920.91  258.322 243.290 10.855 240.905 10.864 2.385391       15.35765  
1 1 1 0   -3  15 o 91.051  6.3929 414.093  57.089  416.983  79.969  411.089  81.526  90.832  9.0398 90.120  9.2988 0.7117844      12.96863  
1 1 1 0   -3  16 o 124.746 1.6535 768.404  20.359  800.458  28.991  737.217  28.597  127.289 2.3075 122.154 2.3718 5.135338       3.309067  
1 1 1 0   -3  17 o 96.269  1.2819 457.551  12.181  439.090  17.316  475.633  17.138  94.287  1.8607 98.136  1.7693 -3.848877      2.567607  
1 1 1 0   -3  18 o 22.977  1.4397 26.174   3.2486  16.442   5.1663  32.538   4.1779  17.986  3.0169 25.613  1.6616 -7.626808      3.444221  
1 1 1 0   -3  19 o 38.539  1.0075 73.329   3.8323  84.092   5.8278  65.129   5.0870  41.262  1.4309 36.313  1.4193 4.948753       2.015410  
1 1 1 0   -3  20 o 29.683  1.3023 43.520   3.8154  41.201   4.8293  47.371   6.2240  28.823  1.7051 30.882  2.0536 -2.059290      2.669171  
1 1 1 0   -3  21 o 37.213  1.1731 68.394   4.3089  66.599   5.9355  70.395   6.2652  36.708  1.6382 37.739  1.6820 -1.030125      2.347903  
1 1 1 0   -2  1  o 226.526 2.6853 2533.59  60.040  2728.76  84.919  2338.50  84.901  235.044 3.6604 217.572 3.9534 17.47099       5.387750  
1 1 1 0   -2  2  o 78.278  5.9443 304.887  45.584  304.279  64.464  305.494  64.467  77.864  8.5273 78.023  8.5090 -0.1594315     12.04650  
1 1 1 0   -2  3  f 300.320 4.4856 4459.08  132.966 4364.40  144.579 4978.43  338.614 297.060 4.9309 315.966 10.858 -18.90622      11.92477  
1 1 1 0   -2  4  o 30.949  0.1659 47.271   0.5068  40.189   24.584  47.274   0.5069  28.197  8.2853 30.950  0.1659 -2.752863      8.287006  
1 1 1 0   -2  5  o 254.473 3.0278 3199.02  76.050  3207.33  107.613 3190.73  107.489 254.677 4.2810 254.016 4.2872 0.6608124      6.058569  
1 1 1 0   -2  6  o 162.526 1.9912 1303.99  31.942  1316.07  45.182  1291.92  45.164  163.254 2.8039 161.748 2.8289 1.505890       3.983074  
1 1 1 0   -2  7  o 286.157 3.3700 4043.82  95.186  3937.50  134.663 4149.98  134.562 282.273 4.8333 289.799 4.7043 -7.526062      6.744716  
1 1 1 0   -2  8  o 220.027 2.8849 2390.29  62.653  2407.89  88.615  2372.70  88.595  220.786 4.0663 219.165 4.0955 1.620682       5.771305  
1 1 1 0   -2  9  o 337.493 3.9514 5627.16  131.629 5713.55  186.169 5540.79  186.135 339.901 5.5491 334.712 5.6341 5.188965       7.907912  
1 1 1 0   -2  10 o 528.087 5.8791 13796.12 306.443 13909.59 433.201 13682.47 433.550 529.627 8.2868 525.263 8.3624 4.364624       11.77285  
1 1 1 0   -2  11 o 292.757 3.4856 4234.58  100.722 4248.60  142.461 4220.56  142.423 293.076 4.9247 292.105 4.9398 0.9709473      6.975266  
1 1 1 0   -2  12 o 38.617  6.4663 75.952   23.776  78.582   33.352  73.235   33.903  38.953  8.8728 37.589  9.2102 1.364170       12.78880  
1 1 1 0   -2  13 o 281.655 8.1532 3953.74  226.663 4039.17  320.661 3868.42  320.440 283.330 11.466 277.162 11.713 6.168793       16.39132  
1 1 1 0   -2  14 o 158.803 1.9980 1245.39  31.317  1240.67  44.338  1250.09  44.241  158.450 2.8350 159.051 2.8181 -0.6015320     3.997341  
1 1 1 0   -2  15 o 103.634 1.8799 530.367  19.230  595.453  92.283  527.412  19.662  108.805 8.6647 103.344 1.9275 5.461693       8.876473  
1 1 1 0   -2  16 o 204.702 2.5083 2070.40  50.679  2173.66  71.860  1968.22  71.483  209.632 3.4729 199.459 3.6309 10.17303       5.024432  
1 1 1 0   -2  17 o 130.350 1.6812 839.038  21.630  889.338  30.861  790.474  30.324  134.163 2.3305 126.480 2.4290 7.683044       3.366197  
1 1 1 0   -2  18 o 94.481  1.4947 440.802  13.939  444.706  25.061  439.053  16.773  94.839  2.6772 94.281  1.8024 0.5572891      3.227378  
1 1 1 0   -2  19 o 39.966  1.0394 78.857   4.1001  79.103   6.1086  78.656   5.5311  40.019  1.5465 39.909  1.4041 0.1104202      2.088815  
1 1 1 0   -2  20 o 47.881  1.0637 113.203  5.0273  97.465   7.2637  127.673  6.9649  44.412  1.6570 50.840  1.3880 -6.428047      2.161496  
1 1 1 0   -2  21 o 24.446  1.6832 29.676   4.0367  26.835   5.5577  32.848   5.8729  23.152  2.4702 25.656  2.3451 -2.504663      3.406095  
1 1 1 0   -2  22 o 96.406  1.4194 459.239  13.507  467.071  19.322  451.753  18.889  97.165  2.0146 95.560  2.0026 1.605186       2.840663  
1 1 1 0   -1  1  o 205.928 7.0213 2098.94  142.715 2105.94  202.732 2092.06  200.938 205.967 9.9722 205.294 9.9164 0.6734161      14.06339  
1 1 1 0   -1  2  o 1.5939  0.7341 -0.2114  0.2670  0.0000   0.0000  -0.2114  0.2670  ?       ?      1.5939  0.7341 0.000000       0.7341271 
1 1 1 0   -1  3  o 295.941 3.4352 4326.02  100.344 4339.96  141.909 4312.08  141.906 296.289 4.8525 295.335 4.8680 0.9547119      6.873426  
1 1 1 0   -1  4  o 195.990 2.5380 1896.91  49.098  1883.94  69.431  1909.89  69.439  195.256 3.6026 196.598 3.5784 -1.341583      5.077780  
1 1 1 0   -1  5  o 69.486  1.1168 238.321  7.6599  283.493  57.595  237.507  7.7286  75.114  7.8861 69.367  1.1288 5.746536       7.966482  
1 1 1 0   -1  6  o 169.689 2.0727 1421.64  34.715  1448.85  49.075  1394.40  49.113  171.271 2.9030 168.019 2.9615 3.251709       4.147015  
1 1 1 0   -1  7  o 163.587 2.0096 1321.04  32.449  1325.79  45.917  1316.31  45.861  163.860 2.8390 163.273 2.8458 0.5872040      4.019773  
1 1 1 0   -1  8  o 265.066 3.1668 3469.35  82.854  3528.97  117.244 3409.89  117.103 267.263 4.4444 262.710 4.5160 4.552429       6.336227  
1 1 1 0   -1  9  o 270.924 3.5682 3625.01  95.418  3466.70  134.908 3783.48  134.975 264.839 5.1609 276.691 4.9423 -11.85269      7.145658  
1 1 1 0   -1  10 o 225.062 2.7062 2500.96  60.117  2491.06  85.014  2510.86  85.024  224.564 3.8355 225.455 3.8207 -0.8913422     5.413763  
1 1 1 0   -1  11 o 236.896 7.4403 2781.86  173.974 2802.44  246.065 2761.29  246.006 237.252 10.508 235.488 10.584 1.763290       14.91407  
1 1 1 0   -1  12 o 316.909 8.5914 4995.75  268.739 5171.22  379.429 4819.11  380.683 321.241 11.966 309.920 12.445 11.32068       17.26455  
1 1 1 0   -1  13 o 217.889 2.8904 2345.70  62.163  2367.70  87.959  2323.74  87.864  218.785 4.0731 216.741 4.1071 2.044403       5.784357  
1 1 1 0   -1  14 f 185.103 2.2978 1692.36  41.982  1761.82  59.425  1623.16  59.318  188.790 3.1890 181.196 3.3167 7.593506       4.601129  
1 1 1 0   -1  15 o 179.075 2.2445 1583.97  39.673  1590.41  56.176  1577.56  56.035  179.363 3.1731 178.636 3.1780 0.7267609      4.490950  
1 1 1 0   -1  16 o 194.876 7.0252 1890.95  135.130 1865.60  191.089 1916.30  191.117 192.412 10.097 195.070 9.9592 -2.657288      14.18218  
1 1 1 0   -1  17 o 114.458 1.5541 646.856  17.557  700.427  25.167  596.063  24.505  119.078 2.1412 109.843 2.2602 9.234718       3.113457  
1 1 1 0   -1  18 o 52.708  0.9707 137.137  5.0502  146.331  7.4595  129.356  6.8621  54.440  1.3882 51.186  1.3582 3.254410       1.942147  
1 1 1 0   -1  19 o 122.209 1.6129 737.651  19.456  703.543  27.634  771.178  27.397  119.298 2.3468 124.911 2.2221 -5.613525      3.231932  
1 1 1 0   -1  20 o 58.062  1.0604 166.449  6.0772  163.174  8.8355  169.391  8.3722  57.472  1.5575 58.561  1.4484 -1.088501      2.126928  
1 1 1 0   -1  21 o 35.921  2.0890 64.036   7.3749  60.144   8.8068  73.172   13.493  34.756  2.5857 38.211  3.6207 -3.455532      4.449173  
1 1 1 0   -1  22 o 51.124  1.6838 129.195  8.4966  130.155  10.174  126.981  15.448  51.296  2.0093 50.493  3.1149 0.8038254      3.706795  
1 1 1 0   0   1  o 1.3909  0.6413 -0.1647  0.2045  -0.0938  0.3106  -0.2190  0.2717  1.9173  0.8445 1.6031  0.7392 0.3141545      1.122270  
1 1 1 0   0   2  o 202.449 2.4224 2023.43  48.406  2141.79  68.465  1905.13  68.447  208.253 3.3308 196.403 3.5308 11.85014       4.853951  
1 1 1 0   0   3  o 156.904 1.9168 1215.29  29.685  1210.33  41.957  1220.27  42.006  156.564 2.7151 157.206 2.7071 -0.6417694     3.834072  
1 1 1 0   0   4  o 125.448 1.5337 776.808  18.990  765.008  26.868  788.587  26.844  124.479 2.1868 126.383 2.1519 -1.904579      3.068045  
1 1 1 0   0   5  o 66.532  0.7475 218.472  4.9090  226.720  6.9732  210.368  6.9118  67.775  1.0424 65.285  1.0726 2.490013       1.495704  
1 1 1 0   0   6  o 178.181 6.7278 1574.80  118.323 1593.05  167.348 1556.55  167.319 178.511 9.5323 176.421 9.6452 2.089172       13.56073  
1 1 1 0   0   7  o 207.834 2.5169 2132.77  51.632  2237.51  73.045  2028.19  72.992  212.829 3.4772 202.620 3.6497 10.20924       5.040943  
1 1 1 0   0   8  o 422.348 4.7088 8814.56  196.296 8663.81  277.590 8965.34  277.620 418.443 6.7210 425.681 6.6075 -7.237823      9.424985  
1 1 1 0   0   9  o 383.550 5.8276 7273.71  220.619 7356.47  270.172 7108.08  382.210 385.552 7.0994 378.425 10.233 7.126984       12.45429  
1 1 1 0   0   10 o 214.401 7.1566 2276.40  151.449 2262.99  214.193 2289.81  214.168 213.395 10.169 214.665 10.108 -1.269913      14.33813  
1 1 1 0   0   11 o 85.295  1.5350 359.107  12.923  357.173  18.343  361.012  18.209  85.058  2.1849 85.514  2.1573 -0.4561615     3.070435  
1 1 1 0   0   12 o 100.009 1.3146 493.686  12.976  512.170  18.385  475.338  18.318  101.856 1.8288 98.124  1.8913 3.731834       2.630853  
1 1 1 0   0   13 o 175.539 2.1968 1521.65  38.062  1577.36  53.918  1466.30  53.738  178.673 3.0573 172.261 3.1605 6.411469       4.397273  
1 1 1 0   0   14 o 70.470  0.9895 245.116  6.8828  264.493  9.9752  227.508  9.5091  73.197  1.3807 67.886  1.4191 5.310822       1.979964  
1 1 1 0   0   15 o 142.808 1.8407 1007.05  25.946  994.297  36.635  1019.89  36.753  141.859 2.6164 143.675 2.5916 -1.815826      3.682676  
1 1 1 0   0   16 f 77.486  1.1200 296.381  8.5660  285.698  12.093  307.140  12.135  76.068  1.6107 78.872  1.5588 -2.803986      2.241459  
1 1 1 0   0   17 o 43.179  1.6291 92.059   6.9430  92.690   7.0059  57.378   51.926  43.326  1.6382 35.243  12.224 8.083675       12.33304  
1 1 1 0   0   18 o 53.059  0.9892 138.968  5.1808  145.666  8.2917  134.679  6.6354  54.314  1.5467 52.230  1.2871 2.084286       2.012170  
1 1 1 0   0   19 o 96.414  1.4272 459.015  13.582  465.310  19.979  453.605  18.519  97.043  2.0858 95.821  1.9580 1.221664       2.860852  
1 1 1 0   0   20 o 95.034  6.4194 454.324  59.863  449.611  84.166  459.149  85.160  93.606  9.2297 94.599  9.2383 -0.9923096     13.05889  
1 1 1 0   0   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   0   22 o 87.010  6.5636 384.361  55.955  381.560  79.602  387.097  78.670  85.359  9.6155 86.085  9.4121 -0.7256012     13.45532  
1 1 1 0   0   23 o 32.225  2.6907 51.840   8.4802  60.377   16.679  48.864   9.8481  34.347  5.0725 31.197  3.2458 3.149969       6.022087  
1 1 1 0   1   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   1   1  o 265.218 3.1200 3473.40  81.676  3606.05  115.512 3340.77  115.502 270.164 4.3318 260.026 4.5003 10.13849       6.246353  
1 1 1 0   1   2  o 138.013 1.6962 940.194  23.106  974.902  32.684  905.516  32.669  140.526 2.3564 135.431 2.4439 5.094788       3.394892  
1 1 1 0   1   3  o 273.500 3.2145 3694.12  86.778  3736.98  122.726 3651.26  122.718 274.991 4.5215 271.814 4.5741 3.176758       6.431679  
1 1 1 0   1   4  o 343.935 3.9391 5844.84  133.723 5787.45  189.111 5902.22  189.113 342.034 5.6016 345.417 5.5468 -3.382996      7.883255  
1 1 1 0   1   5  o 227.423 2.9614 2554.87  66.477  2548.51  94.014  2561.23  94.011  227.035 4.1954 227.602 4.1847 -0.5669708     5.925626  
1 1 1 0   1   6  o 193.102 2.3515 1841.47  44.819  1848.47  63.388  1834.47  63.379  193.406 3.3205 192.671 3.3327 0.7343445      4.704536  
1 1 1 0   1   7  o 228.457 7.3174 2588.72  165.004 2620.46  233.374 2556.99  233.328 229.291 10.312 226.469 10.438 2.821655       14.67271  
1 1 1 0   1   8  o 198.356 3.2477 1943.04  63.586  1957.06  89.943  1929.03  89.904  199.005 4.5790 197.573 4.6102 1.432220       6.497766  
1 1 1 0   1   9  o 445.687 10.594 9863.89  466.032 9923.67  659.722 9804.34  658.416 445.659 14.998 442.949 15.060 2.709991       21.25378  
1 1 1 0   1   10 o 429.048 4.8774 9097.38  206.549 9116.50  292.099 9078.25  292.110 429.203 6.8950 428.299 6.9098 0.9037170      9.761478  
1 1 1 0   1   11 o 199.867 2.4354 1972.22  48.046  1936.19  67.939  2008.27  67.955  197.992 3.4764 201.647 3.4142 -3.654892      4.872643  
1 1 1 0   1   12 o 29.705  0.9899 43.552   2.9023  37.681   4.5190  47.673   3.7864  27.578  1.6680 31.078  1.2344 -3.500147      2.075032  
1 1 1 0   1   13 o 109.802 1.4338 595.151  15.539  589.852  22.052  600.376  21.899  109.299 2.0441 110.270 2.0120 -0.9714966     2.868205  
1 1 1 0   1   14 o 49.836  0.8494 122.584  4.1782  130.627  6.3491  116.441  5.5492  51.442  1.2504 48.569  1.1575 2.872711       1.703962  
1 1 1 0   1   15 o 128.530 1.6801 815.670  21.314  819.577  30.225  811.804  30.061  128.807 2.3774 128.195 2.3758 0.6121826      3.360978  
1 1 1 0   1   16 o 131.406 1.7095 852.632  22.173  866.336  31.410  839.019  31.306  132.425 2.4030 130.318 2.4338 2.106201       3.420258  
1 1 1 0   1   17 o 203.733 2.5192 2050.91  50.659  2047.15  71.500  2054.69  71.787  203.424 3.5610 203.797 3.5687 -0.3730011     5.041487  
1 1 1 0   1   18 o 176.719 3.3071 1544.78  57.685  1547.16  81.017  1542.34  82.154  176.658 4.6463 176.370 4.7192 0.2883301      6.622624  
1 1 1 0   1   19 o 116.610 6.3559 679.807  72.879  747.482  103.604 613.517  102.538 121.635 8.6865 109.865 9.5507 11.77016       12.91014  
1 1 1 0   1   20 o 63.163  2.2384 197.216  13.955  161.937  53.355  199.807  14.458  55.578  10.098 63.573  2.3041 -7.995583      10.35753  
1 1 1 0   1   21 o 63.086  1.3968 196.583  8.6974  224.136  13.577  177.409  11.326  67.329  2.0430 59.908  1.9155 7.421375       2.800523  
1 1 1 0   1   22 o 41.441  1.6026 84.872   6.5552  89.435   11.577  82.719   7.9530  42.392  2.7822 40.898  1.9702 1.494022       3.409113  
1 1 1 0   1   23 o 123.252 2.0850 751.663  25.364  802.984  31.664  659.754  42.374  127.313 2.5197 115.141 3.7285 12.17233       4.500099  
1 1 1 0   2   0  o 66.397  0.6957 217.580  4.5595  231.479  6.4583  203.768  6.4379  68.484  0.9554 64.254  1.0151 4.229980       1.393997  
1 1 1 0   2   1  o 173.983 2.2378 1494.33  38.430  1511.99  57.503  1480.07  51.661  174.976 3.3295 173.130 3.0231 1.846481       4.497198  
1 1 1 0   2   2  o 173.958 2.1340 1493.87  36.642  1502.85  51.793  1484.87  51.846  174.456 3.0078 173.408 3.0291 1.047485       4.268794  
1 1 1 0   2   3  o 39.111  0.3310 75.493   1.2777  81.167   2.0517  71.900   1.6330  40.554  0.5126 38.169  0.4334 2.385128       0.6712594 
1 1 1 0   2   4  o 253.367 3.2247 3170.61  80.643  3185.24  117.033 3157.38  111.279 253.841 4.6710 252.747 4.4606 1.094009       6.458755  
1 1 1 0   2   5  o 325.027 4.4685 5224.03  143.356 5235.25  192.662 5210.11  214.577 325.116 6.0038 324.191 6.7058 0.9251099      9.000712  
1 1 1 0   2   6  o 105.139 1.2923 545.651  13.411  529.116  18.949  562.250  18.985  103.522 1.8544 106.716 1.8024 -3.193336      2.585995  
1 1 1 0   2   7  o 157.801 6.6013 1234.36  102.819 1270.99  145.420 1197.74  145.396 159.521 9.2758 154.782 9.5639 4.739151       13.32322  
1 1 1 0   2   8  o 159.778 6.5192 1263.57  102.812 1265.82  145.411 1261.32  145.387 159.418 9.2814 159.130 9.2967 0.2870789      13.13671  
1 1 1 0   2   9  o 475.203 5.2663 11162.17 247.014 11223.72 349.343 11100.63 349.318 476.139 7.4334 473.513 7.4741 2.626404       10.54117  
1 1 1 0   2   10 o 50.860  0.7640 127.665  3.8354  126.504  5.5718  128.710  5.2876  50.627  1.1150 51.067  1.0490 -0.4397850     1.530914  
1 1 1 0   2   11 o 605.388 6.7086 18143.92 400.865 18578.84 566.949 17709.12 566.868 611.684 9.3904 597.106 9.6183 14.57831       13.44212  
1 1 1 0   2   12 o 204.913 2.5092 2073.29  50.751  2049.19  71.791  2097.35  71.754  203.667 3.5712 206.049 3.5281 -2.381882      5.020045  
1 1 1 0   2   13 o 241.251 2.9088 2874.98  69.265  2943.19  98.010  2806.92  97.901  243.992 4.0697 238.267 4.1628 5.724991       5.821644  
1 1 1 0   2   14 o 104.589 1.4102 540.001  14.558  560.793  20.788  519.992  20.393  106.569 1.9763 102.618 2.0134 3.951042       2.821200  
1 1 1 0   2   15 o 61.728  0.9755 188.077  5.9435  184.051  8.7424  191.537  8.1045  61.058  1.4506 62.289  1.3182 -1.231178      1.960092  
1 1 1 0   2   16 o 107.179 1.4984 567.149  15.852  557.749  22.479  576.448  22.358  106.265 2.1432 108.034 2.0967 -1.768501      2.998212  
1 1 1 0   2   17 o 220.457 7.2893 2422.57  158.614 2576.66  224.558 2269.15  224.070 226.351 10.051 211.879 10.750 14.47285       14.71650  
1 1 1 0   2   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   2   19 o 135.964 1.8217 913.054  24.447  957.275  34.522  868.565  34.626  139.169 2.5131 132.553 2.6465 6.615921       3.649664  
1 1 1 0   2   20 o 71.002  1.3791 248.939  9.6651  249.618  13.544  248.235  13.796  71.079  1.9306 70.880  1.9720 0.1988220      2.759668  
1 1 1 0   2   21 f 97.921  1.5568 473.674  15.046  488.116  21.447  459.676  21.115  99.355  2.1870 96.414  2.2187 2.940697       3.115412  
1 1 1 0   2   22 o 41.569  1.6428 85.399   6.7402  102.244  10.913  75.008   8.5705  45.380  2.4453 38.870  2.2434 6.510124       3.318484  
1 1 1 0   2   23 o 9.3855  3.8806 1.1940   5.8532  3.7377   9.1953  -0.5387  7.5894  12.366  4.9553 9.9640  4.2828 2.401789       6.549597  
1 1 1 0   3   0  f 323.918 3.7538 5183.01  120.016 5206.48  169.729 5159.54  169.728 324.499 5.2992 323.030 5.3233 1.469086       7.511240  
1 1 1 0   3   1  o 97.438  1.4776 468.625  14.210  471.382  15.970  458.141  31.144  97.723  1.6557 96.316  3.2760 1.407135       3.670587  
1 1 1 0   3   2  o 308.291 3.6050 4694.59  109.699 4716.64  155.095 4672.52  155.180 308.883 5.0871 307.432 5.1139 1.451019       7.213216  
1 1 1 0   3   3  o 349.441 4.0738 6033.26  140.511 6018.34  198.714 6048.18  198.711 348.805 5.7718 349.671 5.7574 -0.8655701     8.152431  
1 1 1 0   3   4  o 429.215 4.8887 9109.32  207.110 9173.97  292.903 9044.67  292.892 430.327 6.8959 427.272 6.9450 3.054962       9.787041  
1 1 1 0   3   5  o 385.845 5.2765 7368.29  200.954 7527.76  270.250 7171.06  300.539 389.569 7.0283 379.941 8.0140 9.628845       10.65933  
1 1 1 0   3   6  o 203.248 7.0049 2050.84  140.527 2022.52  198.711 2079.18  198.759 201.221 10.005 204.053 9.8685 -2.832016      14.05296  
1 1 1 0   3   7  o 239.355 7.4545 2844.29  176.115 2702.90  249.929 2983.73  248.209 232.550 10.889 244.498 10.285 -11.94809      14.97809  
1 1 1 0   3   8  o 266.519 3.1700 3508.14  83.391  3496.69  117.935 3519.60  117.931 265.985 4.4921 266.856 4.4773 -0.8713074     6.342371  
1 1 1 0   3   9  o 167.266 2.3869 1381.22  39.406  1355.33  49.014  1428.54  66.268  165.674 2.9973 170.057 3.9480 -4.382843      4.956856  
1 1 1 0   3   10 o 85.909  1.1155 364.262  9.4593  380.436  13.483  348.583  13.274  87.793  1.5559 84.037  1.6004 3.756096       2.232047  
1 1 1 0   3   11 o 189.309 2.4168 1769.36  45.158  1827.76  60.960  1698.33  67.226  192.378 3.2104 185.422 3.6732 6.956421       4.878406  
1 1 1 0   3   12 o 107.259 1.4148 567.857  14.978  585.972  21.339  550.265  21.029  108.949 1.9844 105.577 2.0180 3.372192       2.830225  
1 1 1 0   3   13 o 46.438  0.9401 106.437  4.3092  112.111  6.8406  102.703  5.5485  47.657  1.4542 45.615  1.2324 2.041992       1.906176  
1 1 1 0   3   14 o 68.975  1.0769 234.831  7.3318  241.808  10.309  227.691  10.429  69.987  1.4924 67.913  1.5558 2.074501       2.155891  
1 1 1 0   3   15 o 67.381  1.1676 224.118  7.7654  204.933  10.667  245.747  11.326  64.425  1.6775 70.550  1.6265 -6.125214      2.336557  
1 1 1 0   3   16 o 167.027 6.8276 1388.24  112.560 1339.52  159.184 1436.97  159.185 163.034 9.9396 169.002 9.5822 -5.968338      13.80631  
1 1 1 0   3   17 o 66.436  2.1383 218.014  14.021  242.730  58.806  216.524  14.438  69.087  8.8252 66.206  2.2094 2.880951       9.097576  
1 1 1 0   3   18 o 278.937 3.3559 3848.70  92.396  3886.24  130.744 3811.25  130.591 279.977 4.7312 277.251 4.7721 2.725586       6.719861  
1 1 1 0   3   19 o 139.227 7.5537 971.998  103.416 983.960  126.984 948.438  178.211 139.531 9.2731 135.206 13.536 4.325104       16.40745  
1 1 1 0   3   20 o 185.429 2.3764 1699.64  43.495  1774.51  61.410  1624.27  61.613  189.331 3.2861 181.112 3.4466 8.219452       4.762090  
1 1 1 0   3   21 o 107.093 1.6711 566.612  17.664  572.507  24.548  560.282  25.437  107.597 2.3114 106.431 2.4213 1.165459       3.347486  
1 1 1 0   3   22 o 145.777 2.1026 1051.10  30.253  1126.88  43.030  977.027  42.543  150.791 2.8911 140.370 3.0706 10.42104       4.217469  
1 1 1 0   3   23 o 20.235  3.7189 21.000   7.1537  21.391   10.117  20.609   10.117  20.276  5.0690 19.910  5.1193 0.3654194      7.204312  
1 1 1 0   3   24 o 57.657  1.8939 164.461  10.778  171.978  14.744  155.833  15.795  58.904  2.5359 55.965  2.8691 2.939163       3.829166  
1 1 1 0   4   0  o 161.017 1.9628 1279.93  31.195  1235.19  44.101  1324.73  44.131  158.152 2.8251 163.787 2.7298 -5.635635      3.928502  
1 1 1 0   4   1  o 377.279 4.3444 7034.64  161.780 7143.77  228.795 6925.52  228.789 379.933 6.1011 374.068 6.1966 5.865143       8.696002  
1 1 1 0   4   2  o 128.802 1.7972 818.938  22.848  829.958  32.331  807.944  32.292  129.650 2.5265 127.919 2.5576 1.731796       3.595047  
1 1 1 0   4   3  o 344.574 4.0210 5867.08  136.756 5929.84  193.412 5804.32  193.394 346.196 5.6601 342.503 5.7206 3.692841       8.047544  
1 1 1 0   4   4  o 365.843 4.5255 6617.36  163.416 6590.14  231.097 6644.58  231.113 364.754 6.4189 366.263 6.3929 -1.509003      9.059355  
1 1 1 0   4   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   4   6  o 141.834 6.3569 997.771  88.993  1017.71  125.874 977.844  125.836 142.615 8.9880 139.743 9.1740 2.872543       12.84317  
1 1 1 0   4   7  o 99.898  1.2525 492.592  12.350  487.724  17.454  497.474  17.477  99.394  1.7791 100.383 1.7639 -0.9888840     2.505314  
1 1 1 0   4   8  o 78.195  1.1641 301.793  8.9849  305.004  11.007  295.381  15.555  78.608  1.4186 77.352  2.0373 1.256226       2.482554  
1 1 1 0   4   9  o 244.348 4.0018 2949.47  96.515  3447.49  255.600 2866.65  104.231 263.529 9.8265 240.870 4.3841 22.65916       10.76015  
1 1 1 0   4   10 f 83.125  1.1005 341.035  9.0292  332.453  12.793  349.554  12.746  82.070  1.5792 84.154  1.5345 -2.084686      2.201946  
1 1 1 0   4   11 o 163.673 2.1285 1322.47  34.386  1318.41  46.293  1327.46  51.360  163.403 2.8703 163.953 3.1737 -0.5498810     4.279133  
1 1 1 0   4   12 o 448.768 5.0232 9957.58  222.504 10007.49 314.696 9907.68  314.640 449.478 7.0933 447.222 7.1278 2.255280       10.05591  
1 1 1 0   4   13 o 198.343 2.4456 1942.63  47.877  2016.65  67.796  1868.99  67.622  202.032 3.3998 194.487 3.5226 7.545181       4.895638  
1 1 1 0   4   14 o 94.987  1.5301 445.412  14.345  448.314  17.442  439.346  25.217  95.289  1.8545 94.308  2.7091 0.9814987      3.283012  
1 1 1 0   4   15 o 194.823 9.9804 1907.68  191.277 1937.22  270.968 1878.33  270.046 194.549 14.209 191.465 14.395 3.083847       20.22655  
1 1 1 0   4   16 f 26.746  3.1479 35.853   8.1511  34.108   8.5458  53.435   27.133  26.042  3.4063 32.121  8.4459 -6.079264      9.106960  
1 1 1 0   4   17 o 239.027 2.8919 2824.20  68.228  2774.37  96.333  2874.36  96.646  236.712 4.1231 240.952 4.0637 -4.239227      5.789092  
1 1 1 0   4   18 o 287.498 3.4050 4088.91  96.624  4267.18  136.791 3911.39  136.504 293.375 4.7239 280.823 4.9247 12.55246       6.824071  
1 1 1 0   4   19 o 237.668 2.9302 2793.18  68.738  2900.51  97.454  2686.91  96.968  241.968 4.0805 232.858 4.2189 9.110428       5.869381  
1 1 1 0   4   20 o 105.688 2.3154 552.061  24.154  546.791  24.978  627.993  94.814  105.176 2.4061 111.341 8.6966 -6.164833      9.023273  
1 1 1 0   4   21 o 76.115  1.5369 286.165  11.546  304.319  16.876  270.190  15.832  78.459  2.1792 73.929  2.1696 4.529739       3.075102  
1 1 1 0   4   22 o 55.762  1.6353 153.654  9.0005  161.263  13.122  146.893  12.369  57.088  2.3288 54.487  2.2998 2.601151       3.272964  
1 1 1 0   4   23 o 109.083 1.7511 588.299  18.854  602.149  26.889  574.904  26.443  110.261 2.4707 107.735 2.4866 2.525818       3.505387  
1 1 1 0   4   24 o 72.346  6.4133 267.219  45.321  254.674  63.825  279.977  64.366  69.225  9.5995 72.857  9.1527 -3.632072      13.26356  
1 1 1 0   5   0  o 115.922 1.4441 663.334  16.523  648.226  23.351  678.485  23.384  114.580 2.0647 117.225 2.0210 -2.644943      2.889210  
1 1 1 0   5   1  o 232.698 2.7921 2674.39  64.129  2743.19  90.700  2605.61  90.684  235.586 3.9005 229.593 4.0016 5.992477       5.588123  
1 1 1 0   5   2  f 478.605 5.4857 11336.96 259.143 11332.14 352.910 11342.60 381.754 477.918 7.4813 477.923 8.0927 -0.5554199E-02 11.02095  
1 1 1 0   5   3  o 225.662 4.2879 2517.69  95.507  2497.63  135.065 2537.75  135.069 224.555 6.0938 226.358 6.0454 -1.802750      8.583782  
1 1 1 0   5   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   5   5  o 256.422 4.0446 3251.44  102.367 3221.76  130.240 3299.41  165.577 255.087 5.1727 257.900 6.5045 -2.812637      8.310605  
1 1 1 0   5   6  o 228.704 2.7836 2583.88  62.838  2595.10  88.878  2572.66  88.854  229.089 3.9306 228.095 3.9466 0.9945831      5.570032  
1 1 1 0   5   7  f 72.100  0.9973 256.578  7.0974  254.332  9.3114  259.692  10.964  71.781  1.3142 72.531  1.5315 -0.7501297     2.018126  
1 1 1 0   5   8  o 39.634  0.7308 77.526   2.8590  75.319   4.0763  79.662   4.0109  39.065  1.0572 40.175  1.0115 -1.110546      1.463102  
1 1 1 0   5   9  o 578.955 6.4375 16584.73 367.872 16720.34 520.248 16449.13 520.250 580.582 9.0785 575.830 9.1534 4.752197       12.89203  
1 1 1 0   5   10 o 185.906 3.4578 1706.88  63.449  0.0000   0.0000  1706.88  63.449  ?       ?      185.906 3.4578 0.000000       3.457792  
1 1 1 0   5   11 o 169.467 2.2322 1417.79  37.338  1427.73  50.332  1405.63  55.681  170.038 2.9989 168.704 3.3438 1.333496       4.491632  
1 1 1 0   5   12 o 143.672 1.8940 1018.97  26.859  1034.34  38.010  1003.64  37.959  144.733 2.6607 142.567 2.6975 2.165741       3.788899  
1 1 1 0   5   13 o 78.726  2.5667 306.066  19.945  448.785  73.669  294.777  20.719  94.745  7.9512 77.258  2.7170 17.48708       8.402576  
1 1 1 0   5   14 o 338.139 8.9399 5700.18  298.373 5758.45  421.997 5641.92  421.929 338.164 12.643 334.656 12.773 3.508179       17.97233  
1 1 1 0   5   15 o 78.789  1.2635 306.437  9.8259  314.696  13.773  297.877  14.022  79.834  1.7479 77.670  1.8290 2.164536       2.529918  
1 1 1 0   5   16 o 202.628 2.5347 2028.68  50.695  2054.25  71.681  2003.10  71.707  203.784 3.5637 201.225 3.6103 2.559021       5.072910  
1 1 1 0   5   17 o 113.306 1.6098 633.917  18.003  661.056  25.443  606.703  25.479  115.679 2.2283 110.817 2.3294 4.862717       3.223557  
1 1 1 0   5   18 o 130.311 1.8256 838.628  23.481  819.504  33.102  857.997  33.314  128.770 2.6044 131.763 2.5615 -2.992584      3.652952  
1 1 1 0   5   19 f 83.731  1.5419 346.189  12.743  351.029  18.460  341.782  17.613  84.290  2.2188 83.175  2.1453 1.114502       3.086336  
1 1 1 0   5   20 o 32.815  2.4575 53.526   7.9020  48.978   10.711  58.959   11.706  31.253  3.5342 34.330  3.5036 -3.077681      4.976533  
1 1 1 0   5   21 o 78.575  1.5507 304.953  12.026  303.949  17.267  305.899  16.760  78.411  2.2311 78.666  2.1585 -0.2554245     3.104329  
1 1 1 0   5   22 o 109.048 2.5494 588.637  27.440  580.344  38.157  597.519  39.489  108.120 3.5755 109.695 3.6472 -1.575157      5.107460  
1 1 1 0   5   23 o 83.649  6.5922 356.171  53.987  338.779  76.091  373.801  76.609  80.110  9.8293 84.449  9.3476 -4.338692      13.56434  
1 1 1 0   5   24 o 53.575  1.8306 141.966  9.6805  138.542  13.576  145.509  13.808  52.865  2.6018 54.180  2.5819 -1.314774      3.665459  
1 1 1 0   6   0  o 101.687 1.2369 510.404  12.415  506.603  17.544  514.217  17.570  101.298 1.7546 102.056 1.7442 -0.7585678     2.474076  
1 1 1 0   6   1  o 129.840 1.6851 832.294  21.595  842.539  32.561  824.249  28.854  130.608 2.5258 129.193 2.2628 1.415253       3.391128  
1 1 1 0   6   2  o 102.909 8.7038 531.154  87.580  497.586  123.831 564.749  123.882 98.587  13.046 105.371 12.133 -6.783699      17.81585  
1 1 1 0   6   3  o 285.933 11.588 4101.53  327.045 4090.43  460.513 4112.82  464.535 282.721 16.575 283.432 16.678 -0.7114868     23.51382  
1 1 1 0   6   4  o 193.910 2.7165 1857.42  51.994  1903.48  86.875  1831.71  64.900  196.141 4.4874 192.511 3.4155 3.629959       5.639360  
1 1 1 0   6   5  o 124.330 1.7304 763.174  21.235  753.329  30.023  773.030  30.039  123.501 2.4630 125.107 2.4326 -1.605713      3.461737  
1 1 1 0   6   6  o 95.068  1.3010 446.130  12.208  458.844  18.588  436.485  16.189  96.402  1.9535 94.028  1.7443 2.373894       2.618947  
1 1 1 0   6   7  o 276.124 3.5207 3767.21  95.954  3616.42  150.992 3869.36  124.276 270.291 5.6597 279.739 4.5009 -9.447845      7.231187  
1 1 1 0   6   8  o 166.815 2.1003 1373.76  34.582  1377.19  48.914  1370.33  48.900  166.997 2.9675 166.580 2.9740 0.4165039      4.201326  
1 1 1 0   6   9  o 352.112 4.2385 6125.68  147.307 6252.93  208.257 5998.27  208.391 355.559 5.9341 348.227 6.0630 7.332520       8.483679  
1 1 1 0   6   10 o 332.382 4.8276 5460.13  158.379 5499.35  223.952 5420.88  224.011 333.336 6.8067 330.943 6.8578 2.393524       9.662345  
1 1 1 0   6   11 o 383.124 9.5986 7288.86  362.978 7281.37  513.376 7296.34  513.280 381.739 13.625 382.137 13.608 -0.3981018     19.25680  
1 1 1 0   6   12 o 88.088  6.1169 385.871  52.854  398.897  74.776  372.865  74.718  89.247  8.5949 86.209  8.9094 3.038345       12.37938  
1 1 1 0   6   13 o 52.934  6.3097 140.769  32.317  143.018  45.924  138.563  45.484  52.882  9.1283 52.019  9.1949 0.8624306      12.95657  
1 1 1 0   6   14 o 72.534  1.1988 259.697  8.5829  273.334  12.043  245.620  12.236  74.408  1.6397 70.533  1.7575 3.874878       2.403672  
1 1 1 0   6   15 o 173.852 2.5727 1493.23  44.148  1530.65  62.297  1455.48  62.573  175.928 3.5876 171.544 3.6955 4.384811       5.150502  
1 1 1 0   6   16 o 178.484 2.3644 1573.82  41.654  1534.32  61.824  1606.66  56.368  176.114 3.5565 180.262 3.1681 -4.147934      4.762953  
1 1 1 0   6   17 o 65.223  1.3359 210.023  8.6005  196.391  11.755  225.727  12.617  63.060  1.8885 67.606  1.8908 -4.545937      2.672366  
1 1 1 0   6   18 o 179.970 2.3206 1600.30  41.222  1648.00  58.305  1552.64  58.289  182.533 3.2362 177.161 3.3334 5.372009       4.645898  
1 1 1 0   6   19 o 147.076 2.0595 1068.61  29.898  1074.37  41.929  1062.65  42.645  147.402 2.8819 146.589 2.9474 0.8125763      4.122159  
1 1 1 0   6   20 o 61.236  1.6222 185.191  9.8048  183.541  14.032  186.764  13.705  60.939  2.3329 61.475  2.2587 -0.5356331     3.247215  
1 1 1 0   6   21 o 225.149 7.4372 2548.68  165.277 2688.74  233.967 2409.17  233.508 229.293 10.338 216.327 10.972 12.96658       15.07496  
1 1 1 0   6   22 o 45.759  6.7091 107.524  29.402  95.201   41.564  119.868  41.598  42.154  10.118 47.656  9.1763 -5.502010      13.65937  
1 1 1 0   6   23 o 117.717 1.8704 685.291  21.732  698.484  30.950  672.462  30.521  118.723 2.6412 116.488 2.6545 2.234978       3.744641  
1 1 1 0   6   24 o 13.375  4.5812 8.2172   7.2831  3.0383   10.824  12.502   9.8452  12.953  5.3077 16.121  5.3245 -3.167633      7.518106  
1 1 1 0   6   25 o 22.286  4.2611 25.663   9.0315  30.215   14.410  22.718   11.591  23.942  6.0847 20.837  5.5400 3.105005       8.228954  
1 1 1 0   7   0  o 142.957 3.1918 1009.59  45.037  996.674  48.129  1100.56  127.716 142.028 3.4332 148.526 8.7505 -6.497284      9.399883  
1 1 1 0   7   1  o 45.789  6.0902 105.708  26.842  114.424  37.725  96.771   38.201  47.277  8.3916 43.270  9.2262 4.007267       12.47167  
1 1 1 0   7   2  o 146.935 6.4449 1070.81  93.471  1036.83  133.040 1103.92  131.352 143.883 9.4198 148.576 8.9993 -4.693008      13.02771  
1 1 1 0   7   3  o 249.574 3.1753 3077.82  78.220  3137.05  110.613 3018.58  110.626 251.812 4.4504 247.000 4.5376 4.812317       6.355770  
1 1 1 0   7   4  o 109.257 1.5510 589.289  16.726  575.558  23.682  602.952  23.625  107.960 2.2224 110.501 2.1661 -2.540985      3.103379  
1 1 1 0   7   5  o 183.307 2.4790 1659.46  44.852  1689.15  63.424  1629.76  63.437  184.878 3.4757 181.594 3.5392 3.283768       4.960470  
1 1 1 0   7   6  o 96.410  1.2164 458.792  11.575  470.587  16.429  447.165  16.311  97.635  1.7048 95.173  1.7364 2.461349       2.433365  
1 1 1 0   7   7  o 207.842 2.5449 2133.01  52.207  2174.04  73.914  2092.15  73.750  209.780 3.5697 205.787 3.6309 3.992401       5.091756  
1 1 1 0   7   8  o 81.447  1.2300 327.418  9.8882  351.261  17.126  315.494  12.111  84.353  2.0569 79.948  1.5348 4.404793       2.566369  
1 1 1 0   7   9  o 165.548 2.1625 1352.94  35.335  1379.35  47.658  1320.71  52.657  167.137 2.8889 163.533 3.2623 3.603668       4.357544  
1 1 1 0   7   10 o 152.483 2.2045 1147.84  33.180  1165.64  46.915  1130.03  46.931  153.637 3.0937 151.270 3.1432 2.366974       4.410320  
1 1 1 0   7   11 o 532.818 12.134 14149.60 638.120 13807.06 902.299 14492.36 902.576 523.586 17.459 536.680 17.039 -13.09357      24.39562  
1 1 1 0   7   12 o 279.845 8.0296 3884.84  221.792 3997.41  313.705 3772.34  313.617 283.178 11.224 275.009 11.554 8.169067       16.10760  
1 1 1 0   7   13 o 57.067  1.2915 160.747  7.2746  165.605  10.127  155.567  10.456  57.918  1.7715 56.134  1.8872 1.784027       2.588392  
1 1 1 0   7   14 o 32.452  1.0544 51.981   3.3775  50.479   7.6607  52.343   3.7630  31.875  2.4538 32.564  1.1707 -0.6894836     2.718778  
1 1 1 0   7   15 o 122.034 1.6959 735.316  20.428  741.487  28.991  729.231  28.789  122.516 2.3974 121.499 2.4006 1.016861       3.392692  
1 1 1 0   7   16 o 145.672 1.9490 1048.03  28.024  1072.44  39.730  1023.86  39.534  147.307 2.7325 143.928 2.7829 3.378632       3.900141  
1 1 1 0   7   17 o 146.569 2.3792 1061.44  34.420  1102.83  54.795  1034.47  44.236  149.273 3.7190 144.636 3.0986 4.636978       4.840707  
1 1 1 0   7   18 o 44.060  1.4196 95.850   6.1739  100.501  8.0568  89.234   9.6094  45.110  1.8095 42.435  2.3029 2.675735       2.928735  
1 1 1 0   7   19 o 64.872  1.5753 207.817  10.087  223.628  14.456  192.814  14.082  67.277  2.1769 62.466  2.2839 4.810307       3.155174  
1 1 1 0   7   20 o 172.178 6.8507 1481.84  116.425 1460.45  165.438 1502.83  163.873 169.483 9.9329 172.053 9.6891 -2.570053      13.87591  
1 1 1 0   7   21 o 66.579  2.7242 219.316  17.902  350.764  63.370  207.915  18.662  83.107  7.8172 64.814  2.9172 18.29301       8.343779  
1 1 1 0   7   22 o 86.405  3.0791 370.019  26.260  346.815  27.665  581.253  83.470  83.619  3.3519 106.737 7.9806 -23.11797      8.655913  
1 1 1 0   7   23 o 43.845  1.5561 95.010   6.7344  94.919   7.9377  95.245   12.722  43.812  1.8356 43.718  2.9657 0.9395981E-01  3.487811  
1 1 1 0   7   24 o 20.226  1.7011 20.372   3.3646  37.329   11.933  18.907   3.5069  26.935  4.6570 19.463  1.8476 7.471220       5.010087  
1 1 1 0   7   25 o 73.814  1.7964 269.584  13.088  257.287  18.681  281.441  18.344  72.007  2.6284 75.335  2.4669 -3.328506      3.604719  
1 1 1 0   8   0  o 338.916 8.8914 5699.31  297.438 5720.47  420.627 5678.16  420.655 338.634 12.584 337.366 12.633 1.268433       17.83116  
1 1 1 0   8   1  o 193.877 3.8043 1857.11  72.800  1835.67  79.199  1973.94  184.867 192.734 4.1632 199.319 9.3967 -6.585770      10.27768  
1 1 1 0   8   2  o 249.825 2.9810 3082.52  73.508  2999.97  103.933 3165.14  103.980 246.358 4.2742 253.059 4.1629 -6.700943      5.966430  
1 1 1 0   8   3  o 195.297 2.3895 1883.32  46.061  1937.29  65.161  1829.43  65.119  198.026 3.3338 192.428 3.4285 5.597626       4.782109  
1 1 1 0   8   4  o 422.955 4.9783 8848.90  207.831 8892.84  282.965 8797.45  306.248 423.591 6.7679 421.148 7.3673 2.442932       10.00403  
1 1 1 0   8   5  o 150.996 1.9133 1125.56  28.516  1128.63  40.336  1122.50  40.320  151.178 2.7032 150.766 2.7094 0.4113770      3.827281  
1 1 1 0   8   6  o 210.314 3.1077 2184.57  64.511  2247.97  91.240  2121.19  91.225  213.267 4.3344 207.157 4.4615 6.110123       6.220297  
1 1 1 0   8   7  o 184.599 2.4948 1682.50  45.457  1668.60  64.272  1696.41  64.298  183.794 3.5429 185.321 3.5151 -1.526764      4.990822  
1 1 1 0   8   8  o 304.669 3.6100 4584.94  108.558 4616.92  153.540 4552.98  153.509 305.600 5.0902 303.473 5.1249 2.127136       7.223180  
1 1 1 0   8   9  o 124.070 1.7872 759.842  21.886  756.493  31.220  763.078  30.690  123.782 2.5553 124.321 2.5010 -0.5387039     3.575522  
1 1 1 0   8   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   8   11 o 501.778 11.612 12541.65 575.104 12485.50 813.351 12597.80 813.289 498.293 16.537 500.572 16.461 -2.278717      23.33297  
1 1 1 0   8   12 o 223.304 2.9605 2462.77  65.251  2456.69  92.275  2468.84  92.283  222.944 4.1933 223.495 4.1833 -0.5514984     5.923177  
1 1 1 0   8   13 o 173.721 3.0459 1490.91  52.227  1431.03  54.975  2045.35  167.283 170.183 3.2728 202.801 8.3570 -32.61826      8.974957  
1 1 1 0   8   14 o 65.968  1.2851 214.820  8.3679  208.369  11.855  221.225  11.813  64.962  1.8489 66.937  1.7880 -1.975174      2.571995  
1 1 1 0   8   15 o 138.214 1.9740 943.417  26.929  960.721  36.440  922.597  39.972  139.438 2.6477 136.623 2.9641 2.815704       3.974459  
1 1 1 0   8   16 o 52.572  1.3521 136.448  7.0159  141.131  9.7304  131.377  10.125  53.458  1.8441 51.575  1.9890 1.883286       2.712353  
1 1 1 0   8   17 o 44.715  1.6378 98.734   7.2286  101.944  10.611  95.955   9.8741  45.360  2.3784 44.011  2.2809 1.348869       3.295308  
1 1 1 0   8   18 o 18.624  1.0592 17.177   1.9389  16.934   9.4328  17.188   1.9812  18.207  5.0644 18.628  1.0822 -0.4205132     5.178779  
1 1 1 0   8   19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   8   20 o 74.952  2.0871 277.587  15.440  285.386  22.537  270.690  21.195  75.947  3.0065 73.972  2.9029 1.974960       4.179232  
1 1 1 0   8   21 o 33.157  2.5718 54.705   8.3509  60.345   12.073  49.532   11.563  34.710  3.5752 31.375  3.8122 3.335272       5.226359  
1 1 1 0   8   22 o 61.380  1.7735 186.200  10.745  187.688  15.321  184.760  15.073  61.580  2.5206 61.100  2.4993 0.4805832      3.549639  
1 1 1 0   8   23 o 36.882  2.5608 67.716   9.2644  83.676   13.605  53.916   12.651  40.896  3.4012 32.658  4.0088 8.238422       5.257298  
1 1 1 0   8   24 o 69.003  1.7827 235.515  12.142  225.873  17.408  244.648  16.943  67.488  2.6134 70.258  2.4432 -2.770401      3.577557  
1 1 1 0   8   25 f 34.789  2.5218 60.345   8.6006  66.887   11.754  52.807   12.618  36.510  3.2973 32.255  4.0528 4.254574       5.224673  
1 1 1 0   9   0  o 358.875 4.2358 6363.15  150.041 6410.55  203.959 6307.24  221.506 360.042 5.7393 357.057 6.2851 2.985443       8.511308  
1 1 1 0   9   1  o 290.532 3.5739 4169.15  102.488 4159.81  139.045 4180.26  151.656 290.106 4.8558 290.778 5.2840 -0.6716614     7.176363  
1 1 1 0   9   2  o 247.665 3.2088 3029.24  78.441  2941.80  124.111 3087.40  101.221 243.931 5.1548 249.976 4.1024 -6.045380      6.587993  
1 1 1 0   9   3  o 200.900 2.4521 1992.72  48.623  2018.51  68.772  1966.94  68.755  202.154 3.4466 199.553 3.4907 2.600922       4.905547  
1 1 1 0   9   4  o 344.856 4.5003 5877.71  153.185 6038.91  199.801 5647.83  238.599 349.387 5.7937 337.672 7.1588 11.71530       9.209543  
1 1 1 0   9   5  o 284.985 3.6838 4012.01  103.621 4014.22  142.652 4009.55  150.770 284.940 5.0721 284.744 5.3645 0.1961670      7.382673  
1 1 1 0   9   6  o 23.701  1.4028 27.823   3.2671  21.204   4.6619  34.211   4.5798  20.592  2.3350 26.266  1.7770 -5.673962      2.934262  
1 1 1 0   9   7  o 302.957 3.8499 4534.17  115.125 4601.16  162.887 4467.31  162.735 305.039 5.4100 300.561 5.4855 4.478210       7.704472  
1 1 1 0   9   8  o 25.413  3.4264 32.475   8.3755  37.927   11.865  27.059   11.825  27.338  4.5575 22.937  5.3255 4.401016       7.009357  
1 1 1 0   9   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   9   10 o 155.047 2.0384 1186.76  31.195  1193.68  44.131  1179.84  44.102  155.475 2.8758 154.570 2.8906 0.9043884      4.077484  
1 1 1 0   9   11 o 66.967  1.3526 221.354  8.9406  224.515  12.594  218.143  12.694  67.439  1.8920 66.474  1.9347 0.9643402      2.706101  
1 1 1 0   9   12 o 194.492 2.7919 1868.22  53.596  1863.41  89.229  1870.94  67.036  194.113 4.6571 194.593 3.4902 -0.4797058     5.819808  
1 1 1 0   9   13 o 272.404 3.6773 3668.12  98.873  3647.47  162.676 3680.22  124.509 271.253 6.0760 272.723 4.6254 -1.470642      7.636183  
1 1 1 0   9   14 o 224.951 3.0441 2500.89  67.589  2575.74  93.590  2419.30  97.714  228.154 4.1559 221.070 4.4781 7.083481       6.109425  
1 1 1 0   9   15 o 70.612  1.3493 246.153  9.4040  263.551  13.236  228.419  13.363  73.054  1.8356 68.007  1.9908 5.047050       2.707900  
1 1 1 0   9   16 o 110.702 1.6522 605.157  18.053  601.721  25.597  608.557  25.466  110.355 2.3499 110.982 2.3247 -0.6265335     3.305556  
1 1 1 0   9   17 o 159.806 2.3046 1261.86  36.352  1289.19  51.456  1234.62  51.364  161.434 3.2293 157.973 3.2941 3.460861       4.612980  
1 1 1 0   9   18 f 103.350 6.2557 533.984  63.514  559.582  89.911  508.487  89.734  105.179 8.7398 100.100 9.1845 5.078880       12.67831  
1 1 1 0   9   19 o 33.609  1.5842 55.781   5.2553  74.644   11.792  51.106   5.8705  38.718  3.1118 32.112  1.8601 6.606396       3.625411  
1 1 1 0   9   20 o 51.351  1.3918 130.209  7.0544  140.654  9.2557  115.732  10.897  53.362  1.7573 48.389  2.2815 4.972935       2.879853  
1 1 1 0   9   21 o 74.870  1.8253 276.968  13.489  270.363  17.392  286.938  21.368  73.941  2.3830 76.141  2.8432 -2.200432      3.709787  
1 1 1 0   9   22 o 69.128  1.7586 236.178  11.999  232.272  17.137  239.936  16.808  68.501  2.5345 69.629  2.4456 -1.128128      3.522020  
1 1 1 0   9   23 o 72.199  2.5290 258.268  18.023  0.0000   0.0000  258.268  18.023  ?       ?      72.199  2.5290 0.000000       2.529031  
1 1 1 0   9   24 o 36.707  2.5898 67.155   9.3231  56.060   13.406  77.547   12.974  33.238  4.1785 39.333  3.3746 -6.094746      5.371052  
1 1 1 0   9   25 o 41.279  3.0068 85.163   12.167  83.015   14.257  90.920   23.341  40.643  3.5908 41.982  5.7865 -1.338867      6.810060  
1 1 1 0   10  0  o 204.345 2.6697 2061.75  53.848  2003.45  76.104  2120.21  76.200  201.384 3.8287 207.174 3.7264 -5.790405      5.342728  
1 1 1 0   10  1  o 342.441 4.1880 5793.92  141.556 5831.44  200.189 5756.40  200.192 343.354 5.9070 341.133 5.9455 2.221283       8.381029  
1 1 1 0   10  2  o 109.643 1.9410 593.437  21.006  697.284  95.504  588.157  21.534  118.322 8.2287 109.154 1.9987 9.168449       8.467942  
1 1 1 0   10  3  o 93.314  1.3503 429.779  12.437  438.089  15.547  415.010  20.726  94.208  1.6719 91.686  2.2903 2.522377       2.835601  
1 1 1 0   10  4  o 95.383  1.3997 449.062  13.178  441.559  18.688  456.482  18.585  94.577  2.0020 96.162  1.9580 -1.585403      2.800314  
1 1 1 0   10  5  o 106.200 1.3885 556.682  14.555  519.217  20.508  594.707  20.660  102.556 2.0259 109.761 1.9070 -7.204269      2.782279  
1 1 1 0   10  6  o 115.710 1.6055 660.875  18.337  701.741  27.698  628.991  24.466  119.222 2.3538 112.876 2.1960 6.346199       3.219109  
1 1 1 0   10  7  o 425.657 10.303 9007.08  432.889 8881.33  611.793 9133.17  612.604 421.088 14.720 427.096 14.532 -6.007904      20.68439  
1 1 1 0   10  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   10  9  o 118.567 1.6666 693.936  19.504  695.833  27.808  692.100  27.363  118.716 2.3732 118.398 2.3415 0.3181992      3.333858  
1 1 1 0   10  10 o 140.870 2.1004 979.654  29.205  1019.68  39.320  930.391  43.619  143.703 2.7721 137.254 3.2197 6.449005       4.248668  
1 1 1 0   10  11 o 162.177 2.1412 1298.56  34.276  1326.95  48.589  1270.44  48.358  163.908 3.0033 160.377 3.0549 3.530350       4.283952  
1 1 1 0   10  12 o 238.924 3.0171 2820.04  71.152  2804.41  105.342 2833.14  96.487  238.118 4.4820 239.380 4.0837 -1.261337      6.063417  
1 1 1 0   10  13 o 199.549 2.5261 1966.89  49.754  1977.56  70.426  1956.25  70.299  200.003 3.5675 198.921 3.5804 1.081696       5.054376  
1 1 1 0   10  14 o 231.191 3.7622 2644.09  85.851  3340.46  238.938 2540.86  91.994  258.266 9.3731 226.580 4.1134 31.68591       10.23601  
1 1 1 0   10  15 o 115.320 1.6766 656.682  19.084  653.746  27.088  659.576  26.892  115.029 2.3858 115.542 2.3580 -0.5132523     3.354439  
1 1 1 0   10  16 o 65.870  1.9124 214.309  12.434  213.809  16.523  214.961  18.881  65.773  2.5451 65.936  2.9011 -0.1625824     3.859249  
1 1 1 0   10  17 o 116.715 6.3332 680.649  72.687  704.083  102.924 657.332  102.665 118.018 8.9011 113.915 9.2096 4.103195       12.80808  
1 1 1 0   10  18 o 44.582  1.0453 98.118   4.5996  99.660   6.5138  96.585   6.4960  44.925  1.4690 44.226  1.4881 0.6989861      2.091004  
1 1 1 0   10  19 o 32.211  2.6018 51.633   8.2013  52.959   12.745  50.696   10.714  32.433  4.0711 31.811  3.4684 0.6220074      5.348206  
1 1 1 0   10  20 o 86.629  1.6319 370.670  13.954  370.619  20.551  370.713  19.006  86.581  2.4048 86.604  2.2235 -0.2221680E-01 3.275182  
1 1 1 0   10  21 o 194.608 2.7100 1874.19  52.054  1877.54  73.297  1870.77  73.940  194.521 3.8175 194.159 3.8582 0.3621368      5.427654  
1 1 1 0   10  22 o 13.832  4.7429 8.7322   7.8066  10.491   11.282  7.1163   10.814  15.760  5.6768 14.340  5.4809 1.419290       7.890926  
1 1 1 0   10  23 o 87.532  2.0471 379.144  17.687  398.806  30.298  368.981  21.783  89.557  3.4276 86.286  2.5577 3.271004       4.276669  
1 1 1 0   10  24 o 111.382 7.6603 642.711  83.705  643.337  103.253 641.513  142.962 109.972 9.6089 105.703 14.051 4.269142       17.02212  
1 1 1 0   10  25 o 80.611  6.5331 334.459  51.534  327.922  72.567  341.110  73.198  77.998  9.6304 79.656  9.4972 -1.657562      13.52558  
1 1 1 0   11  0  o 172.141 2.1118 1462.93  35.882  1403.92  50.684  1522.21  50.806  168.603 3.0456 175.567 2.9318 -6.964081      4.227448  
1 1 1 0   11  1  o 188.097 2.2759 1746.71  42.255  1721.84  59.761  1771.57  59.753  186.719 3.2426 189.398 3.1963 -2.679031      4.553157  
1 1 1 0   11  2  o 136.373 1.8638 918.057  25.087  941.050  37.777  899.917  33.554  138.049 2.7724 135.005 2.5181 3.044235       3.745264  
1 1 1 0   11  3  o 141.803 2.6350 992.870  36.881  0.0000   0.0000  992.870  36.881  ?       ?      141.803 2.6350 0.000000       2.635041  
1 1 1 0   11  4  o 420.952 6.0967 8768.38  253.314 8841.26  358.228 8695.48  358.252 422.147 8.5973 418.633 8.6701 3.513458       12.20999  
1 1 1 0   11  5  o 198.751 2.7491 1950.55  53.931  1965.65  80.851  1938.45  72.388  199.452 4.1069 198.090 3.7023 1.361801       5.529356  
1 1 1 0   11  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   11  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   11  8  o 531.354 6.1258 13975.31 321.275 14161.64 454.455 13789.14 454.247 534.108 8.6204 526.996 8.7328 7.111694       12.27081  
1 1 1 0   11  9  o 62.746  1.3077 194.328  8.0990  210.723  11.981  180.533  10.990  65.334  1.8579 60.473  1.8413 4.860821       2.615726  
1 1 1 0   11  10 o 192.625 2.6215 1832.33  49.843  1860.95  70.501  1803.73  70.476  194.065 3.6805 191.054 3.7373 3.010712       5.245329  
1 1 1 0   11  11 o 426.726 4.8176 9008.98  202.915 9105.03  287.058 8913.05  286.873 428.475 6.7875 423.912 6.8561 4.562225       9.647656  
1 1 1 0   11  12 f 177.151 2.3568 1549.89  41.209  1590.25  56.075  1502.49  60.765  179.391 3.1669 174.343 3.5311 5.047577       4.743221  
1 1 1 0   11  13 o 72.098  1.3560 256.608  9.6499  264.748  14.345  249.880  13.042  73.220  1.9849 71.137  1.8574 2.082901       2.718429  
1 1 1 0   11  14 o 189.486 2.7811 1774.56  52.015  1888.05  74.030  1663.90  73.099  195.323 3.8399 183.336 4.0395 11.98756       5.573367  
1 1 1 0   11  15 o 147.088 7.5958 1083.86  109.900 1118.65  190.200 1066.43  134.653 147.258 13.227 145.311 9.4394 1.947189       16.24964  
1 1 1 0   11  16 o 15.172  5.8258 7.6424   12.253  6.7953   16.362  8.7239   18.488  16.565  6.6200 17.863  7.0692 -1.297560      9.684911  
1 1 1 0   11  17 o 37.858  1.2252 70.761   4.5781  84.042   6.4828  57.547   6.4661  41.253  1.5921 34.077  1.9303 7.176163       2.502208  
1 1 1 0   11  18 o 137.121 1.9942 928.912  26.990  950.387  38.505  908.172  37.841  138.624 2.8142 135.508 2.8292 3.115311       3.990497  
1 1 1 0   11  19 f 51.340  1.3103 130.145  6.6398  128.801  9.4765  131.441  9.3060  51.060  1.8803 51.583  1.8278 -0.5221558     2.622296  
1 1 1 0   11  20 f 41.068  2.2131 83.610   8.9378  84.018   13.412  83.285   11.988  41.051  3.3389 40.912  2.9893 0.1393204      4.481596  
1 1 1 0   11  21 o 86.350  1.7056 368.407  14.537  376.041  20.646  360.899  20.473  87.191  2.3990 85.415  2.4283 1.775833       3.413492  
1 1 1 0   11  22 o 95.332  1.7500 449.225  16.467  440.988  22.594  458.557  24.049  94.386  2.4253 96.234  2.5318 -1.848785      3.505971  
1 1 1 0   11  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   11  24 o 49.803  6.9599 129.389  33.278  132.640  47.453  126.242  46.682  49.081  10.131 47.822  10.201 1.258602       14.37708  
1 1 1 0   11  25 o 34.871  4.4144 61.992   14.854  58.719   17.874  69.296   26.702  33.609  5.5842 35.878  7.7654 -2.269382      9.564777  
1 1 1 0   12  0  o 57.945  0.8880 165.721  5.0791  173.335  7.1198  157.830  7.2478  59.260  1.2172 56.547  1.2986 2.713093       1.779865  
1 1 1 0   12  1  o 128.788 1.6411 818.772  20.861  785.396  29.420  852.524  29.585  126.119 2.3634 131.401 2.2811 -5.281509      3.284651  
1 1 1 0   12  2  o 164.729 2.0523 1339.68  33.370  1349.81  47.146  1329.51  47.238  165.321 2.8892 164.073 2.9169 1.248886       4.105592  
1 1 1 0   12  3  o 76.049  1.2903 285.464  9.6850  287.679  13.017  282.718  14.495  76.339  1.7276 75.676  1.9406 0.6635361      2.598150  
1 1 1 0   12  4  o 227.002 7.3350 2552.69  164.347 2480.85  232.100 2624.93  232.745 223.341 10.529 229.779 10.262 -6.438080      14.70253  
1 1 1 0   12  5  o 202.319 7.0284 2027.07  140.355 2078.60  198.829 1975.88  198.158 204.538 9.8486 199.133 10.115 5.404846       14.11760  
1 1 1 0   12  6  o 63.705  1.2186 200.308  7.6628  191.215  10.797  209.535  10.877  62.239  1.7576 65.153  1.6913 -2.913906      2.439225  
1 1 1 0   12  7  o 217.516 2.6721 2336.44  57.368  2298.73  81.157  2374.10  81.106  215.685 3.8122 219.197 3.7487 -3.511993      5.346542  
1 1 1 0   12  8  f 219.081 2.7070 2370.29  58.536  2395.95  82.949  2344.84  82.618  220.191 3.8166 217.828 3.8426 2.362900       5.415910  
1 1 1 0   12  9  o 237.327 3.2994 2782.67  77.289  2791.10  109.334 2774.26  109.272 237.559 4.6629 236.840 4.6743 0.7187958      6.602408  
1 1 1 0   12  10 o 352.861 4.3630 6157.90  151.958 6248.88  215.031 6067.13  214.773 355.091 6.1352 349.868 6.2193 5.222443       8.736151  
1 1 1 0   12  11 o 114.993 1.6626 652.831  18.871  678.682  27.088  628.455  26.304  117.227 2.3411 112.805 2.3624 4.421860       3.325877  
1 1 1 0   12  12 o 142.626 1.9693 1004.53  27.723  1015.74  39.506  993.654  38.914  143.377 2.7916 141.810 2.7802 1.566711       3.939817  
1 1 1 0   12  13 o 68.731  1.3294 233.212  9.0188  230.965  12.967  235.317  12.552  68.387  1.9210 69.031  1.8423 -0.6431961     2.661590  
1 1 1 0   12  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   12  15 o 175.346 6.8579 1534.36  118.692 1521.68  169.017 1546.69  166.718 173.314 9.9214 174.836 9.6990 -1.521622      13.87456  
1 1 1 0   12  16 o 76.723  2.1294 290.845  16.125  280.506  16.576  473.451  69.662  75.343  2.2289 97.019  7.3286 -21.67561      7.660060  
1 1 1 0   12  17 o 119.984 1.8110 711.112  21.447  752.760  30.788  671.845  29.894  123.396 2.5278 116.570 2.5981 6.826157       3.624928  
1 1 1 0   12  18 o 149.438 2.2258 1103.68  32.830  1146.29  46.344  1060.75  46.514  152.196 3.0850 146.389 3.2192 5.806763       4.458738  
1 1 1 0   12  19 o 66.815  1.5766 220.491  10.398  242.897  17.043  207.206  13.123  70.089  2.4635 64.753  2.0532 5.335205       3.206977  
1 1 1 0   12  20 o 147.579 2.2600 1076.81  32.920  1138.59  46.785  1016.22  46.332  151.629 3.1260 143.224 3.2774 8.404434       4.529157  
1 1 1 0   12  21 o 166.569 2.3769 1372.59  39.078  1420.70  53.825  1318.98  56.827  169.291 3.2212 163.045 3.5311 6.246048       4.779632  
1 1 1 0   12  22 o 174.334 6.9496 1540.10  119.584 1550.81  168.967 1529.35  169.270 172.333 9.9761 171.044 10.071 1.289459       14.17539  
1 1 1 0   12  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   12  24 o 38.822  3.1916 75.531   12.121  74.299   17.231  76.739   17.055  38.172  4.6707 38.837  4.5344 -0.6651382     6.509692  
1 1 1 0   12  25 o 72.331  2.7709 260.120  19.782  250.017  23.456  285.009  36.816  70.791  3.3569 74.934  5.0065 -4.143517      6.027779  
1 1 1 0   13  0  o 314.418 3.6398 4887.93  112.960 4891.29  159.740 4884.57  159.758 314.234 5.1502 314.018 5.1544 0.2166443      7.286459  
1 1 1 0   13  1  o 185.743 2.3195 1703.82  42.525  1719.54  60.137  1688.10  60.141  186.536 3.2663 184.820 3.2968 1.715408       4.640804  
1 1 1 0   13  2  o 188.901 2.9294 1762.81  54.620  1646.87  96.638  1817.23  66.210  182.371 5.3686 191.755 3.4982 -9.383606      6.407701  
1 1 1 0   13  3  o 235.250 7.4596 2747.65  173.211 2775.68  244.997 2719.64  244.918 235.750 10.529 233.330 10.634 2.419876       14.96484  
1 1 1 0   13  4  o 122.857 6.4606 750.168  78.069  726.311  109.189 775.119  111.664 120.435 9.2561 124.458 9.1541 -4.022148      13.01819  
1 1 1 0   13  5  o 247.232 7.6099 3034.41  185.702 3093.88  262.753 2975.07  262.492 248.930 10.694 244.050 10.897 4.880417       15.26771  
1 1 1 0   13  6  o 164.810 2.3074 1341.24  37.536  1345.30  53.202  1337.23  52.966  165.013 3.2665 164.518 3.2617 0.4953003      4.616134  
1 1 1 0   13  7  o 345.346 4.1555 5896.81  141.650 5914.75  200.298 5878.86  200.348 345.553 5.8726 344.499 5.8920 1.053894       8.318844  
1 1 1 0   13  8  o 102.563 1.6231 519.302  16.432  508.663  23.113  530.174  23.364  101.492 2.3073 103.616 2.2845 -2.124397      3.246917  
1 1 1 0   13  9  o 73.794  1.4085 268.816  10.259  288.632  14.442  248.633  14.575  76.458  1.9137 70.959  2.0810 5.498299       2.827192  
1 1 1 0   13  10 o 314.817 3.8761 4901.65  120.445 5051.25  170.525 4752.73  170.145 319.263 5.4114 309.648 5.5669 9.614777       7.763608  
1 1 1 0   13  11 o 82.627  1.4622 337.050  11.925  338.283  16.871  335.819  16.858  82.764  2.0653 82.461  2.0712 0.3020859      2.924959  
1 1 1 0   13  12 o 21.496  1.3588 22.904   2.8683  22.757   9.9159  22.918   2.9964  21.010  4.8757 21.498  1.4201 -0.4884224     5.078290  
1 1 1 0   13  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   13  14 o 68.710  1.9118 233.195  12.965  239.834  18.360  226.589  18.312  69.652  2.6705 67.699  2.7405 1.953667       3.826474  
1 1 1 0   13  15 o 59.923  1.3125 177.292  7.7628  184.167  10.363  168.500  11.718  61.064  1.7193 58.400  2.0329 2.663990       2.662449  
1 1 1 0   13  16 o 66.514  1.4821 218.472  9.7300  221.346  14.979  216.374  12.797  66.923  2.2677 66.179  1.9591 0.7440948      2.996781  
1 1 1 0   13  17 o 89.588  1.9056 396.521  16.850  387.531  20.743  413.960  28.892  88.541  2.3736 91.450  3.2008 -2.908134      3.984875  
1 1 1 0   13  18 o 75.370  1.5803 280.570  11.756  277.535  16.694  283.555  16.558  74.932  2.2572 75.742  2.2149 -0.8105850     3.162378  
1 1 1 0   13  19 f 46.604  1.2727 107.249  5.8544  117.883  8.2864  96.651   8.2725  48.849  1.7186 44.227  1.8950 4.622112       2.558274  
1 1 1 0   13  20 o 142.404 2.1072 1002.52  29.619  1015.38  42.247  990.083  41.537  143.190 2.9892 141.397 2.9762 1.792572       4.218165  
1 1 1 0   13  21 o 118.613 6.7141 711.205  78.283  689.701  110.250 733.072  111.174 115.285 9.7811 119.013 9.5443 -3.727638      13.66618  
1 1 1 0   13  22 o 80.912  3.4204 325.396  27.316  458.447  80.856  308.253  29.023  93.826  8.8349 78.699  3.7363 15.12699       9.592436  
1 1 1 0   13  23 o 45.631  1.3996 102.918  6.3037  106.340  8.8580  99.408   8.9726  46.351  1.9362 44.808  2.0288 1.542744       2.804393  
1 1 1 0   13  24 o 45.404  1.9267 102.091  8.6344  96.315   9.7278  123.540  18.745  44.016  2.2465 49.544  3.8638 -5.527531      4.469415  
1 1 1 0   13  25 o 29.980  3.9541 45.816   11.415  54.486   15.092  34.224   17.451  32.502  4.8531 25.292  6.8300 7.209806       8.378633  
1 1 1 0   14  0  o 163.894 2.0896 1326.73  33.803  1339.32  47.776  1314.11  47.833  164.605 2.9406 163.045 2.9722 1.559509       4.181071  
1 1 1 0   14  1  o 236.724 7.4817 2792.16  174.814 2908.19  247.407 2676.48  247.043 240.518 10.421 230.559 10.856 9.959686       15.04837  
1 1 1 0   14  2  o 160.855 6.6417 1285.92  105.450 1280.83  149.075 1291.01  149.183 159.685 9.5010 160.330 9.4690 -0.6444855     13.41387  
1 1 1 0   14  3  o 154.241 1.9887 1174.79  30.276  1171.58  42.870  1177.99  42.764  153.984 2.8206 154.406 2.8059 -0.4218292     3.978563  
1 1 1 0   14  4  o 325.959 3.8972 5254.97  125.385 5288.48  170.480 5215.49  185.058 326.699 5.2868 324.311 5.7811 2.388367       7.834014  
1 1 1 0   14  5  o 218.709 2.6920 2363.07  58.113  2351.80  82.186  2374.34  82.182  218.075 3.8182 219.120 3.7998 -1.044540      5.386757  
1 1 1 0   14  6  o 30.569  7.7085 48.306   23.254  49.814   32.411  46.706   33.384  31.490  9.5761 30.810  9.7759 0.6797619      13.68464  
1 1 1 0   14  7  o 111.334 1.7232 611.992  18.936  640.151  26.988  584.687  26.576  113.844 2.4018 108.797 2.4748 5.046410       3.448637  
1 1 1 0   14  8  o 186.870 2.5401 1725.07  46.851  1708.86  66.328  1741.21  66.186  185.896 3.6149 187.652 3.5734 -1.755188      5.082963  
1 1 1 0   14  9  o 149.358 2.0259 1101.66  29.865  1105.52  42.245  1097.82  42.227  149.568 2.8615 149.046 2.8704 0.5223999      4.053081  
1 1 1 0   14  10 o 128.955 1.8140 821.180  23.090  817.718  32.766  824.596  32.543  128.644 2.5805 129.186 2.5522 -0.5416412     3.629383  
1 1 1 0   14  11 o 104.202 2.2522 536.406  23.164  527.652  32.588  545.346  32.932  103.295 3.1963 105.014 3.1771 -1.718941      4.506709  
1 1 1 0   14  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   14  13 o 121.059 1.8615 723.885  22.243  748.593  31.888  700.472  31.041  123.056 2.6254 119.034 2.6420 4.022194       3.724621  
1 1 1 0   14  14 o 116.186 1.8867 666.839  21.636  679.325  29.616  652.547  31.685  117.222 2.5597 114.869 2.7946 2.352776       3.789663  
1 1 1 0   14  15 o 34.633  1.1354 59.215   3.8810  69.112   5.5160  49.512   5.4616  37.410  1.4938 31.611  1.7574 5.798750       2.306488  
1 1 1 0   14  16 o 31.580  1.1184 49.236   3.4862  50.982   4.9521  47.521   4.9086  32.129  1.5616 30.977  1.6110 1.152334       2.243592  
1 1 1 0   14  17 o 23.713  1.7461 27.927   4.0581  92.196   30.420  26.762   4.0947  42.235  7.5754 23.205  1.8018 19.02937       7.786777  
1 1 1 0   14  18 o 154.225 2.2576 1175.87  34.366  1183.96  48.110  1167.44  49.107  154.629 3.1522 153.532 3.2405 1.096832       4.520749  
1 1 1 0   14  19 f 58.795  1.7896 170.808  10.386  182.688  15.677  161.515  13.865  60.765  2.6138 57.144  2.4582 3.621243       3.588162  
1 1 1 0   14  20 o 78.273  6.4836 309.803  49.640  309.123  69.992  310.492  70.414  77.199  9.3781 77.357  9.4164 -0.1577759     13.28975  
1 1 1 0   14  21 o 114.162 2.6942 645.675  30.359  652.946  44.200  639.181  41.770  114.561 3.9089 113.387 3.7323 1.173714       5.404560  
1 1 1 0   14  22 o 134.519 2.2811 896.178  30.287  889.523  42.423  903.097  43.253  133.787 3.2126 134.793 3.2510 -1.005707      4.570530  
1 1 1 0   14  23 o 58.668  1.8689 170.380  10.823  162.460  12.554  193.298  21.355  57.253  2.2215 62.161  3.4948 -4.907970      4.141145  
1 1 1 0   14  24 o 73.692  2.0695 269.167  15.053  267.886  23.570  270.050  19.562  73.284  3.2585 73.704  2.6890 -0.4202118     4.224732  
1 1 1 0   14  25 o 34.753  1.5891 59.773   5.4510  59.956   5.7290  58.026   17.715  34.801  1.6678 33.305  5.5867 1.495831       5.830312  
1 1 1 0   15  0  o 85.733  6.2674 367.863  52.668  378.435  74.903  357.526  74.072  86.362  8.9154 83.871  9.0933 2.490814       12.73471  
1 1 1 0   15  1  f 236.561 6.3221 2785.75  147.617 2785.75  147.617 0.0000   0.0000  236.561 6.3221 ?       ?      0.000000       6.322083  
1 1 1 0   15  2  o 119.459 1.6400 704.667  19.338  734.494  27.519  675.573  27.179  121.929 2.2866 116.932 2.3548 4.996613       3.282368  
1 1 1 0   15  3  o 79.481  1.3364 311.876  10.484  312.959  15.232  310.901  14.453  79.603  1.9386 79.344  1.8455 0.2593536      2.676586  
1 1 1 0   15  4  o 129.285 1.7854 825.400  22.783  828.995  30.696  820.990  33.998  129.534 2.4008 128.890 2.6724 0.6439972      3.592445  
1 1 1 0   15  5  o 190.923 2.5360 1801.13  47.790  1773.30  67.419  1829.24  67.751  189.325 3.6078 192.293 3.5696 -2.967606      5.075265  
1 1 1 0   15  6  f 230.922 2.8334 2635.65  64.581  2644.36  91.331  2626.94  91.331  231.130 4.0034 230.365 4.0167 0.7649078      5.671068  
1 1 1 0   15  7  o 16.794  4.8289 14.288   8.4319  9.6234   8.9534  50.861   25.072  14.681  5.0767 31.322  8.0621 -16.64104      9.527393  
1 1 1 0   15  8  o 15.426  1.4655 11.855   2.2046  11.715   2.2754  14.009   8.9118  15.328  1.5242 16.726  5.0069 -1.398381      5.233808  
1 1 1 0   15  9  o 72.459  1.3809 259.216  9.8759  261.946  14.167  256.636  13.774  72.824  1.9710 72.084  1.9359 0.7408676      2.762720  
1 1 1 0   15  10 o 213.733 7.2329 2280.92  152.588 2213.21  215.707 2348.73  215.876 209.224 10.445 215.683 10.140 -6.458771      14.55787  
1 1 1 0   15  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   15  12 o 94.846  1.5561 444.240  14.568  458.373  21.035  431.213  20.194  96.312  2.2127 93.416  2.1902 2.895729       3.113334  
1 1 1 0   15  13 o 30.252  1.4145 45.191   4.2238  47.890   4.6880  33.552   9.7354  31.141  1.5252 25.722  3.9617 5.418409       4.245111  
1 1 1 0   15  14 o 179.139 2.5792 1586.83  45.605  1592.28  67.746  1582.31  61.671  179.236 3.8294 178.738 3.4957 0.4985199      5.184950  
1 1 1 0   15  15 o 148.551 2.3918 1090.99  35.070  1208.54  57.411  1021.02  44.294  156.154 3.7248 143.619 3.1247 12.53462       4.861879  
1 1 1 0   15  16 o 79.351  1.7938 311.071  14.049  322.835  18.124  293.357  22.240  80.812  2.2722 76.992  2.9265 3.820183       3.705005  
1 1 1 0   15  17 o 57.628  1.3850 164.006  7.8783  172.278  10.849  154.777  11.459  59.048  1.8615 55.960  2.0746 3.087536       2.787283  
1 1 1 0   15  18 o 63.584  2.0975 199.854  13.164  0.0000   0.0000  199.854  13.164  ?       ?      63.584  2.0975 0.000000       2.097512  
1 1 1 0   15  19 f 82.016  7.5846 342.552  60.704  379.902  108.723 325.635  73.171  83.744  13.621 79.242  9.5474 4.502403       16.63414  
1 1 1 0   15  20 o 169.422 2.5566 1421.07  42.753  1450.14  60.980  1392.97  59.958  170.875 3.6155 167.470 3.6272 3.405029       5.121426  
1 1 1 0   15  21 o 86.178  1.8012 367.235  15.321  383.513  21.451  350.285  21.889  87.991  2.4699 84.071  2.6379 3.919937       3.613692  
1 1 1 0   15  22 o 163.732 2.5215 1329.50  40.750  1327.55  57.726  1331.42  57.532  163.209 3.5834 163.455 3.5660 -0.2454529     5.055351  
1 1 1 0   15  23 o 17.052  1.8096 14.555   2.9992  14.561   3.0258  14.259   22.681  17.053  1.8261 20.147  7.8735 -3.094627      8.082525  
1 1 1 0   15  24 o 87.342  2.2107 378.498  19.058  394.230  26.883  362.601  27.023  88.921  3.0629 85.236  3.2120 3.684860       4.438321  
1 1 1 0   15  25 o 86.583  1.9863 371.770  16.975  382.901  23.441  359.496  24.614  87.689  2.7083 84.899  2.9373 2.789070       3.995295  
1 1 1 0   16  0  f 164.666 2.1784 1339.78  35.406  1278.36  52.499  1391.01  47.954  160.721 3.3094 167.707 2.8969 -6.986099      4.398177  
1 1 1 0   16  1  o 38.599  1.2345 73.556   4.7033  68.254   8.0769  76.276   5.7855  37.100  2.2158 39.303  1.4914 -2.202911      2.670926  
1 1 1 0   16  2  o 214.283 2.8664 2270.73  60.626  2320.46  78.451  2197.00  95.523  216.475 3.6716 210.438 4.5989 6.037552       5.884765  
1 1 1 0   16  3  o 64.814  1.2864 207.404  8.2296  208.044  11.592  206.755  11.685  64.901  1.8096 64.699  1.8298 0.2018585      2.573483  
1 1 1 0   16  4  o 74.113  1.3256 271.195  9.6972  279.424  13.788  263.141  13.641  75.214  1.8572 72.988  1.8935 2.225533       2.652273  
1 1 1 0   16  5  o 122.002 1.7051 735.093  20.533  759.326  29.087  711.023  28.990  123.956 2.3774 119.944 2.4487 4.012268       3.412925  
1 1 1 0   16  6  o 155.008 2.1121 1187.06  32.315  1163.40  45.651  1210.84  45.751  153.370 3.0157 156.471 2.9623 -3.101654      4.227221  
1 1 1 0   16  7  o 134.662 1.9335 895.755  25.699  912.469  38.485  882.302  34.526  135.839 2.8703 133.597 2.6183 2.241943       3.885099  
1 1 1 0   16  8  o 67.549  2.9459 225.672  19.641  225.672  19.641  0.0000   0.0000  67.549  2.9459 ?       ?      0.000000       2.945927  
1 1 1 0   16  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   16  10 o 193.821 4.3784 1863.58  83.762  1951.64  113.061 1756.44  124.708 197.968 5.7861 187.508 6.7382 10.45961       8.881528  
1 1 1 0   16  11 o 29.663  2.5291 43.819   7.3341  43.784   10.568  43.851   10.187  29.498  3.7117 29.543  3.5654 -0.4506874E-01 5.146733  
1 1 1 0   16  12 o 25.685  2.9436 33.067   7.3279  27.028   10.701  38.400   10.056  22.892  4.8847 27.580  3.7944 -4.688232      6.185303  
1 1 1 0   16  13 o 75.615  1.5073 282.374  11.250  276.526  16.173  287.856  15.659  74.799  2.1906 76.321  2.0786 -1.522667      3.019850  
1 1 1 0   16  14 o 51.770  1.3783 132.353  7.0432  133.291  9.9935  131.427  9.9280  51.938  1.9494 51.573  1.9503 0.3645782      2.757519  
1 1 1 0   16  15 o 90.668  1.7103 406.108  15.306  421.574  22.241  392.194  21.097  92.331  2.4405 89.059  2.4000 3.272438       3.422865  
1 1 1 0   16  16 o 15.299  4.7858 11.536   8.0275  7.0705   12.027  15.124   10.780  14.861  5.7541 17.546  5.5539 -2.685018      7.997243  
1 1 1 0   16  17 o 87.269  1.6563 376.254  14.267  393.492  20.723  360.721  19.672  89.199  2.3538 85.405  2.3336 3.793587       3.314509  
1 1 1 0   16  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   16  19 o 65.027  6.9020 215.581  43.623  224.102  62.884  207.678  60.565  65.185  10.100 62.691  10.133 2.494015       14.30746  
1 1 1 0   16  20 o 87.723  1.8472 380.509  15.995  383.831  22.563  377.153  22.677  88.023  2.5970 87.250  2.6332 0.7736816      3.698364  
1 1 1 0   16  21 o 33.655  3.5404 56.995   11.585  59.519   16.689  54.649   16.093  34.059  5.1231 32.594  5.1752 1.465092       7.282092  
1 1 1 0   16  22 o 3.3896  1.6940 -6.4147  2.3453  -6.8731  2.3793  9.3174   13.939  3.3447  1.6766 16.169  6.2125 -12.82387      6.434762  
1 1 1 0   16  23 o 60.617  2.4535 182.513  14.680  194.774  21.175  171.167  20.369  62.331  3.4553 58.394  3.5508 3.936947       4.954529  
1 1 1 0   16  24 o 106.128 2.1729 558.990  22.762  553.454  31.345  565.167  33.108  105.328 3.0150 106.383 3.1531 -1.055145      4.362563  
1 1 1 0   16  25 o 115.551 6.6843 700.893  75.911  704.021  107.030 697.727  107.682 112.111 9.7698 111.442 9.8924 0.6688232      13.90351  
1 1 1 0   17  0  o 124.685 1.6623 767.835  20.458  752.183  28.763  783.862  29.105  123.358 2.3623 125.931 2.3415 -2.572639      3.326119  
1 1 1 0   17  1  o 89.606  1.3760 396.465  12.170  402.779  17.599  390.680  16.847  90.291  1.9748 88.927  1.9194 1.363747       2.753854  
1 1 1 0   17  2  o 56.619  1.2274 158.273  6.8593  167.874  10.089  150.020  9.3541  58.298  1.7532 55.112  1.7196 3.186340       2.455781  
1 1 1 0   17  3  o 44.419  1.6245 97.445   7.1222  98.665   9.4858  95.869   10.783  44.684  2.1508 43.966  2.4951 0.7179832      3.294150  
1 1 1 0   17  4  o 95.342  1.5123 448.898  14.232  438.644  20.836  457.865  19.485  94.211  2.2407 96.264  2.0508 -2.052940      3.037477  
1 1 1 0   17  5  o 92.574  1.4455 423.189  13.208  412.171  18.597  434.401  18.761  91.333  2.0630 93.766  2.0271 -2.432602      2.892217  
1 1 1 0   17  6  o 116.635 1.7762 671.967  20.448  644.036  28.693  700.795  29.149  114.131 2.5470 119.060 2.4805 -4.928696      3.555293  
1 1 1 0   17  7  o 100.010 6.3573 501.290  62.429  470.000  87.559  533.646  89.036  95.966  9.3631 102.470 8.8912 -6.503723      12.91205  
1 1 1 0   17  8  o 199.068 7.0606 1984.28  138.731 2101.47  196.714 1868.33  195.682 203.514 9.7928 191.305 10.402 12.20906       14.28655  
1 1 1 0   17  9  o 83.969  1.7512 348.293  14.514  343.661  17.766  357.587  25.167  83.389  2.1585 85.007  2.9994 -1.617706      3.695391  
1 1 1 0   17  10 o 162.357 2.3348 1303.10  37.416  1294.42  53.062  1311.68  52.769  161.676 3.3251 162.757 3.2848 -1.081085      4.673958  
1 1 1 0   17  11 o 100.618 1.7005 500.095  16.889  515.946  24.148  484.918  23.629  102.154 2.3949 99.033  2.4173 3.120934       3.402814  
1 1 1 0   17  12 o 151.331 2.0875 1131.83  31.181  1125.71  44.237  1137.88  43.958  150.810 2.9718 151.628 2.9372 -0.8180695     4.178343  
1 1 1 0   17  13 f 256.729 3.2266 3264.38  81.761  3313.62  115.833 3215.49  115.424 258.206 4.5450 254.332 4.5979 3.873138       6.465132  
1 1 1 0   17  14 o 65.871  1.5105 214.311  9.8211  215.611  13.935  213.028  13.844  66.043  2.1376 65.647  2.1366 0.3968430      3.022317  
1 1 1 0   17  15 o 74.191  1.7080 271.943  12.507  280.688  18.163  264.056  17.249  75.331  2.4427 73.069  2.3916 2.262527       3.418595  
1 1 1 0   17  16 o 103.206 6.4381 536.283  65.257  549.822  92.929  523.111  91.659  103.461 9.1958 100.849 9.3133 2.612808       13.08822  
1 1 1 0   17  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   17  18 o 51.911  2.5571 133.403  13.102  129.153  19.155  137.139  17.960  50.836  3.8460 52.449  3.4893 -1.612873      5.192978  
1 1 1 0   17  19 o 79.563  2.1853 313.227  17.161  326.755  24.749  300.699  23.817  81.157  3.0896 77.853  3.0995 3.304237       4.376347  
1 1 1 0   17  20 o 42.730  2.0685 90.367   8.7241  88.331   8.8899  143.404  45.381  42.188  2.1419 51.810  9.2117 -9.621601      9.457488  
1 1 1 0   17  21 o 79.609  1.6168 313.447  12.705  320.738  17.976  306.170  17.958  80.447  2.2638 78.591  2.3150 1.855644       3.237953  
1 1 1 0   17  22 o 49.695  2.8783 123.318  14.058  133.085  20.330  114.370  19.460  51.348  4.0440 47.538  4.1902 3.810043       5.823404  
1 1 1 0   17  23 o 46.828  2.9388 109.764  13.515  101.693  19.412  117.355  18.827  44.655  4.4641 48.147  3.9979 -3.491955      5.992551  
1 1 1 0   17  24 o 43.530  7.7351 103.188  32.017  95.392   45.875  110.591  44.704  40.034  11.180 43.515  10.523 -3.481159      15.35390  
1 1 1 0   17  25 o 68.471  2.6875 233.930  18.163  445.286  101.197 226.895  18.463  85.220  12.394 67.409  2.7749 17.81121       12.70074  
1 1 1 0   18  0  o 138.182 1.9033 943.440  25.959  935.434  35.778  952.338  37.722  137.520 2.6358 138.743 2.7546 -1.222610      3.812495  
1 1 1 0   18  1  o 301.336 3.6075 4499.80  107.299 4356.31  151.619 4643.76  151.868 295.843 5.1923 305.524 5.0360 -9.681274      7.233360  
1 1 1 0   18  2  o 25.147  2.6224 31.614   6.4134  29.596   8.7108  34.003   9.4773  24.149  3.7783 25.916  3.8196 -1.766306      5.372574  
1 1 1 0   18  3  o 7.4063  1.5248 2.8093   1.0776  6.2644   1.4745  -1.1508  1.5786  11.180  1.3645 3.9261  1.7997 7.254162       2.258486  
1 1 1 0   18  4  o 90.700  1.5115 406.285  13.532  428.333  18.474  380.758  19.878  93.103  2.0103 87.764  2.2947 5.339424       3.050692  
1 1 1 0   18  5  o 204.100 3.6443 2064.46  73.416  1943.56  113.381 2151.75  96.340  197.394 5.8193 208.084 4.6907 -10.68993      7.474408  
1 1 1 0   18  6  o 105.871 6.3967 562.351  66.531  528.168  94.151  596.443  94.027  101.594 9.4994 108.245 8.8788 -6.651489      13.00274  
1 1 1 0   18  7  o 70.272  1.8878 243.984  13.094  242.488  19.039  245.327  18.036  70.010  2.7552 70.429  2.5946 -0.4184647     3.784538  
1 1 1 0   18  8  o 79.688  1.4858 313.621  11.687  318.946  16.561  308.340  16.493  80.333  2.0886 78.985  2.1156 1.348412       2.972914  
1 1 1 0   18  9  o 32.098  1.5431 50.887   4.8887  64.794   10.297  46.840   5.5546  36.065  2.9177 30.735  1.8394 5.330256       3.449131  
1 1 1 0   18  10 o 52.590  1.6681 136.622  8.6588  134.942  12.457  138.193  12.045  52.238  2.4159 52.868  2.3081 -0.6302490     3.341281  
1 1 1 0   18  11 o 97.133  1.6118 466.053  15.452  479.188  22.002  453.268  21.707  98.448  2.2642 95.745  2.2969 2.702080       3.225329  
1 1 1 0   18  12 o 101.131 1.9554 505.458  19.519  511.349  30.683  501.453  25.298  101.616 3.0592 100.681 2.5457 0.9349823      3.979872  
1 1 1 0   18  13 o 48.227  2.0332 114.968  9.6786  111.062  13.996  118.547  13.399  47.262  3.0159 48.860  2.7900 -1.598034      4.108473  
1 1 1 0   18  14 o 25.303  0.9971 31.610   2.4902  29.442   3.5564  33.696   3.4879  24.369  1.4857 26.085  1.3594 -1.715807      2.013761  
1 1 1 0   18  15 o 23.386  7.5424 26.989   19.810  20.909   31.593  30.928   25.431  24.266  9.3455 25.392  8.5611 -1.126141      12.67400  
1 1 1 0   18  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   18  17 o 123.839 2.0928 758.510  25.581  760.596  36.543  756.507  35.823  123.870 2.9888 123.546 2.9376 0.3241501      4.190803  
1 1 1 0   18  18 o 15.810  5.6032 10.947   10.949  9.8976   16.445  11.783   14.673  17.327  6.7230 17.301  6.4338 0.2616119E-01  9.305497  
1 1 1 0   18  19 o 48.452  2.7843 116.828  13.260  130.299  19.314  104.818  18.236  50.990  3.8662 45.658  4.0899 5.332169       5.628048  
1 1 1 0   18  20 o 65.986  2.2458 215.753  14.627  232.361  21.385  201.153  20.050  68.342  3.1702 63.502  3.2093 4.840069       4.511061  
1 1 1 0   18  21 o 97.634  2.1455 472.579  20.676  466.512  29.549  478.398  28.939  96.769  3.0937 98.024  2.9911 -1.254936      4.303205  
1 1 1 0   18  22 o 17.206  1.2312 14.711   2.0772  15.601   3.0552  13.947   2.8326  17.658  1.7771 16.690  1.7452 0.9676151      2.490744  
1 1 1 0   18  23 o 28.655  7.7770 45.306   22.559  28.185   32.384  61.445   31.442  24.941  9.4962 32.878  9.2823 -7.936739      13.27928  
1 1 1 0   18  24 o 12.647  5.2038 3.0989   10.459  -1.0684  15.952  6.2408   13.851  14.124  6.1397 15.049  6.0636 -0.9247026     8.629174  
1 1 1 0   19  0  o 72.852  1.6418 262.210  11.806  258.413  14.051  271.327  21.774  72.306  1.9687 74.018  2.9804 -1.712120      3.571904  
1 1 1 0   19  1  o 48.533  1.6410 116.363  7.8608  111.886  10.564  121.918  11.767  47.569  2.2499 49.649  2.4012 -2.080235      3.290526  
1 1 1 0   19  2  o 26.754  1.5318 35.470   4.0283  44.078   9.6999  33.675   4.4282  29.635  3.3764 26.050  1.7320 3.584324       3.794757  
1 1 1 0   19  3  f 66.404  1.4906 217.790  9.7700  199.823  13.157  239.874  14.587  63.581  2.0965 69.661  2.1215 -6.079685      2.982623  
1 1 1 0   19  4  o 47.840  6.9590 117.157  31.897  109.428  44.663  125.203  45.569  45.410  10.212 48.737  9.8122 -3.327038      14.16227  
1 1 1 0   19  5  o 109.047 6.4857 597.665  69.493  586.694  98.002  608.761  98.557  106.997 9.3742 109.059 9.2427 -2.062378      13.16446  
1 1 1 0   19  6  o 110.956 1.7439 608.248  19.099  624.690  27.962  593.871  26.148  112.379 2.5209 109.582 2.4175 2.797096       3.492727  
1 1 1 0   19  7  o 151.169 2.2215 1129.82  33.147  1126.14  46.608  1133.59  47.151  150.790 3.1315 151.283 3.1577 -0.4935608     4.447176  
1 1 1 0   19  8  o 63.810  1.3989 201.095  8.8109  211.012  13.642  193.997  11.541  65.335  2.1154 62.656  1.8662 2.678059       2.820891  
1 1 1 0   19  9  f 38.090  2.0351 71.918   7.6237  84.005   11.050  60.939   10.531  41.109  2.7390 34.942  3.0853 6.166485       4.125659  
1 1 1 0   19  10 o 204.143 3.4573 2066.24  69.663  2919.66  206.105 1956.17  74.019  239.728 8.7104 198.543 3.7771 41.18509       9.494036  
1 1 1 0   19  11 o 111.978 1.7863 619.611  19.743  596.047  28.044  642.764  27.799  109.751 2.5888 113.984 2.4709 -4.233475      3.578704  
1 1 1 0   19  12 o 111.311 1.9427 612.430  21.344  635.296  30.179  589.545  30.192  113.287 2.6989 109.119 2.8032 4.168343       3.891293  
1 1 1 0   19  13 o 126.814 2.0273 795.072  25.375  796.049  36.185  794.127  35.594  126.775 2.8917 126.629 2.8478 0.1462402      4.058583  
1 1 1 0   19  14 o 107.560 6.5240 584.064  68.936  559.231  96.943  609.466  98.046  103.919 9.5583 108.689 9.2264 -4.769920      13.28491  
1 1 1 0   19  15 o 25.088  5.4295 32.694   13.055  20.265   19.596  42.613   17.505  21.248  7.4998 28.560  6.3717 -7.312046      9.840963  
1 1 1 0   19  16 o 49.757  2.6826 122.999  13.126  118.131  19.256  127.225  17.940  48.549  4.0555 50.470  3.6254 -1.921234      5.439754  
1 1 1 0   19  17 o 55.250  1.8482 150.956  10.079  144.405  14.219  157.571  14.289  53.979  2.6688 56.395  2.5669 -2.415993      3.702927  
1 1 1 0   19  18 o 182.971 2.7369 1660.64  49.429  1653.76  69.668  1667.62  70.140  182.127 3.8755 182.884 3.8856 -0.7565765     5.487899  
1 1 1 0   19  19 o 91.764  1.9728 416.890  17.869  439.703  24.957  392.895  25.596  94.115  2.6866 88.918  2.9164 5.196579       3.965195  
1 1 1 0   19  20 f 79.253  1.7630 310.922  13.791  319.519  19.445  302.221  19.564  80.226  2.4556 78.008  2.5408 2.218018       3.533512  
1 1 1 0   19  21 o 65.758  5.7863 223.394  37.174  0.0000   0.0000  223.394  37.174  ?       ?      65.758  5.7863 0.000000       5.786264  
1 1 1 0   19  22 o 49.277  7.3502 130.845  34.656  147.356  50.331  115.958  47.791  50.333  10.472 44.161  11.004 6.171505       15.19042  
1 1 1 0   19  23 o 94.072  2.6604 441.368  24.702  467.493  41.830  427.380  30.609  95.936  4.4175 92.282  3.3605 3.654724       5.550412  
1 1 1 0   19  24 o 34.457  1.5355 58.827   5.2221  48.506   7.4324  68.891   7.3389  31.101  2.4407 37.182  2.0071 -6.080912      3.160008  
1 1 1 0   20  0  o 31.367  2.0625 48.873   6.3498  48.258   9.0205  49.477   8.9400  31.058  2.9791 31.461  2.9120 -0.4026470     4.165909  
1 1 1 0   20  1  o 72.397  1.4473 258.926  10.342  250.494  14.441  267.806  14.819  71.172  2.0556 73.592  2.0402 -2.419388      2.896154  
1 1 1 0   20  2  o 45.333  10.318 110.109  45.133  0.0000   0.0000  110.109  45.133  ?       ?      45.333  10.318 0.000000       10.31845  
1 1 1 0   20  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   20  4  o 73.923  1.5962 269.981  11.647  268.364  16.133  271.741  16.831  73.665  2.2188 74.121  2.3006 -0.4563446     3.196277  
1 1 1 0   20  5  o 75.333  1.5792 280.368  11.743  280.354  16.311  280.384  16.919  75.295  2.1947 75.293  2.2767 0.1686096E-02  3.162232  
1 1 1 0   20  6  o 113.628 1.8258 638.087  20.477  643.549  27.133  630.860  31.211  114.055 2.4102 112.877 2.8013 1.177925       3.695464  
1 1 1 0   20  7  o 96.111  1.6106 456.378  15.279  466.443  21.896  446.825  21.331  97.112  2.2843 95.049  2.2737 2.063194       3.223009  
1 1 1 0   20  8  o 95.918  1.6599 454.587  15.715  452.708  21.849  456.601  22.619  95.667  2.3138 96.071  2.3853 -0.4036102     3.323206  
1 1 1 0   20  9  o 140.936 2.0634 982.085  28.704  1013.37  39.497  947.064  41.787  143.052 2.7973 138.246 3.0623 4.806000       4.147587  
1 1 1 0   20  10 o 32.546  2.5855 52.759   8.2372  51.311   12.053  54.027   11.283  31.902  3.9096 32.807  3.5406 -0.9056530     5.274545  
1 1 1 0   20  11 o 23.348  1.9903 27.147   4.5429  120.100  37.693  25.777   4.5762  47.962  8.2603 22.739  2.0614 25.22351       8.513593  
1 1 1 0   20  12 o 122.380 9.4089 774.567  112.783 733.423  159.217 816.004  159.782 115.776 14.232 122.848 13.394 -7.071144      19.54412  
1 1 1 0   20  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   20  14 o 61.567  1.5684 187.317  9.5311  192.956  13.602  181.878  13.359  62.446  2.2068 60.626  2.2325 1.820843       3.139123  
1 1 1 0   20  15 o 117.498 2.0774 683.059  24.093  696.063  34.822  671.118  33.369  118.455 2.9783 116.327 2.9062 2.127632       4.161317  
1 1 1 0   20  16 o 69.333  1.7067 237.686  11.679  245.218  16.583  230.272  16.452  70.360  2.3879 68.176  2.4449 2.183922       3.417500  
1 1 1 0   20  17 o 88.397  1.8881 386.645  16.474  394.473  23.204  378.689  23.392  89.177  2.6362 87.361  2.7128 1.815468       3.782731  
1 1 1 0   20  18 o 40.244  1.1445 80.018   4.5462  90.111   6.4380  69.979   6.4206  42.688  1.5280 37.608  1.7297 5.080200       2.307915  
1 1 1 0   20  19 o 45.228  1.5134 101.187  6.7561  115.621  9.6749  87.450   9.4386  48.301  2.0293 41.922  2.2897 6.379730       3.059577  
1 1 1 0   20  20 o 90.677  6.7047 429.931  59.583  445.932  84.548  414.145  83.981  89.706  9.7034 86.069  10.076 3.637108       13.98880  
1 1 1 0   20  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   20  22 o 32.932  8.3961 61.496   27.375  52.656   39.517  69.651   37.957  30.463  10.658 34.272  10.350 -3.809214      14.85655  
1 1 1 0   20  23 o 4.4828  2.1290 -3.1721  2.5519  -2.0168  16.315  -3.2011  2.5837  14.021  6.1495 4.5140  2.1433 9.507475       6.512277  
1 1 1 0   21  0  o 86.747  1.4777 371.967  12.653  373.440  17.809  370.466  17.979  86.851  2.0775 86.500  2.1058 0.3503036      2.958114  
1 1 1 0   21  1  o 29.012  8.0731 44.654   23.964  43.291   34.317  45.951   33.480  29.375  9.9448 29.920  9.8158 -0.5447865     13.97318  
1 1 1 0   21  2  o 85.283  2.7958 360.640  23.534  356.920  24.718  396.705  76.962  84.819  2.9525 87.110  9.0848 -2.290771      9.552564  
1 1 1 0   21  3  o 51.987  1.4612 133.539  7.4978  131.959  9.2450  136.575  12.816  51.662  1.8130 52.516  2.4725 -0.8541222     3.066007  
1 1 1 0   21  4  o 50.477  1.4829 125.893  7.3881  114.428  12.904  131.484  9.0112  47.979  2.7362 51.573  1.7702 -3.594025      3.258905  
1 1 1 0   21  5  o 99.803  1.7159 492.324  16.904  479.641  23.810  505.211  24.001  98.431  2.4508 101.026 2.4070 -2.595184      3.435076  
1 1 1 0   21  6  o 123.514 1.9700 754.388  24.017  745.797  34.705  762.284  33.272  122.673 2.8662 124.048 2.7174 -1.374680      3.949611  
1 1 1 0   21  7  o 106.300 1.8143 558.599  19.036  576.334  26.963  540.976  26.878  107.889 2.5320 104.517 2.6054 3.371826       3.633074  
1 1 1 0   21  8  o 85.974  1.5806 365.257  13.413  381.711  18.642  347.595  19.314  87.842  2.1501 83.807  2.3349 4.035126       3.174028  
1 1 1 0   21  9  o 79.196  1.6063 309.950  12.556  326.746  17.556  292.363  17.965  81.266  2.1887 76.855  2.3681 4.410942       3.224662  
1 1 1 0   21  10 o 109.907 2.1865 597.674  23.719  633.383  40.695  579.301  29.190  112.884 3.6524 108.126 2.7351 4.757835       4.562969  
1 1 1 0   21  11 o 95.132  9.5463 473.183  88.430  422.703  124.462 524.641  125.663 86.370  15.152 97.723  13.379 -11.35323      20.21373  
1 1 1 0   21  12 o 158.499 3.1680 1247.06  49.562  1873.13  160.371 1180.96  52.113  190.826 8.5144 154.165 3.4247 36.66130       9.177373  
1 1 1 0   21  13 f 43.278  2.6597 93.188   11.306  98.320   16.186  88.297   15.800  44.290  3.7375 41.932  3.8609 2.357376       5.373615  
1 1 1 0   21  14 o 138.731 2.2893 953.166  31.348  937.774  44.320  968.576  44.345  137.358 3.2690 139.611 3.2181 -2.252899      4.587178  
1 1 1 0   21  15 o 53.194  2.8725 140.896  15.026  142.784  19.675  138.253  23.276  53.384  3.7579 52.343  4.5504 1.041252       5.901570  
1 1 1 0   21  16 o 53.482  1.5578 141.445  8.2236  141.208  11.663  141.680  11.597  53.382  2.2136 53.473  2.1972 -0.9083557E-01 3.118887  
1 1 1 0   21  17 o 81.954  1.8080 332.495  14.625  348.141  20.550  316.437  20.819  83.745  2.4862 79.810  2.6428 3.934319       3.628416  
1 1 1 0   21  18 o 7.7584  2.0463 3.0914   1.5895  10.579   2.1972  -5.1294  2.3023  14.539  1.5552 3.6096  1.7821 10.92982       2.365255  
1 1 1 0   21  19 o 115.620 7.8371 714.503  88.911  698.331  109.125 746.438  153.346 111.673 10.006 108.590 14.684 3.083687       17.76893  
1 1 1 0   21  20 o 20.674  7.3584 20.663   18.902  14.563   29.536  24.894   24.598  21.547  8.7913 22.802  8.3566 -1.255447      12.12930  
1 1 1 0   21  21 o 33.557  1.9804 56.123   6.5305  56.189   6.9989  55.674   18.156  33.553  2.1243 32.242  5.9235 1.310513       6.292857  
1 1 1 0   21  22 o 90.267  2.4662 406.453  21.973  426.150  32.550  389.962  29.784  91.882  3.5891 87.979  3.4298 3.902519       4.964379  
1 1 1 0   21  23 o 33.256  1.5712 54.850   5.1575  54.079   5.1974  104.430  41.705  33.019  1.5947 41.147  10.294 -8.127911      10.41698  
1 1 1 0   22  0  o 77.744  6.6744 313.714  50.721  290.813  72.565  335.590  70.923  72.356  10.465 78.673  9.3142 -6.316162      14.00929  
1 1 1 0   22  1  f 72.746  1.4867 261.712  10.675  259.297  15.007  264.187  15.188  72.335  2.1019 73.013  2.1075 -0.6781387     2.976494  
1 1 1 0   22  2  o 44.186  1.5313 96.547   6.6784  89.412   10.831  100.924  8.4832  42.363  2.6028 45.152  1.9035 -2.788548      3.224572  
1 1 1 0   22  3  o 66.182  1.5871 216.592  10.368  213.636  14.198  219.969  15.175  65.669  2.1905 66.622  2.3076 -0.9524460     3.181746  
1 1 1 0   22  4  o 41.931  1.4081 86.897   5.8276  91.539   6.6392  71.316   12.163  43.029  1.5632 37.721  3.3000 5.307587       3.651536  
1 1 1 0   22  5  o 90.059  1.6086 401.003  14.299  393.261  19.506  409.995  21.023  89.112  2.2177 90.970  2.3413 -1.858131      3.224897  
1 1 1 0   22  6  f 144.508 2.1116 1033.73  30.118  1034.34  43.067  1033.14  42.135  144.322 3.0233 144.257 2.9592 0.6452942E-01  4.230498  
1 1 1 0   22  7  f 19.936  1.4918 19.754   2.9142  20.091   13.169  19.737   2.9883  19.901  6.1141 19.924  1.5313 -0.2312660E-01 6.302915  
1 1 1 0   22  8  o 25.834  3.6815 33.884   9.1220  39.585   13.463  29.045   12.403  27.661  5.1195 23.571  5.4414 4.090096       7.471098  
1 1 1 0   22  9  o 77.465  15.144 348.952  111.646 0.0000   0.0000  348.952  111.646 ?       ?      77.465  15.144 0.000000       15.14450  
1 1 1 0   22  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   22  11 o 57.162  1.8145 161.639  10.238  156.941  12.324  172.098  18.390  56.293  2.2180 58.755  3.1829 -2.462337      3.879456  
1 1 1 0   22  12 o 24.235  4.6577 30.410   10.737  32.511   14.683  27.995   15.740  24.844  6.0450 23.133  6.5803 1.711212       8.935465  
1 1 1 0   22  13 o 67.106  3.7506 225.444  24.743  427.585  68.023  194.620  26.563  90.669  7.6729 62.177  4.3558 28.49225       8.823051  
1 1 1 0   22  14 o 37.170  1.3246 68.289   4.8595  67.425   6.8676  69.156   6.8772  36.856  1.8942 37.377  1.8641 -0.5207176     2.657659  
1 1 1 0   22  15 o 43.223  1.4541 92.388   6.2035  107.959  8.7923  76.953   8.7539  46.689  1.9079 39.325  2.2648 7.363319       2.961360  
1 1 1 0   22  16 o 15.848  1.5087 12.538   2.3315  15.817   3.2991  9.2668   3.2954  17.766  1.9115 13.433  2.5792 4.332850       3.210336  
1 1 1 0   22  17 o 56.182  1.8546 156.439  10.285  175.353  19.755  149.407  12.046  59.092  3.4013 54.854  2.2248 4.238228       4.064348  
1 1 1 0   22  18 o 182.035 7.3360 1760.25  131.810 1746.72  185.428 1774.07  187.401 173.974 10.852 175.252 10.888 -1.277725      15.37256  
1 1 1 0   22  19 o 25.596  1.2921 32.501   3.2539  42.452   4.5762  22.326   4.6277  29.227  1.5923 21.065  2.2610 8.161530       2.765463  
1 1 1 0   22  20 o 22.468  1.8188 25.218   3.9988  24.573   4.1205  35.652   16.574  22.164  1.9020 25.466  6.5551 -3.302143      6.825493  
1 1 1 0   22  21 o 14.359  5.5991 7.3080   11.450  11.768   15.987  2.6116   16.406  17.217  6.6431 15.004  6.3685 2.212742       9.202647  
1 1 1 0   22  22 o 35.993  4.5543 67.592   15.818  64.429   18.764  75.361   29.406  34.624  5.6881 35.922  8.4373 -1.298275      10.17556  
1 1 1 0   23  0  o 20.643  3.9182 22.100   7.6914  25.304   11.463  19.476   10.373  21.842  5.3578 19.231  5.2962 2.610924       7.533661  
1 1 1 0   23  1  o 70.944  1.6497 249.205  11.552  256.782  17.859  243.755  15.147  71.857  2.5180 70.076  2.1899 1.781403       3.337064  
1 1 1 0   23  2  o 44.090  1.4685 96.180   6.3905  95.046   7.5386  99.074   12.047  43.807  1.7435 44.525  2.7548 -0.7177505     3.260123  
1 1 1 0   23  3  o 22.065  3.4677 24.914   7.3032  21.605   9.7846  29.075   10.974  20.256  4.9385 23.551  4.8812 -3.294441      6.943666  
1 1 1 0   23  4  o 31.230  2.5972 48.804   7.9333  51.614   10.837  45.560   11.645  31.951  3.4933 29.867  4.0550 2.084312       5.352184  
1 1 1 0   23  5  o 65.608  1.7262 213.067  11.178  220.328  15.600  205.403  16.026  66.629  2.3720 64.309  2.5248 2.320320       3.464214  
1 1 1 0   23  6  o 64.228  1.7860 204.212  11.322  198.296  15.721  210.588  16.320  63.195  2.5203 65.121  2.5391 -1.926262      3.577527  
1 1 1 0   23  7  o 70.171  6.8764 255.849  47.015  270.487  66.437  241.165  66.542  70.424  9.8254 65.959  10.578 4.464638       14.43755  
1 1 1 0   23  8  o 89.122  6.6455 410.015  58.038  396.160  83.088  423.216  81.104  85.252  10.069 88.656  9.4123 -3.403908      13.78285  
1 1 1 0   23  9  o 64.266  2.1909 204.744  13.898  202.656  19.553  206.876  19.758  63.795  3.1052 64.455  3.1057 -0.6606636     4.391716  
1 1 1 0   23  10 o 40.960  1.3541 82.943   5.4746  94.306   7.8178  72.008   7.6689  43.646  1.8147 38.068  2.0485 5.578041       2.736739  
1 1 1 0   23  11 o 45.362  2.8757 102.778  12.809  84.336   18.523  119.678  17.732  40.646  4.7041 48.780  3.7108 -8.133945      5.991512  
1 1 1 0   23  12 o 12.855  5.2002 3.8551   10.231  4.1793   15.752  3.6184   13.456  15.382  6.3634 14.273  5.8912 1.109072       8.671724  
1 1 1 0   23  13 o 77.507  1.7923 297.521  13.712  304.798  17.724  286.672  21.640  78.362  2.2915 75.867  2.8898 2.494209       3.688031  
1 1 1 0   23  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   23  15 o 42.379  3.6738 90.837   15.215  89.912   17.681  93.480   29.871  41.965  4.3309 41.474  7.5761 0.4911575      8.726637  
1 1 1 0   23  16 o 72.997  10.375 307.049  72.648  307.049  72.648  0.0000   0.0000  72.997  10.375 ?       ?      0.000000       10.37477  
1 1 1 0   23  17 o 35.096  12.932 75.755   59.020  75.755   59.020  0.0000   0.0000  35.096  12.932 ?       ?      0.000000       12.93188  
1 1 1 0   23  18 o 75.317  2.3002 282.559  17.100  292.975  24.166  272.114  24.200  76.362  3.2062 73.540  3.3339 2.821861       4.625457  
1 1 1 0   23  19 o 13.419  1.5022 9.0351   1.9556  15.550   2.7052  1.9044   2.8302  17.641  1.5701 7.3647  2.8066 10.27608       3.215868  
1 1 1 0   23  20 o 57.364  1.6588 163.299  9.3919  191.031  16.118  149.041  11.557  61.783  2.6430 54.702  2.1404 7.080219       3.401019  
1 1 1 0   23  21 o 40.397  4.9660 85.972   19.384  89.848   26.674  81.634   28.217  40.148  6.9850 37.680  7.8422 2.467575       10.50190  
1 1 1 0   24  0  o 16.828  5.3107 14.500   9.8622  13.325   12.724  16.267   15.608  16.950  6.0369 18.633  6.6808 -1.682703      9.004272  
1 1 1 0   24  1  o 75.037  1.6525 278.979  12.239  280.774  16.268  276.638  18.578  75.165  2.1928 74.525  2.5256 0.6398849      3.344705  
1 1 1 0   24  2  o 35.402  2.9142 63.000   10.093  72.057   16.901  57.980   12.583  37.374  4.6844 33.721  3.8494 3.653126       6.063086  
1 1 1 0   24  3  o 26.296  3.0413 35.008   7.7482  36.431   10.630  33.396   11.317  26.545  4.1967 25.250  4.7142 1.295202       6.311542  
1 1 1 0   24  4  o 26.039  1.3959 33.649   3.5747  25.060   11.176  34.628   3.7729  21.703  5.2699 26.410  1.4529 -4.707008      5.466547  
1 1 1 0   24  5  o 106.105 2.1958 559.272  22.996  553.460  37.877  562.665  28.941  104.946 3.6566 106.225 2.7603 -1.279221      4.581427  
1 1 1 0   24  6  o 45.653  7.6972 113.293  33.451  105.688  46.721  121.292  47.915  42.154  11.082 45.373  10.846 -3.219540      15.50673  
1 1 1 0   24  7  o 44.086  3.3655 97.893   14.534  98.936   21.840  97.065   19.473  43.744  5.1574 43.522  4.6028 0.2210579      6.912611  
1 1 1 0   24  8  o 69.806  1.6353 241.324  11.267  253.097  15.601  228.488  16.291  71.384  2.2142 67.780  2.4350 3.604424       3.291201  
1 1 1 0   24  9  o 15.265  5.4530 10.445   10.389  11.627   14.565  9.2205   14.823  16.958  6.3894 16.311  6.3677 0.6466637      9.020658  
1 1 1 0   24  10 o 116.341 2.0683 671.791  23.751  686.080  33.565  657.462  33.614  117.251 2.9003 114.749 2.9678 2.501366       4.149612  
1 1 1 0   24  11 o 120.854 2.1219 725.262  25.312  733.966  35.729  716.494  35.863  121.213 2.9864 119.738 3.0345 1.474907       4.257515  
1 1 1 0   24  12 o 47.601  2.7471 113.395  12.852  115.019  18.109  111.747  18.244  47.617  3.8869 46.900  3.9786 0.7166557      5.562102  
1 1 1 0   24  13 o 77.798  1.9455 300.409  14.940  305.727  23.018  296.538  19.638  78.185  2.9826 77.130  2.5796 1.055328       3.943411  
1 1 1 0   24  14 o 43.009  1.0369 91.447   4.4017  87.742   6.2546  95.083   6.1957  42.088  1.5056 43.821  1.4324 -1.732872      2.078110  
1 1 1 0   24  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   24  16 o 19.494  1.1872 18.871   2.2735  23.439   3.2193  14.327   3.2110  21.696  1.5128 16.867  1.9656 4.828505       2.480361  
1 1 1 0   24  17 o 13.565  5.4555 5.2395   11.190  6.2415   16.850  4.4490   14.966  15.994  6.5959 14.867  6.1807 1.127183       9.039177  
1 1 1 0   24  18 o 23.539  5.4725 30.071   12.474  23.807   18.122  35.711   17.195  21.221  7.2266 25.281  6.7599 -4.059870      9.895498  
1 1 1 0   24  19 o 32.876  1.3157 53.545   4.2695  56.112   6.0370  50.977   6.0391  33.546  1.8301 31.953  1.9238 1.593884       2.655264  
1 1 1 0   24  20 o 38.732  0.9842 74.211   3.7627  69.748   5.2934  78.770   5.3496  37.501  1.4301 39.862  1.3596 -2.361233      1.973255  
1 1 1 0   25  3  o 26.679  3.5115 36.441   9.0223  40.861   12.911  32.223   12.613  27.855  4.8735 24.523  5.3605 3.331656       7.244703  
1 1 1 0   25  4  o 26.273  8.2089 38.404   23.626  40.996   33.422  35.816   33.402  27.444  9.7830 26.309  9.7222 1.135256       13.79232  
1 1 1 0   25  5  o 46.868  7.5091 120.519  33.565  97.639   47.348  143.632  47.589  39.609  11.458 49.380  10.104 -9.771461      15.27717  
1 1 1 0   25  6  o 87.160  2.3378 378.294  20.112  396.791  24.458  339.662  35.347  89.100  2.7810 81.558  4.4072 7.542610       5.211308  
1 1 1 0   25  7  o 68.304  2.0013 231.785  13.492  227.292  17.599  238.191  21.014  67.473  2.6426 68.927  3.0888 -1.453804      4.064915  
1 1 1 0   25  8  o 84.561  1.7607 354.737  14.696  356.823  21.265  352.829  20.332  84.569  2.5476 84.129  2.4486 0.4398270      3.533506  
1 1 1 0   25  9  o 49.349  1.1783 120.472  5.7395  124.085  7.1573  113.964  9.6065  50.053  1.4487 47.886  2.0325 2.167336       2.495963  
1 1 1 0   25  10 o 36.681  3.8028 68.741   13.568  74.597   19.164  62.855   19.213  37.655  5.3031 34.266  5.8929 3.388470       7.927756  
1 1 1 0   25  11 o 13.850  5.7423 3.6534   12.869  5.4496   18.309  1.8998   18.091  16.372  6.8238 15.517  6.6394 0.8541975      9.520803  
1 1 1 0   25  12 f 27.572  5.2050 40.497   13.646  34.659   19.294  46.339   19.301  24.953  7.3424 28.892  6.8690 -3.939682      10.05454  
1 1 1 0   25  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 0   25  14 o 26.089  8.6910 38.535   26.210  46.948   36.562  29.641   37.592  28.479  10.224 25.205  10.047 3.273094       14.33396  
1 1 1 0   25  15 o 23.230  1.3659 26.826   3.1181  34.930   4.3617  18.355   4.4592  26.475  1.6778 19.021  2.4308 7.454266       2.953581  
1 1 1 0   25  16 o 48.666  2.1461 118.051  10.309  113.567  10.498  239.324  54.598  47.714  2.2290 64.095  8.8677 -16.38048      9.143549  
1 1 1 0   25  17 o 15.383  1.7719 11.915   2.6412  10.762   3.6583  13.169   3.8171  14.430  2.6666 16.040  2.4918 -1.609974      3.649662  
1 1 1 0   25  18 o 45.088  3.0480 103.065  13.485  109.130  18.909  96.788   19.236  45.854  4.2255 42.965  4.6079 2.889317       6.252028  
1 1 1 0   25  19 o 54.288  9.2158 180.705  47.616  222.283  85.804  162.202  57.238  49.853  15.655 47.798  12.116 2.054981       19.79592  
1 1 1 0   26  6  o 28.528  1.7539 40.567   4.9147  38.575   5.1545  60.499   16.304  27.793  1.8902 33.834  5.0356 -6.040930      5.378699  
1 1 1 0   26  7  o 73.688  1.8921 269.925  13.762  286.822  18.018  246.267  21.321  75.790  2.4086 69.967  3.0873 5.823395       3.915701  
1 1 1 0   26  8  o 32.517  3.7157 54.276   11.712  59.069   16.695  49.633   16.434  33.342  5.2464 30.317  5.7011 3.024837       7.747738  
1 1 1 0   26  9  o 46.100  1.6373 105.460  7.4503  107.667  8.1991  95.003   17.844  46.556  1.7843 42.892  4.2718 3.664444       4.629424  
1 1 1 0   26  10 o 27.209  0.8713 36.595   2.3401  35.512   3.2973  37.694   3.3215  26.781  1.2474 27.594  1.2195 -0.8122482     1.744462  
1 1 1 0   26  11 o 77.894  7.0266 332.774  53.442  307.080  75.524  358.541  75.632  69.609  11.386 76.856  10.224 -7.247810      15.30241  
1 1 1 0   26  12 o 56.538  7.5427 179.319  41.042  155.165  57.456  204.484  58.646  48.050  12.117 57.086  10.804 -9.036053      16.23411  
1 1 1 0   26  13 o 12.052  1.7817 7.3725   2.0555  1.6985   3.0166  12.290   2.8084  7.3676  2.8736 15.612  1.8591 -8.244291      3.422549  
1 1 1 0   26  14 o 32.043  1.4309 50.919   4.5255  52.948   6.2941  48.748   6.5115  32.547  1.9685 31.191  2.1277 1.355774       2.898668  
1 1 1 0   26  15 o 28.203  4.4166 41.995   11.891  46.924   17.071  37.350   16.573  29.047  6.1459 25.703  6.5219 3.344170       8.961444  
1 1 1 0   26  16 o 21.859  0.9593 23.640   2.0698  24.104   2.9103  23.165   2.9443  22.006  1.3463 21.565  1.3906 0.4410801      1.935568  
1 1 1 0   26  17 o 35.702  8.8951 79.615   31.231  67.743   43.829  91.862   44.514  31.100  11.191 35.951  11.273 -4.851042      15.88454  
1 1 1 1   -24 0  o 68.707  6.8599 252.542  45.899  256.184  64.683  248.849  65.142  66.286  10.214 65.041  10.505 1.245125       14.65235  
1 1 1 1   -23 0  o 38.152  2.2884 72.573   8.5778  71.323   11.824  73.961   12.462  37.636  3.2139 38.303  3.3295 -0.6671410     4.627549  
1 1 1 1   -23 1  o 69.225  1.6620 237.364  11.356  231.641  15.857  243.389  16.271  68.260  2.3535 69.969  2.3560 -1.708992      3.330127  
1 1 1 1   -23 2  o 36.534  2.7784 66.967   9.9441  68.693   16.424  65.969   12.495  36.479  4.6685 36.073  3.5554 0.4060631      5.868213  
1 1 1 1   -22 0  o 25.775  2.8269 33.453   7.0741  31.004   10.159  35.758   9.8567  24.471  4.3660 26.436  3.8941 -1.965748      5.850309  
1 1 1 1   -22 1  o 19.110  6.6989 17.199   15.614  56.849   37.989  9.1388   17.128  32.058  10.453 17.136  6.7970 14.92204       12.46855  
1 1 1 1   -22 2  o 13.184  6.0966 -13.7949 18.682  -13.7949 18.682  0.0000   0.0000  13.184  6.0966 ?       ?      0.000000       6.096623  
1 1 1 1   -22 3  o 32.209  2.2962 51.777   7.2521  47.992   10.138  55.743   10.378  30.795  3.3916 33.258  3.2010 -2.462454      4.663629  
1 1 1 1   -21 0  o 38.560  7.7704 79.233   28.552  79.432   40.038  79.027   40.728  37.910  10.391 37.797  10.527 0.1127892      14.79152  
1 1 1 1   -21 1  o 59.407  9.9236 192.725  56.137  0.0000   0.0000  192.725  56.137  ?       ?      59.407  9.9236 0.000000       9.923649  
1 1 1 1   -21 2  o 45.412  1.3940 101.962  6.2484  105.617  7.6296  94.516   10.889  46.200  1.6731 43.556  2.5439 2.643787       3.044802  
1 1 1 1   -21 3  o 46.638  1.6835 107.652  7.7496  108.972  10.699  106.195  11.240  46.864  2.3129 46.181  2.4750 0.6835747      3.387484  
1 1 1 1   -21 4  o 20.311  3.3065 21.102   6.4008  26.543   8.3617  13.402   9.9477  22.714  3.8683 16.462  5.3481 6.252274       6.600400  
1 1 1 1   -21 5  o 42.456  2.0465 89.369   8.5759  82.548   11.906  96.722   12.363  40.590  2.9930 43.981  2.8635 -3.390316      4.142144  
1 1 1 1   -20 0  o 70.724  2.5341 247.723  17.690  247.864  18.442  246.103  62.609  70.733  2.6414 68.374  9.5368 2.359360       9.895802  
1 1 1 1   -20 1  o 29.341  2.2930 42.882   6.5879  42.572   8.9178  43.255   9.7744  29.115  3.1536 29.301  3.4454 -0.1869488     4.670795  
1 1 1 1   -20 2  o 34.376  1.8414 58.621   6.2252  58.096   8.9395  59.115   8.6741  34.122  2.6757 34.437  2.5705 -0.3142433     3.710335  
1 1 1 1   -20 3  o 68.552  1.3807 232.275  9.3426  232.692  13.344  231.873  13.085  68.560  1.9719 68.443  1.9368 0.1170959      2.764018  
1 1 1 1   -20 4  o 25.223  2.3954 31.834   5.8918  35.038   8.3817  28.704   8.2837  26.320  3.2988 23.712  3.6569 2.608360       4.924925  
1 1 1 1   -20 5  o 41.366  1.9844 84.754   8.1023  85.524   9.6571  82.922   14.890  41.455  2.3700 40.561  3.7622 0.8944817      4.446412  
1 1 1 1   -20 6  o 15.768  4.0784 12.931   6.3950  12.456   7.5834  14.102   11.899  15.599  4.6069 17.205  5.8557 -1.606181      7.450687  
1 1 1 1   -20 7  o 58.471  10.114 190.729  56.260  190.729  56.260  0.0000   0.0000  58.471  10.114 ?       ?      0.000000       10.11425  
1 1 1 1   -19 0  o 50.095  1.4426 123.956  7.1331  141.111  11.562  113.415  9.0635  53.420  2.1928 47.902  1.9169 5.517395       2.912564  
1 1 1 1   -19 1  o 79.845  2.0313 315.206  16.009  310.763  16.415  401.692  72.425  79.276  2.0978 88.492  8.3922 -9.216042      8.650424  
1 1 1 1   -19 2  o 45.113  1.6260 100.569  7.2403  107.919  10.111  92.835   10.372  46.707  2.1932 43.240  2.4403 3.467262       3.281056  
1 1 1 1   -19 3  o 78.037  1.4003 300.871  10.786  297.001  15.404  304.594  15.108  77.487  2.0140 78.477  1.9504 -0.9897919     2.803624  
1 1 1 1   -19 4  f 88.869  1.4303 390.287  12.546  377.453  17.874  402.754  17.616  87.332  2.0735 90.222  1.9781 -2.890816      2.865759  
1 1 1 1   -19 5  o 125.920 1.7785 784.375  22.104  833.589  31.493  736.590  31.033  129.669 2.4606 121.864 2.5800 7.805054       3.565236  
1 1 1 1   -19 6  o 63.139  2.8290 198.047  17.631  0.0000   0.0000  198.047  17.631  ?       ?      63.139  2.8290 0.000000       2.828999  
1 1 1 1   -19 7  o 20.007  7.7148 14.698   21.550  0.0000   0.0000  14.698   21.550  ?       ?      20.007  7.7148 0.000000       7.714769  
1 1 1 1   -19 8  o 85.654  1.4236 362.768  12.035  355.757  16.457  370.830  17.647  84.749  1.9673 86.510  2.0667 -1.760429      2.853323  
1 1 1 1   -18 0  o 243.893 3.2288 2945.93  77.728  2974.40  105.232 2911.74  115.304 244.718 4.3566 241.951 4.8282 2.766464       6.503196  
1 1 1 1   -18 1  o 106.693 1.6163 562.302  17.021  578.303  24.238  546.735  23.908  108.152 2.2705 105.156 2.3034 2.996010       3.234335  
1 1 1 1   -18 2  o 54.552  1.9917 147.086  10.725  148.567  10.992  117.726  48.946  54.825  2.0312 46.960  10.787 7.864414       10.97644  
1 1 1 1   -18 3  o 69.443  1.3368 238.167  9.1629  235.467  12.901  240.915  13.016  69.023  1.8936 69.817  1.8888 -0.7941513     2.674605  
1 1 1 1   -18 4  o 80.078  1.3562 316.741  10.720  344.462  15.905  293.666  14.511  83.472  1.9304 77.074  1.9074 6.398392       2.713819  
1 1 1 1   -18 5  o 116.490 3.0370 673.088  34.920  659.244  103.764 674.856  37.083  112.531 9.4289 116.606 3.2219 -4.075020      9.964192  
1 1 1 1   -18 6  o 60.689  6.6327 188.974  39.085  201.739  55.498  176.413  55.053  61.599  9.4279 57.224  10.117 4.375023       13.82899  
1 1 1 1   -18 7  o 95.870  1.4795 454.335  14.000  481.498  20.032  428.398  19.575  98.620  2.0579 93.013  2.1322 5.607445       2.963328  
1 1 1 1   -18 8  o 62.427  1.1955 192.544  7.3665  191.877  10.374  193.222  10.462  62.284  1.6874 62.501  1.6959 -0.2172432     2.392417  
1 1 1 1   -18 9  o 31.971  1.7032 50.712   5.3553  53.277   6.8902  46.799   8.5111  32.723  2.1451 30.558  2.8548 2.165066       3.570951  
1 1 1 1   -17 0  o 46.514  1.3994 106.838  6.4249  97.645   9.8746  113.587  8.4607  44.390  2.2612 47.952  1.7876 -3.561993      2.882421  
1 1 1 1   -17 1  o 154.479 2.0223 1179.15  30.836  1191.41  43.664  1166.95  43.554  155.187 2.8506 153.583 2.8731 1.603882       4.047270  
1 1 1 1   -17 2  o 249.159 3.1736 3073.25  78.047  3091.46  110.392 3055.04  110.358 249.514 4.4824 248.032 4.5078 1.482483       6.357038  
1 1 1 1   -17 3  o 78.532  1.9169 304.724  14.858  304.724  14.858  0.0000   0.0000  78.532  1.9169 ?       ?      0.000000       1.916866  
1 1 1 1   -17 4  o 116.556 6.4799 682.327  74.254  714.299  105.105 650.469  104.917 118.296 9.0707 112.666 9.5237 5.630356       13.15214  
1 1 1 1   -17 5  o 64.084  6.5564 208.161  40.887  200.021  57.855  216.283  57.791  61.821  9.8090 64.493  9.3513 -2.671936      13.55226  
1 1 1 1   -17 6  o 67.905  1.2727 227.741  8.5306  233.718  11.792  221.180  12.356  68.768  1.7373 66.890  1.8714 1.877563       2.553504  
1 1 1 1   -17 7  o 113.479 1.5380 636.379  17.227  661.047  24.528  612.366  24.201  115.585 2.1500 111.240 2.2041 4.344666       3.079059  
1 1 1 1   -17 8  o 31.875  1.2963 50.198   4.0784  50.287   5.4966  50.089   6.0833  31.840  1.7558 31.758  1.9501 0.8177185E-01  2.624047  
1 1 1 1   -17 9  o 104.338 1.4882 538.131  15.327  551.284  21.338  524.112  22.029  105.530 2.0485 102.878 2.1694 2.652504       2.983724  
1 1 1 1   -17 10 o 52.679  1.1164 137.086  5.8046  131.526  7.6119  144.811  8.9729  51.580  1.4951 54.110  1.6801 -2.529945      2.249007  
1 1 1 1   -16 0  o 81.995  1.2755 331.946  10.323  327.259  15.173  335.985  14.084  81.394  1.8887 82.478  1.7300 -1.084152      2.561274  
1 1 1 1   -16 1  o 41.332  1.4004 84.353   5.7131  95.867   8.8066  75.986   7.5071  44.050  2.0255 39.219  1.9393 4.830833       2.804168  
1 1 1 1   -16 2  o 121.505 1.6319 729.126  19.571  752.463  28.101  707.143  27.274  123.391 2.3073 119.617 2.3100 3.773697       3.264975  
1 1 1 1   -16 3  o 134.501 6.5084 903.202  86.404  897.776  123.394 908.421  121.028 132.937 9.4659 133.823 9.2189 -0.8863525     13.21329  
1 1 1 1   -16 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -16 5  o 144.143 1.8637 1026.50  26.516  1018.98  37.396  1034.09  37.604  143.537 2.6396 144.598 2.6347 -1.060730      3.729475  
1 1 1 1   -16 6  o 94.264  1.3252 438.795  12.330  464.902  17.808  414.755  17.089  96.999  1.8600 91.617  1.8897 5.382370       2.651569  
1 1 1 1   -16 7  o 48.314  1.0775 115.257  5.1386  124.077  7.3917  107.008  7.1484  50.118  1.4942 46.541  1.5561 3.576637       2.157352  
1 1 1 1   -16 8  o 123.974 1.6399 759.529  20.066  766.987  28.407  752.102  28.350  124.499 2.3117 123.282 2.3298 1.216629       3.282017  
1 1 1 1   -16 9  f 129.025 1.7715 823.132  22.561  863.245  31.939  783.187  31.873  132.018 2.4511 125.725 2.5684 6.292892       3.550312  
1 1 1 1   -16 10 o 28.842  2.1715 41.417   6.1367  64.346   30.454  40.446   6.2652  34.557  8.8805 28.492  2.2460 6.065174       9.160133  
1 1 1 1   -16 11 o 34.540  2.1084 59.284   7.1535  71.208   47.857  59.011   7.2348  36.286  11.725 34.457  2.1378 1.829227       11.91832  
1 1 1 1   -15 0  o 159.622 2.0193 1258.63  31.814  1245.01  45.039  1272.20  44.945  158.678 2.8757 160.405 2.8388 -1.727051      4.040802  
1 1 1 1   -15 1  o 152.666 6.6092 1162.17  99.592  1147.75  140.576 1176.69  141.114 150.615 9.5048 152.542 9.4184 -1.926880      13.38087  
1 1 1 1   -15 2  o 34.189  7.1839 60.545   23.472  58.453   32.131  62.938   34.371  33.568  9.3505 34.798  9.6632 -1.230106      13.44648  
1 1 1 1   -15 3  o 116.419 1.7607 669.396  20.232  657.213  25.176  691.606  33.994  115.330 2.2117 118.257 2.9123 -2.927139      3.656925  
1 1 1 1   -15 4  o 49.690  1.1480 121.896  5.6304  131.490  8.3556  113.916  7.6204  51.600  1.6406 48.029  1.6075 3.571274       2.296838  
1 1 1 1   -15 5  o 96.216  1.3104 457.078  12.445  455.306  17.551  458.870  17.648  96.008  1.8521 96.382  1.8551 -0.3749008     2.621409  
1 1 1 1   -15 6  o 97.132  1.3404 465.845  12.851  474.383  18.196  457.348  18.153  97.994  1.8812 96.217  1.9114 1.777077       2.681876  
1 1 1 1   -15 7  o 188.758 2.3780 1761.47  44.305  1803.99  62.738  1719.17  62.576  190.861 3.3303 186.306 3.4029 4.555161       4.761355  
1 1 1 1   -15 8  o 10.854  3.0510 5.9908   3.4047  6.3862   5.2554  5.7048   4.4694  11.679  3.8918 10.955  3.5860 0.7247324      5.292007  
1 1 1 1   -15 9  o 133.637 1.7421 882.574  22.980  877.965  32.470  887.199  32.526  133.197 2.4697 133.896 2.4611 -0.6998444     3.486655  
1 1 1 1   -15 10 o 86.300  7.6146 381.965  64.198  388.269  78.244  368.981  112.298 86.212  9.3445 80.989  14.584 5.223473       17.32116  
1 1 1 1   -15 11 o 87.693  6.4960 391.588  55.827  392.139  79.043  391.039  78.861  86.321  9.4306 86.204  9.4218 0.1174164      13.33060  
1 1 1 1   -15 12 o 69.011  6.5198 243.727  43.884  227.665  61.488  260.403  62.652  65.229  9.8578 70.129  9.2790 -4.900642      13.53796  
1 1 1 1   -14 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -14 1  o 64.570  8.9309 212.887  55.395  164.424  77.840  262.617  78.851  55.541  14.157 71.116  11.636 -15.57495      18.32525  
1 1 1 1   -14 2  o 71.955  1.0675 255.585  7.5814  260.481  10.827  250.875  10.619  72.632  1.5103 71.280  1.5094 1.351799       2.135203  
1 1 1 1   -14 3  f 75.725  1.0593 283.071  7.9174  300.517  11.375  266.675  11.027  78.015  1.4772 73.490  1.5202 4.525024       2.119688  
1 1 1 1   -14 4  o 181.044 2.2776 1619.51  40.700  1601.89  57.510  1637.19  57.607  179.948 3.2379 181.924 3.2081 -1.975983      4.558091  
1 1 1 1   -14 5  o 17.451  1.5677 15.159   2.6715  10.869   3.9884  18.650   3.5978  14.573  2.8748 19.338  1.9099 -4.764230      3.451461  
1 1 1 1   -14 6  o 69.492  1.0050 238.384  6.8936  227.164  9.6964  249.851  9.8026  67.828  1.4483 71.136  1.3961 -3.307716      2.011663  
1 1 1 1   -14 7  o 53.044  0.8762 138.885  4.5876  131.732  6.7999  144.860  6.2152  51.653  1.3338 54.168  1.1624 -2.515549      1.769233  
1 1 1 1   -14 8  o 230.027 2.8566 2617.38  64.858  2631.66  91.756  2603.12  91.690  230.388 4.0350 229.131 4.0542 1.257324       5.719938  
1 1 1 1   -14 9  o 28.657  1.2958 40.553   3.6652  41.557   6.6568  40.115   4.3907  28.896  2.3544 28.455  1.5693 0.4406643      2.829506  
1 1 1 1   -14 10 o 41.354  6.8578 88.188   27.011  75.417   38.197  100.962  38.202  37.649  10.079 43.722  9.1462 -6.073112      13.61012  
1 1 1 1   -14 11 o 97.521  2.4106 470.762  23.204  464.838  24.099  546.063  85.922  96.892  2.5199 102.960 8.5316 -6.067970      8.896004  
1 1 1 1   -14 12 o 52.226  6.6200 140.143  33.360  136.887  47.693  143.261  46.679  50.444  9.9322 51.810  9.4772 -1.365475      13.72829  
1 1 1 1   -14 13 o 67.626  6.5235 233.818  43.003  265.466  61.170  202.893  60.468  71.082  8.9146 61.367  10.351 9.715000       13.66082  
1 1 1 1   -13 0  o 73.083  1.1502 263.645  8.2969  268.980  12.449  259.382  11.129  73.810  1.7088 72.484  1.5555 1.326218       2.310769  
1 1 1 1   -13 1  o 51.653  0.9423 131.692  4.8044  131.964  7.0691  131.459  6.5495  51.702  1.3852 51.604  1.2858 0.9778214E-01  1.890049  
1 1 1 1   -13 2  o 19.246  1.4769 18.396   2.7843  19.928   3.9811  16.928   3.8954  19.983  2.0473 18.383  2.1900 1.599787       2.997942  
1 1 1 1   -13 3  o 103.905 1.3515 533.007  13.860  568.344  19.779  498.911  19.429  107.277 1.8680 100.507 1.9585 6.769661       2.706446  
1 1 1 1   -13 4  o 114.647 1.4771 648.974  16.715  655.263  23.630  642.674  23.648  115.176 2.0785 114.064 2.1005 1.112831       2.955048  
1 1 1 1   -13 5  o 84.503  1.1163 352.504  9.3110  343.191  13.139  361.899  13.197  83.368  1.5967 85.611  1.5618 -2.243050      2.233498  
1 1 1 1   -13 6  o 10.654  2.5477 5.8357   2.6429  8.4766   3.5060  2.3601   4.0221  12.844  2.8409 8.6309  3.3315 4.212788       4.378335  
1 1 1 1   -13 7  o 22.942  1.1817 26.053   2.6668  26.829   4.0912  25.480   3.5167  23.238  1.7977 22.661  1.5822 0.5771618      2.394782  
1 1 1 1   -13 8  o 112.871 1.5089 629.080  16.810  639.529  23.769  618.625  23.776  113.775 2.1166 111.898 2.1527 1.877029       3.018960  
1 1 1 1   -13 9  o 72.300  6.2836 262.579  44.396  260.197  62.913  264.941  62.658  71.279  9.1537 71.973  9.0181 -0.6941071     12.84971  
1 1 1 1   -13 10 o 33.705  0.9553 56.080   3.1781  57.710   4.5947  54.584   4.4007  34.186  1.3617 33.248  1.3410 0.9386215      1.911129  
1 1 1 1   -13 11 o 86.760  2.1701 372.167  18.584  370.503  19.172  398.028  75.583  86.560  2.2440 88.085  8.8115 -1.525024      9.092756  
1 1 1 1   -13 12 o 120.068 6.4754 728.078  76.458  694.007  108.011 762.297  108.244 115.688 9.5443 121.546 9.0883 -5.858292      13.17917  
1 1 1 1   -13 13 o 94.004  6.3642 448.117  58.702  445.431  83.075  450.796  82.960  92.380  9.2345 92.981  9.1583 -0.6003876     13.00579  
1 1 1 1   -13 14 o 57.454  6.4485 169.006  35.937  167.356  50.877  170.650  50.770  56.024  9.5425 56.640  9.4115 -0.6161652     13.40286  
1 1 1 1   -12 0  o 258.852 3.2512 3310.52  83.068  3319.71  112.655 3299.58  122.973 259.089 4.4052 258.249 4.8243 0.8401184      6.533015  
1 1 1 1   -12 1  o 136.817 1.7364 924.150  23.448  956.662  33.282  892.104  33.042  139.179 2.4227 134.398 2.4908 4.780853       3.474702  
1 1 1 1   -12 2  f 158.012 1.9778 1232.86  30.847  1209.17  43.577  1256.66  43.671  156.442 2.8221 159.487 2.7742 -3.045090      3.957317  
1 1 1 1   -12 3  o 68.461  0.9386 231.341  6.3422  241.540  9.2925  222.447  8.6776  69.949  1.3459 67.128  1.3097 2.820999       1.877956  
1 1 1 1   -12 4  o 66.121  0.8985 215.794  5.8638  204.729  8.2626  227.021  8.3231  64.398  1.2999 67.814  1.2435 -3.416306      1.798877  
1 1 1 1   -12 5  o 123.655 1.5811 754.981  19.298  723.964  27.223  786.310  27.360  121.057 2.2783 126.167 2.1970 -5.109344      3.165076  
1 1 1 1   -12 6  o 108.583 1.3924 582.093  14.923  566.724  21.007  597.751  21.203  107.118 1.9868 110.013 1.9527 -2.894630      2.785744  
1 1 1 1   -12 7  o 99.649  1.7937 490.386  17.642  451.497  87.358  492.040  18.013  94.323  9.5132 99.816  1.8284 -5.493240      9.687283  
1 1 1 1   -12 8  o 96.308  6.1944 463.357  58.571  429.418  82.675  497.554  82.990  92.013  9.2275 99.286  8.5519 -7.273560      12.58099  
1 1 1 1   -12 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -12 10 o 36.760  0.7908 66.698   2.8693  66.627   3.9952  66.774   4.1235  36.737  1.1018 36.777  1.1359 -0.4008865E-01 1.582495  
1 1 1 1   -12 11 o 120.960 2.0661 722.996  24.667  719.475  34.991  726.474  34.779  120.587 2.9398 121.175 2.9079 -0.5885086     4.135020  
1 1 1 1   -12 12 o 152.320 6.6649 1164.07  100.204 1142.59  141.657 1185.58  141.762 149.291 9.6651 152.188 9.4844 -2.896637      13.54138  
1 1 1 1   -12 13 o 50.248  9.5077 133.715  45.428  128.666  63.568  138.985  64.944  48.293  13.033 50.164  13.007 -1.870800      18.41357  
1 1 1 1   -12 14 o 141.893 6.6298 1017.89  92.852  1024.38  131.394 1011.42  131.231 140.288 9.5458 139.354 9.5993 0.9341736      13.53770  
1 1 1 1   -12 15 o 63.348  6.4262 204.879  39.625  201.501  56.081  208.247  55.994  61.636  9.5254 62.766  9.3214 -1.130188      13.32754  
1 1 1 1   -11 0  o 261.540 3.2767 3378.74  84.587  3199.77  125.244 3528.84  114.699 254.375 4.9883 267.199 4.3490 -12.82413      6.617922  
1 1 1 1   -11 1  o 271.732 3.3739 3647.68  90.490  3636.18  133.876 3657.36  122.786 271.141 5.0024 271.978 4.5738 -0.8372498     6.778176  
1 1 1 1   -11 2  o 244.261 2.9507 2947.07  71.139  2953.80  100.603 2940.35  100.608 244.432 4.1698 243.874 4.1796 0.5579071      5.903924  
1 1 1 1   -11 3  o 77.305  1.0112 294.965  7.7158  276.993  10.802  313.691  11.025  74.908  1.4609 79.717  1.4012 -4.808655      2.024288  
1 1 1 1   -11 4  o 177.609 2.2143 1557.88  38.817  1551.99  54.884  1563.77  54.909  177.212 3.1377 177.884 3.1273 -0.6717834     4.430062  
1 1 1 1   -11 5  o 156.885 2.0590 1215.52  31.883  1214.59  45.086  1216.46  45.094  156.771 2.9137 156.892 2.9120 -0.1204834     4.119345  
1 1 1 1   -11 6  o 75.560  0.9802 281.816  7.3107  278.086  10.232  285.705  10.449  75.052  1.3812 76.073  1.3916 -1.020950      1.960707  
1 1 1 1   -11 7  o 56.791  6.2404 162.229  34.404  153.024  49.058  171.137  48.260  54.477  9.4671 57.856  8.7218 -3.378654      12.87229  
1 1 1 1   -11 8  o 56.998  6.3214 163.525  34.965  174.367  49.521  152.747  49.375  58.359  8.8768 54.393  9.5448 3.966389       13.03465  
1 1 1 1   -11 9  o 48.373  0.6830 115.491  3.2609  116.155  4.5887  114.815  4.6349  48.509  0.9584 48.229  0.9736 0.2808189      1.366174  
1 1 1 1   -11 10 o 55.446  0.7292 151.738  3.9907  145.228  5.5420  158.749  5.7510  54.240  1.0352 56.709  1.0274 -2.468952      1.458503  
1 1 1 1   -11 11 o 52.564  0.9349 136.387  4.8505  168.804  7.7891  115.853  6.1992  58.471  1.3496 48.441  1.2965 10.03045       1.871491  
1 1 1 1   -11 12 o 154.203 6.7748 1189.06  103.114 1182.51  145.802 1195.62  145.849 152.433 9.7415 153.304 9.6885 -0.8706818     13.73918  
1 1 1 1   -11 13 o 129.005 6.4949 836.046  82.437  852.550  116.658 819.585  116.508 129.140 9.2125 126.519 9.3969 2.621460       13.15947  
1 1 1 1   -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -11 15 f 28.982  7.1503 44.244   20.328  46.183   29.052  42.384   28.454  29.781  9.0685 28.717  9.0146 1.063522       12.78676  
1 1 1 1   -11 16 o 63.118  6.5547 203.613  40.241  192.836  56.989  214.329  56.828  60.106  9.9543 63.717  9.3107 -3.611217      13.63004  
1 1 1 1   -10 0  o 147.919 2.0415 1080.12  29.806  1092.88  37.876  1059.37  48.303  148.777 2.5793 146.456 3.3415 2.321274       4.221137  
1 1 1 1   -10 1  o 333.984 3.9527 5510.83  130.301 5502.04  184.335 5519.61  184.214 333.538 5.5992 334.072 5.5866 -0.5337830     7.909592  
1 1 1 1   -10 2  o 93.363  1.1887 430.225  10.954  400.042  15.375  461.342  15.611  90.023  1.7303 96.675  1.6359 -6.652695      2.381227  
1 1 1 1   -10 3  o 70.960  0.9290 248.521  6.5071  252.234  9.2505  244.884  9.1550  71.486  1.3110 70.436  1.3168 1.049362       1.858181  
1 1 1 1   -10 4  o 206.070 2.5242 2097.11  51.342  2034.96  72.564  2159.43  72.653  202.922 3.6229 209.044 3.5212 -6.121841      5.052137  
1 1 1 1   -10 5  o 131.764 1.6687 857.128  21.702  843.040  30.645  871.303  30.738  130.653 2.3763 132.826 2.3446 -2.173233      3.338277  
1 1 1 1   -10 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -10 7  o 69.433  6.1017 241.233  41.392  233.402  58.540  249.063  58.536  67.743  8.9759 70.089  8.6445 -2.345177      12.46172  
1 1 1 1   -10 8  o 83.455  1.0547 343.795  8.6875  355.650  12.324  332.084  12.249  84.874  1.4711 82.013  1.5131 2.861000       2.110356  
1 1 1 1   -10 9  o 55.821  7.2404 157.814  38.953  163.178  67.579  155.145  47.668  55.622  12.601 54.944  9.1087 0.6783028      15.54861  
1 1 1 1   -10 10 o 78.352  0.9649 303.030  7.4625  289.139  10.411  317.707  10.702  76.528  1.3783 80.220  1.3515 -3.692162      1.930420  
1 1 1 1   -10 11 o 102.358 1.8025 517.425  18.211  525.232  25.786  509.657  25.724  103.093 2.5341 101.551 2.5663 1.541794       3.606594  
1 1 1 1   -10 12 o 124.414 6.5092 773.604  79.656  743.568  112.604 803.689  112.698 121.114 9.4956 126.069 9.1183 -4.955559      13.16469  
1 1 1 1   -10 13 o 51.890  6.3641 136.361  31.912  144.296  45.758  128.846  44.528  52.747  9.1188 49.701  9.4217 3.045826       13.11185  
1 1 1 1   -10 14 o 156.730 6.7094 1232.36  103.793 1223.01  146.816 1241.71  146.755 154.512 9.6754 155.742 9.5935 -1.229126      13.62528  
1 1 1 1   -10 15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -10 16 o 56.471  6.5575 162.995  35.870  170.775  50.978  155.365  50.483  56.844  9.4153 54.006  9.8326 2.837990       13.61351  
1 1 1 1   -10 17 o 41.745  6.8791 90.542   27.357  86.637   38.923  94.353   38.459  39.992  9.9109 41.846  9.5251 -1.853996      13.74600  
1 1 1 1   -9  0  o 271.460 3.3920 3639.40  90.886  3677.59  123.207 3593.80  134.614 272.801 4.5757 269.636 5.0580 3.164948       6.820613  
1 1 1 1   -9  1  o 140.785 1.8226 978.377  25.327  920.693  35.776  1036.33  35.859  136.555 2.6543 144.881 2.5076 -8.325211      3.651494  
1 1 1 1   -9  2  o 206.701 2.5249 2109.46  51.514  2224.51  72.903  1994.74  72.800  212.223 3.4803 200.955 3.6703 11.26797       5.058002  
1 1 1 1   -9  3  o 456.764 5.2579 10316.32 237.050 10150.50 335.130 10482.36 335.348 452.628 7.5013 459.995 7.3860 -7.367035      10.52726  
1 1 1 1   -9  4  o 297.254 8.2895 4384.01  243.215 4420.41  343.944 4347.59  343.972 297.702 11.705 295.213 11.805 2.488861       16.62402  
1 1 1 1   -9  5  o 19.536  6.2302 18.484   13.546  19.545   18.930  17.370   19.391  21.100  7.3770 20.574  7.4379 0.5252724      10.47579  
1 1 1 1   -9  6  o 221.299 7.2842 2431.85  159.108 2439.10  225.015 2424.61  225.012 220.946 10.318 220.281 10.349 0.6655884      14.61368  
1 1 1 1   -9  7  o 60.222  0.7460 178.996  4.4345  186.510  6.1543  170.881  6.3953  61.471  1.0143 58.838  1.1012 2.632675       1.497159  
1 1 1 1   -9  8  o 15.815  0.9194 12.387   1.4289  10.881   1.8252  14.770   2.2964  14.792  1.2622 17.244  1.3603 -2.451150      1.855671  
1 1 1 1   -9  9  o 124.536 1.5531 765.735  19.091  789.154  26.970  742.220  27.026  126.401 2.1617 122.581 2.2337 3.819740       3.108449  
1 1 1 1   -9  10 o 94.283  6.1677 443.608  57.081  444.538  80.761  442.680  80.689  93.844  8.8225 93.644  8.8341 0.2004013      12.48507  
1 1 1 1   -9  11 o 149.270 2.5272 1100.98  37.234  1144.04  52.688  1058.01  52.626  152.074 3.5101 146.231 3.6461 5.843155       5.061126  
1 1 1 1   -9  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -9  13 o 16.733  6.2445 10.547   13.846  18.193   20.064  3.5948   19.133  20.907  7.5647 16.877  7.0000 4.030602       10.30654  
1 1 1 1   -9  14 o 116.406 7.4169 682.030  84.774  718.310  147.461 664.120  103.607 117.209 12.963 114.239 9.2683 2.969902       15.93577  
1 1 1 1   -9  15 o 51.215  6.5093 133.509  32.162  143.512  45.833  123.807  45.142  52.399  9.1973 48.424  9.7813 3.975048       13.42623  
1 1 1 1   -9  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -9  17 o 72.209  6.3677 264.766  44.919  273.736  63.142  255.574  63.917  72.440  9.0268 69.749  9.5338 2.690384       13.12917  
1 1 1 1   -9  18 o 22.104  6.8920 24.735   16.664  21.449   24.087  27.751   23.077  22.498  8.2657 23.991  8.1550 -1.492895      11.61150  
1 1 1 1   -8  0  o 141.210 2.4154 984.467  33.666  976.515  34.891  1091.81  128.189 140.636 2.5135 148.097 8.8091 -7.461121      9.160726  
1 1 1 1   -8  1  o 355.737 4.1821 6252.21  146.843 6182.58  207.659 6321.85  207.676 353.554 5.9506 357.523 5.8850 -3.968567      8.369200  
1 1 1 1   -8  2  o 154.535 6.5170 1181.57  99.405  1177.91  140.554 1185.24  140.605 153.816 9.3016 154.300 9.2752 -0.4843597     13.13581  
1 1 1 1   -8  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -8  4  o 252.070 7.6505 3148.19  190.345 3121.67  268.152 3175.14  270.238 250.508 10.845 252.645 10.837 -2.137711      15.33133  
1 1 1 1   -8  5  o 139.839 1.7631 965.283  24.335  967.666  34.362  962.886  34.469  139.996 2.4867 139.649 2.5007 0.3465729      3.526643  
1 1 1 1   -8  6  o 145.988 1.8216 1052.12  26.249  1100.20  37.128  1004.08  37.114  149.267 2.5200 142.594 2.6369 6.673294       3.647476  
1 1 1 1   -8  7  o 332.846 3.9802 5477.13  130.761 5504.03  184.957 5450.25  184.891 333.372 5.6209 331.734 5.6467 1.637817       7.967421  
1 1 1 1   -8  8  o 91.821  1.1479 416.167  10.403  408.376  14.665  424.059  14.760  90.949  1.6336 92.680  1.6135 -1.730324      2.296127  
1 1 1 1   -8  9  o 120.228 1.4889 713.623  17.669  719.972  24.942  707.229  25.033  120.741 2.0929 119.667 2.1194 1.074364       2.978599  
1 1 1 1   -8  10 o 239.237 2.8998 2828.70  68.475  2810.44  96.810  2846.98  96.865  238.290 4.1161 239.838 4.0918 -1.548325      5.803871  
1 1 1 1   -8  11 o 232.517 4.8606 2679.49  111.553 2749.77  124.838 2401.00  248.498 235.436 5.3721 217.661 11.609 17.77512       12.79136  
1 1 1 1   -8  12 o 191.939 3.2312 1821.74  61.215  1882.94  88.909  1766.58  84.408  194.936 4.6208 188.832 4.5287 6.104630       6.470029  
1 1 1 1   -8  13 o 217.518 5.7019 2350.69  122.420 0.0000   0.0000  2350.69  122.420 ?       ?      217.518 5.7019 0.000000       5.701947  
1 1 1 1   -8  14 o 227.401 7.4347 2585.64  166.874 2539.62  235.998 2631.66  235.994 223.826 10.682 227.954 10.489 -4.127869      14.97075  
1 1 1 1   -8  15 o 138.258 6.4856 955.320  88.507  969.093  125.248 941.584  125.087 138.081 9.2432 136.043 9.3726 2.037521       13.16368  
1 1 1 1   -8  16 o 49.593  6.6973 125.626  31.945  120.556  44.635  130.949  45.740  47.730  9.8025 49.836  9.6472 -2.106270      13.75346  
1 1 1 1   -8  17 o 63.584  6.3734 205.379  39.460  217.352  56.132  193.679  55.485  64.532  9.0623 60.661  9.5852 3.871128       13.19093  
1 1 1 1   -8  18 o 34.671  7.0875 63.000   23.436  65.135   33.461  60.945   32.834  34.905  9.4710 33.822  9.4633 1.082912       13.38864  
1 1 1 1   -7  0  o 231.166 7.3562 2650.21  167.846 2661.01  237.393 2639.41  237.348 231.072 10.408 230.123 10.449 0.9485931      14.74878  
1 1 1 1   -7  1  o 92.294  6.0691 423.347  54.980  447.462  77.819  399.311  77.689  94.603  8.4219 89.249  8.9393 5.354462       12.28172  
1 1 1 1   -7  2  o 181.986 6.8359 1639.32  122.791 1595.09  173.613 1683.59  173.692 178.960 9.8667 183.916 9.6014 -4.955902      13.76736  
1 1 1 1   -7  3  o 440.430 5.1093 9587.87  222.110 9747.46  314.113 9428.29  314.109 443.751 7.1715 436.404 7.2922 7.347778       10.22777  
1 1 1 1   -7  4  o 106.646 1.3395 561.354  14.101  528.939  19.837  594.458  20.047  103.515 1.9415 109.740 1.8507 -6.225052      2.682311  
1 1 1 1   -7  5  o 221.372 2.7022 2419.63  59.043  2312.83  83.444  2526.72  83.555  216.378 3.9070 226.171 3.7429 -9.792755      5.410541  
1 1 1 1   -7  6  o 252.081 3.0436 3138.06  75.729  3116.49  107.141 3159.60  107.052 251.132 4.3224 252.865 4.2892 -1.733246      6.089329  
1 1 1 1   -7  7  o 123.977 1.5551 758.711  19.030  737.563  26.866  780.007  26.960  122.224 2.2269 125.693 2.1731 -3.468887      3.111502  
1 1 1 1   -7  8  o 151.855 1.8775 1138.49  28.141  1158.96  39.759  1117.94  39.836  153.186 2.6296 150.448 2.6826 2.737991       3.756433  
1 1 1 1   -7  9  o 44.974  0.5395 99.827   2.3949  108.606  3.3937  91.117   3.3801  46.909  0.7330 42.966  0.7970 3.942913       1.082799  
1 1 1 1   -7  10 o 107.501 1.5075 570.536  15.996  526.300  27.140  594.083  19.801  103.210 2.6641 109.688 1.8289 -6.477463      3.231455  
1 1 1 1   -7  11 o 286.931 4.5397 4077.28  128.570 4122.53  181.851 4032.05  181.801 288.027 6.3966 284.827 6.4667 3.200012       9.095858  
1 1 1 1   -7  12 o 304.323 4.1041 4584.26  123.279 4674.50  202.107 4530.79  155.572 306.550 6.6795 302.266 5.2145 4.284424       8.473900  
1 1 1 1   -7  13 o 229.909 3.7683 2615.62  85.514  2552.82  120.938 2678.42  120.932 226.813 5.4021 232.356 5.2729 -5.542938      7.548923  
1 1 1 1   -7  14 f 90.006  1.5373 399.996  13.657  422.463  19.491  378.327  19.142  92.478  2.1354 87.510  2.2161 4.967140       3.077507  
1 1 1 1   -7  15 o 182.074 3.9516 1642.35  71.015  1663.76  77.612  1532.21  176.028 183.194 4.2922 173.656 10.316 9.537506       11.17337  
1 1 1 1   -7  16 o 78.118  1.8309 301.486  14.117  364.516  67.872  298.635  14.433  84.663  8.2259 77.745  1.8808 6.917465       8.438158  
1 1 1 1   -7  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -7  18 o 57.055  7.4092 167.567  40.740  142.561  70.064  180.340  50.076  50.528  13.703 58.708  8.9226 -8.180031      16.35169  
1 1 1 1   -7  19 o 79.455  6.5155 320.841  50.649  311.629  71.695  330.018  71.561  77.005  9.6442 79.435  9.3033 -2.430336      13.40002  
1 1 1 1   -6  0  o 96.682  6.0692 465.185  57.623  472.878  81.534  457.507  81.449  97.079  8.5980 95.449  8.7424 1.629684       12.26196  
1 1 1 1   -6  1  o 249.406 2.9978 3072.79  73.797  3098.51  104.426 3047.13  104.304 250.328 4.2263 248.241 4.2569 2.087433       5.998621  
1 1 1 1   -6  2  o 123.614 1.5144 754.260  18.478  773.208  26.141  735.340  26.122  125.145 2.1163 122.041 2.1685 3.104118       3.030073  
1 1 1 1   -6  3  o 235.560 2.8573 2739.94  66.434  2749.34  93.946  2730.53  93.958  235.900 4.0347 235.091 4.0492 0.8091888      5.716196  
1 1 1 1   -6  4  o 316.631 3.7310 4951.79  116.602 4824.94  164.876 5078.71  164.924 312.416 5.3468 320.540 5.2128 -8.123688      7.467328  
1 1 1 1   -6  5  o 460.884 6.0999 10505.22 277.490 10861.06 392.440 10149.42 392.419 468.161 8.4927 452.498 8.7862 15.66226       12.21976  
1 1 1 1   -6  6  o 384.738 4.4548 7314.04  169.171 7222.21  239.219 7405.90  239.270 382.079 6.3432 386.919 6.2652 -4.839996      8.915668  
1 1 1 1   -6  7  o 246.318 2.9797 2996.10  72.443  2975.17  102.436 3017.04  102.465 245.381 4.2294 247.104 4.2011 -1.722519      5.961290  
1 1 1 1   -6  8  o 356.548 4.2100 6283.37  148.160 6307.56  209.519 6259.17  209.541 356.967 5.9465 355.591 5.9701 1.376007       8.426366  
1 1 1 1   -6  9  o 70.144  0.8417 242.839  5.8275  235.042  8.1931  250.821  8.2906  69.006  1.2029 71.285  1.1783 -2.278885      1.683842  
1 1 1 1   -6  10 o 125.430 1.6059 776.712  19.882  778.209  28.138  775.219  28.097  125.529 2.2710 125.287 2.2721 0.2414780      3.212448  
1 1 1 1   -6  11 o 99.886  1.2419 492.516  12.244  462.933  17.294  522.253  17.339  96.827  1.8095 102.846 1.7080 -6.019608      2.488304  
1 1 1 1   -6  12 o 73.749  0.9288 268.463  6.7609  243.846  9.5950  292.736  9.5279  70.281  1.3832 77.007  1.2535 -6.726059      1.866685  
1 1 1 1   -6  13 o 90.020  1.1235 400.021  9.9823  395.713  14.132  404.310  14.102  89.524  1.5993 90.492  1.5788 -0.9678268     2.247351  
1 1 1 1   -6  14 o 252.453 3.3418 3151.98  83.270  3147.83  117.796 3156.13  117.727 252.017 4.7355 252.352 4.7265 -0.3341064     6.690642  
1 1 1 1   -6  15 o 139.147 1.7551 956.168  24.105  934.337  34.156  977.831  34.024  137.501 2.5167 140.670 2.4505 -3.168900      3.512634  
1 1 1 1   -6  16 o 75.597  0.9648 282.108  7.1987  314.346  10.485  253.362  9.9009  79.791  1.3313 71.632  1.4003 8.158463       1.932200  
1 1 1 1   -6  17 o 105.723 1.3465 551.968  14.051  543.691  19.934  560.142  19.810  104.894 1.9254 106.471 1.8850 -1.577896      2.694503  
1 1 1 1   -6  18 o 76.958  1.1693 292.470  8.8824  290.324  10.795  296.969  15.629  76.664  1.4266 77.499  2.0432 -0.8354034     2.491948  
1 1 1 1   -6  19 o 76.559  1.8777 289.782  14.189  302.174  66.621  289.193  14.522  76.216  9.0315 76.477  1.9238 -0.2609177     9.234170  
1 1 1 1   -6  20 o 105.227 7.4434 566.607  76.810  541.768  93.828  617.073  133.740 101.794 9.4461 106.132 13.041 -4.337631      16.10286  
1 1 1 1   -5  0  o 80.827  1.1118 322.464  8.8701  311.220  12.484  333.926  12.605  79.400  1.5930 82.246  1.5527 -2.846024      2.224531  
1 1 1 1   -5  1  o 302.696 3.7406 4529.63  111.759 4644.22  151.683 4393.54  165.296 306.292 5.0173 297.793 5.6236 8.498474       7.536441  
1 1 1 1   -5  2  o 127.743 2.1375 805.764  26.951  741.392  110.598 809.828  27.789  121.611 9.2840 128.062 2.1985 -6.451073      9.540747  
1 1 1 1   -5  3  o 58.529  0.7684 169.074  4.4393  168.566  7.5220  169.346  5.4991  58.438  1.3041 58.576  0.9511 -0.1371651     1.614092  
1 1 1 1   -5  4  o 282.607 3.7892 3945.42  105.698 3947.68  173.647 3944.08  133.221 282.453 6.2286 282.477 4.7781 -0.2468872E-01 7.850184  
1 1 1 1   -5  5  o 208.922 2.5126 2154.91  51.813  2130.22  73.247  2179.63  73.303  207.683 3.5732 210.079 3.5351 -2.396011      5.026409  
1 1 1 1   -5  6  o 152.352 1.9579 1145.75  29.442  1153.05  41.629  1138.45  41.646  152.820 2.7598 151.849 2.7786 0.9713135      3.916296  
1 1 1 1   -5  7  o 255.327 3.0821 3219.17  77.674  3283.17  109.854 3155.19  109.842 257.781 4.3175 252.702 4.4038 5.079666       6.167186  
1 1 1 1   -5  8  o 136.594 1.6959 920.980  22.865  928.362  32.345  913.605  32.327  137.127 2.3898 136.032 2.4077 1.094620       3.392309  
1 1 1 1   -5  9  o 305.619 3.6051 4614.88  108.749 4580.01  153.802 4649.74  153.788 304.286 5.1209 306.599 5.0818 -2.313110      7.214447  
1 1 1 1   -5  10 o 176.218 2.1671 1533.33  37.693  1607.01  53.324  1459.75  53.289  180.358 2.9954 171.887 3.1410 8.470932       4.340280  
1 1 1 1   -5  11 o 239.888 3.1499 2843.98  74.584  2883.83  105.527 2804.21  105.428 241.398 4.4289 238.033 4.4873 3.364487       6.304842  
1 1 1 1   -5  12 o 154.959 1.9317 1185.76  29.545  1178.06  41.804  1193.45  41.763  154.408 2.7429 155.415 2.7225 -1.007111      3.864663  
1 1 1 1   -5  13 o 178.119 2.9877 1568.12  52.527  1379.85  169.521 1588.12  55.246  165.380 10.439 179.238 3.1227 -13.85791      10.89563  
1 1 1 1   -5  14 o 36.748  0.6667 66.650   2.4182  59.597   3.3918  73.940   3.4486  34.747  0.9889 38.704  0.9027 -3.956638      1.338989  
1 1 1 1   -5  15 o 145.418 2.2214 1044.61  31.884  1037.25  38.964  1059.54  55.467  144.869 2.7249 146.313 3.8408 -1.444138      4.709239  
1 1 1 1   -5  16 o 155.684 6.6470 1208.04  102.141 1213.21  144.646 1202.90  144.252 154.951 9.5035 154.282 9.5192 0.6683197      13.45108  
1 1 1 1   -5  17 o 43.873  6.7858 98.405   28.437  103.376  40.466  93.555   39.970  44.392  9.5210 42.155  9.7931 2.236469       13.65851  
1 1 1 1   -5  18 o 123.434 6.4158 765.587  77.897  803.774  110.410 727.740  109.917 125.429 8.9775 119.113 9.4262 6.316536       13.01722  
1 1 1 1   -5  19 o 100.458 6.3996 509.696  63.126  517.190  89.554  502.295  88.995  100.014 9.1740 98.511  9.2615 1.503754       13.03597  
1 1 1 1   -5  20 o 64.629  6.6123 212.929  41.587  222.709  59.114  203.345  58.515  65.068  9.4832 61.954  9.9025 3.113628       13.71096  
1 1 1 1   -4  0  o 229.970 2.7620 2611.77  62.695  2575.84  88.655  2647.70  88.672  228.306 3.9342 231.472 3.8811 -3.166656      5.526369  
1 1 1 1   -4  1  o 304.052 4.2010 4570.54  126.077 4617.49  169.407 4512.27  188.757 305.396 5.6200 301.766 6.3372 3.629333       8.470226  
1 1 1 1   -4  2  o 60.632  0.6514 181.436  3.8982  188.499  5.5219  174.420  5.5040  61.799  0.9053 59.446  0.9380 2.352814       1.303606  
1 1 1 1   -4  3  o 124.198 2.1070 761.661  25.829  798.017  108.011 759.456  26.601  126.299 8.7177 124.016 2.1731 2.282600       8.984483  
1 1 1 1   -4  4  o 210.899 2.5618 2196.48  53.327  2110.26  75.391  2282.80  75.440  206.649 3.6962 214.941 3.5559 -8.292084      5.128951  
1 1 1 1   -4  5  o 247.966 2.9784 3036.30  72.898  2983.28  103.078 3089.36  103.108 245.715 4.2501 250.051 4.1777 -4.335587      5.959553  
1 1 1 1   -4  6  f 381.564 4.4722 7193.26  168.430 7137.12  238.193 7249.40  238.198 379.854 6.3530 382.838 6.3036 -2.983124      8.949641  
1 1 1 1   -4  7  o 62.426  0.7424 192.331  4.5746  178.873  6.3893  206.486  6.5528  60.201  1.0753 64.682  1.0264 -4.480068      1.486494  
1 1 1 1   -4  8  f 132.330 1.6423 864.368  21.451  879.655  30.348  849.103  30.326  133.483 2.3034 131.144 2.3428 2.339355       3.285445  
1 1 1 1   -4  9  o 115.302 1.4283 656.203  16.255  617.681  22.970  694.843  23.006  111.857 2.0805 118.640 1.9646 -6.783142      2.861490  
1 1 1 1   -4  10 o 239.082 2.8876 2823.16  68.142  2807.12  96.389  2839.18  96.346  238.308 4.0979 239.667 4.0728 -1.359268      5.777551  
1 1 1 1   -4  11 o 217.021 2.6481 2326.35  56.725  2377.09  80.274  2275.75  80.170  219.285 3.7088 214.552 3.7857 4.732559       5.299667  
1 1 1 1   -4  12 o 259.221 3.1395 3321.04  80.327  3247.46  113.606 3394.60  113.592 256.139 4.4936 261.895 4.3943 -5.755249      6.285047  
1 1 1 1   -4  13 o 113.299 1.9457 633.896  21.759  697.411  31.083  572.864  30.469  118.808 2.6506 107.668 2.8671 11.14040       3.904631  
1 1 1 1   -4  14 o 208.283 7.1574 2159.83  147.143 2173.08  208.131 2146.59  208.052 208.009 10.137 206.717 10.197 1.292938       14.37841  
1 1 1 1   -4  15 o 186.072 6.8922 1723.54  126.583 1772.66  179.139 1674.56  178.892 187.676 9.7036 182.294 9.9802 5.382339       13.91995  
1 1 1 1   -4  16 f 24.967  1.7512 30.934   4.2881  62.287   28.181  30.191   4.3387  34.601  8.3476 24.660  1.7948 9.940996       8.538328  
1 1 1 1   -4  17 o 80.303  1.1087 318.346  8.7879  323.205  12.820  314.039  12.070  80.900  1.6055 79.747  1.5334 1.153168       2.220100  
1 1 1 1   -4  18 o 129.973 1.6884 834.451  21.660  809.374  30.709  859.279  30.556  127.942 2.4317 131.836 2.3482 -3.893738      3.380419  
1 1 1 1   -4  19 o 114.847 1.5634 651.613  17.723  656.141  25.267  647.228  24.865  115.184 2.2224 114.402 2.2021 0.7828445      3.128622  
1 1 1 1   -4  20 o 74.003  1.1055 270.438  8.0748  280.157  11.538  261.108  11.305  75.298  1.5524 72.692  1.5756 2.606277       2.211882  
1 1 1 1   -4  21 o 44.233  1.2834 96.651   5.6033  98.789   6.6128  91.209   10.551  44.712  1.4984 42.842  2.5060 1.870785       2.919830  
1 1 1 1   -3  0  f 224.679 2.6926 2492.58  59.713  2536.26  84.500  2449.01  84.394  226.583 3.7783 222.648 3.8402 3.935272       5.387284  
1 1 1 1   -3  1  o 278.000 3.3868 3817.40  92.932  3954.69  125.951 3653.34  137.681 282.860 4.5113 271.808 5.1319 11.05206       6.832852  
1 1 1 1   -3  2  f 198.561 2.3976 1946.77  46.989  2044.24  66.475  1849.42  66.431  203.424 3.3107 193.479 3.4786 9.945450       4.802243  
1 1 1 1   -3  3  o 149.120 1.9086 1097.87  28.092  1069.66  39.712  1126.12  39.745  147.161 2.7340 150.998 2.6668 -3.836777      3.819171  
1 1 1 1   -3  4  o 153.415 6.4768 1167.30  98.075  1175.42  138.710 1159.18  138.688 153.294 9.2102 152.213 9.2754 1.081253       13.07135  
1 1 1 1   -3  5  o 158.538 1.9396 1240.85  30.352  1208.99  42.907  1272.77  42.941  156.460 2.7784 160.537 2.7100 -4.077087      3.881149  
1 1 1 1   -3  6  o 172.100 2.1123 1462.13  35.881  1482.93  50.757  1441.36  50.728  173.295 2.9674 170.848 3.0082 2.447388       4.225497  
1 1 1 1   -3  7  o 129.123 1.5931 822.943  20.304  829.743  28.721  816.151  28.706  129.646 2.2445 128.580 2.2619 1.066574       3.186503  
1 1 1 1   -3  8  o 112.195 1.4254 621.300  15.785  610.468  22.345  632.091  22.302  111.206 2.0357 113.159 1.9967 -1.952881      2.851491  
1 1 1 1   -3  9  o 126.601 1.5707 791.123  19.628  841.411  27.826  741.327  27.690  130.554 2.1594 122.541 2.2893 8.012520       3.147044  
1 1 1 1   -3  10 o 222.597 2.7024 2446.73  59.374  2367.13  83.979  2526.29  83.958  218.881 3.8871 226.128 3.7616 -7.247314      5.409184  
1 1 1 1   -3  11 o 73.124  0.9443 263.915  6.8156  238.225  9.6029  289.993  9.6750  69.470  1.4005 76.649  1.2788 -7.178612      1.896496  
1 1 1 1   -3  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   -3  13 o 102.149 6.1630 519.823  61.847  492.190  87.404  547.533  87.527  98.842  9.0597 104.401 8.5694 -5.558876      12.47046  
1 1 1 1   -3  14 o 373.062 7.0400 6925.03  259.232 6449.74  506.402 7093.81  301.770 355.418 14.435 377.079 8.1079 -21.66129      16.55639  
1 1 1 1   -3  15 o 115.779 2.0404 662.030  23.317  667.227  23.972  570.736  100.468 116.230 2.0895 106.249 9.6865 9.980728       9.909322  
1 1 1 1   -3  16 o 196.204 2.6062 1902.30  50.472  1970.74  71.521  1834.41  71.236  199.581 3.6306 192.538 3.7484 7.042770       5.218417  
1 1 1 1   -3  17 o 89.645  1.2144 396.734  10.745  388.318  15.635  404.265  14.791  88.673  1.7864 90.480  1.6562 -1.806801      2.436053  
1 1 1 1   -3  18 o 48.315  1.0248 115.235  4.8873  98.936   7.3489  128.161  6.5442  44.757  1.6635 50.948  1.3014 -6.190914      2.112071  
1 1 1 1   -3  19 o 67.026  1.0519 221.804  6.9592  235.022  10.293  210.672  9.4456  68.980  1.5117 65.310  1.4652 3.669449       2.105280  
1 1 1 1   -3  20 o 132.318 1.7622 865.305  23.015  859.269  32.531  871.354  32.564  131.758 2.5014 132.684 2.4865 -0.9255829     3.527003  
1 1 1 1   -3  21 o 53.948  1.0837 143.720  5.7707  125.924  7.9775  163.253  8.3578  50.479  1.6011 57.482  1.4731 -7.002918      2.175671  
1 1 1 1   -2  0  o 154.041 1.8903 1171.31  28.742  1118.45  40.632  1224.25  40.662  150.507 2.7351 157.468 2.6162 -6.961090      3.784858  
1 1 1 1   -2  1  o 265.759 3.3058 3488.12  86.715  3510.20  117.474 3461.67  128.538 266.521 4.4656 264.635 4.9210 1.885681       6.645092  
1 1 1 1   -2  2  o 289.397 3.3974 4136.63  97.045  4086.88  137.236 4186.39  137.249 287.531 4.8356 291.016 4.7781 -3.485046      6.798051  
1 1 1 1   -2  3  o 166.450 2.0397 1367.82  33.511  1427.32  47.409  1308.40  47.375  170.004 2.8253 162.763 2.9489 7.241074       4.083899  
1 1 1 1   -2  4  o 326.367 4.0462 5266.35  130.344 5339.42  184.343 5193.29  184.327 328.331 5.6883 323.791 5.7675 4.540375       8.100679  
1 1 1 1   -2  5  o 94.075  6.0479 440.383  55.860  419.516  78.975  461.275  79.022  91.370  8.8686 95.929  8.4314 -4.558220      12.23684  
1 1 1 1   -2  6  o 223.309 2.7035 2462.51  59.589  2474.34  84.329  2450.72  84.214  223.778 3.8179 222.706 3.8310 1.071457       5.408638  
1 1 1 1   -2  7  o 199.066 2.4277 1956.36  47.700  1927.84  67.462  1984.86  67.454  197.574 3.4594 200.477 3.4088 -2.902802      4.856690  
1 1 1 1   -2  8  o 121.016 1.5172 722.843  18.122  748.496  25.677  697.384  25.581  123.138 2.1127 118.858 2.1805 4.279617       3.036069  
1 1 1 1   -2  9  o 165.742 2.0439 1356.04  33.436  1363.86  47.327  1348.25  47.245  166.199 2.8850 165.245 2.8967 0.9545898      4.088246  
1 1 1 1   -2  10 o 303.145 3.6147 4539.18  108.157 4736.41  153.010 4342.24  152.903 309.538 5.0081 296.356 5.2272 13.18176       7.239111  
1 1 1 1   -2  11 o 225.036 7.3055 2510.71  162.268 2465.44  229.449 2556.01  229.515 222.467 10.449 226.554 10.264 -4.086853      14.64691  
1 1 1 1   -2  12 o 36.823  6.4439 69.181   22.568  75.281   32.354  63.402   31.494  38.138  8.7771 35.026  9.0463 3.111408       12.60450  
1 1 1 1   -2  13 o 173.036 2.2379 1478.71  38.222  1401.84  54.794  1551.57  53.344  168.408 3.2964 177.193 3.0501 -8.784988      4.490981  
1 1 1 1   -2  14 o 174.267 2.1787 1499.91  37.475  1521.71  53.083  1478.24  52.913  175.463 3.0651 172.936 3.0999 2.527008       4.359332  
1 1 1 1   -2  15 o 130.790 1.9315 844.750  24.935  825.327  30.734  882.153  42.649  129.255 2.4090 133.577 3.2348 -4.322449      4.033301  
1 1 1 1   -2  16 o 194.535 2.7478 1870.24  52.761  1891.72  65.802  1831.56  88.290  195.577 3.4087 192.267 4.6524 3.309967       5.767481  
1 1 1 1   -2  17 f 170.276 2.1638 1432.26  36.367  1476.21  51.602  1388.88  51.262  172.792 3.0256 167.595 3.0989 5.196701       4.330937  
1 1 1 1   -2  18 o 245.174 3.0107 2973.00  72.858  3083.02  103.261 2863.93  102.813 249.415 4.1945 240.356 4.3337 9.059479       6.031168  
1 1 1 1   -2  19 o 48.569  1.0250 116.459  4.9136  126.651  7.8205  109.811  6.3159  50.639  1.5646 47.157  1.3569 3.482128       2.071069  
1 1 1 1   -2  20 o 74.665  1.1955 275.295  8.8105  262.025  12.749  287.427  12.190  72.817  1.7738 76.273  1.6192 -3.456459      2.401679  
1 1 1 1   -2  21 o 10.028  3.3785 4.6519   3.9603  3.2338   5.2181  6.5785   6.0822  9.8937  3.8012 12.099  4.1843 -2.205574      5.653057  
1 1 1 1   -2  22 o 127.254 1.7558 800.579  22.053  785.370  31.020  816.123  31.360  125.927 2.4957 128.372 2.4750 -2.445595      3.514785  
1 1 1 1   -1  0  o 191.701 2.5850 1814.36  48.913  1859.04  69.181  1769.69  69.167  194.011 3.6126 189.287 3.7020 4.723511       5.172656  
1 1 1 1   -1  1  f 104.782 1.2677 541.903  13.111  511.723  18.523  572.208  18.561  101.817 1.8431 107.668 1.7465 -5.850456      2.539187  
1 1 1 1   -1  2  o 143.843 1.7420 1021.33  24.733  965.095  34.959  1077.69  34.996  139.812 2.5333 147.746 2.3998 -7.933762      3.489448  
1 1 1 1   -1  3  o 300.315 3.5473 4455.02  105.149 4554.73  148.713 4355.33  148.695 303.526 4.9639 296.796 5.0758 6.730469       7.099549  
1 1 1 1   -1  4  o 175.368 2.1942 1518.45  37.981  1566.51  53.731  1470.45  53.694  178.085 3.0568 172.534 3.1530 5.550980       4.391491  
1 1 1 1   -1  5  o 48.549  0.5010 116.325  2.4007  121.334  3.4001  111.345  3.3901  49.582  0.6948 47.498  0.7231 2.084965       1.002795  
1 1 1 1   -1  6  o 114.960 1.8783 652.458  21.312  658.516  21.839  531.394  97.631  115.491 1.9158 102.814 9.7367 12.67733       9.923341  
1 1 1 1   -1  7  o 161.925 1.9972 1294.34  31.920  1305.11  45.178  1283.61  45.105  162.575 2.8154 161.229 2.8343 1.345291       3.994993  
1 1 1 1   -1  8  o 194.715 2.3749 1871.71  45.644  1951.24  64.599  1792.41  64.501  198.780 3.2924 190.513 3.4301 8.266998       4.754572  
1 1 1 1   -1  9  o 290.668 3.8174 4172.98  109.521 4228.38  154.917 4117.62  154.854 292.476 5.3663 288.614 5.4359 3.862030       7.638484  
1 1 1 1   -1  10 o 340.079 8.9275 5738.99  299.671 5523.68  423.146 5955.63  424.455 332.659 12.887 345.553 12.445 -12.89380      17.91506  
1 1 1 1   -1  11 o 149.461 6.4898 1105.86  95.740  1078.22  135.347 1133.55  135.447 147.043 9.3743 150.820 9.1418 -3.777359      13.09394  
1 1 1 1   -1  12 o 121.693 1.5512 731.030  18.632  740.738  26.398  721.393  26.301  122.484 2.1835 120.873 2.2045 1.610527       3.102871  
1 1 1 1   -1  13 o 61.938  0.8951 189.349  5.4721  168.212  7.9321  208.543  7.5588  58.375  1.3767 64.999  1.1782 -6.624603      1.811999  
1 1 1 1   -1  14 o 181.760 2.2599 1631.71  40.543  1701.30  57.483  1562.84  57.192  185.528 3.1391 177.807 3.2587 7.720245       4.524710  
1 1 1 1   -1  15 o 193.124 2.4058 1842.46  45.859  1827.01  64.909  1857.86  64.800  192.218 3.4212 193.838 3.3869 -1.619888      4.814104  
1 1 1 1   -1  16 o 118.631 1.5515 694.839  18.167  714.457  25.889  675.809  25.498  120.269 2.1809 116.969 2.2086 3.299446       3.103857  
1 1 1 1   -1  17 o 205.364 2.7274 2084.35  55.285  2192.96  78.478  1977.36  77.893  210.508 3.7770 199.867 3.9484 10.64075       5.464059  
1 1 1 1   -1  18 o 69.855  1.0841 240.888  7.4746  266.276  11.101  219.830  10.110  73.435  1.5315 66.724  1.5351 6.711334       2.168404  
1 1 1 1   -1  19 o 181.544 2.2901 1628.90  41.036  1689.53  58.268  1569.24  57.801  184.766 3.1951 178.052 3.2889 6.713257       4.585337  
1 1 1 1   -1  20 o 113.184 1.5816 632.815  17.669  606.664  25.395  657.349  24.598  110.762 2.3229 115.312 2.1612 -4.549461      3.172806  
1 1 1 1   -1  21 o 89.673  1.6266 397.354  14.398  414.182  17.941  366.910  24.131  91.524  1.9859 86.058  2.8409 5.466042       3.466227  
1 1 1 1   -1  22 o 98.690  7.3957 497.350  71.519  469.891  123.623 511.163  87.681  92.089  14.045 99.248  9.0501 -7.159180      16.70850  
1 1 1 1   0   0  o 196.459 5.9918 1908.77  116.189 0.0000   0.0000  1908.77  116.189 ?       ?      196.459 5.9918 0.000000       5.991833  
1 1 1 1   0   1  o 158.229 1.9825 1235.88  30.962  1230.89  43.786  1240.87  43.788  157.891 2.8096 158.530 2.7984 -0.6390991     3.965483  
1 1 1 1   0   2  o 162.346 2.2075 1301.10  35.374  1294.46  50.059  1307.73  49.993  161.906 3.1325 162.735 3.1124 -0.8288574     4.415836  
1 1 1 1   0   3  o 317.114 3.6857 4967.33  115.363 4396.47  163.110 5538.75  163.188 298.167 5.5422 334.738 4.9391 -36.57028      7.423703  
1 1 1 1   0   4  o 251.314 3.0123 3119.25  74.722  3117.37  105.669 3121.13  105.676 251.147 4.2627 251.299 4.2604 -0.1516113     6.026751  
1 1 1 1   0   5  f 196.056 2.5459 1898.28  49.266  1849.64  69.656  1946.96  69.691  193.458 3.6478 198.489 3.5572 -5.030914      5.095134  
1 1 1 1   0   6  o 205.812 2.4925 2092.01  50.634  2015.21  71.590  2168.89  71.625  201.920 3.5920 209.488 3.4640 -7.568665      4.990170  
1 1 1 1   0   7  o 413.301 6.1352 8458.55  250.283 8419.19  277.253 8631.85  581.752 412.176 6.8149 414.482 14.220 -2.305725      15.76866  
1 1 1 1   0   8  f 97.521  1.2239 469.395  11.781  506.798  16.727  432.583  16.594  101.328 1.6725 93.614  1.7959 7.713860       2.454082  
1 1 1 1   0   9  o 396.249 9.8078 7789.65  383.595 7689.74  542.446 7889.58  542.523 392.637 13.997 397.759 13.819 -5.122681      19.66895  
1 1 1 1   0   10 o 210.774 7.1167 2198.94  148.056 2149.30  209.358 2248.60  209.408 208.061 10.194 212.841 9.9679 -4.780212      14.25789  
1 1 1 1   0   11 o 303.967 3.6315 4563.91  108.953 4646.46  154.116 4481.42  154.051 306.575 5.0930 301.072 5.1840 5.503235       7.267231  
1 1 1 1   0   12 o 84.273  1.1166 350.535  9.2880  333.103  13.177  367.748  13.094  82.146  1.6252 86.314  1.5369 -4.167183      2.236803  
1 1 1 1   0   13 o 63.974  0.8828 201.998  5.5745  195.792  7.9450  208.016  7.8235  62.980  1.2781 64.917  1.2210 -1.936909      1.767562  
1 1 1 1   0   14 o 132.974 1.7284 873.018  22.685  866.011  32.098  880.011  32.065  132.410 2.4559 133.477 2.4338 -1.067062      3.457638  
1 1 1 1   0   15 o 162.853 2.0548 1309.77  33.029  1372.44  46.866  1247.94  46.556  166.650 2.8492 158.902 2.9683 7.747513       4.114476  
1 1 1 1   0   16 o 170.478 2.1567 1435.47  36.291  1421.31  51.380  1449.56  51.266  169.564 3.0699 171.244 3.0330 -1.679855      4.315515  
1 1 1 1   0   17 o 90.515  2.3625 404.761  21.107  339.510  75.997  410.215  21.971  81.708  9.6066 91.120  2.4429 -9.411591      9.912370  
1 1 1 1   0   18 o 130.684 1.7476 843.380  22.543  857.911  32.313  829.602  31.465  131.762 2.4845 129.572 2.4603 2.190506       3.496572  
1 1 1 1   0   19 o 63.189  1.4487 197.156  9.0356  219.372  11.643  163.519  14.327  66.645  1.7700 57.516  2.5236 9.129391       3.082462  
1 1 1 1   0   20 o 53.663  6.4053 145.985  33.256  155.306  47.425  136.967  46.648  54.685  9.1064 51.148  9.5923 3.536995       13.22646  
1 1 1 1   0   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   0   22 o 77.169  1.3707 294.187  10.441  310.146  16.082  282.558  13.727  79.186  2.0575 75.599  1.8397 3.586952       2.760036  
1 1 1 1   0   23 o 133.619 1.8801 882.981  24.796  941.252  35.834  829.447  34.347  137.818 2.6343 129.363 2.6900 8.455292       3.765018  
1 1 1 1   1   0  o 131.768 1.3967 856.977  18.165  874.589  25.890  839.900  25.494  133.107 1.9706 130.440 1.9801 2.666565       2.793608  
1 1 1 1   1   1  o 137.010 1.9621 926.634  26.534  917.598  33.318  942.303  43.875  136.332 2.4760 138.138 3.2179 -1.806030      4.060230  
1 1 1 1   1   2  o 56.130  0.6026 155.489  3.3384  164.248  4.2764  141.820  5.3418  57.689  0.7510 53.605  1.0096 4.083908       1.258310  
1 1 1 1   1   3  f 73.076  0.9871 263.561  7.1200  313.747  12.387  238.799  8.7009  79.727  1.5741 69.557  1.2673 10.16949       2.020859  
1 1 1 1   1   4  o 308.040 3.6272 4687.38  110.284 4756.21  155.973 4618.57  155.958 310.149 5.0950 305.620 5.1700 4.529053       7.258666  
1 1 1 1   1   5  o 158.098 1.9679 1234.00  30.709  1220.99  43.424  1247.01  43.435  157.233 2.7980 158.901 2.7694 -1.667740      3.936799  
1 1 1 1   1   6  o 175.177 2.1226 1515.26  36.701  1595.97  51.940  1434.78  51.868  179.738 2.9277 170.411 3.0837 9.327972       4.252097  
1 1 1 1   1   7  o 250.992 3.9667 3114.02  98.270  3176.07  266.004 3104.22  105.751 252.215 10.685 250.564 4.2759 1.651062       11.50905  
1 1 1 1   1   8  o 69.464  6.1667 240.622  41.841  215.469  59.081  265.932  59.264  65.212  9.4545 72.753  8.4078 -7.541389      12.65227  
1 1 1 1   1   9  o 274.820 7.9849 3740.74  216.595 3736.30  306.301 3745.18  306.323 274.161 11.319 274.489 11.306 -0.3276672     15.99852  
1 1 1 1   1   10 o 485.792 6.3954 11673.64 306.658 12029.43 433.703 11317.93 433.655 492.602 8.9200 477.745 9.1963 14.85709       12.81166  
1 1 1 1   1   11 o 265.368 3.1854 3477.81  83.434  3472.66  117.920 3482.98  118.068 265.078 4.5069 265.471 4.5059 -0.3934021     6.373043  
1 1 1 1   1   12 o 260.482 3.1438 3351.14  80.828  3308.97  114.278 3393.35  114.338 258.737 4.4748 262.020 4.4210 -3.283081      6.290405  
1 1 1 1   1   13 o 159.948 2.0238 1263.12  31.951  1235.73  45.100  1290.73  45.271  158.169 2.8888 161.653 2.8373 -3.484238      4.049140  
1 1 1 1   1   14 o 168.182 2.2334 1396.88  37.075  1378.74  52.346  1415.12  52.519  167.030 3.1751 169.221 3.1444 -2.191467      4.468567  
1 1 1 1   1   15 o 163.732 2.0799 1323.94  33.613  1310.99  47.505  1336.94  47.568  162.871 2.9550 164.477 2.9300 -1.605865      4.161407  
1 1 1 1   1   16 f 200.687 2.8118 1990.39  55.698  2012.35  69.802  1951.90  92.410  201.715 3.5059 198.491 4.7168 3.223907       5.877004  
1 1 1 1   1   17 o 136.042 1.7715 913.912  23.787  934.207  33.961  894.365  33.329  137.505 2.5022 134.541 2.5098 2.964600       3.544038  
1 1 1 1   1   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   1   19 o 96.848  6.3776 469.243  60.624  485.320  85.989  453.354  85.484  97.856  9.0037 94.473  9.2873 3.383110       12.93526  
1 1 1 1   1   20 f 85.120  1.3225 357.757  11.112  368.287  16.032  348.021  15.415  86.340  1.8812 83.932  1.8607 2.408302       2.645938  
1 1 1 1   1   21 o 59.934  1.2787 177.390  7.5642  171.634  11.716  181.505  9.9053  58.925  2.0144 60.612  1.6557 -1.686558      2.607493  
1 1 1 1   1   22 o 66.058  1.3768 215.560  8.9769  221.219  13.377  210.924  12.108  66.881  2.0264 65.316  1.8781 1.565163       2.762894  
1 1 1 1   1   23 o 68.386  1.4944 231.095  10.087  266.052  15.569  205.802  13.243  73.326  2.1511 64.496  2.0802 8.829384       2.992437  
1 1 1 1   2   0  o 239.016 2.8342 2820.80  66.864  3104.59  94.580  2537.25  94.539  250.701 3.8222 226.616 4.2266 24.08435       5.698481  
1 1 1 1   2   1  o 227.178 2.7230 2548.17  61.058  2606.34  86.356  2490.02  86.343  229.707 3.8088 224.518 3.8962 5.188889       5.448585  
1 1 1 1   2   2  o 288.470 3.4458 4109.80  98.114  4164.49  138.759 4055.12  138.748 290.281 4.8429 286.438 4.9075 3.842529       6.894776  
1 1 1 1   2   3  o 135.929 2.2236 912.153  29.834  932.666  41.576  890.378  42.836  137.430 3.0650 134.273 3.2321 3.156311       4.454268  
1 1 1 1   2   4  o 305.837 3.6099 4620.47  108.974 4636.91  154.109 4604.03  154.115 306.239 5.0984 305.150 5.1168 1.089874       7.223252  
1 1 1 1   2   5  o 176.649 2.1475 1540.66  37.443  1551.86  52.921  1529.43  52.984  177.254 3.0248 175.968 3.0505 1.286652       4.295969  
1 1 1 1   2   6  o 382.017 4.7157 7220.74  177.814 7339.45  251.473 7102.04  251.461 384.665 6.6233 378.361 6.7333 6.304413       9.444914  
1 1 1 1   2   7  o 141.642 6.3676 994.626  89.023  986.608  125.907 1002.64  125.888 140.446 9.1321 141.604 9.0543 -1.157639      12.85989  
1 1 1 1   2   8  o 260.722 7.7417 3370.10  199.226 3424.38  281.779 3315.84  281.718 262.230 10.887 258.003 11.063 4.227051       15.52088  
1 1 1 1   2   9  o 307.433 3.6380 4668.14  110.394 4572.35  156.098 4763.98  156.142 304.138 5.1999 310.455 5.0955 -6.317535      7.280322  
1 1 1 1   2   10 o 446.069 5.9035 9839.18  259.923 9743.05  367.571 9935.33  367.603 443.441 8.3979 447.813 8.3167 -4.371368      11.81914  
1 1 1 1   2   11 o 72.823  0.9695 261.735  6.9687  254.794  9.9487  268.420  9.7645  71.848  1.4029 73.745  1.3415 -1.896523      1.941026  
1 1 1 1   2   12 o 477.072 5.4945 11256.75 258.728 11504.75 365.927 11008.84 365.866 481.797 7.6948 471.254 7.8656 10.54318       11.00353  
1 1 1 1   2   13 o 143.567 1.8314 1017.54  25.952  1048.74  36.784  986.610  36.621  145.729 2.5573 141.344 2.6249 4.385193       3.664684  
1 1 1 1   2   14 o 46.430  0.9196 106.402  4.2144  103.230  5.8238  109.889  6.1062  45.730  1.2902 47.182  1.3112 -1.451748      1.839530  
1 1 1 1   2   15 o 217.228 2.6851 2331.43  57.572  2407.17  81.481  2255.91  81.357  220.612 3.7419 213.553 3.8597 7.058624       5.375834  
1 1 1 1   2   16 f 162.768 2.4231 1308.82  38.929  1329.51  48.187  1269.95  66.053  164.007 2.9767 160.172 4.1781 3.834778       5.129996  
1 1 1 1   2   17 o 119.811 6.3430 715.647  74.744  727.612  105.775 703.714  105.634 120.210 8.9796 118.170 9.1273 2.040604       12.80396  
1 1 1 1   2   18 o 114.519 6.3120 654.273  71.072  664.618  100.623 643.973  100.399 114.807 8.9503 112.964 9.0812 1.843468       12.75050  
1 1 1 1   2   19 o 88.080  1.9774 383.210  17.191  385.789  17.668  337.326  74.522  88.374  2.0255 81.351  9.4573 7.023026       9.671794  
1 1 1 1   2   20 o 93.266  1.4048 429.519  12.932  419.486  18.757  438.611  17.855  92.141  2.0624 94.226  1.9198 -2.084366      2.817662  
1 1 1 1   2   21 o 175.301 2.2681 1519.45  39.244  1560.59  56.142  1480.14  54.878  177.493 3.2046 172.855 3.2165 4.637878       4.540406  
1 1 1 1   2   22 o 65.627  1.4684 212.775  9.5120  222.790  15.680  206.944  11.965  67.097  2.3676 64.700  1.8736 2.397415       3.019240  
1 1 1 1   2   23 o 85.014  1.4502 357.108  12.169  383.045  18.236  336.285  16.339  87.990  2.0997 82.453  2.0077 5.536583       2.905077  
1 1 1 1   2   24 f 136.850 1.9419 926.523  26.230  938.715  37.529  914.880  36.676  137.574 2.7637 135.823 2.7358 1.751053       3.888763  
1 1 1 1   3   0  o 241.977 2.8854 2891.33  68.916  3102.95  97.478  2679.86  97.445  250.613 3.9407 232.883 4.2393 17.73088       5.787946  
1 1 1 1   3   1  o 187.486 2.2710 1735.36  42.027  1740.07  59.436  1730.64  59.433  187.709 3.2080 187.199 3.2165 0.5097656      4.542844  
1 1 1 1   3   2  o 245.654 2.9328 2979.84  71.112  3032.45  100.575 2927.25  100.561 247.746 4.1129 243.406 4.1857 4.339966       5.868209  
1 1 1 1   3   3  o 263.757 3.1051 3435.55  80.838  3466.90  114.327 3404.20  114.317 264.873 4.3730 262.464 4.4127 2.409393       6.212493  
1 1 1 1   3   4  o 124.023 1.6973 759.278  20.778  751.864  29.376  766.700  29.391  123.402 2.4118 124.615 2.3896 -1.212059      3.395105  
1 1 1 1   3   5  o 191.155 2.3257 1804.23  43.880  1784.72  62.014  1823.78  62.098  190.071 3.3055 192.142 3.2743 -2.070465      4.652700  
1 1 1 1   3   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   3   7  o 239.163 7.4589 2841.34  176.075 2868.56  249.018 2814.12  248.999 239.533 10.533 237.219 10.634 2.313766       14.96745  
1 1 1 1   3   8  o 90.606  1.1565 405.198  10.343  392.683  14.603  417.796  14.652  89.190  1.6588 91.999  1.6135 -2.808365      2.314067  
1 1 1 1   3   9  o 227.359 7.3572 2559.67  165.104 2542.32  233.483 2577.01  233.502 226.202 10.457 227.751 10.387 -1.548248      14.73947  
1 1 1 1   3   10 o 304.301 3.6063 4573.30  108.316 4467.93  153.157 4678.74  153.207 300.658 5.1610 307.680 5.0448 -7.021484      7.217056  
1 1 1 1   3   11 o 86.233  1.1839 367.015  10.077  363.297  14.271  370.712  14.231  85.791  1.6853 86.662  1.6637 -0.8712387     2.368177  
1 1 1 1   3   12 o 262.290 3.1493 3397.55  81.531  3381.14  115.309 3413.97  115.296 261.565 4.4663 262.834 4.4442 -1.268463      6.300745  
1 1 1 1   3   13 o 476.716 5.4652 11245.80 257.156 11464.93 363.701 11026.73 363.646 480.716 7.6652 471.390 7.8157 9.325317       10.94713  
1 1 1 1   3   14 o 178.152 2.2364 1567.27  39.325  1644.38  55.723  1490.77  55.506  182.431 3.0946 173.692 3.2377 8.739243       4.478733  
1 1 1 1   3   15 o 41.819  1.3999 86.332   5.7784  83.080   8.2205  89.508   8.1240  41.017  2.0305 42.575  1.9332 -1.558613      2.803624  
1 1 1 1   3   16 o 184.475 6.9449 1693.52  126.455 1704.41  178.839 1682.64  178.830 184.036 9.8814 182.830 9.9471 1.206085       14.02098  
1 1 1 1   3   17 o 193.567 4.1369 1854.99  79.038  1804.80  187.798 1865.80  87.131  189.201 10.093 194.066 4.5487 -4.865250      11.07039  
1 1 1 1   3   18 o 130.189 1.7517 836.984  22.510  834.819  31.917  839.128  31.751  129.981 2.4877 130.317 2.4685 -0.3362427     3.504591  
1 1 1 1   3   19 o 71.720  1.3991 253.960  9.9039  245.170  13.503  264.194  14.570  70.453  1.9418 73.133  2.0184 -2.679993      2.800800  
1 1 1 1   3   20 o 175.320 2.2813 1518.98  39.478  1504.44  55.556  1533.82  56.107  174.361 3.2281 176.055 3.2288 -1.693954      4.565715  
1 1 1 1   3   21 o 92.537  1.5364 422.947  14.034  426.698  20.015  419.319  19.682  92.909  2.1825 92.103  2.1651 0.8057556      3.074215  
1 1 1 1   3   22 o 70.530  1.4918 245.750  10.385  280.902  15.786  218.928  13.789  75.367  2.1221 66.537  2.0997 8.829948       2.985267  
1 1 1 1   3   23 o 30.245  2.4266 45.584   7.1832  40.508   11.928  48.473   8.9978  28.163  4.4377 31.124  2.9648 -2.960417      5.336991  
1 1 1 1   3   24 o 118.287 1.9903 692.254  23.238  747.707  39.744  663.450  28.644  122.671 3.2825 115.716 2.5079 6.955475       4.130884  
1 1 1 1   4   0  o 145.124 1.7561 1039.66  25.154  1011.42  35.566  1067.92  35.580  143.119 2.5177 147.065 2.4511 -3.945435      3.513826  
1 1 1 1   4   1  o 240.508 2.8752 2856.49  68.253  2842.41  96.525  2870.57  96.524  239.838 4.0775 241.025 4.0573 -1.186844      5.752182  
1 1 1 1   4   2  o 358.234 4.1815 6341.48  147.855 6458.36  209.107 6224.61  209.090 361.297 5.8637 354.682 5.9726 6.615326       8.369846  
1 1 1 1   4   3  o 250.195 3.2586 3091.78  80.471  3139.45  113.811 3044.14  113.796 252.018 4.5753 248.158 4.6458 3.860992       6.520519  
1 1 1 1   4   4  o 308.682 4.3972 4710.11  133.973 4626.48  189.464 4793.75  189.468 305.671 6.2797 311.166 6.1689 -5.494446      8.802862  
1 1 1 1   4   5  o 155.603 6.5336 1200.08  100.347 1268.16  141.949 1132.08  141.876 159.389 9.0602 150.458 9.6035 8.930634       13.20288  
1 1 1 1   4   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   4   7  o 187.285 2.3796 1732.21  43.989  1674.79  65.574  1779.19  59.315  184.074 3.6092 189.758 3.1669 -5.683762      4.801591  
1 1 1 1   4   8  o 212.023 2.5903 2219.87  54.208  2222.29  76.666  2217.44  76.657  212.075 3.6625 211.843 3.6661 0.2319794      5.182096  
1 1 1 1   4   9  f 207.737 2.5257 2130.64  51.788  2128.00  73.248  2133.28  73.231  207.566 3.5752 207.823 3.5700 -0.2576447     5.052438  
1 1 1 1   4   10 o 258.781 7.7139 3316.42  197.035 3401.51  278.712 3231.40  278.586 261.649 10.792 254.978 11.069 6.671097       15.45961  
1 1 1 1   4   11 o 155.902 2.0079 1199.82  30.898  1220.25  43.725  1179.45  43.666  157.205 2.8179 154.554 2.8624 2.651505       4.016739  
1 1 1 1   4   12 o 144.329 1.8575 1028.28  26.461  1011.91  37.414  1044.67  37.430  143.158 2.6478 145.458 2.6071 -2.300461      3.715864  
1 1 1 1   4   13 o 259.262 3.1402 3320.10  80.358  3336.85  113.663 3303.37  113.624 259.806 4.4324 258.497 4.4533 1.308472       6.283157  
1 1 1 1   4   14 o 230.826 2.8127 2631.91  64.084  2563.54  90.566  2700.47  90.691  227.699 4.0297 233.712 3.9314 -6.012207      5.629776  
1 1 1 1   4   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   4   16 o 53.232  1.6265 139.912  8.5458  134.070  12.373  145.241  11.818  52.095  2.4062 54.226  2.2079 -2.131115      3.265711  
1 1 1 1   4   17 o 83.233  1.5220 342.044  12.504  356.962  15.974  318.439  20.094  85.018  1.9036 80.279  2.5359 4.739471       3.170838  
1 1 1 1   4   18 o 78.335  1.4162 302.961  10.950  315.332  15.273  289.875  15.707  79.904  1.9365 76.607  2.0773 3.297562       2.839930  
1 1 1 1   4   19 o 60.306  1.5837 179.584  9.4267  178.215  13.031  181.087  13.654  60.061  2.1981 60.540  2.2850 -0.4793625     3.170591  
1 1 1 1   4   20 o 79.831  2.0239 314.841  15.947  301.337  70.746  315.564  16.369  76.713  9.5500 79.920  2.0750 -3.206978      9.772807  
1 1 1 1   4   21 o 154.418 2.3876 1178.95  36.391  1144.92  61.218  1197.55  45.254  151.906 4.0829 155.557 2.9474 -3.650604      5.035571  
1 1 1 1   4   22 o 27.872  2.4705 38.739   6.7262  33.340   9.4519  44.279   9.5738  25.630  3.8557 29.700  3.3227 -4.070345      5.089856  
1 1 1 1   4   23 o 86.503  1.5935 369.811  13.606  373.004  19.843  366.978  18.692  86.808  2.3159 86.116  2.1990 0.6914978      3.193556  
1 1 1 1   4   24 o 37.729  6.7271 74.220   24.133  85.653   35.162  64.038   33.182  39.902  9.1259 34.496  9.4613 5.406246       13.14529  
1 1 1 1   5   0  o 202.417 2.5353 2023.53  50.653  2010.66  71.636  2036.40  71.634  201.699 3.5983 202.987 3.5753 -1.288895      5.072525  
1 1 1 1   5   1  o 91.030  1.0817 409.003  9.7191  414.136  13.750  403.877  13.740  91.595  1.5208 90.453  1.5390 1.141876       2.163683  
1 1 1 1   5   2  o 439.872 5.0861 9571.92  220.822 9610.49  312.293 9533.34  312.287 440.232 7.1870 438.453 7.2160 1.778992       10.18450  
1 1 1 1   5   3  o 301.147 3.5518 4480.97  105.575 4522.50  149.266 4439.39  149.346 302.365 5.0014 299.566 5.0509 2.798157       7.108159  
1 1 1 1   5   4  o 324.909 8.6682 5249.72  277.987 5355.84  393.153 5143.63  393.114 326.969 12.182 320.326 12.433 6.642426       17.40673  
1 1 1 1   5   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   5   6  o 125.979 1.6218 783.502  20.166  775.931  30.389  789.459  26.957  125.342 2.4563 126.440 2.1600 -1.098778      3.270959  
1 1 1 1   5   7  f 136.878 2.0526 925.089  27.732  941.174  42.358  913.023  36.688  138.020 3.1093 135.957 2.7339 2.062668       4.140313  
1 1 1 1   5   8  o 215.231 2.5769 2287.49  54.743  2319.39  77.439  2255.63  77.398  216.667 3.6210 213.664 3.6700 3.002380       5.155658  
1 1 1 1   5   9  o 140.542 1.7762 975.008  24.639  912.561  36.909  1025.21  33.093  135.948 2.7506 144.105 2.3266 -8.156937      3.602613  
1 1 1 1   5   10 o 402.079 4.8204 7989.64  191.305 7959.14  281.953 8015.66  260.421 400.983 7.1239 402.497 6.5551 -1.514099      9.680880  
1 1 1 1   5   11 o 265.500 4.9549 3484.13  129.846 3484.13  129.846 0.0000   0.0000  265.500 4.9549 ?       ?      0.000000       4.954854  
1 1 1 1   5   12 o 223.329 2.7406 2462.73  60.413  2398.10  85.389  2527.51  85.483  220.318 3.9266 226.191 3.8289 -5.872406      5.484424  
1 1 1 1   5   13 o 132.336 1.7409 864.511  22.740  853.190  32.040  876.003  32.280  131.449 2.4694 133.195 2.4553 -1.746170      3.482353  
1 1 1 1   5   14 o 95.674  6.2773 455.690  58.950  448.692  83.360  462.691  83.375  94.491  9.0485 95.995  8.9007 -1.503914      12.69243  
1 1 1 1   5   15 o 229.434 4.3021 2604.93  97.424  2644.81  137.929 2565.22  137.629 230.878 6.0526 227.361 6.1328 3.516876       8.616543  
1 1 1 1   5   16 o 91.892  1.3951 416.879  12.654  436.272  18.142  398.506  17.658  93.990  1.9556 89.829  1.9916 4.161377       2.791188  
1 1 1 1   5   17 o 28.462  2.2397 40.264   6.2411  37.147   8.9680  43.192   8.6910  27.193  3.4167 29.401  3.0386 -2.208885      4.572436  
1 1 1 1   5   18 o 53.991  1.4958 143.929  7.9715  137.278  11.402  150.289  11.149  52.715  2.1913 55.160  2.0478 -2.444897      2.999209  
1 1 1 1   5   19 o 109.745 1.6761 594.758  18.156  591.489  25.717  598.007  25.636  109.409 2.3814 110.011 2.3609 -0.6023254     3.353315  
1 1 1 1   5   20 o 81.506  1.5146 328.047  12.185  317.250  16.787  340.072  17.715  80.132  2.1225 82.962  2.1634 -2.830429      3.030707  
1 1 1 1   5   21 o 56.106  6.5671 159.479  35.680  140.354  50.731  178.198  50.191  51.643  10.314 58.752  8.9367 -7.109337      13.64673  
1 1 1 1   5   22 o 39.546  2.3658 77.636   9.1922  83.055   10.490  59.711   19.078  40.883  2.6133 34.076  5.8851 6.807384       6.439209  
1 1 1 1   5   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   5   24 o 26.535  3.0661 35.412   7.8826  41.440   12.662  31.598   10.073  28.425  4.6755 24.823  4.2648 3.602049       6.328470  
1 1 1 1   5   25 o 79.914  1.7186 315.853  13.556  332.671  20.111  301.849  18.351  81.917  2.4873 78.045  2.3822 3.872482       3.444038  
1 1 1 1   6   0  o 281.605 3.3597 3919.06  93.384  3763.38  132.052 4074.80  132.077 275.750 4.8517 286.963 4.6630 -11.21350      6.729283  
1 1 1 1   6   1  o 272.791 3.5687 3678.32  96.090  3752.11  135.905 3604.56  135.879 275.304 5.0014 269.820 5.1020 5.484100       7.144543  
1 1 1 1   6   2  o 227.178 3.0772 2549.95  69.002  2623.11  92.553  2458.40  103.535 230.316 4.0713 222.893 4.7061 7.422989       6.222746  
1 1 1 1   6   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   6   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   6   5  o 159.125 1.9902 1250.26  31.259  1230.76  44.195  1269.79  44.219  157.838 2.8368 160.324 2.7943 -2.485535      3.981912  
1 1 1 1   6   6  o 230.460 3.4341 2625.02  78.116  2660.87  110.474 2589.18  110.472 231.861 4.8272 228.708 4.8937 3.153824       6.873898  
1 1 1 1   6   7  o 258.870 3.0421 3310.51  77.729  3342.62  109.935 3278.41  109.916 259.996 4.2838 257.482 4.3250 2.514221       6.087413  
1 1 1 1   6   8  o 30.904  0.9432 47.138   2.8770  49.428   4.0619  44.834   4.0755  31.645  1.3004 30.138  1.3700 1.506716       1.888942  
1 1 1 1   6   9  o 179.160 2.6068 1584.82  46.098  1589.48  69.619  1581.18  61.517  179.373 3.9322 178.923 3.4833 0.4497681      5.253154  
1 1 1 1   6   10 o 275.341 3.3033 3743.97  89.775  3758.69  126.968 3729.25  126.954 275.790 4.6643 274.707 4.6821 1.083679       6.608905  
1 1 1 1   6   11 o 214.125 3.1792 2264.23  67.192  2317.54  95.090  2211.06  94.958  216.565 4.4485 211.525 4.5482 5.039749       6.361995  
1 1 1 1   6   12 o 181.501 3.3114 1627.04  59.323  1533.40  77.117  1762.79  92.849  176.146 4.4355 188.828 4.9817 -12.68190      6.670139  
1 1 1 1   6   13 o 292.125 8.2735 4236.46  238.556 4146.43  338.057 4325.76  336.684 288.104 11.888 294.357 11.588 -6.252777      16.60147  
1 1 1 1   6   14 o 126.260 1.7526 787.030  21.842  793.612  29.665  779.237  32.278  126.769 2.3708 125.607 2.6035 1.161606       3.521227  
1 1 1 1   6   15 f 149.792 1.9534 1107.96  28.882  1106.96  40.815  1108.98  40.875  149.682 2.7626 149.818 2.7642 -0.1364288     3.908000  
1 1 1 1   6   16 o 250.249 3.0514 3095.74  75.372  3072.38  106.547 3119.14  106.638 249.095 4.3335 250.988 4.3045 -1.893967      6.108059  
1 1 1 1   6   17 o 201.614 2.5546 2008.62  50.836  2019.52  71.864  1997.71  71.922  202.033 3.6038 200.936 3.6263 1.097382       5.112478  
1 1 1 1   6   18 o 221.475 2.7401 2424.55  59.899  2427.33  84.699  2421.76  84.722  221.429 3.8753 221.174 3.8809 0.2552643      5.484462  
1 1 1 1   6   19 o 42.344  1.8314 88.555   7.6545  87.318   10.929  89.746   10.724  41.946  2.6534 42.535  2.5663 -0.5890083     3.691395  
1 1 1 1   6   20 o 114.312 1.7936 645.419  20.237  647.168  29.916  643.945  27.478  114.412 2.6491 114.143 2.4390 0.2699280      3.600896  
1 1 1 1   6   21 o 40.053  4.4513 80.612   17.300  105.726  39.590  74.685   19.234  44.930  9.2358 38.401  5.2088 6.528473       10.60336  
1 1 1 1   6   22 o 95.215  6.4134 456.756  59.922  474.216  85.506  439.905  84.000  96.041  9.1298 92.386  9.3399 3.654449       13.06092  
1 1 1 1   6   23 o 40.536  2.1967 81.540   8.7561  91.405   12.385  71.682   12.381  42.836  2.9472 37.852  3.3483 4.984261       4.460618  
1 1 1 1   6   24 o 88.951  1.6962 391.206  14.893  397.489  21.633  385.546  20.533  89.573  2.4468 88.229  2.3578 1.343849       3.397974  
1 1 1 1   6   25 o 10.128  4.2649 0.6352   7.2642  0.0205   11.141  1.0898   9.5806  12.236  5.2222 11.683  4.9076 0.5525064      7.166286  
1 1 1 1   7   0  o 311.773 4.8228 4807.55  148.413 4408.93  370.639 4883.67  161.965 296.678 12.657 314.173 5.2230 -17.49432      13.69234  
1 1 1 1   7   1  o 87.744  1.0594 380.009  9.1754  396.516  13.009  363.672  12.943  89.625  1.4706 85.832  1.5277 3.792885       2.120520  
1 1 1 1   7   2  o 220.588 7.2180 2416.54  157.157 2349.60  222.227 2483.50  222.281 216.788 10.386 222.957 10.101 -6.169189      14.48729  
1 1 1 1   7   3  o 196.177 3.1668 1901.71  61.321  1967.91  86.866  1835.95  86.576  199.444 4.4126 192.626 4.5535 6.817734       6.340814  
1 1 1 1   7   4  o 169.026 2.1302 1410.77  35.539  1386.22  47.795  1441.14  53.149  167.508 2.8908 170.777 3.1530 -3.269287      4.277658  
1 1 1 1   7   5  o 206.405 2.7307 2104.42  55.633  2120.95  78.690  2087.91  78.663  207.122 3.8491 205.499 3.8782 1.622238       5.464056  
1 1 1 1   7   6  o 283.745 3.6314 3979.12  101.704 3894.14  143.747 4064.29  143.916 280.488 5.1922 286.567 5.0880 -6.079010      7.269581  
1 1 1 1   7   7  o 76.280  0.9811 287.183  7.3871  263.820  10.337  311.564  10.560  73.108  1.4325 79.449  1.3466 -6.341110      1.966114  
1 1 1 1   7   8  o 219.248 2.9278 2373.82  63.359  2348.50  89.581  2399.17  89.627  218.006 4.1631 220.348 4.1209 -2.341949      5.857750  
1 1 1 1   7   9  o 316.544 4.0661 4950.33  127.040 4953.48  179.728 4947.18  179.597 316.475 5.7536 316.274 5.7531 0.2012634      8.136482  
1 1 1 1   7   10 o 230.484 2.8736 2623.06  65.374  2682.56  88.559  2551.82  96.910  233.035 3.8502 227.258 4.3203 5.776901       5.786957  
1 1 1 1   7   11 o 233.669 4.3755 2698.12  100.917 2719.83  142.703 2676.40  142.734 234.460 6.1664 232.576 6.2177 1.884445       8.756971  
1 1 1 1   7   12 o 193.695 7.0750 1858.43  135.262 1847.69  191.248 1869.18  191.331 192.508 10.100 193.638 10.045 -1.129868      14.24502  
1 1 1 1   7   13 o 201.372 2.5320 2002.40  50.327  2013.43  71.149  1991.36  71.198  201.868 3.5708 200.757 3.5930 1.110641       5.065658  
1 1 1 1   7   14 o 247.304 3.0186 3021.57  73.683  2991.27  104.152 3051.94  104.253 245.926 4.2907 248.412 4.2519 -2.486588      6.040623  
1 1 1 1   7   15 o 76.275  1.3268 287.201  9.9892  290.226  14.416  284.406  13.855  76.665  1.9050 75.894  1.8495 0.7714005      2.655176  
1 1 1 1   7   16 o 152.495 2.0882 1148.57  31.432  1154.34  42.407  1141.54  46.823  152.828 2.8112 151.953 3.1219 0.8751831      4.201094  
1 1 1 1   7   17 o 246.222 3.1524 2997.95  76.613  3016.64  113.342 2982.22  103.959 246.699 4.6547 245.367 4.2925 1.331924       6.331817  
1 1 1 1   7   18 o 146.741 2.0075 1063.60  29.077  1080.94  41.019  1046.09  41.223  147.870 2.8104 145.462 2.8712 2.408249       4.017732  
1 1 1 1   7   19 o 41.646  1.4860 85.639   6.1084  78.296   10.799  89.094   7.4073  39.699  2.7734 42.473  1.7669 -2.774128      3.288420  
1 1 1 1   7   20 o 114.888 6.4596 660.384  72.954  690.138  103.010 630.441  103.336 116.719 9.0111 111.369 9.4912 5.350197       13.08750  
1 1 1 1   7   21 o 79.307  7.3720 318.114  57.046  321.482  69.902  311.398  98.710  79.235  9.1032 76.346  13.598 2.889465       16.36356  
1 1 1 1   7   22 o 147.245 2.0961 1071.87  30.464  1068.30  42.519  1075.62  43.669  146.877 2.9329 147.368 3.0022 -0.4903412     4.196986  
1 1 1 1   7   23 o 16.941  4.4892 14.824   7.6273  13.632   10.958  15.944   10.623  16.907  5.6190 17.832  5.4934 -0.9259052     7.858164  
1 1 1 1   7   24 o 110.894 1.8602 608.283  20.361  593.192  28.415  624.210  29.191  109.386 2.6318 112.209 2.6356 -2.822746      3.724666  
1 1 1 1   7   25 o 59.724  1.8816 176.493  11.092  164.889  16.346  186.396  15.101  57.628  2.8737 61.316  2.4952 -3.688644      3.805819  
1 1 1 1   8   0  o 267.972 7.8139 3558.30  206.677 3660.43  292.343 3456.26  292.228 271.268 10.918 263.534 11.234 7.734650       15.66604  
1 1 1 1   8   1  o 160.104 6.5186 1269.12  103.012 1233.53  145.630 1304.76  145.732 157.291 9.4236 161.829 9.1612 -4.537430      13.14279  
1 1 1 1   8   2  o 256.302 3.3269 3245.06  84.165  3045.30  132.888 3378.88  108.759 248.090 5.4268 261.457 4.2144 -13.36691      6.871021  
1 1 1 1   8   3  o 205.340 2.4808 2082.15  50.281  2107.46  71.082  2056.79  71.135  206.523 3.4870 204.022 3.5324 2.501144       4.963592  
1 1 1 1   8   4  o 337.610 3.9638 5634.11  132.088 5480.63  186.786 5787.63  186.814 332.699 5.6880 341.920 5.5354 -9.220886      7.936896  
1 1 1 1   8   5  o 336.950 3.9613 5611.63  131.744 5528.79  186.306 5694.49  186.322 334.194 5.6480 339.180 5.5655 -4.986145      7.929344  
1 1 1 1   8   6  o 60.510  0.8424 180.708  5.0313  192.410  7.1816  169.428  7.0510  62.436  1.1653 58.589  1.2193 3.847618       1.686603  
1 1 1 1   8   7  o 303.776 3.5967 4558.65  107.841 4477.93  152.501 4639.38  152.520 300.921 5.1344 306.308 5.0447 -5.387299      7.197973  
1 1 1 1   8   8  o 58.877  0.9663 171.090  5.6153  175.464  8.3604  167.495  7.5794  59.623  1.4206 58.254  1.3182 1.369255       1.937986  
1 1 1 1   8   9  o 167.184 2.5748 1380.00  42.488  1414.64  60.149  1345.49  60.026  169.235 3.6008 165.043 3.6848 4.191513       5.152035  
1 1 1 1   8   10 o 323.158 17.639 5273.81  560.501 5273.81  560.501 0.0000   0.0000  323.158 17.639 ?       ?      0.000000       17.63897  
1 1 1 1   8   11 o 156.241 6.6625 1208.52  102.745 1193.15  146.256 1223.49  144.371 154.688 9.6268 156.690 9.3779 -2.002304      13.43948  
1 1 1 1   8   12 o 280.297 3.5979 3881.35  99.541  3900.23  140.977 3862.58  140.569 280.835 5.0859 279.475 5.0958 1.359741       7.199522  
1 1 1 1   8   13 o 373.610 7.4679 6925.90  275.391 7521.79  488.015 6647.48  333.580 387.360 12.764 365.501 9.2465 21.85883       15.76123  
1 1 1 1   8   14 o 318.920 3.8015 5028.65  119.664 5167.71  169.222 4889.56  169.240 323.023 5.3075 314.178 5.4575 8.845123       7.612747  
1 1 1 1   8   15 o 112.652 1.6097 626.552  17.899  626.279  24.095  626.888  26.735  112.608 2.1678 112.654 2.4044 -0.4506683E-01 3.237403  
1 1 1 1   8   16 f 74.084  1.3818 270.959  10.104  282.229  14.093  259.038  14.495  75.597  1.8888 72.421  2.0277 3.176193       2.771119  
1 1 1 1   8   17 o 163.144 2.1846 1314.85  35.178  1342.58  47.938  1282.49  51.781  164.788 2.9473 161.026 3.2580 3.761978       4.393274  
1 1 1 1   8   18 o 131.973 1.8422 860.209  23.997  869.391  33.838  850.920  34.035  132.627 2.5849 131.208 2.6280 1.419724       3.686230  
1 1 1 1   8   19 o 47.201  6.2807 112.880  28.535  98.513   39.949  127.844  40.771  43.390  9.5837 49.784  8.6088 -6.393986      12.88250  
1 1 1 1   8   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   8   21 o 86.606  1.6201 370.471  13.849  362.026  19.298  379.439  19.887  85.579  2.2846 87.612  2.2998 -2.032982      3.241621  
1 1 1 1   8   22 o 90.363  1.6777 403.431  14.964  405.318  21.051  401.503  21.275  90.524  2.3560 90.094  2.3925 0.4300842      3.357766  
1 1 1 1   8   23 o 49.631  3.0331 122.610  14.787  163.961  49.762  118.604  15.487  55.689  9.3868 48.782  3.2348 6.907089       9.928570  
1 1 1 1   8   24 o 31.417  2.9072 49.401   8.9131  56.597   13.597  43.979   11.802  33.411  4.2172 29.395  4.1860 4.015612       5.941995  
1 1 1 1   8   25 o 57.711  1.8741 164.803  10.675  147.774  15.259  181.125  14.940  54.481  2.8475 60.439  2.5044 -5.957626      3.792120  
1 1 1 1   9   0  o 243.538 7.5491 2937.28  181.465 2987.43  255.673 2886.37  257.598 245.201 10.564 240.976 10.830 4.224640       15.12915  
1 1 1 1   9   1  o 95.166  1.1910 447.001  11.188  407.006  15.768  487.542  15.875  90.804  1.7593 99.384  1.6184 -8.580132      2.390466  
1 1 1 1   9   2  o 101.159 6.1226 508.129  60.844  489.597  86.051  526.658  86.043  98.945  8.9065 102.700 8.5663 -3.754211      12.35746  
1 1 1 1   9   3  o 96.818  1.3706 462.677  13.098  454.784  18.568  470.493  18.478  95.982  1.9600 97.627  1.9176 -1.644203      2.741988  
1 1 1 1   9   4  o 422.758 4.8991 8835.90  204.428 8871.28  289.071 8800.49  289.140 423.234 6.9198 421.536 6.9493 1.698242       9.806918  
1 1 1 1   9   5  o 220.779 2.6859 2406.84  58.531  2320.54  82.750  2493.23  82.799  216.723 3.8684 224.651 3.7341 -7.927704      5.376600  
1 1 1 1   9   6  o 140.954 2.0345 980.811  28.305  984.060  35.171  974.838  47.684  141.176 2.5240 140.486 3.4388 0.6902771      4.265674  
1 1 1 1   9   7  f 135.696 1.6813 908.910  22.518  909.961  31.830  907.856  31.862  135.761 2.3753 135.604 2.3805 0.1572418      3.362886  
1 1 1 1   9   8  o 158.496 1.8773 1240.06  29.368  1271.27  41.610  1209.09  41.456  160.460 2.6272 156.485 2.6840 3.974747       3.755816  
1 1 1 1   9   9  o 231.275 7.3699 2649.30  168.237 2696.85  238.076 2601.86  237.771 232.932 10.355 228.765 10.530 4.166748       14.76864  
1 1 1 1   9   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   9   11 o 327.103 4.4375 5287.58  143.269 5294.73  184.880 5276.84  226.676 327.177 5.7250 326.437 7.0351 0.7399597      9.070199  
1 1 1 1   9   12 o 95.912  1.4583 454.079  13.806  445.669  19.488  462.552  19.561  95.011  2.0781 96.794  2.0475 -1.783409      2.917282  
1 1 1 1   9   13 o 86.515  1.4715 369.478  12.566  391.985  17.941  347.806  17.605  89.102  2.0400 83.929  2.1251 5.172737       2.945765  
1 1 1 1   9   14 o 221.322 7.2883 2434.81  159.214 2406.43  225.132 2463.22  225.194 219.217 10.405 221.825 10.285 -2.608093      14.63023  
1 1 1 1   9   15 f 93.376  1.5290 430.477  14.092  454.219  19.455  404.268  20.440  95.902  2.0553 90.467  2.2891 5.434494       3.076373  
1 1 1 1   9   16 o 77.537  1.4183 296.825  10.855  298.631  15.291  294.990  15.411  77.758  1.9924 77.282  2.0203 0.4763489      2.837449  
1 1 1 1   9   17 o 142.088 1.9057 997.159  26.727  987.804  37.706  1006.60  37.890  141.364 2.7023 142.704 2.6900 -1.340027      3.812959  
1 1 1 1   9   18 o 44.125  6.4333 98.988   27.194  108.594  38.782  89.695   38.144  45.738  8.9107 41.396  9.5323 4.342762       13.04863  
1 1 1 1   9   19 o 79.448  6.1764 316.305  48.053  313.531  68.016  319.070  67.900  78.452  8.9434 79.179  8.8390 -0.7266235     12.57427  
1 1 1 1   9   20 o 158.730 2.3354 1245.30  36.590  1234.44  54.137  1254.44  49.646  157.893 3.4737 159.213 3.1592 -1.319962      4.695426  
1 1 1 1   9   21 o 117.730 1.8659 684.801  21.682  678.325  31.495  690.635  29.894  117.098 2.7249 118.172 2.5629 -1.074013      3.740804  
1 1 1 1   9   22 o 56.894  1.7075 159.940  9.5890  158.070  12.535  162.578  14.888  56.536  2.2464 57.315  2.6316 -0.7786293     3.460010  
1 1 1 1   9   23 o 64.306  1.5789 204.359  10.021  213.014  13.330  193.110  15.198  65.623  2.0580 62.451  2.4655 3.172127       3.211564  
1 1 1 1   9   24 o 54.531  2.7506 147.893  14.757  144.866  15.390  182.415  51.974  53.945  2.9011 58.472  9.3182 -4.526623      9.759315  
1 1 1 1   9   25 o 75.413  1.7822 281.363  13.266  282.526  19.621  280.384  18.004  75.459  2.6344 75.203  2.4256 0.2558899      3.580978  
1 1 1 1   9   26 o 115.012 6.7666 682.416  76.477  685.451  107.695 679.328  108.620 112.672 9.7808 112.023 9.9264 0.6493301      13.93547  
1 1 1 1   10  0  o 343.959 4.5068 5846.53  153.005 5703.04  216.357 5990.09  216.406 339.472 6.4571 347.934 6.3015 -8.461304      9.022297  
1 1 1 1   10  1  o 449.634 5.2089 9994.92  231.175 9913.54  326.934 10076.29 326.927 447.402 7.4034 451.072 7.3430 -3.670227      10.42731  
1 1 1 1   10  2  o 241.649 2.9127 2883.42  69.472  2815.24  98.239  2951.63  98.257  238.706 4.1695 244.427 4.0727 -5.720383      5.828510  
1 1 1 1   10  3  o 292.173 8.1928 4231.32  236.268 4193.08  334.123 4269.56  334.144 290.202 11.665 292.860 11.560 -2.657532      16.42216  
1 1 1 1   10  4  o 377.114 4.4037 7027.57  163.918 6864.77  231.796 7190.42  231.834 372.470 6.3049 381.225 6.1612 -8.754852      8.815450  
1 1 1 1   10  5  o 131.365 2.1145 851.906  27.417  886.105  38.777  817.719  38.770  133.957 2.9328 128.681 3.0524 5.275986       4.233024  
1 1 1 1   10  6  o 55.420  1.0036 151.587  5.4900  145.964  7.4516  158.264  8.1192  54.380  1.3883 56.625  1.4527 -2.244671      2.009377  
1 1 1 1   10  7  o 269.339 3.3253 3582.82  88.402  3704.94  119.958 3437.69  130.779 273.810 4.4386 263.701 5.0245 10.10956       6.704241  
1 1 1 1   10  8  o 224.608 7.3561 2499.00  163.082 2515.22  230.749 2482.82  230.517 224.920 10.394 223.457 10.451 1.462463       14.73994  
1 1 1 1   10  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   10  10 o 93.831  1.4690 434.579  13.605  415.793  18.844  455.032  19.662  91.773  2.0803 96.006  2.0749 -4.232788      2.938179  
1 1 1 1   10  11 o 233.581 3.0915 2694.78  71.276  2693.43  100.781 2696.13  100.817 233.430 4.3741 233.547 4.3735 -0.1171570     6.185483  
1 1 1 1   10  12 o 284.211 3.4046 3990.92  95.508  4030.94  135.120 3950.97  135.019 285.475 4.7953 282.624 4.8401 2.851929       6.813325  
1 1 1 1   10  13 o 138.075 1.8897 941.279  25.754  948.050  36.510  934.573  36.333  138.541 2.6700 137.552 2.6761 0.9884796      3.780240  
1 1 1 1   10  14 o 296.776 3.5670 4355.01  104.487 4424.71  147.817 4285.40  147.718 298.864 5.0109 294.105 5.0886 4.759735       7.141639  
1 1 1 1   10  15 f 142.682 3.0274 1006.40  42.636  1006.40  42.636  0.0000   0.0000  142.682 3.0274 ?       ?      0.000000       3.027409  
1 1 1 1   10  16 o 23.912  2.9051 28.685   6.7159  26.725   9.4923  30.649   9.5033  22.847  4.3685 24.556  4.0630 -1.708593      5.965917  
1 1 1 1   10  17 o 38.750  6.7177 76.961   24.762  79.414   35.435  74.620   34.618  38.964  9.3360 37.775  9.3379 1.189526       13.20443  
1 1 1 1   10  18 o 111.730 2.9077 617.369  32.066  665.588  97.315  611.495  33.963  114.777 8.6537 111.183 3.0948 3.594170       9.190450  
1 1 1 1   10  19 o 162.578 2.1826 1306.08  35.024  1291.04  49.332  1321.37  49.734  161.538 3.0940 163.426 3.0832 -1.888000      4.367927  
1 1 1 1   10  20 o 4.7291  1.9783 0.1701   1.5469  0.1444   1.5588  1.8399   12.562  4.7265  1.9822 13.547  5.6498 -8.820235      5.987398  
1 1 1 1   10  21 o 91.853  1.7028 416.786  15.438  418.681  21.564  414.794  22.113  92.019  2.3741 91.586  2.4462 0.4334717      3.408858  
1 1 1 1   10  22 o 110.562 1.8654 604.172  20.357  611.775  27.664  595.192  30.063  111.188 2.5207 109.639 2.7780 1.549057       3.751170  
1 1 1 1   10  23 o 38.220  1.5870 72.193   5.9870  70.071   13.514  72.712   6.6781  37.356  3.7143 38.351  1.7642 -0.9943848     4.112003  
1 1 1 1   10  24 o 14.696  1.4782 10.782   2.1150  11.818   12.180  10.750   2.1476  16.482  5.9026 14.670  1.5044 1.811625       6.091274  
1 1 1 1   10  25 o 81.269  6.7007 339.850  53.271  350.893  75.061  328.643  75.614  80.921  9.5839 77.982  10.058 2.938919       13.89307  
1 1 1 1   10  26 o 121.770 2.1536 735.016  25.884  714.291  37.184  754.499  36.053  119.743 3.1461 123.131 2.9665 -3.387817      4.324141  
1 1 1 1   11  0  o 262.416 3.1653 3401.08  81.985  3358.60  115.955 3443.54  115.933 260.669 4.5068 263.950 4.4499 -3.280975      6.333482  
1 1 1 1   11  1  o 43.330  0.8870 92.663   3.7934  77.973   5.3640  107.360  5.3655  39.746  1.3673 46.639  1.1655 -6.893284      1.796651  
1 1 1 1   11  2  o 118.472 1.5586 692.798  18.226  675.469  25.785  710.100  25.765  116.970 2.2334 119.932 2.1765 -2.962074      3.118515  
1 1 1 1   11  3  o 131.317 1.7541 851.215  22.736  845.389  34.538  855.671  30.204  130.848 2.6742 131.650 2.3244 -0.8013306     3.543198  
1 1 1 1   11  4  o 76.482  1.6553 288.742  12.496  287.476  12.716  324.350  67.446  76.314  1.6882 80.406  8.6335 -4.091408      8.796992  
1 1 1 1   11  5  o 110.376 1.5677 601.347  17.080  617.549  25.687  588.507  22.867  111.841 2.3269 109.183 2.1219 2.657982       3.149104  
1 1 1 1   11  6  o 283.037 4.3989 3959.00  122.891 3946.06  173.805 3971.94  173.783 282.378 6.2359 283.305 6.2147 -0.9270020     8.803901  
1 1 1 1   11  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   11  8  o 167.464 4.0389 1385.73  66.760  1362.93  94.412  1408.53  94.413  165.974 5.7631 168.735 5.6688 -2.760864      8.083843  
1 1 1 1   11  9  o 293.663 3.8979 4260.38  112.982 4145.08  155.367 4389.79  164.593 289.521 5.4368 297.927 5.5972 -8.405518      7.803031  
1 1 1 1   11  10 o 122.808 2.0223 744.573  24.513  715.547  34.690  773.519  34.643  120.368 2.9199 125.152 2.8044 -4.784485      4.048519  
1 1 1 1   11  11 o 277.475 3.6017 3804.42  98.643  3836.34  139.570 3772.57  139.436 278.467 5.0779 276.138 5.1158 2.329224       7.208106  
1 1 1 1   11  12 o 80.627  1.4196 320.895  11.297  328.912  16.061  313.045  15.894  81.619  1.9936 79.625  2.0223 1.993515       2.839747  
1 1 1 1   11  13 o 132.399 1.7874 865.499  23.359  831.333  32.969  899.936  33.100  129.729 2.5747 134.980 2.4844 -5.250900      3.577925  
1 1 1 1   11  14 o 47.823  1.1289 112.894  5.3287  112.975  7.4888  112.810  7.5838  47.835  1.5861 47.800  1.6074 0.3514481E-01  2.258212  
1 1 1 1   11  15 o 271.364 3.8122 3644.78  102.109 3579.69  137.381 3725.13  152.626 268.599 5.1819 273.863 5.6463 -5.264801      7.663714  
1 1 1 1   11  16 o 112.466 6.3007 631.777  69.662  621.138  98.241  642.536  98.795  110.809 9.0615 112.746 8.9513 -1.936844      12.73721  
1 1 1 1   11  17 o 149.604 3.2026 1107.32  47.292  1072.12  66.865  1142.56  66.897  147.011 4.6080 151.788 4.4651 -4.776047      6.416475  
1 1 1 1   11  18 o 219.965 3.1651 2394.06  68.720  2360.31  85.792  2454.48  114.788 218.244 3.9826 222.225 5.2332 -3.980835      6.576332  
1 1 1 1   11  19 o 203.259 2.9067 2043.70  58.316  2035.78  74.491  2056.23  93.723  202.713 3.7230 203.507 4.6659 -0.7938080     5.969172  
1 1 1 1   11  20 o 57.809  1.6104 165.058  9.1888  157.132  11.415  179.650  15.488  56.390  2.0508 60.271  2.6035 -3.881424      3.314217  
1 1 1 1   11  21 o 67.388  1.7185 224.349  11.430  224.981  15.862  223.666  16.485  67.450  2.3826 67.247  2.4837 0.2033615      3.441734  
1 1 1 1   11  22 o 78.968  1.7664 308.185  13.768  303.955  19.361  312.513  19.583  78.368  2.5029 79.465  2.4967 -1.096207      3.535264  
1 1 1 1   11  23 o 63.450  1.9024 199.111  11.914  202.011  17.162  196.413  16.553  63.839  2.7237 62.954  2.6639 0.8847618      3.809839  
1 1 1 1   11  24 o 38.790  10.576 83.265   41.606  96.898   59.524  70.241   58.180  41.409  13.045 36.599  12.922 4.809467       18.36160  
1 1 1 1   11  25 o 30.921  4.7633 49.150   14.071  112.211  36.211  37.935   15.271  45.748  8.3259 26.828  5.9251 18.92031       10.21900  
1 1 1 1   11  26 o 40.293  3.1348 81.381   12.369  76.883   18.042  85.370   16.990  38.747  4.8219 41.014  4.2591 -2.267017      6.433571  
1 1 1 1   12  0  o 334.809 3.9420 5540.81  130.273 5620.26  184.261 5461.40  184.206 336.946 5.5404 332.136 5.6189 4.810455       7.891016  
1 1 1 1   12  1  o 53.674  0.9300 142.187  4.9272  151.426  6.8197  132.098  7.1266  55.388  1.2474 51.732  1.3957 3.656490       1.871903  
1 1 1 1   12  2  o 232.243 2.8117 2663.64  64.452  2629.68  91.146  2697.60  91.153  230.680 4.0031 233.644 3.9526 -2.963974      5.625628  
1 1 1 1   12  3  o 331.419 3.9892 5427.67  130.495 5257.46  192.708 5571.83  177.343 325.920 5.9904 335.620 5.3534 -9.699738      8.033936  
1 1 1 1   12  4  o 84.571  1.3348 353.021  11.143  362.488  16.195  344.511  15.354  85.692  1.9147 83.541  1.8621 2.151360       2.670876  
1 1 1 1   12  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   12  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   12  7  o 197.374 2.7903 1923.61  54.359  1863.17  67.868  2031.78  90.791  194.217 3.5403 202.758 4.5366 -8.541504      5.754538  
1 1 1 1   12  8  o 76.837  1.3374 291.411  10.143  303.374  14.351  279.469  14.338  78.392  1.8547 75.239  1.9307 3.152908       2.677239  
1 1 1 1   12  9  o 156.199 2.2431 1204.64  34.583  1210.19  48.986  1199.12  48.831  156.522 3.1708 155.805 3.1753 0.7176208      4.487314  
1 1 1 1   12  10 o 253.644 3.0823 3178.10  77.167  3120.95  109.124 3235.27  109.136 251.229 4.4007 255.798 4.3225 -4.568634      6.168493  
1 1 1 1   12  11 o 242.564 3.0955 2906.93  74.112  2921.05  100.527 2890.12  109.691 243.040 4.1906 241.700 4.5979 1.339935       6.221065  
1 1 1 1   12  12 o 149.269 2.1860 1100.34  32.207  1117.31  45.553  1083.38  45.543  150.368 3.0693 148.064 3.1163 2.303802       4.373961  
1 1 1 1   12  13 o 258.081 3.3989 3293.33  86.582  3282.94  122.451 3303.71  122.440 257.429 4.8192 258.246 4.8035 -0.8163757     6.804240  
1 1 1 1   12  14 o 110.421 1.7741 602.097  19.336  583.036  27.227  621.495  27.466  108.624 2.5394 112.152 2.4811 -3.528572      3.550325  
1 1 1 1   12  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   12  16 f 70.231  1.8172 243.621  12.597  244.715  60.152  243.571  12.883  69.184  9.0235 70.223  1.8586 -1.038452      9.212883  
1 1 1 1   12  17 o 24.882  0.9996 30.562   2.4549  32.260   3.4571  28.834   3.4867  25.524  1.3773 24.120  1.4716 1.404032       2.015627  
1 1 1 1   12  18 o 68.713  1.5121 233.159  10.255  226.534  14.305  240.164  14.709  67.708  2.1405 69.715  2.1376 -2.007278      3.025073  
1 1 1 1   12  19 o 114.308 1.8457 645.497  20.825  622.024  30.139  666.939  28.807  112.144 2.7229 116.141 2.5129 -3.997101      3.705235  
1 1 1 1   12  20 o 51.477  1.4930 130.874  7.5861  107.826  13.564  141.367  9.1513  46.581  2.9655 53.494  1.7332 -6.912960      3.434810  
1 1 1 1   12  21 o 145.563 2.2302 1047.69  32.042  1012.10  43.357  1090.52  47.565  142.947 3.0729 148.350 3.2483 -5.403015      4.471513  
1 1 1 1   12  22 o 40.896  1.6204 82.643   6.5407  81.509   7.4319  86.541   13.776  40.606  1.8543 41.625  3.3821 -1.019218      3.857110  
1 1 1 1   12  23 o 67.552  6.5913 233.382  43.388  237.962  61.781  228.925  60.948  66.946  9.6265 65.605  9.7050 1.341011       13.66953  
1 1 1 1   12  24 o 46.069  2.9419 105.892  13.308  103.214  19.795  108.100  17.976  45.152  4.5016 46.346  3.9678 -1.193417      6.000676  
1 1 1 1   12  25 o 38.553  1.6552 73.538   6.2987  71.352   17.910  73.846   6.7286  37.297  4.9903 38.628  1.7648 -1.331146      5.293180  
1 1 1 1   12  26 o 39.249  4.4646 78.549   16.988  75.939   18.661  91.180   41.051  38.415  5.0435 40.061  10.319 -1.646374      11.48531  
1 1 1 1   13  0  o 58.359  0.8629 168.100  4.9704  179.394  7.1315  157.433  6.9311  60.285  1.1985 56.474  1.2434 3.810760       1.726992  
1 1 1 1   13  1  o 245.921 2.9624 2987.89  71.908  3022.24  101.729 2953.59  101.659 247.199 4.1693 244.369 4.2147 2.829453       5.928455  
1 1 1 1   13  2  o 121.806 1.5995 732.432  19.230  748.669  27.263  716.355  27.128  123.132 2.2432 120.444 2.2819 2.687828       3.199840  
1 1 1 1   13  3  o 229.606 2.9199 2604.08  66.173  2561.21  98.126  2639.83  89.618  227.584 4.3683 231.095 3.9289 -3.510330      5.875207  
1 1 1 1   13  4  o 144.097 6.5432 1029.06  93.063  1023.97  130.468 1034.32  132.785 143.144 9.2843 143.845 9.4041 -0.7009888     13.21493  
1 1 1 1   13  5  o 89.534  6.2784 399.059  55.133  385.070  77.994  413.031  77.947  87.511  9.1655 90.725  8.8158 -3.213371      12.71705  
1 1 1 1   13  6  o 124.646 1.7502 766.988  21.532  774.217  29.404  758.629  31.619  125.216 2.3791 123.943 2.5846 1.273117       3.512901  
1 1 1 1   13  7  o 190.283 2.3876 1787.93  44.843  1773.35  63.539  1802.41  63.298  189.450 3.3979 190.999 3.3576 -1.548340      4.776923  
1 1 1 1   13  8  o 289.865 3.4751 4151.88  99.425  4126.49  140.583 4177.29  140.632 288.793 4.9319 290.569 4.9035 -1.776794      6.954678  
1 1 1 1   13  9  o 235.427 3.1216 2738.41  72.537  2661.41  102.545 2815.52  102.622 231.958 4.4789 238.594 4.3576 -6.635498      6.248931  
1 1 1 1   13  10 o 62.613  1.1931 193.512  7.3732  194.777  9.9776  191.991  10.944  62.812  1.6093 62.359  1.7780 0.4531021      2.398196  
1 1 1 1   13  11 o 333.240 3.9568 5492.87  130.148 5410.25  184.098 5575.41  184.018 330.338 5.6462 335.366 5.5591 -5.027954      7.923616  
1 1 1 1   13  12 o 102.495 1.5656 518.662  15.838  523.745  22.322  513.508  22.476  102.976 2.1962 101.963 2.2333 1.012772       3.132241  
1 1 1 1   13  13 o 53.816  2.1447 143.057  11.392  145.161  15.886  140.831  16.345  54.105  2.9862 53.278  3.1219 0.8273926      4.320144  
1 1 1 1   13  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   13  15 o 131.348 1.9649 852.246  25.474  832.195  35.976  872.408  36.074  129.730 2.8096 132.832 2.7515 -3.102661      3.932453  
1 1 1 1   13  16 o 49.469  1.2044 120.821  5.8808  124.010  8.2571  117.538  8.3777  50.109  1.6695 48.783  1.7399 1.326538       2.411305  
1 1 1 1   13  17 o 55.368  2.7091 151.602  14.805  92.042   42.457  159.848  15.797  41.762  10.352 56.849  2.8152 -15.08704      10.72781  
1 1 1 1   13  18 o 63.225  1.5016 197.412  9.3707  190.003  14.195  203.134  12.475  61.999  2.3196 64.120  1.9712 -2.120636      3.044054  
1 1 1 1   13  19 o 96.788  1.6248 462.711  15.522  460.884  21.801  464.589  22.105  96.557  2.2875 96.942  2.3102 -0.3857651     3.251090  
1 1 1 1   13  20 o 71.226  1.5517 250.585  10.909  229.505  15.039  273.992  15.847  68.133  2.2363 74.449  2.1565 -6.315727      3.106725  
1 1 1 1   13  21 o 49.381  2.1038 120.568  10.254  124.802  14.420  116.237  14.584  50.113  2.9281 48.339  3.0727 1.773521       4.244442  
1 1 1 1   13  22 o 90.505  6.4413 415.084  57.166  403.608  80.603  426.697  81.088  87.951  9.4322 90.571  9.1982 -2.620392      13.17471  
1 1 1 1   13  23 o 26.584  1.2610 34.915   3.3087  36.435   4.7359  33.465   4.6247  27.083  1.7815 25.948  1.8172 1.135805       2.544797  
1 1 1 1   13  24 o 82.887  2.0475 340.287  16.751  346.897  20.633  327.504  28.694  83.614  2.5000 81.013  3.5884 2.601265       4.373406  
1 1 1 1   13  25 o 31.652  3.9531 50.932   12.081  54.747   17.978  47.791   16.314  32.322  5.8505 30.196  5.6820 2.125599       8.155602  
1 1 1 1   13  26 o 57.136  2.6589 162.389  14.995  175.875  22.555  151.709  20.073  59.075  3.8900 54.896  3.7266 4.178463       5.386953  
1 1 1 1   14  0  o 168.357 2.1068 1399.96  35.010  1390.80  49.507  1409.13  49.517  167.736 2.9902 168.840 2.9713 -1.103699      4.215466  
1 1 1 1   14  1  f 134.598 1.7226 894.531  22.885  910.185  32.359  878.867  32.369  135.738 2.4153 133.380 2.4587 2.358032       3.446573  
1 1 1 1   14  2  f 229.881 7.4240 2630.12  168.451 2564.18  239.227 2694.96  237.237 225.951 10.727 231.772 10.370 -5.821915      14.91984  
1 1 1 1   14  3  o 88.473  6.2100 390.310  53.886  389.875  76.209  390.744  76.204  87.950  8.9013 88.052  8.8898 -0.1014175     12.58021  
1 1 1 1   14  4  o 115.461 1.6061 658.146  18.303  655.415  24.750  661.443  27.192  115.204 2.1766 115.725 2.3806 -0.5212555     3.225612  
1 1 1 1   14  5  o 65.799  1.3243 213.720  8.6006  224.983  12.326  203.033  12.006  67.503  1.8500 64.125  1.8969 3.378105       2.649654  
1 1 1 1   14  6  o 151.231 2.8835 1129.94  43.042  1256.90  138.958 1116.46  45.268  158.523 8.9172 150.316 3.0511 8.206039       9.424726  
1 1 1 1   14  7  o 284.687 3.6903 4007.05  103.695 4054.57  146.663 3959.55  146.631 286.116 5.1933 282.732 5.2543 3.384491       7.387733  
1 1 1 1   14  8  o 245.135 3.6366 2971.08  87.991  3031.02  124.455 2911.17  124.421 247.377 5.0970 242.419 5.1999 4.957825       7.281404  
1 1 1 1   14  9  o 90.306  1.4408 402.598  12.843  410.905  19.128  395.781  17.329  91.216  2.1246 89.526  1.9610 1.689995       2.891269  
1 1 1 1   14  10 o 220.421 2.7639 2400.75  60.133  2412.89  85.187  2388.69  84.895  220.840 3.9081 219.729 3.9143 1.110825       5.531280  
1 1 1 1   14  11 o 58.934  1.6421 171.496  9.5524  161.033  11.311  197.513  17.836  57.101  2.0069 63.216  2.8585 -6.114223      3.492718  
1 1 1 1   14  12 o 231.182 7.5116 2667.88  171.403 2684.07  242.453 2651.70  242.348 230.563 10.654 229.139 10.715 1.424438       15.11039  
1 1 1 1   14  13 o 98.206  8.8922 488.255  85.261  542.541  121.939 436.328  119.259 102.445 12.305 91.238  13.663 11.20714       18.38779  
1 1 1 1   14  14 o 41.792  1.8882 86.276   7.7890  93.065   10.793  78.898   11.252  43.316  2.5356 39.839  2.8808 3.477551       3.837697  
1 1 1 1   14  15 o 65.475  1.5016 211.699  9.7040  217.358  13.527  205.700  13.929  66.326  2.0663 64.519  2.1872 1.807617       3.008888  
1 1 1 1   14  16 o 26.958  2.8530 36.348   7.4759  35.431   10.383  37.336   10.773  26.421  4.1152 27.130  4.1555 -0.7087879     5.848332  
1 1 1 1   14  17 o 189.199 2.4888 1769.92  46.477  1715.00  65.523  1825.53  65.937  186.058 3.5679 191.978 3.4797 -5.920242      4.983806  
1 1 1 1   14  18 o 171.949 3.3932 1464.55  57.590  1403.50  61.220  1934.10  169.777 168.272 3.6859 195.556 8.7958 -27.28412      9.536896  
1 1 1 1   14  19 o 26.100  3.5978 34.399   9.0223  32.112   13.255  36.374   12.316  24.896  5.5373 26.632  4.8643 -1.736004      7.370389  
1 1 1 1   14  20 o 59.481  1.6834 174.802  9.8831  173.975  12.867  175.990  15.434  59.317  2.1977 59.636  2.6220 -0.3187523     3.421200  
1 1 1 1   14  21 o 20.041  7.2737 16.956   18.571  13.962   25.794  20.178   26.761  21.271  8.3714 22.921  8.6551 -1.649967      12.04124  
1 1 1 1   14  22 o 37.438  1.1512 69.225   4.2541  66.898   6.0478  71.505   5.9852  36.787  1.6656 38.036  1.5942 -1.248413      2.305588  
1 1 1 1   14  23 o 113.455 2.1057 637.404  23.581  654.579  33.808  621.132  32.907  114.779 2.9842 111.809 2.9818 2.970230       4.218605  
1 1 1 1   14  24 o 89.912  1.8730 400.281  16.622  381.699  26.532  412.287  21.326  87.558  3.0700 91.160  2.3701 -3.602226      3.878458  
1 1 1 1   14  25 o 79.068  1.7805 309.557  13.895  318.129  19.377  300.484  19.936  80.037  2.4529 77.756  2.5976 2.280846       3.572696  
1 1 1 1   14  26 o 36.354  1.9064 65.691   6.8168  63.979   7.3364  76.506   18.440  35.851  2.0822 38.511  4.9670 -2.659447      5.385804  
1 1 1 1   15  0  o 170.557 2.2698 1437.27  38.212  1448.18  54.031  1426.34  54.048  171.107 3.1992 169.809 3.2246 1.298279       4.542377  
1 1 1 1   15  1  o 123.131 13.256 783.931  158.566 783.931  158.566 0.0000   0.0000  123.131 13.256 ?       ?      0.000000       13.25590  
1 1 1 1   15  2  o 97.627  6.2262 475.924  59.684  441.972  84.320  510.013  84.491  93.394  9.2695 100.561 8.5949 -7.167320      12.64100  
1 1 1 1   15  3  o 26.632  1.2878 35.015   3.3852  34.221   7.1038  35.249   3.8504  26.165  2.7939 26.679  1.4678 -0.5143147     3.155987  
1 1 1 1   15  4  o 252.336 3.0681 3147.84  76.417  3075.70  108.120 3219.83  108.019 249.202 4.3956 254.995 4.2917 -5.793091      6.143352  
1 1 1 1   15  5  o 75.107  1.2394 278.470  9.1880  282.465  13.204  274.719  12.793  75.633  1.7687 74.589  1.7377 1.043625       2.479506  
1 1 1 1   15  6  o 198.837 2.7084 1953.71  53.154  1888.96  83.970  1997.00  68.663  195.314 4.3557 200.945 3.4619 -5.631241      5.563870  
1 1 1 1   15  7  o 132.588 2.4277 868.502  31.771  1081.27  120.310 852.552  32.940  146.884 8.3327 131.359 2.5406 15.52553       8.711375  
1 1 1 1   15  8  o 215.448 2.9084 2294.38  61.848  2259.30  87.613  2329.23  87.320  213.622 4.1552 216.916 4.0784 -3.293304      5.822250  
1 1 1 1   15  9  o 69.784  1.3449 240.418  9.2634  230.517  13.636  248.903  12.623  68.317  2.0223 70.995  1.8014 -2.678055      2.708230  
1 1 1 1   15  10 o 66.418  1.3556 217.794  8.8871  226.762  12.599  208.913  12.538  67.760  1.8838 65.037  1.9531 2.723167       2.713519  
1 1 1 1   15  11 o 98.471  6.2938 484.689  60.852  477.969  86.541  491.260  85.583  97.105  9.1366 98.523  8.8967 -1.417999      12.75256  
1 1 1 1   15  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   15  13 o 11.160  4.4316 3.2109   7.2887  5.3777   10.627  1.2864   10.015  13.695  5.3786 12.056  5.0378 1.638627       7.369443  
1 1 1 1   15  14 o 69.934  1.4823 241.520  10.232  251.944  14.788  231.947  14.172  71.406  2.0981 68.513  2.0956 2.892212       2.965421  
1 1 1 1   15  15 o 16.402  4.2955 13.837   7.0367  13.240   10.335  14.354   9.6076  16.647  5.4533 16.992  5.2226 -0.3445625     7.550806  
1 1 1 1   15  16 f 71.538  1.5818 252.762  11.169  259.630  16.014  246.256  15.587  72.475  2.2386 70.584  2.2373 1.891327       3.164907  
1 1 1 1   15  17 o 57.875  2.0047 165.524  11.452  178.707  20.468  159.516  13.817  59.958  3.4734 56.796  2.4647 3.161606       4.259028  
1 1 1 1   15  18 o 56.863  1.3847 159.679  7.7714  162.681  9.3405  152.926  14.009  57.387  1.6490 55.602  2.5525 1.784023       3.038869  
1 1 1 1   15  19 o 89.238  3.2287 394.581  28.439  394.581  28.439  0.0000   0.0000  89.238  3.2287 ?       ?      0.000000       3.228714  
1 1 1 1   15  20 o 117.860 6.5239 700.305  75.599  693.164  107.064 707.405  106.762 115.939 9.4377 117.200 9.3056 -1.261208      13.25383  
1 1 1 1   15  21 o 36.178  1.2363 64.646   4.4148  59.842   6.2886  69.315   6.1993  34.742  1.8404 37.449  1.6771 -2.706615      2.489964  
1 1 1 1   15  22 o 106.851 2.0804 565.086  21.942  562.065  31.074  568.090  30.986  106.408 2.9587 106.982 2.9344 -0.5738831     4.167056  
1 1 1 1   15  23 o 101.085 2.0489 506.092  20.443  498.402  27.792  515.159  30.176  100.156 2.8113 101.777 3.0039 -1.621414      4.114210  
1 1 1 1   15  24 o 24.451  1.8638 29.781   4.4644  33.651   16.552  29.478   4.6362  25.102  6.5950 24.315  1.9481 0.7865677      6.876681  
1 1 1 1   15  25 o 90.856  2.2108 409.650  19.826  396.524  28.214  422.454  27.866  89.117  3.2075 92.030  3.0677 -2.913078      4.438340  
1 1 1 1   15  26 o 47.341  7.3258 120.620  33.126  106.844  45.811  135.717  47.958  42.531  10.871 48.431  10.347 -5.900024      15.00793  
1 1 1 1   16  0  o 28.460  9.1128 39.982   28.958  0.0000   0.0000  39.982   28.958  ?       ?      28.460  9.1128 0.000000       9.112795  
1 1 1 1   16  1  o 127.549 3.4737 805.268  43.732  0.0000   0.0000  805.268  43.732  ?       ?      127.549 3.4737 0.000000       3.473654  
1 1 1 1   16  2  o 83.768  1.3598 346.460  11.243  359.427  16.514  335.257  15.350  85.300  1.9614 82.385  1.8876 2.915100       2.722197  
1 1 1 1   16  3  o 93.782  1.3860 434.248  12.830  417.206  18.054  451.638  18.236  91.901  1.9903 95.620  1.9322 -3.719696      2.773913  
1 1 1 1   16  4  o 33.932  1.2930 56.847   4.3305  56.333   5.1076  58.159   8.1672  33.776  1.5320 34.219  2.4340 -0.4428291     2.875999  
1 1 1 1   16  5  o 142.135 1.9611 997.906  27.512  917.077  40.600  1066.54  37.412  136.175 3.0206 146.895 2.5803 -10.71945      3.972657  
1 1 1 1   16  6  o 19.077  3.1561 18.478   5.7351  24.464   8.6942  13.867   7.6308  21.859  4.1819 16.475  4.5448 5.384323       6.176043  
1 1 1 1   16  7  o 151.079 1.9593 1127.44  29.217  1100.52  41.358  1154.26  41.280  149.195 2.8085 152.801 2.7370 -3.606461      3.921588  
1 1 1 1   16  8  o 52.030  1.9995 133.729  10.269  241.923  50.795  129.118  10.485  69.157  7.5647 51.124  2.0778 18.03366       7.844836  
1 1 1 1   16  9  o 70.179  1.9691 243.289  13.640  227.816  19.188  259.093  19.392  67.875  2.8641 72.392  2.7140 -4.516846      3.945743  
1 1 1 1   16  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   16  11 o 148.660 2.2478 1092.13  32.982  1123.32  47.061  1062.03  46.237  150.667 3.1646 146.495 3.1977 4.172668       4.498848  
1 1 1 1   16  12 o 84.565  1.4823 353.148  12.373  358.825  18.061  348.128  16.984  85.213  2.1473 83.938  2.0499 1.274986       2.968722  
1 1 1 1   16  13 o 64.634  1.3834 206.289  8.8255  224.224  12.408  187.926  12.555  67.370  1.8660 61.669  2.0627 5.700722       2.781457  
1 1 1 1   16  14 o 78.871  1.5291 307.221  11.904  319.214  17.513  296.921  16.229  80.364  2.2078 77.512  2.1213 2.852463       3.061767  
1 1 1 1   16  15 o 72.946  1.6045 262.826  11.553  276.462  17.129  251.447  15.647  74.780  2.3207 71.322  2.2227 3.458168       3.213399  
1 1 1 1   16  16 o 23.899  3.4018 28.861   7.7980  24.323   12.087  32.096   10.206  21.682  5.6065 25.080  4.2762 -3.398678      7.051105  
1 1 1 1   16  17 o 142.285 2.0109 1000.58  28.241  1011.86  40.279  989.679  39.608  142.979 2.8541 141.406 2.8378 1.573410       4.024846  
1 1 1 1   16  18 o 161.971 6.7662 1317.80  108.172 1306.13  153.213 1329.39  152.744 159.475 9.7807 160.972 9.6582 -1.496689      13.74564  
1 1 1 1   16  19 o 91.352  6.3579 420.932  56.971  440.455  81.477  402.255  79.690  92.462  9.0434 88.224  9.2910 4.238495       12.96560  
1 1 1 1   16  20 o 72.289  2.0381 258.430  14.542  262.146  21.393  255.238  19.829  72.721  2.9804 71.775  2.7989 0.9458542      4.088567  
1 1 1 1   16  21 f 27.437  4.1571 38.362   10.905  45.217   16.392  32.921   14.606  29.473  5.8414 25.066  5.9861 4.406923       8.363957  
1 1 1 1   16  22 o 11.640  1.6251 6.8295   1.8161  -5.3457  2.8201  15.457   2.3739  4.2098  2.0567 17.632  1.3750 -13.42177      2.473945  
1 1 1 1   16  23 o 76.599  1.6323 290.310  12.341  284.449  17.909  295.610  17.029  75.709  2.3966 77.208  2.2346 -1.498871      3.276765  
1 1 1 1   16  24 o 23.608  1.9187 27.801   4.4323  44.006   17.065  26.629   4.5898  28.737  6.1986 23.086  2.0351 5.651134       6.524081  
1 1 1 1   16  25 o 30.846  6.7764 51.349   20.068  36.050   23.778  89.222   37.411  25.938  8.2526 39.572  9.6620 -13.63387      12.70671  
1 1 1 1   17  0  o 212.981 2.6423 2242.96  55.547  2246.41  78.515  2239.50  78.596  212.940 3.7356 212.611 3.7452 0.3296356      5.289775  
1 1 1 1   17  1  o 136.576 1.8498 921.428  24.936  881.011  35.892  959.141  34.670  133.474 2.7243 139.287 2.5218 -5.812958      3.712360  
1 1 1 1   17  2  o 137.363 1.8582 932.072  25.194  904.729  36.225  957.690  35.063  135.261 2.7133 139.180 2.5523 -3.918655      3.725117  
1 1 1 1   17  3  o 100.772 1.4853 501.468  14.774  471.804  21.118  529.900  20.675  97.712  2.1896 103.563 2.0226 -5.851250      2.980840  
1 1 1 1   17  4  o 119.699 1.7626 707.702  20.825  690.971  27.825  729.008  31.400  118.234 2.3843 121.426 2.6199 -3.191315      3.542444  
1 1 1 1   17  5  o 191.387 2.6589 1811.18  50.229  1794.95  73.352  1825.51  68.923  190.316 3.9048 191.982 3.6372 -1.666153      5.336410  
1 1 1 1   17  6  o 76.524  1.4315 289.163  10.813  288.508  15.000  289.872  15.601  76.417  1.9886 76.595  2.0636 -0.1771698     2.865841  
1 1 1 1   17  7  o 18.414  0.8526 16.738   1.5497  16.886   1.9088  16.452   2.6544  18.465  1.0517 18.192  1.4914 0.2726841      1.824896  
1 1 1 1   17  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   17  9  o 77.217  13.394 316.884  98.384  316.884  98.384  0.0000   0.0000  77.217  13.394 ?       ?      0.000000       13.39420  
1 1 1 1   17  10 o 223.705 2.8804 2475.83  63.601  2547.66  86.318  2390.53  94.073  226.707 3.8575 219.475 4.3426 7.231201       5.808453  
1 1 1 1   17  11 o 180.703 2.8063 1615.40  50.054  1642.12  70.782  1588.67  70.790  181.979 3.9407 178.979 4.0072 3.000336       5.620186  
1 1 1 1   17  12 o 90.106  1.5361 400.989  13.662  416.099  19.913  387.550  18.779  91.752  2.1988 88.551  2.1486 3.200455       3.074234  
1 1 1 1   17  13 o 83.848  1.5793 347.249  13.070  371.314  18.408  322.782  18.561  86.674  2.1518 80.801  2.3273 5.873032       3.169631  
1 1 1 1   17  14 o 215.343 2.8132 2294.79  59.795  2343.91  81.247  2236.74  88.319  217.397 3.7864 212.244 4.2159 5.152557       5.666567  
1 1 1 1   17  15 o 41.122  1.2492 83.501   5.0705  84.406   7.3910  82.697   6.9692  41.332  1.8117 40.913  1.7258 0.4184837      2.502113  
1 1 1 1   17  16 o 106.468 1.7567 560.077  18.461  604.978  26.911  520.162  25.373  110.591 2.4653 102.543 2.5069 8.048851       3.515993  
1 1 1 1   17  17 f 110.777 6.4463 617.723  70.180  650.109  98.935  584.922  99.568  112.640 8.9730 106.540 9.5705 6.100586       13.11902  
1 1 1 1   17  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   17  19 o 42.999  2.7960 91.984   11.802  95.450   17.530  89.110   15.962  43.606  4.1218 42.162  3.8792 1.444324       5.660098  
1 1 1 1   17  20 o 83.808  2.4393 347.840  20.178  423.220  78.239  342.469  20.885  90.168  8.9074 83.146  2.5448 7.022202       9.263756  
1 1 1 1   17  21 o 36.334  1.3930 65.242   4.9956  65.456   7.1294  65.035   7.0019  36.312  1.9968 36.198  1.9671 0.1140671      2.803016  
1 1 1 1   17  22 o ?       ?      -5.7482  1.4641  1.0289   1.9631  -14.2437 2.1979  5.9225  2.3159 ?       ?      0.000000       2.315864  
1 1 1 1   17  23 o 18.637  1.8932 17.386   3.4344  24.059   20.413  17.191   3.4841  22.158  7.6654 18.526  1.9338 3.631788       7.905526  
1 1 1 1   17  24 o 45.179  7.4537 109.883  32.079  106.217  45.427  113.530  45.307  42.642  10.785 44.265  10.524 -1.623096      15.06925  
1 1 1 1   17  25 o 26.141  8.1003 37.236   23.059  28.514   32.500  46.078   32.721  24.981  9.5128 28.934  9.7112 -3.953096      13.59418  
1 1 1 1   18  0  o 27.823  2.3423 38.541   6.3727  32.676   8.4499  46.275   9.7045  25.454  3.4524 30.394  3.2872 -4.939949      4.767078  
1 1 1 1   18  1  o 98.673  1.4410 480.812  14.034  481.582  19.748  480.026  19.947  98.721  2.0267 98.560  2.0505 0.1610794      2.883032  
1 1 1 1   18  2  o 115.966 1.6430 664.234  18.806  653.692  26.558  674.836  26.633  114.993 2.3398 116.841 2.3094 -1.847466      3.287564  
1 1 1 1   18  3  o 34.674  1.3763 59.370   4.7103  59.317   9.1813  59.390   5.4875  34.524  2.7163 34.676  1.6033 -0.1526527     3.154149  
1 1 1 1   18  4  o 94.062  1.4504 436.930  13.466  440.894  19.320  433.185  18.778  94.456  2.0722 93.629  2.0319 0.8270645      2.902201  
1 1 1 1   18  5  o 26.129  1.4522 33.820   3.7306  31.239   4.0952  46.411   9.0443  25.094  1.6628 30.472  3.0479 -5.378578      3.472021  
1 1 1 1   18  6  o 69.291  1.5814 237.130  10.816  223.211  19.263  243.538  13.071  67.165  2.9057 70.209  1.8861 -3.044357      3.464184  
1 1 1 1   18  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   18  8  o 149.764 2.9267 1109.93  43.264  1045.14  60.860  1176.11  61.513  145.109 4.2492 153.974 4.0475 -8.864685      5.868365  
1 1 1 1   18  9  o 128.312 2.0540 813.637  26.014  832.487  37.693  796.493  35.947  129.697 2.9444 126.870 2.8706 2.826065       4.112154  
1 1 1 1   18  10 o 114.776 9.3576 673.035  105.089 673.035  105.089 0.0000   0.0000  114.776 9.3576 ?       ?      0.000000       9.357648  
1 1 1 1   18  11 o 253.544 3.5314 3186.08  88.376  3411.35  119.173 2910.81  131.736 261.963 4.6090 241.603 5.5242 20.36064       7.194395  
1 1 1 1   18  12 o 45.330  1.6153 101.502  7.2274  116.339  13.163  95.098   8.6475  48.409  2.7663 43.866  1.9972 4.542591       3.411953  
1 1 1 1   18  13 o 73.763  1.5480 268.761  11.271  276.198  16.632  262.446  15.326  74.740  2.2545 72.863  2.1310 1.877243       3.102283  
1 1 1 1   18  14 o 239.524 3.4989 2844.57  82.720  2921.70  117.014 2767.52  116.955 242.213 4.8945 235.678 5.0277 6.535797       7.016630  
1 1 1 1   18  15 o 190.790 2.5999 1801.29  48.960  1815.17  72.343  1789.57  66.506  191.221 3.8329 189.948 3.5472 1.273697       5.222466  
1 1 1 1   18  16 o 116.988 6.4509 689.343  74.202  725.414  105.721 654.323  104.171 118.866 9.0796 112.676 9.4540 6.190239       13.10794  
1 1 1 1   18  17 o 13.768  6.0742 -4.5297  16.134  -3.6806  26.584  -5.0248  20.299  18.173  7.9129 15.529  6.8338 2.643964       10.45532  
1 1 1 1   18  18 o 93.270  1.9636 430.165  18.077  450.241  26.370  412.366  24.830  95.325  2.8026 91.233  2.7573 4.091774       3.931608  
1 1 1 1   18  19 o 29.463  4.1765 44.107   11.806  48.911   17.771  40.311   15.795  30.641  6.0903 27.788  5.9387 2.852659       8.506529  
1 1 1 1   18  20 o 63.138  1.5304 197.057  9.5373  215.859  13.423  177.889  13.553  66.037  2.0594 59.927  2.2913 6.109875       3.080780  
1 1 1 1   18  21 f 46.616  7.3874 114.587  32.857  118.010  47.725  111.503  45.303  45.884  10.730 44.695  10.455 1.188286       14.98116  
1 1 1 1   18  22 o 62.588  2.3125 194.427  14.286  184.212  20.967  203.278  19.518  60.599  3.5205 63.854  3.0968 -3.255470      4.688771  
1 1 1 1   18  23 f 26.006  8.1730 36.377   23.382  25.329   34.283  45.984   31.971  24.792  9.6826 29.044  9.5951 -4.251612      13.63152  
1 1 1 1   18  24 o 48.665  4.4200 120.910  21.000  131.048  49.783  118.715  23.161  47.083  10.924 48.013  4.9587 -0.9306755     11.99636  
1 1 1 1   18  25 o 48.595  1.9603 117.242  9.4026  107.735  10.457  157.393  21.489  46.534  2.2766 55.674  3.9359 -9.139832      4.546875  
1 1 1 1   19  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   19  1  o 147.152 1.9797 1070.18  28.755  1071.17  40.848  1069.20  40.485  147.114 2.8131 146.982 2.7906 0.1317291      3.962435  
1 1 1 1   19  2  o 69.996  1.4509 241.973  10.024  242.704  14.142  241.236  14.210  70.076  2.0446 69.863  2.0607 0.2130432      2.902867  
1 1 1 1   19  3  o 85.218  1.4686 358.668  12.353  363.567  17.525  353.831  17.416  85.767  2.0702 84.610  2.0854 1.157211       2.938466  
1 1 1 1   19  4  o 89.690  1.5058 397.308  13.330  411.772  18.968  383.191  18.738  91.274  2.1054 88.046  2.1562 3.227837       3.013645  
1 1 1 1   19  5  o 101.963 6.4582 522.437  64.661  517.823  91.210  527.098  91.681  100.559 9.2945 101.478 9.2550 -0.9189148     13.11653  
1 1 1 1   19  6  o 101.076 6.4128 513.336  63.646  542.092  91.018  485.822  89.032  102.994 9.0449 97.335  9.3833 5.659019       13.03295  
1 1 1 1   19  7  o 60.404  1.3262 180.176  7.9071  189.301  11.134  170.892  11.231  61.897  1.8225 58.806  1.9349 3.091019       2.658044  
1 1 1 1   19  8  o 98.574  1.6456 480.005  16.011  456.542  22.788  502.881  22.501  96.082  2.4029 100.852 2.2604 -4.770233      3.299016  
1 1 1 1   19  9  o 34.467  2.3765 59.027   8.0354  51.917   11.922  64.946   10.878  32.124  3.8358 36.083  3.0838 -3.959690      4.921654  
1 1 1 1   19  10 o 87.876  1.6160 381.474  14.016  384.221  20.219  378.932  19.447  88.146  2.3240 87.543  2.2507 0.6033020      3.235157  
1 1 1 1   19  11 o 126.263 2.7441 789.046  34.198  789.046  34.198  0.0000   0.0000  126.263 2.7441 ?       ?      0.000000       2.744088  
1 1 1 1   19  12 o 93.224  1.7097 429.402  15.732  414.988  21.918  444.716  22.593  91.593  2.4244 94.818  2.4140 -3.224876      3.421325  
1 1 1 1   19  13 o 55.928  1.9110 154.604  10.549  167.938  15.108  141.917  14.737  58.251  2.6277 53.466  2.8023 4.785557       3.841506  
1 1 1 1   19  14 f 170.914 3.8553 1450.87  65.038  1514.16  85.581  1364.36  100.062 174.234 4.9764 164.934 6.1465 9.299164       7.908440  
1 1 1 1   19  15 o 154.601 9.9019 1236.66  150.305 1236.66  150.305 0.0000   0.0000  154.601 9.9019 ?       ?      0.000000       9.901855  
1 1 1 1   19  16 o 63.943  2.3140 202.313  14.605  197.428  21.801  206.290  19.671  62.961  3.5223 64.502  3.0897 -1.541115      4.685356  
1 1 1 1   19  17 o 54.632  2.4803 147.786  13.375  158.518  19.984  139.078  18.001  56.364  3.6110 52.803  3.4732 3.561466       5.010224  
1 1 1 1   19  18 o 106.154 2.0141 557.496  21.103  581.944  30.538  535.151  29.195  108.322 2.8562 103.878 2.8474 4.444641       4.033081  
1 1 1 1   19  19 o 99.397  1.9061 488.843  18.700  487.418  27.331  490.097  25.642  99.105  2.7940 99.411  2.6133 -0.3063354     3.825626  
1 1 1 1   19  20 o 61.663  1.5511 188.037  9.4406  172.085  13.660  202.622  13.062  58.911  2.3493 63.958  2.0691 -5.047401      3.130518  
1 1 1 1   19  21 o 49.268  1.1012 119.946  5.3553  123.280  7.5861  116.635  7.5609  49.918  1.5397 48.551  1.5778 1.367043       2.204530  
1 1 1 1   19  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   19  23 o 73.831  2.9806 272.390  21.721  268.164  33.059  275.601  28.813  72.483  4.6453 73.813  3.9694 -1.330063      6.110230  
1 1 1 1   19  24 o 39.033  1.3576 75.407   5.2304  83.531   7.3940  67.269   7.3999  41.035  1.8255 36.744  2.0485 4.290833       2.743864  
1 1 1 1   19  25 o 64.149  6.9434 222.488  43.263  224.598  62.512  220.548  59.935  60.993  10.778 60.857  10.348 0.1359253      14.94149  
1 1 1 1   20  0  o 19.643  3.4517 19.713   6.4482  17.930   8.7343  21.849   9.5599  18.602  4.7426 20.517  4.8051 -1.914793      6.751416  
1 1 1 1   20  1  o 52.450  6.9889 141.070  35.281  141.771  50.255  140.389  49.542  51.569  10.234 51.343  10.136 0.2258186      14.40400  
1 1 1 1   20  2  o 36.351  2.1763 65.580   7.7727  68.525   10.796  62.410   11.200  37.074  2.9752 35.334  3.2478 1.740143       4.404529  
1 1 1 1   20  3  o 43.154  2.1367 92.080   9.1012  78.004   15.480  99.516   11.251  39.422  4.0352 44.772  2.5566 -5.350185      4.776895  
1 1 1 1   20  4  o 79.082  6.4488 315.809  49.899  353.855  70.650  277.940  70.487  82.981  8.7582 72.971  10.053 10.00982       13.33324  
1 1 1 1   20  5  o 80.012  2.0746 316.489  16.384  325.947  23.767  307.925  22.616  81.125  2.9681 78.857  2.9057 2.268845       4.153623  
1 1 1 1   20  6  o 148.143 2.0877 1084.98  30.527  1076.52  44.937  1092.22  41.600  147.412 3.0884 148.527 2.8376 -1.114822      4.194086  
1 1 1 1   20  7  o 73.265  1.5523 265.166  11.226  256.180  15.824  274.269  15.928  71.976  2.2274 74.478  2.1666 -2.501846      3.107337  
1 1 1 1   20  8  o 70.057  1.5255 242.449  10.549  244.186  14.359  240.413  15.548  70.280  2.0700 69.723  2.2593 0.5567169      3.064178  
1 1 1 1   20  9  o 48.873  1.4480 117.984  6.9849  117.757  10.507  118.163  9.3499  48.799  2.1814 48.894  1.9374 -0.9414673E-01 2.917566  
1 1 1 1   20  10 o 137.610 2.2607 936.580  30.706  966.422  43.463  906.842  43.386  139.642 3.1533 135.251 3.2500 4.390656       4.528334  
1 1 1 1   20  11 o 52.561  1.3302 136.447  6.9007  148.380  9.8413  124.904  9.6789  54.792  1.8197 50.266  1.9508 4.526485       2.667782  
1 1 1 1   20  12 o 85.459  2.3457 361.334  19.786  351.158  20.427  515.815  79.591  84.237  2.4568 100.451 8.0961 -16.21416      8.460679  
1 1 1 1   20  13 o 95.149  9.2975 468.979  86.203  0.0000   0.0000  468.979  86.203  ?       ?      95.149  9.2975 0.000000       9.297525  
1 1 1 1   20  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   20  15 f 117.741 2.1122 685.805  24.547  715.016  34.648  656.369  34.781  120.091 2.9231 115.035 3.0632 5.056190       4.234098  
1 1 1 1   20  16 o 107.998 2.1024 577.112  22.411  624.313  32.543  534.535  30.908  112.190 2.9388 103.797 3.0168 8.393669       4.211617  
1 1 1 1   20  17 o 30.183  4.4244 46.461   12.790  43.673   18.331  49.106   17.854  28.792  6.5923 30.661  6.1139 -1.868574      8.990972  
1 1 1 1   20  18 o 31.979  1.3101 50.535   4.1352  49.119   5.8236  51.976   5.8727  31.450  1.8847 32.359  1.8464 -0.9085903     2.638415  
1 1 1 1   20  19 o 61.975  1.9061 190.169  11.660  186.270  13.919  199.339  21.347  61.291  2.3008 63.132  3.4387 -1.840527      4.137437  
1 1 1 1   20  20 o 81.176  2.1925 326.869  17.567  332.334  24.709  321.284  24.980  81.654  3.0658 80.262  3.1532 1.391975       4.397936  
1 1 1 1   20  21 o 105.162 10.207 621.492  104.611 621.492  104.611 0.0000   0.0000  105.162 10.207 ?       ?      0.000000       10.20681  
1 1 1 1   20  22 o 25.163  1.0609 31.301   2.6349  40.884   3.8348  22.731   3.6265  28.744  1.3517 21.345  1.7364 7.399195       2.200451  
1 1 1 1   20  23 o 36.891  1.4652 67.393   5.3354  65.418   7.5539  69.360   7.5368  36.218  2.1223 37.309  2.0545 -1.090786      2.953872  
1 1 1 1   20  24 o 64.954  2.6491 210.807  16.984  223.273  24.758  199.725  23.342  66.318  3.7980 62.717  3.7884 3.601429       5.364399  
1 1 1 1   21  0  o 26.631  2.4823 35.454   6.4496  34.140   8.7555  37.013   9.5365  25.960  3.5068 27.017  3.6713 -1.056944      5.077052  
1 1 1 1   21  1  o 83.427  1.5200 343.995  12.517  352.365  17.190  334.551  18.261  84.383  2.0639 82.201  2.2506 2.181801       3.053712  
1 1 1 1   21  2  o 71.494  6.5781 260.576  45.899  240.570  65.396  280.000  64.437  67.216  10.175 73.098  9.1301 -5.882095      13.67102  
1 1 1 1   21  3  o 32.175  7.8704 54.807   24.789  65.882   35.137  43.835   34.976  35.100  9.7786 29.751  10.040 5.349054       14.01507  
1 1 1 1   21  4  o 114.227 1.7487 644.929  19.716  630.841  27.857  659.069  27.908  112.881 2.5003 115.386 2.4504 -2.505096      3.500846  
1 1 1 1   21  5  o 43.627  1.5472 94.042   6.6624  91.669   7.7702  100.632  12.947  43.063  1.8281 44.967  2.9332 -1.903770      3.456196  
1 1 1 1   21  6  o 38.589  1.4587 73.566   5.5561  69.102   12.794  74.604   6.1681  37.142  3.5322 38.856  1.6083 -1.713657      3.881142  
1 1 1 1   21  7  o 14.335  0.8970 10.186   1.2628  13.906   1.8493  6.9347   1.7287  16.743  1.1255 11.749  1.5267 4.994152       1.896788  
1 1 1 1   21  8  o 79.970  1.5582 315.987  12.300  308.746  17.764  322.655  17.047  78.995  2.2782 80.767  2.1383 -1.771988      3.124551  
1 1 1 1   21  9  o 130.618 1.9933 843.646  25.698  841.636  37.300  845.462  35.456  130.320 2.8998 130.643 2.7496 -0.3231354     3.996127  
1 1 1 1   21  10 o 38.498  2.4011 73.640   9.0783  70.882   13.325  76.029   12.402  37.601  3.6358 39.013  3.2502 -1.412155      4.876771  
1 1 1 1   21  11 o 123.013 2.2652 748.801  27.503  730.966  47.968  757.536  33.569  121.196 4.0099 123.651 2.7505 -2.455101      4.862588  
1 1 1 1   21  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   21  13 o 9.2947  2.2029 4.4476   1.9901  4.4476   1.9901  0.0000   0.0000  9.2947  2.2029 ?       ?      0.000000       2.202876  
1 1 1 1   21  14 o 84.567  2.0188 353.817  16.851  361.074  24.256  347.047  23.427  85.320  2.8803 83.653  2.8373 1.667473       4.043105  
1 1 1 1   21  15 o 81.911  1.7583 331.800  14.215  348.058  20.201  315.850  20.008  83.814  2.4419 79.830  2.5392 3.984833       3.522842  
1 1 1 1   21  16 o 51.586  2.7441 132.423  13.922  130.167  20.986  134.197  18.605  50.858  4.2186 51.765  3.6651 -0.9076195     5.588335  
1 1 1 1   21  17 o 61.736  2.4179 189.017  14.734  180.656  21.984  195.834  19.852  60.043  3.7280 62.641  3.2217 -2.598076      4.927175  
1 1 1 1   21  18 o 98.978  1.9284 485.218  18.840  503.842  27.798  469.398  25.621  100.661 2.7979 97.191  2.6708 3.469315       3.867941  
1 1 1 1   21  19 o 81.184  2.2957 327.208  18.396  326.471  27.324  327.820  24.879  80.800  3.4261 81.060  3.1095 -0.2602768     4.626781  
1 1 1 1   21  20 o 97.955  16.186 640.029  151.031 0.0000   0.0000  640.029  151.031 ?       ?      97.955  16.186 0.000000       16.18633  
1 1 1 1   21  21 o 16.800  6.2751 11.875   13.989  15.224   20.236  8.8096   19.359  19.432  7.4806 17.602  7.1418 1.829897       10.34237  
1 1 1 1   21  22 o 73.707  2.5621 271.031  18.640  256.068  26.658  285.346  26.074  71.087  3.8133 75.275  3.5093 -4.188553      5.182280  
1 1 1 1   21  23 o 14.922  2.0017 11.262   2.8739  48.309   48.178  11.130   2.8790  29.693  11.511 14.829  2.0195 14.86411       11.68685  
1 1 1 1   21  24 f 46.955  15.618 178.308  84.647  178.308  84.647  0.0000   0.0000  46.955  15.618 ?       ?      0.000000       15.61752  
1 1 1 1   22  0  o 56.473  1.6524 157.813  9.2104  158.456  12.598  157.075  13.499  56.522  2.2582 56.253  2.4313 0.2690735      3.318206  
1 1 1 1   22  1  o 31.337  7.8536 53.061   24.244  52.605   34.799  53.490   33.795  31.266  9.9873 31.438  9.8171 -0.1716309     14.00438  
1 1 1 1   22  2  o 74.192  2.8814 273.503  21.100  261.115  22.102  400.936  70.890  72.456  3.0905 87.362  8.3216 -14.90659      8.876968  
1 1 1 1   22  3  o 14.334  6.1384 -0.0966  15.488  6.3848   21.749  -6.7659  22.061  18.203  7.4987 15.831  7.0375 2.372081       10.28380  
1 1 1 1   22  4  f 90.507  1.6606 405.049  14.835  391.389  20.509  420.041  21.485  88.884  2.3377 92.076  2.3641 -3.191971      3.324687  
1 1 1 1   22  5  o 81.256  1.6599 326.441  13.313  322.598  19.046  330.113  18.616  80.697  2.3912 81.642  2.3102 -0.9448090     3.324840  
1 1 1 1   22  6  o 101.735 1.7565 511.794  17.638  522.406  25.439  501.970  24.476  102.679 2.5101 100.658 2.4635 2.020996       3.516996  
1 1 1 1   22  7  o 33.852  2.6729 57.157   8.8584  58.605   12.678  55.776   12.383  34.096  3.8336 33.250  3.8439 0.8455582      5.428823  
1 1 1 1   22  8  o 67.529  1.5068 225.368  10.043  232.675  13.975  217.563  14.444  68.573  2.0647 66.296  2.2073 2.276733       3.022467  
1 1 1 1   22  9  o 133.008 2.0505 875.378  26.919  883.198  36.707  866.278  39.597  133.453 2.7867 132.109 3.0367 1.344193       4.121504  
1 1 1 1   22  10 o 24.575  8.1154 29.977   22.871  33.140   32.520  26.882   32.173  26.846  9.6415 25.414  9.5118 1.432074       13.54372  
1 1 1 1   22  11 o 18.286  7.4798 7.0011   21.449  10.766   29.893  3.0059   30.792  21.620  8.8353 20.513  8.7165 1.106674       12.41123  
1 1 1 1   22  12 o 37.447  1.3287 69.287   4.9111  63.348   6.9648  75.160   6.9262  35.725  1.9830 38.982  1.8001 -3.257095      2.678180  
1 1 1 1   22  13 o 61.918  1.3949 189.475  8.5248  192.322  11.034  185.258  13.428  62.353  1.7928 61.158  2.2244 1.194408       2.856941  
1 1 1 1   22  14 o 119.186 2.4073 704.251  28.319  724.999  34.999  664.911  48.193  120.795 2.9355 115.261 4.2361 5.533638       5.153813  
1 1 1 1   22  15 o 26.562  0.8849 34.842   2.3200  41.657   2.8549  21.590   3.9812  29.040  0.9960 20.790  1.9634 8.250910       2.201566  
1 1 1 1   22  16 o 23.382  1.4216 27.135   3.2655  24.913   4.6685  29.262   4.5693  22.317  2.1458 24.231  1.9264 -1.914257      2.883685  
1 1 1 1   22  17 o 15.963  5.6353 11.575   11.064  5.7805   15.880  17.042   15.424  15.820  6.4494 19.026  6.6585 -3.205793      9.269865  
1 1 1 1   22  18 o 84.186  2.6725 352.904  22.207  395.894  31.388  309.819  31.422  88.854  3.5789 78.320  4.0788 10.53438       5.426372  
1 1 1 1   22  19 o 54.524  7.1304 159.463  37.454  158.173  52.984  160.751  52.953  51.865  10.705 52.371  10.607 -0.5065079     15.07024  
1 1 1 1   22  20 o 77.615  2.3969 300.066  18.363  286.448  26.108  313.398  25.832  75.438  3.5063 78.990  3.3132 -3.551643      4.824054  
1 1 1 1   22  21 o 45.183  3.3256 103.229  14.727  103.366  21.253  103.102  20.426  44.596  4.9095 44.627  4.7082 -0.3134537E-01 6.802195  
1 1 1 1   22  22 o 28.226  1.3838 39.463   3.8553  36.332   5.4278  42.652   5.4770  26.948  2.0562 29.236  1.9085 -2.287928      2.805358  
1 1 1 1   22  23 o 49.346  1.4977 120.750  7.2948  122.719  10.491  118.906  10.150  49.623  2.1419 48.854  2.1050 0.7689857      3.003093  
1 1 1 1   23  0  o 32.065  9.8242 57.661   34.028  52.515   46.610  63.533   49.791  31.556  11.513 33.789  11.952 -2.233126      16.59476  
1 1 1 1   23  1  o 57.870  2.0848 166.113  11.908  138.288  20.436  180.419  14.653  52.307  3.9882 60.250  2.4640 -7.942318      4.688018  
1 1 1 1   23  2  o 33.507  1.4787 55.544   4.8906  55.565   5.4394  55.453   11.172  33.503  1.6449 33.124  3.4685 0.3794022      3.838749  
1 1 1 1   23  3  o 43.906  2.0537 95.564   8.9001  96.873   12.406  94.176   12.775  44.021  2.8710 43.375  3.0024 0.6454620      4.154150  
1 1 1 1   23  4  o 89.983  6.5666 418.693  57.919  410.318  82.016  427.025  81.805  86.775  9.7440 88.753  9.4851 -1.977425      13.59828  
1 1 1 1   23  5  o 54.712  1.9104 148.236  10.317  142.061  14.475  154.612  14.708  53.392  2.7560 55.785  2.6712 -2.393162      3.838120  
1 1 1 1   23  6  o 33.414  2.7865 55.861   9.1062  58.299   13.061  53.555   12.703  33.908  3.9779 32.463  4.0527 1.444878       5.678761  
1 1 1 1   23  7  o 57.763  1.7091 165.084  9.7444  180.049  16.382  156.889  12.122  60.202  2.7568 56.266  2.1828 3.936089       3.516330  
1 1 1 1   23  8  o 110.069 2.7640 601.820  30.029  608.547  42.157  594.892  42.784  110.338 3.8709 109.055 3.9746 1.282501       5.548152  
1 1 1 1   23  9  o 132.316 6.7021 899.231  87.244  921.479  123.406 877.001  123.357 131.309 9.5878 127.815 9.8540 3.494003       13.74872  
1 1 1 1   23  10 o 87.080  1.8131 375.296  15.584  367.743  21.792  383.201  22.295  86.077  2.5649 87.866  2.5707 -1.789345      3.631469  
1 1 1 1   23  11 o 39.067  1.3468 75.442   5.1933  63.327   7.3273  87.672   7.3618  35.692  2.0890 42.089  1.7721 -6.397640      2.739378  
1 1 1 1   23  12 o 90.804  1.7793 408.124  15.947  418.507  23.180  398.794  21.974  91.808  2.5580 89.635  2.4837 2.172676       3.565432  
1 1 1 1   23  13 f 45.630  2.6907 103.842  12.065  114.832  17.311  93.462   16.823  47.777  3.6997 42.999  4.0101 4.777782       5.456094  
1 1 1 1   23  14 o 67.340  1.6560 224.446  11.007  229.900  15.532  218.943  15.601  68.059  2.3121 66.406  2.3801 1.652771       3.318233  
1 1 1 1   23  15 f 129.989 2.2499 838.812  28.868  851.737  41.290  826.452  40.375  130.595 3.2032 128.654 3.1795 1.941864       4.513287  
1 1 1 1   23  16 o 47.911  1.3831 113.567  6.5405  113.908  9.2385  113.224  9.2609  47.925  1.9530 47.779  1.9637 0.1455803      2.769573  
1 1 1 1   23  17 o 67.089  6.9563 239.582  45.395  245.686  63.677  233.274  64.732  65.387  10.199 63.200  10.763 2.187267       14.82768  
1 1 1 1   23  18 o 25.203  8.2765 34.517   23.800  47.749   34.273  22.193   33.076  29.101  9.9380 23.593  9.4178 5.508896       13.69155  
1 1 1 1   23  19 f 45.601  3.1301 104.860  14.004  113.231  18.871  94.601   20.891  47.044  4.1051 42.570  5.0717 4.473560       6.524887  
1 1 1 1   23  20 o 27.128  2.1563 36.863   5.7261  35.202   5.8821  66.929   25.028  26.484  2.2722 34.470  7.5638 -7.985676      7.897713  
1 1 1 1   23  21 o 82.029  1.6613 333.935  13.451  355.740  19.027  312.151  19.018  84.456  2.2825 79.054  2.4373 5.401237       3.339178  
1 1 1 1   23  22 o 20.284  1.2739 20.460   2.5376  25.669   3.4965  14.663   3.6888  22.690  1.5709 16.996  2.2545 5.693504       2.747811  
1 1 1 1   24  0  o 23.084  3.7104 27.464   8.1677  28.859   12.138  26.309   11.041  23.250  5.3937 22.241  5.1337 1.009352       7.446296  
1 1 1 1   24  1  o 35.348  2.5551 62.541   8.8547  67.463   12.950  58.219   12.134  36.464  3.6470 33.837  3.6932 2.627460       5.190421  
1 1 1 1   24  2  o 68.149  1.7370 230.142  11.684  222.377  16.389  238.169  16.663  66.848  2.4839 69.191  2.4399 -2.342850      3.481752  
1 1 1 1   24  3  o 52.083  1.5690 134.314  8.0657  142.396  9.7482  116.770  14.362  53.593  1.8428 48.254  3.0308 5.339195       3.547097  
1 1 1 1   24  4  o 47.692  1.5168 112.593  7.1401  100.345  13.352  117.497  8.4497  44.718  3.0432 48.694  1.7581 -3.975658      3.514513  
1 1 1 1   24  5  o 82.586  6.7287 358.243  54.373  385.431  77.167  331.435  76.624  83.225  9.5679 76.330  10.444 6.895630       14.16447  
1 1 1 1   24  6  o 32.352  0.9483 51.713   3.0283  59.247   3.7663  37.934   5.0932  34.622  1.1021 27.600  1.8808 7.022312       2.179961  
1 1 1 1   24  7  f 18.637  7.3394 11.912   19.839  14.644   27.517  8.9557   28.628  21.288  8.5573 20.482  8.5346 0.8050518      12.08586  
1 1 1 1   24  8  f 45.473  7.6645 111.625  33.178  100.422  46.794  122.949  47.048  41.308  11.197 46.153  10.557 -4.844616      15.38871  
1 1 1 1   24  9  o 40.228  3.2604 81.397   12.835  80.212   20.752  82.132   16.333  39.266  5.5058 40.171  4.1806 -0.9051476     6.913085  
1 1 1 1   24  10 o 7.0119  2.5711 1.9545   2.3289  6.9128   14.348  1.8203   2.3602  15.504  6.1980 6.9298  2.5797 8.573895       6.713418  
1 1 1 1   24  11 o 23.673  1.1963 27.776   2.7861  23.281   3.8783  32.569   4.0050  21.597  1.8368 25.600  1.5929 -4.002724      2.431280  
1 1 1 1   24  12 o 44.825  2.7978 100.542  12.317  100.127  17.358  100.962  17.480  44.416  4.0023 44.599  4.0138 -0.1826248     5.668253  
1 1 1 1   24  13 o 63.284  2.1829 198.934  13.635  198.139  19.183  199.745  19.385  62.955  3.0871 63.204  3.1073 -0.2494392     4.380141  
1 1 1 1   24  14 o 70.796  1.4122 248.071  9.8685  249.333  13.953  246.808  13.960  70.874  1.9945 70.512  2.0057 0.3620224      2.828646  
1 1 1 1   24  15 o 78.799  2.2293 308.819  17.339  318.058  24.750  299.914  24.298  79.665  3.1476 77.346  3.1827 2.318947       4.476290  
1 1 1 1   24  16 o 76.831  6.8386 316.134  51.318  326.065  72.227  306.008  72.928  74.857  10.027 71.891  10.595 2.965668       14.58778  
1 1 1 1   24  17 o 31.992  4.6497 53.440   14.253  39.778   20.564  66.069   19.772  26.621  7.5036 35.098  5.9178 -8.477110      9.556414  
1 1 1 1   24  18 o 4.5222  2.0744 -1.5125  2.1020  -0.6903  2.9101  -2.4096  3.0396  5.9204  2.5968 5.3438  2.4669 0.5765982      3.581759  
1 1 1 1   24  19 o 35.234  1.3434 61.493   4.6718  68.313   6.6636  54.901   6.5518  37.079  1.8207 33.157  2.0115 3.922394       2.713132  
1 1 1 1   24  20 o 20.071  1.1801 20.011   2.3276  14.407   3.4365  24.760   3.1638  16.876  2.1091 22.301  1.4451 -5.425451      2.556714  
1 1 1 1   24  21 o 11.097  1.6250 6.2434   1.7271  8.5226   2.4505  3.9939   2.4345  12.934  1.9827 8.8497  2.6092 4.084518       3.277067  
1 1 1 1   25  2  o 17.664  7.1191 9.7614   19.098  3.0835   26.405  17.086   27.654  18.500  7.9704 21.437  8.5923 -2.936417      11.71986  
1 1 1 1   25  3  o 27.604  3.3028 38.788   8.8202  44.230   12.422  33.254   12.526  29.167  4.4561 24.978  5.2476 4.189398       6.884327  
1 1 1 1   25  4  o 73.412  1.8554 267.430  13.444  267.535  18.728  267.318  19.311  73.238  2.5907 73.183  2.6734 0.5475616E-01  3.722755  
1 1 1 1   25  5  o 30.616  10.055 53.946   35.130  66.579   48.768  40.320   50.650  33.447  11.829 29.130  11.645 4.316925       16.59890  
1 1 1 1   25  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   25  7  o 56.969  2.2934 161.507  12.896  163.287  19.951  160.230  16.901  56.841  3.5742 56.488  3.0424 0.3538818      4.693766  
1 1 1 1   25  8  o 87.126  2.0704 377.192  17.804  394.850  25.653  360.780  24.731  88.842  2.9254 84.913  2.9508 3.929314       4.155131  
1 1 1 1   25  9  o 46.910  1.2952 108.893  5.9969  95.183   8.4644  122.710  8.4975  43.782  1.9587 49.744  1.7307 -5.962612      2.613775  
1 1 1 1   25  10 o 46.216  2.7712 107.099  12.583  106.941  17.900  107.252  17.692  45.795  4.0003 45.882  3.9449 -0.8721924E-01 5.618184  
1 1 1 1   25  11 o 26.796  4.4608 37.485   11.383  33.611   16.020  41.436   16.178  24.789  6.4763 27.652  6.0918 -2.862818      8.891175  
1 1 1 1   25  12 o 42.909  1.7813 91.362   7.5441  98.929   18.141  89.780   8.2954  43.915  4.2379 42.509  1.9771 1.405880       4.676368  
1 1 1 1   25  13 o 34.235  0.9238 57.930   3.1215  57.748   4.3994  58.113   4.4296  34.155  1.3050 34.263  1.3098 -0.1074333     1.848926  
1 1 1 1   25  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   25  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 1   25  16 o 93.272  2.9024 436.733  26.720  818.533  127.095 419.077  27.331  114.325 11.416 91.297  3.0330 23.02864       11.81166  
1 1 1 1   25  17 o 39.281  4.0819 79.609   15.595  80.602   19.021  77.571   27.238  39.093  5.0474 36.843  7.7363 2.249741       9.237253  
1 1 1 1   25  18 o 23.253  5.2958 29.386   11.883  21.869   16.910  36.719   16.702  20.351  6.9802 25.574  6.5789 -5.223089      9.591980  
1 1 1 1   25  19 o 33.219  1.9316 55.140   6.3060  96.346   25.111  52.366   6.5148  41.880  6.2673 32.344  2.0513 9.535862       6.594474  
1 1 1 1   25  20 o 15.879  6.8124 3.5322   19.139  11.463   26.445  -5.1909  27.734  19.364  8.1446 17.047  7.7083 2.316294       11.21396  
1 1 1 1   26  5  o 28.197  5.1242 42.362   13.736  52.822   21.967  35.646   17.602  30.566  7.3674 25.270  6.8745 5.296711       10.07661  
1 1 1 1   26  6  o 34.168  1.6335 57.914   5.5089  64.729   17.184  57.134   5.8158  35.027  5.1217 33.881  1.7450 1.146381       5.410815  
1 1 1 1   26  7  o 55.794  3.8363 158.637  20.999  230.476  57.483  147.574  22.558  62.688  9.5955 53.589  4.3009 9.099426       10.51530  
1 1 1 1   26  8  o 31.778  3.9053 51.984   11.991  54.706   16.973  49.271   16.944  31.967  5.5822 30.170  5.9014 1.797308       8.123230  
1 1 1 1   26  9  o 31.215  1.7800 48.536   5.4616  48.001   5.7520  53.433   17.407  31.024  1.8874 31.478  5.8168 -0.4534378     6.115288  
1 1 1 1   26  10 o 106.002 2.0286 559.023  21.224  536.087  28.112  589.427  32.367  103.456 2.7530 108.315 3.0275 -4.858612      4.092041  
1 1 1 1   26  11 o 44.447  1.3452 97.851   5.9016  101.047  8.3388  94.644   8.3534  45.090  1.8736 43.627  1.9399 1.462990       2.696960  
1 1 1 1   26  12 o 14.294  6.0917 1.9726   15.120  -5.4282  20.536  10.734   22.344  14.970  6.7124 18.624  7.6280 -3.654637      10.16084  
1 1 1 1   26  13 o 64.847  7.3129 233.016  45.990  246.847  65.014  219.164  65.066  62.956  10.855 58.241  11.724 4.714996       15.97755  
1 1 1 1   26  14 o 57.293  2.6666 164.549  15.080  158.257  21.139  171.068  21.518  55.588  3.8770 57.850  3.7893 -2.262081      5.421280  
1 1 1 1   26  15 o 4.9636  1.8969 0.8383   1.2952  -10.2020 2.3292  5.7806   1.5584  ?       ?      10.689  1.5199 0.000000       1.519921  
1 1 1 1   26  16 o 41.890  3.1160 89.109   12.792  88.006   17.958  90.246   18.225  41.010  4.5109 41.530  4.5191 -0.5193253     6.385227  
1 1 1 1   26  17 o 54.911  1.8840 150.188  10.211  227.292  60.902  147.958  10.358  59.157  10.829 54.491  1.9258 4.666214       10.99913  
1 1 1 1   26  18 o 49.908  7.8732 146.139  37.499  155.750  52.357  136.016  53.732  47.605  11.310 43.187  12.114 4.418434       16.57286  
1 1 1 1   27  10 o 58.045  7.7811 193.098  43.458  185.638  63.094  199.831  59.943  51.356  12.553 54.927  11.429 -3.570148      16.97608  
1 1 1 1   27  11 o 17.893  7.4855 8.6671   22.147  10.683   29.778  6.1713   33.133  20.084  8.5537 20.107  8.7923 -0.2344322E-01 12.26665  
1 1 1 1   27  12 o 34.935  4.8632 64.891   16.315  80.343   24.229  52.075   22.067  37.795  6.7422 29.844  7.5000 7.951128       10.08495  
1 1 1 1   27  13 o 36.730  1.4613 66.962   5.2977  70.420   7.2938  63.101   7.7073  37.528  1.9761 35.459  2.2132 2.068901       2.967000  
1 1 1 1   27  14 o 26.752  8.9289 44.034   27.660  43.310   37.137  44.937   41.452  26.632  10.162 27.076  10.626 -0.4442158     14.70339  
1 1 1 2   -23 0  o 14.238  4.8044 9.7191   8.0089  7.9666   11.660  11.284   11.020  14.778  5.6811 15.775  5.6181 -0.9968491     7.989863  
1 1 1 2   -23 1  o 101.657 1.7816 512.289  17.877  514.056  24.933  510.420  25.644  101.619 2.4858 101.230 2.5666 0.3887405      3.573028  
1 1 1 2   -22 0  o 29.754  1.5234 43.919   4.4588  41.854   4.8448  55.353   11.399  29.025  1.6985 33.074  3.5471 -4.049246      3.932814  
1 1 1 2   -22 1  o 68.939  1.6755 235.316  11.401  237.380  16.115  233.248  16.131  69.129  2.3618 68.521  2.3851 0.6085739      3.356599  
1 1 1 2   -22 2  o 43.935  1.9777 95.708   8.5763  93.287   11.687  98.532   12.624  43.197  2.7555 44.369  2.8986 -1.172344      3.999328  
1 1 1 2   -22 3  o 52.102  3.3396 136.374  17.084  167.604  51.031  132.432  18.130  54.490  9.8507 51.265  3.6059 3.224529       10.48996  
1 1 1 2   -21 0  o 26.312  1.5361 34.350   3.9720  33.292   4.2715  41.109   10.797  25.888  1.6808 28.413  3.9572 -2.525314      4.299319  
1 1 1 2   -21 1  o 40.718  1.4873 81.992   5.9774  80.285   6.9666  86.756   11.637  40.276  1.7524 41.677  2.8460 -1.400330      3.342255  
1 1 1 2   -21 2  o 50.751  14.118 157.968  73.301  0.0000   0.0000  157.968  73.301  ?       ?      50.751  14.118 0.000000       14.11814  
1 1 1 2   -21 3  o 73.289  6.6866 279.404  47.838  271.373  67.645  287.438  67.660  70.049  10.073 72.381  9.7159 -2.331856      13.99543  
1 1 1 2   -21 4  o 14.449  4.3020 10.654   6.5922  12.720   9.2686  8.5385   9.3778  16.004  5.1588 14.203  5.1667 1.801060       7.301218  
1 1 1 2   -21 5  o 45.566  1.8534 102.873  8.3356  109.722  11.913  96.304   11.668  46.901  2.5832 43.908  2.7054 2.993515       3.740639  
1 1 1 2   -20 0  o 126.863 6.5791 816.673  82.099  853.330  116.203 780.138  116.010 127.994 9.2605 122.039 9.7112 5.955551       13.41879  
1 1 1 2   -20 1  o 68.178  6.6844 238.177  44.403  228.737  63.217  247.369  62.383  65.297  10.137 68.259  9.5183 -2.961319      13.90546  
1 1 1 2   -20 2  o 92.015  1.7551 418.803  15.941  409.602  19.818  435.665  26.828  90.939  2.2079 93.665  2.9019 -2.726303      3.646344  
1 1 1 2   -20 3  o 52.431  1.6322 135.971  8.4468  140.529  12.052  131.570  11.842  53.245  2.2931 51.516  2.3290 1.728825       3.268417  
1 1 1 2   -20 4  o 60.116  1.5505 178.743  9.2000  183.213  13.288  174.628  12.750  60.793  2.2145 59.356  2.1762 1.436985       3.104851  
1 1 1 2   -20 5  o 13.835  4.1382 9.7117   6.0892  4.6401   8.0681  16.424   9.2819  12.075  4.7023 17.793  5.0503 -5.717781      6.900545  
1 1 1 2   -20 6  f 37.513  1.9504 69.902   7.1969  71.841   9.8918  67.722   10.490  37.928  2.6591 36.775  2.9139 1.153095       3.944872  
1 1 1 2   -19 0  o 83.262  6.4560 350.323  52.642  334.407  74.151  366.495  74.747  80.239  9.5503 84.215  9.1390 -3.976067      13.21848  
1 1 1 2   -19 1  o 46.405  2.1743 106.511  9.9589  201.584  46.672  101.976  10.194  62.608  7.7158 45.344  2.2850 17.26398       8.047022  
1 1 1 2   -19 2  o 22.090  2.7902 24.560   5.9478  27.452   8.5836  21.888   8.2494  23.186  3.8884 20.598  4.1999 2.587852       5.723530  
1 1 1 2   -19 3  f 76.050  1.4172 285.774  10.638  299.262  15.014  272.178  15.075  77.782  1.9557 74.170  2.0591 3.612259       2.839834  
1 1 1 2   -19 4  o 44.680  1.6349 98.704   7.2101  96.996   10.586  100.182  9.8477  44.176  2.4371 44.979  2.2182 -0.8028831     3.295418  
1 1 1 2   -19 5  o 37.942  1.8412 71.237   6.8952  62.938   9.5574  80.246   9.9575  35.501  2.7489 40.145  2.5259 -4.643589      3.733164  
1 1 1 2   -19 6  o 87.136  1.4570 375.390  12.531  362.972  17.599  388.158  17.846  85.601  2.0830 88.528  2.0423 -2.926460      2.917172  
1 1 1 2   -19 7  o 65.416  1.4542 211.589  9.3892  206.314  13.627  216.357  12.955  64.525  2.1396 66.095  1.9858 -1.570404      2.919155  
1 1 1 2   -19 8  o 78.687  3.1551 308.522  24.505  373.863  74.335  300.555  25.955  83.304  9.1937 77.607  3.3884 5.697334       9.798189  
1 1 1 2   -18 0  f 49.236  1.3378 119.712  6.5012  122.393  8.3098  115.480  10.438  49.775  1.6914 48.332  2.1880 1.442547       2.765569  
1 1 1 2   -18 1  o 65.446  1.3432 211.524  8.6768  208.451  12.371  214.500  12.173  64.946  1.9298 65.884  1.8719 -0.9381561     2.688544  
1 1 1 2   -18 2  o 102.825 2.1076 522.699  21.391  567.112  93.230  520.231  21.977  105.166 9.0702 102.576 2.1706 2.590141       9.326277  
1 1 1 2   -18 3  o 20.677  2.8573 21.571   5.6756  20.175   7.7570  23.179   8.3261  19.787  4.1063 21.239  4.1204 -1.452044      5.817187  
1 1 1 2   -18 4  o 84.766  1.3434 354.923  11.240  352.155  15.798  357.761  15.996  84.398  1.8964 85.066  1.9051 -0.6684875     2.688111  
1 1 1 2   -18 5  f 13.120  3.8309 8.7226   5.2704  7.0174   6.9193  11.079   8.1342  12.655  4.4576 15.060  4.8306 -2.405210      6.573037  
1 1 1 2   -18 6  o 56.192  1.3402 156.019  7.4332  147.368  10.140  166.067  10.928  54.580  1.8823 57.937  1.9110 -3.357273      2.682345  
1 1 1 2   -18 7  o 52.700  2.0070 137.486  10.440  134.751  14.645  140.313  14.885  52.013  2.8637 53.081  2.8516 -1.067814      4.041311  
1 1 1 2   -18 8  o 19.233  7.1080 15.419   17.855  3.8515   25.457  26.617   25.048  18.895  7.9717 23.856  8.4729 -4.961029      11.63348  
1 1 1 2   -18 9  o 29.920  2.2103 44.608   6.4812  38.294   8.3579  54.131   10.265  27.566  3.1270 32.819  3.2099 -5.252804      4.481283  
1 1 1 2   -17 0  o 123.338 1.6850 751.403  20.513  766.385  29.146  736.697  28.876  124.509 2.3716 122.071 2.3965 2.437614       3.371660  
1 1 1 2   -17 1  o 85.065  1.3764 357.324  11.557  375.952  16.890  340.926  15.847  87.228  1.9617 83.067  1.9328 4.161224       2.753909  
1 1 1 2   -17 2  o 70.200  1.3198 243.341  9.1449  248.538  13.040  238.311  12.829  70.926  1.8626 69.451  1.8714 1.474937       2.640390  
1 1 1 2   -17 3  o 100.715 2.0239 501.290  20.119  467.218  88.095  503.165  20.665  95.440  9.4769 100.899 2.0750 -5.459686      9.701442  
1 1 1 2   -17 4  o 26.862  1.9621 35.850   5.1662  38.632   7.2070  32.909   7.4095  27.817  2.6573 25.609  2.9874 2.207363       3.998233  
1 1 1 2   -17 5  o 63.257  1.2163 197.597  7.5942  190.004  10.706  205.288  10.774  62.009  1.7492 64.457  1.6935 -2.448299      2.434636  
1 1 1 2   -17 6  o 30.109  4.5415 46.169   13.077  48.157   32.768  45.793   14.262  30.633  9.6817 29.888  5.0120 0.7451210      10.90209  
1 1 1 2   -17 7  o 74.204  6.4640 280.286  46.871  278.651  66.342  281.914  66.229  72.759  9.4617 73.228  9.3785 -0.4684753     13.32216  
1 1 1 2   -17 8  o 71.934  1.2488 255.640  8.8668  280.632  13.145  234.777  12.010  75.328  1.7680 68.899  1.7661 6.428329       2.498982  
1 1 1 2   -17 9  o 28.190  1.7338 39.454   4.8008  39.882   7.0791  39.089   6.5324  28.243  2.5674 27.983  2.3879 0.2600727      3.506239  
1 1 1 2   -17 10 o 19.981  2.4247 20.082   4.6840  21.619   6.3157  18.202   6.9827  20.608  3.2095 18.753  3.8995 1.854574       5.050452  
1 1 1 2   -16 0  o 125.326 1.6844 775.750  20.836  751.279  29.522  800.038  29.411  123.283 2.4261 127.227 2.3421 -3.944633      3.372112  
1 1 1 2   -16 1  o 51.542  1.3208 131.169  6.7194  128.827  9.7231  133.310  9.2965  51.066  1.9290 51.950  1.8130 -0.8839760     2.647311  
1 1 1 2   -16 2  o 38.118  1.2298 71.737   4.6271  69.645   5.6890  75.825   7.9530  37.554  1.5348 39.119  2.0670 -1.565945      2.574546  
1 1 1 2   -16 3  o 40.844  1.2292 82.367   4.9553  83.706   6.2875  80.171   8.0505  41.170  1.5473 40.230  2.0340 0.9401894      2.555634  
1 1 1 2   -16 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -16 5  o 177.512 6.8971 1578.81  120.844 1627.44  171.012 1530.31  170.787 178.660 9.7343 173.054 10.042 5.605865       13.98551  
1 1 1 2   -16 6  o 119.740 6.4985 720.324  76.517  745.866  108.304 694.869  108.118 120.819 9.1498 116.442 9.4896 4.376320       13.18228  
1 1 1 2   -16 7  o 72.332  1.2021 258.365  8.5824  265.090  12.393  252.167  11.897  73.244  1.7142 71.438  1.6872 1.806175       2.405249  
1 1 1 2   -16 8  o 76.746  1.2104 290.896  9.1687  273.397  12.669  310.141  13.286  74.373  1.7258 79.215  1.6993 -4.842125      2.421952  
1 1 1 2   -16 9  o 46.707  1.1463 107.752  5.2846  120.353  7.4776  95.179   7.4694  49.347  1.5352 43.876  1.7248 5.471592       2.309043  
1 1 1 2   -16 10 o 52.925  1.1182 138.357  5.8416  134.376  8.1422  142.580  8.3858  52.136  1.5822 53.703  1.5820 -1.567951      2.237463  
1 1 1 2   -16 11 o 36.277  1.3340 65.033   4.7765  68.947   6.8954  61.422   6.6228  37.282  1.8799 35.180  1.9145 2.102283       2.683130  
1 1 1 2   -16 12 o 51.766  6.8423 139.449  34.104  127.206  48.060  151.867  48.402  47.863  10.465 52.819  9.6391 -4.956532      14.22768  
1 1 1 2   -15 0  o 66.492  1.1886 218.265  7.8007  221.178  11.291  215.605  10.790  66.921  1.7093 66.074  1.6545 0.8469543      2.378851  
1 1 1 2   -15 1  o 121.629 1.6396 730.570  19.683  703.407  27.828  757.767  27.845  119.304 2.3632 123.834 2.2781 -4.530205      3.282425  
1 1 1 2   -15 2  o 116.111 1.5715 665.763  18.011  689.141  25.559  642.703  25.384  118.098 2.1926 114.046 2.2550 4.052376       3.145263  
1 1 1 2   -15 3  o 98.282  2.0060 477.197  19.460  486.809  27.174  467.078  27.880  99.221  2.7747 97.181  2.9065 2.040749       4.018318  
1 1 1 2   -15 4  o 107.975 6.3782 583.393  67.674  608.822  95.127  557.335  96.295  109.622 8.8677 104.678 9.4209 4.943398       12.93793  
1 1 1 2   -15 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -15 6  o 151.773 1.9605 1138.08  29.370  1097.85  41.341  1179.08  41.733  148.980 2.8114 154.402 2.7383 -5.422073      3.924576  
1 1 1 2   -15 7  o 107.358 1.4461 569.201  15.324  580.912  21.758  557.675  21.585  108.422 2.0331 106.229 2.0586 2.192413       2.893357  
1 1 1 2   -15 8  o 113.102 1.5360 631.865  17.147  667.503  24.464  597.447  24.041  116.200 2.1330 109.925 2.2158 6.274094       3.075582  
1 1 1 2   -15 9  o 154.048 1.9836 1173.26  30.160  1143.44  42.460  1203.63  42.850  151.937 2.8313 155.893 2.7848 -3.956665      3.971260  
1 1 1 2   -15 10 o 104.338 1.4621 537.913  15.057  549.675  21.193  525.923  21.397  105.414 2.0368 103.103 2.1025 2.310432       2.927335  
1 1 1 2   -15 11 o 123.938 1.6402 759.383  20.065  755.581  28.159  763.306  28.598  123.522 2.3096 124.147 2.3338 -0.6253357     3.283426  
1 1 1 2   -15 12 o 72.698  2.7389 262.168  19.653  263.661  64.457  262.014  20.636  70.423  9.5169 72.658  2.8774 -2.234940      9.942369  
1 1 1 2   -15 13 o 78.740  2.0322 306.959  15.794  352.624  102.563 305.850  15.985  78.257  13.781 78.594  2.0606 -0.3364334     13.93460  
1 1 1 2   -14 0  o 126.959 1.9002 796.077  23.812  786.755  33.550  805.539  33.801  126.167 2.6941 127.665 2.6824 -1.498077      3.801771  
1 1 1 2   -14 1  o 160.050 2.0433 1265.33  32.278  1234.10  45.622  1296.63  45.675  157.987 2.9257 161.947 2.8574 -3.960114      4.089515  
1 1 1 2   -14 2  o 156.872 6.6107 1226.36  102.359 1195.51  144.481 1257.45  145.035 153.796 9.5651 157.824 9.3520 -4.028458      13.37730  
1 1 1 2   -14 3  o 105.279 6.2919 553.856  65.082  554.577  92.032  553.135  92.047  104.678 8.9947 104.537 9.0088 0.1406326      12.73046  
1 1 1 2   -14 4  o 132.650 1.9593 869.175  25.654  860.101  31.933  885.690  43.080  131.922 2.4524 133.798 3.2620 -1.875900      4.081045  
1 1 1 2   -14 5  o 46.677  1.1614 107.559  5.3508  103.633  6.9720  113.186  8.3467  45.812  1.5419 47.872  1.7664 -2.060539      2.344706  
1 1 1 2   -14 6  o 107.574 6.3214 578.677  66.825  576.924  94.437  580.434  94.572  106.684 9.0538 107.015 9.0379 -0.3309021     12.79273  
1 1 1 2   -14 7  o 19.166  1.6329 18.274   3.0597  11.601   4.3518  24.797   4.3028  15.045  3.0352 22.317  1.9737 -7.272118      3.620491  
1 1 1 2   -14 8  o 63.110  0.9826 196.619  6.1210  204.736  8.7698  188.910  8.5472  64.391  1.3799 61.852  1.4000 2.539253       1.965729  
1 1 1 2   -14 9  o 107.290 1.6284 568.605  17.245  544.973  28.674  581.997  21.584  104.947 2.7681 108.520 2.0151 -3.572571      3.423871  
1 1 1 2   -14 10 o 100.021 1.3501 494.105  13.329  503.304  18.784  484.775  18.918  100.912 1.8859 99.033  1.9353 1.878830       2.702218  
1 1 1 2   -14 11 o 9.0932  3.1791 3.6310   3.5155  2.1019   4.7921  5.4129   5.1730  9.0378  3.5919 11.058  3.8569 -2.020329      5.270456  
1 1 1 2   -14 12 o 120.214 6.5175 733.532  77.045  762.308  109.112 704.919  108.804 120.915 9.2117 115.995 9.5893 4.920799       13.29696  
1 1 1 2   -14 13 o 93.787  1.6743 434.895  15.499  448.788  22.557  422.470  21.332  95.182  2.4010 92.358  2.3401 2.824371       3.352701  
1 1 1 2   -14 14 o 98.274  7.4894 498.865  72.100  513.931  125.303 491.407  88.156  95.049  13.756 96.329  9.3911 -1.280014      16.65607  
1 1 1 2   -13 0  o 63.097  7.5244 200.989  45.937  192.189  79.592  205.384  56.251  60.367  13.675 63.440  9.2558 -3.073166      16.51277  
1 1 1 2   -13 1  f 29.500  9.3920 42.830   30.793  49.878   41.225  33.934   46.315  32.432  10.900 30.161  11.387 2.270180       15.76318  
1 1 1 2   -13 2  o 91.774  1.8185 415.924  16.473  393.088  23.460  438.133  23.136  89.187  2.6650 94.167  2.4892 -4.979591      3.646690  
1 1 1 2   -13 3  o 63.203  1.0590 197.188  6.6065  192.394  9.3449  201.978  9.3412  62.423  1.5167 63.959  1.4797 -1.536724      2.118910  
1 1 1 2   -13 4  o 186.117 2.3056 1711.44  42.355  1614.76  59.717  1809.31  60.083  180.671 3.3487 191.267 3.1825 -10.59657      4.619775  
1 1 1 2   -13 5  o 176.862 2.2334 1545.40  38.989  1492.36  55.080  1598.66  55.197  173.700 3.2126 179.792 3.1104 -6.092178      4.471603  
1 1 1 2   -13 6  o 42.522  0.8890 89.248   3.7310  88.872   4.9778  89.729   5.6362  42.429  1.1886 42.631  1.3394 -0.2021179     1.790777  
1 1 1 2   -13 7  o 106.823 1.9438 563.649  20.495  558.338  21.003  669.640  93.823  106.315 2.0015 115.288 8.3005 -8.972740      8.538415  
1 1 1 2   -13 8  o 120.518 1.6225 717.281  19.301  713.394  27.203  721.222  27.390  120.153 2.2938 120.810 2.2970 -0.6572189     3.246137  
1 1 1 2   -13 9  o 108.861 1.4461 585.185  15.538  551.235  21.776  620.399  22.177  105.624 2.0887 112.060 2.0051 -6.435753      2.895367  
1 1 1 2   -13 10 o 77.691  1.1019 297.996  8.4499  313.219  11.997  283.010  11.904  79.637  1.5262 75.697  1.5932 3.940125       2.206271  
1 1 1 2   -13 11 o 47.186  0.9085 109.917  4.2314  118.586  6.1176  101.965  5.8590  49.004  1.2648 45.439  1.3063 3.564560       1.818308  
1 1 1 2   -13 12 o 168.152 7.9606 1438.76  132.123 1491.95  161.903 1332.72  228.602 169.759 9.7028 155.395 15.095 14.36444       17.94421  
1 1 1 2   -13 13 o 51.207  0.8459 129.460  4.2755  115.170  5.5710  149.939  6.6691  48.289  1.1688 55.096  1.2264 -6.806839      1.694146  
1 1 1 2   -13 14 f 53.379  6.6161 146.455  34.111  144.280  47.853  148.701  48.638  51.856  9.7061 52.661  9.7154 -0.8045883     13.73304  
1 1 1 2   -13 15 o 32.621  7.2987 56.508   22.913  42.239   32.130  71.274   32.685  28.824  9.6234 36.256  9.1369 -7.432531      13.26999  
1 1 1 2   -12 0  o 177.202 2.9902 1551.30  52.300  1543.52  74.112  1559.02  73.817  176.663 4.2502 177.551 4.2121 -0.8882141     5.983800  
1 1 1 2   -12 1  o 183.802 2.4033 1668.53  43.601  1685.16  64.796  1654.76  58.942  184.634 3.5555 182.985 3.2634 1.649017       4.826156  
1 1 1 2   -12 2  o 158.794 2.0155 1245.18  31.590  1208.20  45.111  1280.76  44.251  156.367 2.9229 161.003 2.7846 -4.636047      4.036948  
1 1 1 2   -12 3  o 170.633 2.2633 1438.14  38.119  1432.64  53.900  1443.63  53.916  170.235 3.2078 170.887 3.1965 -0.6526031     4.528516  
1 1 1 2   -12 4  o 143.090 1.8486 1011.10  26.109  1014.92  36.558  1007.13  37.302  143.317 2.5844 142.762 2.6472 0.5554199      3.699524  
1 1 1 2   -12 5  o 7.0552  2.7423 1.5035   2.7400  -0.0221  3.6524  3.4674   4.1439  7.0564  3.0003 9.3732  3.4307 -2.316812      4.557580  
1 1 1 2   -12 6  o 126.804 1.6346 793.975  20.459  804.065  28.919  783.863  28.949  127.574 2.2966 125.959 2.3285 1.614677       3.270501  
1 1 1 2   -12 7  o 112.460 1.4616 624.442  16.224  629.964  22.946  618.921  22.941  112.931 2.0586 111.936 2.0764 0.9950714      2.923902  
1 1 1 2   -12 8  o 110.996 1.9210 608.507  21.046  617.559  21.560  425.403  96.969  111.817 1.9535 91.041  11.015 20.77624       11.18697  
1 1 1 2   -12 9  o 167.874 2.2217 1392.40  36.813  1420.61  52.060  1364.19  52.064  169.473 3.1122 166.066 3.1763 3.406830       4.446865  
1 1 1 2   -12 10 o 159.154 2.0031 1251.35  31.467  1280.71  44.496  1221.98  44.506  160.932 2.8012 157.191 2.8685 3.741196       4.009381  
1 1 1 2   -12 11 o 31.331  0.9901 48.459   3.0617  36.637   4.0667  63.929   4.6520  27.194  1.5212 35.982  1.3098 -8.787783      2.007389  
1 1 1 2   -12 12 o 118.301 6.4254 703.265  74.746  696.459  105.731 710.064  105.683 116.615 9.2621 117.800 9.1613 -1.185577      13.02746  
1 1 1 2   -12 13 f 93.960  1.2226 436.007  11.338  443.740  15.795  427.787  16.286  94.759  1.6888 93.034  1.7735 1.725357       2.448915  
1 1 1 2   -12 14 o 80.862  7.3601 334.920  58.101  304.569  100.154 350.315  71.329  73.548  14.311 82.014  8.9571 -8.466339      16.88335  
1 1 1 2   -12 15 o 88.001  6.3424 393.339  54.720  408.254  77.552  378.551  77.222  88.419  9.0121 84.928  9.3679 3.491669       12.99911  
1 1 1 2   -11 0  o 386.626 4.6361 7390.72  176.921 7333.52  260.805 7439.48  240.799 384.703 6.8684 387.598 6.2942 -2.894470      9.316223  
1 1 1 2   -11 1  o 351.500 4.3646 6108.49  151.428 6074.65  236.221 6132.10  197.298 350.068 6.8365 351.959 5.6793 -1.891296      8.887778  
1 1 1 2   -11 2  o 156.182 2.0535 1204.37  31.656  1228.55  42.749  1175.02  47.104  157.713 2.7461 154.222 3.0944 3.490723       4.137238  
1 1 1 2   -11 3  o 177.700 2.2158 1559.36  38.865  1593.35  54.981  1525.41  54.946  179.574 3.1020 175.699 3.1683 3.874786       4.434038  
1 1 1 2   -11 4  f 151.053 1.9170 1126.67  28.582  1142.90  40.414  1110.43  40.427  152.098 2.6920 149.920 2.7320 2.178238       3.835440  
1 1 1 2   -11 5  o 66.781  0.9431 220.130  6.2163  220.141  8.7608  220.118  8.8220  66.778  1.3292 66.775  1.3385 0.3669739E-02  1.886333  
1 1 1 2   -11 6  o 94.113  1.2202 437.242  11.335  439.631  15.935  434.795  16.127  94.357  1.7110 93.836  1.7412 0.5212860      2.441119  
1 1 1 2   -11 7  o 125.920 1.6176 782.905  20.104  740.757  28.254  826.127  28.612  122.450 2.3377 129.319 2.2416 -6.869102      3.238790  
1 1 1 2   -11 8  f 154.641 2.2161 1181.34  33.826  1153.81  42.119  1231.36  56.770  152.784 2.7930 157.748 3.6460 -4.964127      4.592847  
1 1 1 2   -11 9  o 79.269  1.1887 310.193  9.3002  305.806  11.527  318.373  15.741  78.700  1.4840 80.286  1.9864 -1.586403      2.479468  
1 1 1 2   -11 10 o 81.131  1.0961 324.934  8.7775  334.425  12.324  315.162  12.505  82.298  1.5172 79.890  1.5858 2.407280       2.194638  
1 1 1 2   -11 11 o 124.689 6.4389 777.033  78.976  781.890  111.684 772.175  111.693 124.288 9.1687 123.489 9.2303 0.7989502      13.01010  
1 1 1 2   -11 12 o 39.992  6.7384 82.066   25.653  76.943   36.204  87.231   36.355  38.249  9.6036 40.766  9.2476 -2.516918      13.33216  
1 1 1 2   -11 13 o 73.108  1.1298 263.898  8.1528  252.587  13.139  270.979  10.396  71.496  1.8619 74.073  1.4220 -2.576637      2.342755  
1 1 1 2   -11 14 o 42.194  0.8256 87.891   3.4385  85.820   4.7506  90.170   4.9834  41.688  1.1545 42.731  1.1815 -1.042812      1.651970  
1 1 1 2   -11 15 o 68.226  6.3516 236.661  42.282  243.871  59.922  229.512  59.669  68.244  9.1244 66.051  9.4193 2.192963       13.11397  
1 1 1 2   -11 16 o 82.002  6.3458 341.652  50.962  320.368  72.864  362.035  71.305  77.940  9.6800 83.359  8.7992 -5.419159      13.08156  
1 1 1 2   -10 0  o 171.503 2.3750 1452.18  40.204  1437.92  56.748  1466.55  56.966  170.623 3.3696 172.314 3.3493 -1.691040      4.751011  
1 1 1 2   -10 1  o 276.280 3.4903 3770.47  95.180  3725.29  140.783 3808.50  129.176 274.469 5.1967 277.566 4.7150 -3.097504      7.016869  
1 1 1 2   -10 2  o 176.353 2.1527 1535.43  37.471  1560.75  53.042  1510.20  52.941  177.769 3.0229 174.865 3.0673 2.904114       4.306577  
1 1 1 2   -10 3  o 42.427  0.8154 88.841   3.4147  91.094   4.6584  86.225   5.0202  42.961  1.0986 41.796  1.2169 1.164452       1.639422  
1 1 1 2   -10 4  o 166.962 2.0826 1376.39  34.320  1363.15  48.517  1389.66  48.556  166.117 2.9590 167.725 2.9330 -1.608444      4.166329  
1 1 1 2   -10 5  o 118.524 1.4985 693.500  17.530  691.046  24.762  695.965  24.821  118.297 2.1207 118.717 2.1182 -0.4203186     2.997343  
1 1 1 2   -10 6  o 118.536 1.5549 693.695  18.193  732.867  25.772  654.784  25.685  121.817 2.1434 115.141 2.2601 6.676636       3.114814  
1 1 1 2   -10 7  o 89.257  1.1294 393.267  9.9499  404.980  14.055  381.499  14.088  90.568  1.5722 87.902  1.6238 2.666008       2.260195  
1 1 1 2   -10 8  o 57.660  0.8110 164.098  4.6155  167.926  6.4798  160.156  6.5758  58.325  1.1256 56.959  1.1696 1.365807       1.623253  
1 1 1 2   -10 9  o 182.094 2.2588 1638.01  40.598  1613.13  57.328  1663.04  57.501  180.615 3.2158 183.392 3.1766 -2.777054      4.520160  
1 1 1 2   -10 10 o 102.283 2.5577 516.986  25.822  474.648  89.436  520.836  26.970  96.768  9.4857 102.658 2.6617 -5.890114      9.852023  
1 1 1 2   -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -10 12 o 150.578 6.7095 1130.90  99.721  1071.17  140.820 1190.98  141.235 145.347 9.8743 153.494 9.3671 -8.146927      13.61046  
1 1 1 2   -10 13 o 124.811 1.5800 769.334  19.465  758.060  27.515  780.629  27.540  123.848 2.2509 125.681 2.2201 -1.832520      3.161506  
1 1 1 2   -10 14 o 151.960 2.5743 1142.34  38.612  1216.31  54.787  1069.34  54.427  156.635 3.5436 146.827 3.7556 9.808884       5.163503  
1 1 1 2   -10 15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -10 16 o 94.520  6.3769 452.453  59.145  428.348  83.670  476.526  83.617  90.567  9.5013 95.861  8.9404 -5.294067      13.04627  
1 1 1 2   -10 17 o 36.449  8.1904 70.652   28.748  74.814   48.950  68.460   35.518  37.376  11.835 35.659  9.7922 1.717731       15.36109  
1 1 1 2   -9  0  o 329.306 4.8241 5359.83  156.803 5332.19  221.776 5387.45  221.728 328.208 6.8459 329.910 6.8091 -1.701538      9.655627  
1 1 1 2   -9  1  o 335.398 4.4257 5558.79  146.515 5602.87  207.202 5514.70  207.204 336.514 6.2382 333.849 6.2880 2.664948       8.857433  
1 1 1 2   -9  2  o 213.991 2.7271 2261.08  57.600  2237.55  85.591  2280.55  77.873  212.809 4.0748 214.867 3.6718 -2.057755      5.485116  
1 1 1 2   -9  3  o 173.285 2.2370 1482.46  38.261  1487.96  57.043  1477.96  51.586  173.568 3.3297 172.997 3.0211 0.5717468      4.495952  
1 1 1 2   -9  4  o 374.111 4.4032 6918.08  162.595 7065.79  229.948 6770.39  229.940 377.800 6.1664 369.793 6.2997 8.006378       8.815420  
1 1 1 2   -9  5  o 150.941 1.8824 1124.78  28.045  1139.14  39.614  1110.34  39.711  151.876 2.6426 149.942 2.6832 1.933594       3.765980  
1 1 1 2   -9  6  o 153.551 1.9245 1164.12  29.168  1194.81  41.244  1133.42  41.255  155.529 2.6867 151.477 2.7593 4.052185       3.851229  
1 1 1 2   -9  7  o 83.182  1.0940 341.534  8.9820  355.348  12.695  327.690  12.709  84.841  1.5160 81.471  1.5805 3.369720       2.190045  
1 1 1 2   -9  8  o 196.325 2.4164 1904.02  46.825  1875.07  66.154  1933.09  66.286  194.731 3.4418 197.725 3.3965 -2.994568      4.835503  
1 1 1 2   -9  9  o 228.733 7.4688 2607.62  168.622 2627.22  238.480 2588.02  238.454 228.468 10.575 226.723 10.656 1.744400       15.01259  
1 1 1 2   -9  10 o 106.740 6.2840 568.329  65.914  528.314  92.181  610.194  94.286  102.263 9.2320 110.082 8.7498 -7.819221      12.71962  
1 1 1 2   -9  11 o 369.770 9.5108 6866.06  347.121 6799.77  490.877 6932.37  490.929 364.681 13.637 368.345 13.503 -3.663849      19.19128  
1 1 1 2   -9  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -9  13 o 131.216 1.8913 850.431  24.495  857.641  30.490  837.309  41.135  131.741 2.3448 130.098 3.2034 1.643219       3.969828  
1 1 1 2   -9  14 o 117.218 1.4902 678.530  17.242  669.275  24.404  687.755  24.364  116.379 2.1245 117.977 2.0923 -1.598007      2.981786  
1 1 1 2   -9  15 f 205.183 2.8440 2083.86  57.599  2012.12  95.896  2124.35  72.041  201.062 4.8321 207.003 3.5259 -5.941147      5.981763  
1 1 1 2   -9  16 o 79.238  1.3945 310.144  10.906  317.179  15.492  303.233  15.356  80.096  1.9596 78.313  1.9866 1.782646       2.790442  
1 1 1 2   -9  17 o 164.636 6.9415 1372.02  112.801 1370.21  159.567 1373.83  159.481 162.083 10.023 162.315 10.003 -0.2325287     14.16088  
1 1 1 2   -9  18 o 60.026  6.4514 184.156  37.624  210.014  53.760  159.333  52.673  63.248  8.8541 54.423  10.180 8.824909       13.49153  
1 1 1 2   -8  0  o 272.845 4.2412 3678.23  114.218 3056.76  299.126 3784.30  123.582 247.680 12.236 276.729 4.5245 -29.04904      13.04545  
1 1 1 2   -8  1  o 406.684 5.0836 8175.43  204.062 8229.72  288.629 8121.17  288.545 407.711 7.1722 405.005 7.2181 2.706146       10.17553  
1 1 1 2   -8  2  o 328.807 4.3217 5341.72  140.257 5311.94  198.324 5371.52  198.382 327.700 6.1315 329.536 6.0991 -1.836548      8.648359  
1 1 1 2   -8  3  o 126.038 1.5934 784.113  19.823  787.483  28.013  780.733  28.055  126.299 2.2471 125.756 2.2602 0.5426636      3.187128  
1 1 1 2   -8  4  o 290.167 3.4793 4158.71  99.650  4198.04  140.922 4119.37  140.930 291.417 4.8992 288.669 4.9462 2.748108       6.961851  
1 1 1 2   -8  5  o 275.363 3.2868 3745.09  89.333  3750.06  126.291 3740.11  126.381 275.436 4.6454 275.069 4.6549 0.3666077      6.576260  
1 1 1 2   -8  6  o 163.683 2.7606 1323.15  44.601  1339.23  63.023  1307.01  63.127  164.620 3.8787 162.624 3.9328 1.995392       5.523662  
1 1 1 2   -8  7  o 118.198 6.2747 694.456  72.942  652.135  103.069 736.919  103.242 114.044 9.2357 121.382 8.6744 -7.338745      12.67053  
1 1 1 2   -8  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -8  9  o 57.485  6.1784 165.937  34.506  157.225  48.766  174.673  48.832  55.349  9.2529 58.522  8.7202 -3.172161      12.71443  
1 1 1 2   -8  10 o 39.373  6.4498 79.029   24.198  84.978   34.226  73.084   34.216  40.459  8.8194 37.474  9.2954 2.985191       12.81351  
1 1 1 2   -8  11 o 168.916 6.7830 1419.89  113.090 1357.85  161.050 1480.24  158.841 164.106 9.9902 171.566 9.4159 -7.460693      13.72820  
1 1 1 2   -8  12 o 347.602 9.1389 6057.80  313.552 6090.00  443.458 6025.61  443.401 345.773 12.994 343.883 13.063 1.890167       18.42501  
1 1 1 2   -8  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -8  14 o 217.289 3.0055 2335.06  64.460  2381.70  80.770  2253.26  106.976 219.323 3.7311 213.029 5.0876 6.293793       6.309106  
1 1 1 2   -8  15 o 203.592 2.5060 2049.36  50.359  2082.37  71.260  2016.43  71.176  205.042 3.5210 201.758 3.5741 3.283844       5.017160  
1 1 1 2   -8  16 o 126.737 1.8173 793.696  22.734  758.708  38.493  812.438  28.172  123.757 3.1512 128.184 2.2266 -4.427628      3.858508  
1 1 1 2   -8  17 o 76.429  1.1217 288.460  8.4622  247.949  14.079  311.373  10.588  70.812  2.0143 79.396  1.3511 -8.583900      2.425491  
1 1 1 2   -8  18 o 118.757 2.7711 698.864  32.483  694.105  107.783 699.339  34.066  115.488 9.5408 118.773 2.9059 -3.284683      9.973492  
1 1 1 2   -8  19 o 79.126  7.4352 321.986  57.388  326.839  70.156  312.173  99.771  78.914  9.1784 74.243  14.131 4.670135       16.85023  
1 1 1 2   -7  0  o 199.316 2.5386 1961.58  49.943  2025.67  67.467  1883.89  74.284  202.507 3.3753 195.266 3.8542 7.241837       5.123280  
1 1 1 2   -7  1  o 327.279 5.3719 5296.65  173.532 5203.15  398.729 5318.50  192.744 322.963 12.508 327.878 5.9557 -4.914948      13.85362  
1 1 1 2   -7  2  o 164.854 2.1483 1341.61  34.956  1367.85  52.213  1320.29  47.058  166.430 3.1785 163.519 2.9156 2.910400       4.313182  
1 1 1 2   -7  3  o 119.501 2.0682 704.949  24.394  629.250  34.291  782.515  34.711  112.886 3.0776 125.891 2.7934 -13.00536      4.156266  
1 1 1 2   -7  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -7  5  o 209.792 7.1096 2179.12  147.220 2225.42  208.204 2132.82  208.196 211.681 9.9649 207.202 10.180 4.479340       14.24538  
1 1 1 2   -7  6  o 155.731 6.5403 1200.49  100.532 1203.80  142.191 1197.18  142.157 155.433 9.3111 154.999 9.3355 0.4338226      13.18513  
1 1 1 2   -7  7  o 37.834  6.4846 72.881   23.344  80.169   33.024  65.602   33.003  39.413  8.7200 35.672  9.2837 3.741035       12.73676  
1 1 1 2   -7  8  o 67.944  6.0927 230.564  40.425  223.432  57.153  237.705  57.187  66.414  8.9460 68.595  8.6379 -2.180946      12.43565  
1 1 1 2   -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -7  10 o 145.833 6.4866 1056.54  93.369  1023.72  131.982 1089.42  132.107 142.732 9.4213 147.338 9.1289 -4.606354      13.11859  
1 1 1 2   -7  11 o 159.271 6.6259 1261.29  104.163 1306.46  147.427 1216.26  147.192 161.263 9.3016 155.476 9.6390 5.786987       13.39515  
1 1 1 2   -7  12 o 44.788  6.4213 101.714  27.575  107.535  38.814  95.782   39.183  45.592  8.9446 42.893  9.5049 2.699226       13.05185  
1 1 1 2   -7  13 o 91.814  6.2109 420.927  55.954  415.115  79.035  426.767  79.228  90.610  8.9543 91.911  8.8424 -1.301620      12.58439  
1 1 1 2   -7  14 o 130.222 6.3897 843.955  82.128  857.508  117.320 830.931  115.009 130.381 9.1749 128.346 9.1382 2.034424       12.94935  
1 1 1 2   -7  15 o 142.609 6.5309 1013.98  91.929  1052.55  130.239 975.689  129.778 144.306 9.1916 138.792 9.5311 5.513748       13.24107  
1 1 1 2   -7  16 o 47.870  6.5612 116.625  30.186  123.759  42.985  109.684  42.399  48.683  9.2844 45.674  9.7044 3.009197       13.43034  
1 1 1 2   -7  17 o 15.282  5.9269 7.4560   12.777  6.0474   18.678  8.6950   17.517  17.199  7.0012 17.439  6.8874 -0.2393074     9.821063  
1 1 1 2   -7  18 o 47.502  0.9461 111.409  4.4359  118.133  5.6509  100.613  7.1603  48.909  1.1706 45.123  1.6077 3.785755       1.988687  
1 1 1 2   -7  19 o 126.963 2.2299 797.676  27.944  761.428  39.755  833.074  39.286  123.856 3.2520 129.592 3.0713 -5.736168      4.473065  
1 1 1 2   -6  0  o 110.039 1.3485 597.701  14.647  589.193  20.711  606.212  20.716  109.242 1.9208 110.809 1.8941 -1.567101      2.697566  
1 1 1 2   -6  1  o 242.268 7.4912 2912.67  179.135 2938.61  253.355 2886.73  253.316 242.683 10.577 240.508 10.671 2.175476       15.02458  
1 1 1 2   -6  2  o 54.678  5.9718 149.695  31.705  172.064  44.774  127.199  44.902  58.371  7.9804 49.784  9.4840 8.586941       12.39484  
1 1 1 2   -6  3  o 132.276 6.2976 865.711  82.222  903.510  116.315 827.958  116.244 134.688 8.7977 128.852 9.2005 5.835663       12.72984  
1 1 1 2   -6  4  o 119.664 6.2374 710.209  73.416  687.461  103.780 732.999  103.874 117.404 9.0247 121.291 8.7350 -3.886833      12.55965  
1 1 1 2   -6  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -6  6  o 142.210 6.4053 1000.60  89.910  944.892  127.101 1056.40  127.201 137.678 9.4094 145.684 8.8885 -8.006653      12.94380  
1 1 1 2   -6  7  o 146.606 6.4754 1063.78  93.702  1009.57  133.393 1116.57  131.653 142.268 9.5548 149.742 8.9484 -7.474030      13.09075  
1 1 1 2   -6  8  o 389.260 9.7216 7537.67  373.519 7661.57  528.283 7413.82  528.188 390.927 13.691 384.454 13.919 6.472992       19.52402  
1 1 1 2   -6  9  o 197.918 7.0368 1943.62  137.465 1960.63  193.330 1926.24  195.498 198.266 9.8791 196.215 10.129 2.051224       14.14884  
1 1 1 2   -6  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -6  11 o 44.548  6.1207 100.332  26.202  80.887   37.068  119.750  37.042  39.425  9.6125 48.388  8.0379 -8.963326      12.53031  
1 1 1 2   -6  12 o 100.638 6.2317 505.008  61.597  496.045  86.976  514.027  87.247  99.192  8.9810 101.021 8.8389 -1.828842      12.60098  
1 1 1 2   -6  13 o 11.408  4.8722 -0.3448  9.7095  4.5146   13.373  -5.7627  14.120  14.705  5.9464 12.579  5.6084 2.126400       8.173973  
1 1 1 2   -6  14 o 44.690  7.6737 102.391  32.630  93.380   39.535  121.647  57.793  42.305  9.6778 48.065  12.170 -5.759575      15.54874  
1 1 1 2   -6  15 o 92.484  7.3686 429.552  66.706  426.040  82.368  436.243  113.710 91.656  9.2303 91.615  12.935 0.4078674E-01  15.89024  
1 1 1 2   -6  16 o 161.173 6.7383 1296.68  107.196 1225.24  152.668 1366.14  150.549 155.315 10.012 164.340 9.3195 -9.025421      13.67819  
1 1 1 2   -6  17 o 230.932 4.8291 2652.08  110.073 2304.10  244.311 2740.71  123.296 211.036 11.776 234.567 5.3254 -23.53084      12.92393  
1 1 1 2   -6  18 o 31.324  2.3403 48.808   7.1837  0.0000   0.0000  48.808   7.1837  ?       ?      31.324  2.3403 0.000000       2.340337  
1 1 1 2   -6  19 o 39.486  1.8370 77.078   7.1596  81.472   35.689  76.893   7.3082  39.025  9.3812 39.437  1.8775 -0.4119492     9.567225  
1 1 1 2   -6  20 o 59.147  6.5190 178.770  37.426  193.449  53.095  164.275  52.763  60.605  9.1619 55.423  10.014 5.181786       13.57249  
1 1 1 2   -5  0  o 109.597 7.1939 599.126  77.389  558.520  132.416 620.190  95.372  104.501 13.127 111.236 8.7573 -6.735634      15.78040  
1 1 1 2   -5  1  o 181.550 6.7600 1635.81  121.137 1672.10  171.353 1599.56  171.273 182.808 9.5295 178.732 9.7454 4.076248       13.63024  
1 1 1 2   -5  2  o 111.357 2.3560 612.354  25.896  448.198  90.150  627.118  27.035  94.306  9.8293 112.689 2.4306 -18.38297      10.12533  
1 1 1 2   -5  3  o 103.444 6.1249 531.660  62.259  483.025  88.035  580.322  88.059  98.150  9.1944 107.796 8.3413 -9.645508      12.41429  
1 1 1 2   -5  4  o 260.890 3.1128 3361.21  80.158  3257.17  113.330 3465.36  113.391 256.732 4.4723 264.821 4.3380 -8.088501      6.230574  
1 1 1 2   -5  5  o 509.778 5.8249 12850.34 293.093 12948.09 414.493 12752.58 414.499 511.220 8.2144 507.331 8.2775 3.889374       11.66162  
1 1 1 2   -5  6  o 228.845 2.9789 2585.86  67.286  2635.46  95.160  2536.27  95.154  230.974 4.1741 226.581 4.2547 4.392471       5.960310  
1 1 1 2   -5  7  o 123.184 1.5417 748.984  18.745  793.885  26.585  704.592  26.434  126.814 2.1239 119.468 2.2417 7.346321       3.088106  
1 1 1 2   -5  8  o 43.929  0.7011 95.241   3.0398  98.589   4.1657  91.427   4.4457  44.694  0.9443 43.040  1.0465 1.654430       1.409551  
1 1 1 2   -5  9  o 144.535 2.4393 1031.51  34.800  1104.91  49.357  958.952  49.072  149.556 3.3436 139.318 3.5686 10.23741       4.890255  
1 1 1 2   -5  10 o 249.339 7.6407 3088.27  188.044 2991.70  265.842 3184.99  266.025 244.555 11.013 252.433 10.677 -7.878357      15.33903  
1 1 1 2   -5  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -5  12 o 134.089 6.5014 893.318  86.047  855.188  121.607 931.549  121.770 130.367 9.5164 136.197 9.1107 -5.830475      13.17442  
1 1 1 2   -5  13 o 204.832 7.2344 2088.97  146.262 2087.99  205.666 2089.98  208.047 203.634 10.265 203.685 10.383 -0.5068970E-01 14.60074  
1 1 1 2   -5  14 o 52.750  6.3549 140.269  32.422  149.804  45.969  130.831  45.735  54.027  8.9324 50.279  9.5651 3.747707       13.08736  
1 1 1 2   -5  15 o 139.188 1.8502 956.732  25.419  988.820  36.046  924.989  35.852  141.458 2.5816 136.811 2.6549 4.646927       3.703169  
1 1 1 2   -5  16 o 74.768  1.0453 275.956  7.7144  310.442  11.548  248.160  10.367  79.293  1.4754 70.894  1.4816 8.398926       2.090924  
1 1 1 2   -5  17 o 220.400 2.7440 2402.22  59.694  2394.97  84.519  2409.43  84.320  219.839 3.8951 220.507 3.8741 -0.6677246     5.493697  
1 1 1 2   -5  18 o 202.708 2.8554 2033.83  57.132  2105.20  95.967  1994.65  71.105  205.713 4.7263 200.576 3.5916 5.136917       5.936155  
1 1 1 2   -5  19 o 46.627  0.9991 107.344  4.5979  91.101   6.5997  122.665  6.4094  42.940  1.5571 49.835  1.3030 -6.895020      2.030380  
1 1 1 2   -5  20 o 59.286  1.0412 173.559  6.0929  173.883  8.5464  173.224  8.6887  59.325  1.4595 59.211  1.4867 0.1137009      2.083379  
1 1 1 2   -5  21 o 62.712  1.0845 194.229  6.7130  214.337  9.5115  174.272  9.4759  65.859  1.4632 59.377  1.6168 6.481995       2.180619  
1 1 1 2   -4  0  o 192.710 2.5074 1834.01  47.693  1828.59  67.442  1839.44  67.456  192.360 3.5520 192.931 3.5423 -0.5702362     5.016469  
1 1 1 2   -4  1  o 58.333  0.7972 167.945  4.5901  179.846  6.4910  156.041  6.4918  60.363  1.0895 56.226  1.1698 4.137302       1.598516  
1 1 1 2   -4  2  o 155.788 2.0162 1198.35  31.003  1244.62  41.693  1141.12  46.368  158.738 2.6610 151.972 3.0911 6.766159       4.078743  
1 1 1 2   -4  3  o 181.661 2.2270 1629.58  39.931  1626.28  56.471  1632.89  56.472  181.424 3.1535 181.793 3.1472 -0.3685913     4.455289  
1 1 1 2   -4  4  o 137.050 2.3284 927.425  31.497  926.208  32.620  944.196  121.065 136.957 2.4131 137.519 8.9682 -0.5619202     9.287215  
1 1 1 2   -4  5  o 100.284 1.2134 496.376  12.011  489.780  16.953  503.024  17.019  99.611  1.7243 100.949 1.7081 -1.337959      2.427083  
1 1 1 2   -4  6  o 419.539 4.8790 8698.30  202.038 8931.39  285.745 8465.27  285.705 424.851 6.8141 413.586 6.9987 11.26483       9.768017  
1 1 1 2   -4  7  o 230.968 3.0216 2634.08  68.884  2744.47  97.454  2523.86  97.379  235.702 4.1889 226.021 4.3650 9.681351       6.049813  
1 1 1 2   -4  8  o 129.166 1.6259 823.530  20.729  829.237  29.292  817.805  29.338  129.602 2.2899 128.705 2.3094 0.8968506      3.252241  
1 1 1 2   -4  9  o 311.097 4.1463 4782.07  127.319 4828.91  160.780 4703.32  208.489 312.508 5.2124 308.204 6.8535 4.303467       8.610434  
1 1 1 2   -4  10 o 228.971 7.3734 2600.23  166.641 2633.26  235.667 2567.20  235.666 229.863 10.387 226.933 10.521 2.930008       14.78471  
1 1 1 2   -4  11 o 99.790  6.2569 495.638  61.316  460.570  86.581  530.921  86.847  95.681  9.2847 102.915 8.6292 -7.234009      12.67550  
1 1 1 2   -4  12 o 122.105 9.3259 749.249  111.549 683.291  157.627 815.420  157.880 115.220 14.158 126.441 12.828 -11.22105      19.10532  
1 1 1 2   -4  13 o 171.503 2.1237 1452.66  35.950  1507.85  50.946  1397.92  50.736  174.671 2.9550 168.175 3.0565 6.496429       4.251368  
1 1 1 2   -4  14 o 88.596  1.1800 387.470  10.319  377.427  14.862  396.819  14.339  87.429  1.7222 89.649  1.6205 -2.220505      2.364737  
1 1 1 2   -4  15 o 21.480  1.3831 22.872   2.9168  24.136   3.8510  21.173   4.4671  22.036  1.7859 20.582  2.2348 1.453403       2.860724  
1 1 1 2   -4  16 o 177.665 2.3028 1559.43  40.383  1615.87  57.255  1503.55  56.966  180.761 3.2090 174.354 3.3102 6.406937       4.610328  
1 1 1 2   -4  17 o 129.992 1.6950 834.504  21.748  844.009  30.884  825.154  30.631  130.687 2.3942 129.218 2.4016 1.468552       3.391175  
1 1 1 2   -4  18 o 188.736 2.3862 1760.99  44.452  1749.02  63.003  1772.85  62.727  187.928 3.3965 189.212 3.3587 -1.283173      4.776768  
1 1 1 2   -4  19 o 101.478 1.4144 508.622  14.167  552.172  20.505  468.851  19.595  105.694 1.9656 97.388  2.0385 8.306099       2.831766  
1 1 1 2   -4  20 o 92.004  1.3304 418.118  12.082  425.651  17.401  411.106  16.788  92.787  1.9000 91.191  1.8651 1.596130       2.662467  
1 1 1 2   -4  21 o 82.424  1.2513 335.571  10.180  337.824  14.538  333.403  14.260  82.664  1.7818 82.123  1.7592 0.5409470      2.503883  
1 1 1 2   -3  0  o 41.991  0.9113 87.024   3.7768  70.022   5.3406  104.036  5.3419  37.664  1.4366 45.911  1.1788 -8.246719      1.858328  
1 1 1 2   -3  1  o 246.299 3.0837 2996.31  74.968  2981.71  111.213 3008.48  101.494 245.576 4.5881 246.715 4.1678 -1.139313      6.198527  
1 1 1 2   -3  2  o 198.405 2.5853 1944.05  50.628  1940.50  71.601  1947.59  71.598  198.156 3.6608 198.518 3.6540 -0.3618774     5.172332  
1 1 1 2   -3  3  o 129.739 1.6855 830.975  21.584  806.828  28.863  861.606  32.508  127.822 2.2877 132.083 2.4935 -4.260300      3.383994  
1 1 1 2   -3  4  o 255.372 3.0055 3221.85  75.756  2996.25  107.072 3447.98  107.199 246.120 4.4075 264.061 4.1129 -17.94038      6.028493  
1 1 1 2   -3  5  f 242.670 3.8521 2910.22  92.268  2926.69  99.077  2802.62  253.268 243.332 4.1252 237.036 10.825 6.296310       11.58451  
1 1 1 2   -3  6  o 224.445 2.7155 2487.31  60.158  2518.31  85.084  2456.32  85.067  225.788 3.8178 222.989 3.8650 2.798569       5.432650  
1 1 1 2   -3  7  o 64.850  0.9256 207.562  5.9250  224.147  7.4262  178.515  9.8281  67.391  1.1164 60.139  1.6557 7.252064       1.996947  
1 1 1 2   -3  8  o 297.140 3.9121 4361.12  114.738 4337.62  162.261 4384.61  162.267 296.210 5.5499 297.812 5.5202 -1.602570      7.827744  
1 1 1 2   -3  9  o 297.187 5.6986 4368.57  167.159 4179.31  343.408 4427.34  191.360 289.559 12.015 299.080 6.4823 -9.521393      13.65253  
1 1 1 2   -3  10 o 106.154 6.1840 559.583  64.513  524.177  91.151  595.120  91.320  102.346 9.1187 109.189 8.5414 -6.842812      12.49426  
1 1 1 2   -3  11 o 215.926 7.2199 2312.82  153.875 2287.97  217.593 2337.68  217.631 214.198 10.292 216.536 10.183 -2.338089      14.47783  
1 1 1 2   -3  12 o 371.745 4.6161 6838.65  169.376 6730.81  239.559 6946.46  239.510 368.285 6.5901 374.171 6.4852 -5.885742      9.245919  
1 1 1 2   -3  13 o 53.199  0.9685 139.693  5.0853  159.209  6.5061  109.047  8.1527  56.792  1.1606 46.995  1.7576 9.796776       2.106219  
1 1 1 2   -3  14 o 170.547 2.1366 1436.55  35.966  1482.08  51.032  1391.61  50.697  173.167 2.9857 167.792 3.0611 5.375305       4.276067  
1 1 1 2   -3  15 o 18.794  2.3954 17.732   4.3426  17.341   19.868  17.751   4.4502  20.650  7.5190 18.796  2.4575 1.853756       7.910391  
1 1 1 2   -3  16 o 177.771 2.3022 1561.20  40.396  1614.47  57.292  1508.53  56.967  180.694 3.2123 174.655 3.3045 6.038895       4.608543  
1 1 1 2   -3  17 o 83.269  1.1780 342.290  9.6816  345.944  13.913  338.858  13.481  83.699  1.6840 82.839  1.6488 0.8606644      2.356791  
1 1 1 2   -3  18 o 106.479 1.6810 559.945  17.667  536.525  31.127  571.075  21.458  104.143 3.0281 107.514 2.0220 -3.371025      3.641127  
1 1 1 2   -3  19 o 24.353  1.7057 29.442   4.0741  32.003   6.3541  27.655   5.3091  25.306  2.5800 23.538  2.3151 1.767962       3.466443  
1 1 1 2   -3  20 o 159.813 2.1783 1263.14  34.361  1293.75  48.949  1233.39  48.247  161.569 3.0694 157.748 3.0987 3.820755       4.361511  
1 1 1 2   -3  21 o 15.187  3.0002 11.833   4.3378  8.5777   6.3369  14.704   5.9505  13.287  4.2638 16.879  3.6758 -3.591875      5.629504  
1 1 1 2   -3  22 o 69.191  1.2434 236.484  8.4914  232.155  12.027  240.787  11.991  68.522  1.7782 69.787  1.7407 -1.265106      2.488415  
1 1 1 2   -2  0  o 157.498 2.0915 1224.58  32.514  1235.36  45.999  1213.81  45.965  158.166 2.9465 156.780 2.9703 1.386414       4.183819  
1 1 1 2   -2  1  o 59.363  0.7671 173.924  4.4947  166.119  5.5063  189.510  7.7808  58.015  0.9616 61.964  1.2722 -3.948414      1.594714  
1 1 1 2   -2  2  o 490.544 5.9560 11909.36 288.379 12284.88 377.609 11383.83 446.703 497.751 7.6859 478.572 9.4567 19.17859       12.18615  
1 1 1 2   -2  3  o 107.921 1.7376 574.958  18.509  535.891  26.127  614.318  26.225  104.173 2.5410 111.539 2.3821 -7.366806      3.482948  
1 1 1 2   -2  4  o 212.801 2.6666 2236.70  56.010  2295.29  79.227  2178.16  79.193  215.487 3.7249 209.908 3.8223 5.579041       5.337142  
1 1 1 2   -2  5  o 114.937 2.6597 652.484  30.174  653.077  98.517  652.423  31.697  114.204 8.8077 114.927 2.7942 -0.7226868     9.240314  
1 1 1 2   -2  6  o 368.817 4.2983 6723.39  156.474 6866.64  221.326 6580.24  221.249 372.452 6.0204 364.579 6.1483 7.873260       8.605096  
1 1 1 2   -2  7  o 272.681 3.2578 3671.90  87.682  3684.19  124.008 3659.61  123.993 273.051 4.6012 272.137 4.6161 0.9132690      6.517646  
1 1 1 2   -2  8  o 255.205 3.0624 3215.91  77.140  3327.69  109.133 3104.29  109.053 259.540 4.2601 250.668 4.4076 8.872208       6.129869  
1 1 1 2   -2  9  o 318.295 8.5836 5021.10  269.670 4999.45  381.377 5042.76  381.365 316.929 12.192 318.310 12.138 -1.381500      17.20382  
1 1 1 2   -2  10 o 160.062 6.5750 1267.92  103.876 1233.62  146.866 1302.26  146.941 157.362 9.5001 161.735 9.2430 -4.373352      13.25459  
1 1 1 2   -2  11 o 167.488 2.7924 1385.32  46.164  1369.12  65.262  1401.55  65.309  166.451 3.9723 168.414 3.9288 -1.962387      5.586984  
1 1 1 2   -2  12 o 128.670 1.6345 817.307  20.759  835.325  29.463  799.544  29.253  130.062 2.2950 127.245 2.3291 2.817139       3.269859  
1 1 1 2   -2  13 o 82.543  1.1449 336.310  9.3282  330.622  13.288  341.836  13.098  81.834  1.6451 83.211  1.5948 -1.377190      2.291210  
1 1 1 2   -2  14 o 99.052  1.3046 484.332  12.755  450.583  17.915  519.026  18.164  95.524  1.9001 102.525 1.7949 -7.001740      2.613804  
1 1 1 2   -2  15 o 185.924 2.3300 1707.56  42.758  1650.10  60.425  1765.19  60.514  182.679 3.3512 188.954 3.2446 -6.274841      4.664529  
1 1 1 2   -2  16 o 282.046 5.5521 3947.73  154.565 3663.84  321.814 4032.86  176.221 268.931 12.124 284.855 6.2676 -15.92355      13.64785  
1 1 1 2   -2  17 o 233.093 3.1267 2686.57  71.937  2663.83  101.820 2709.24  101.648 231.876 4.4488 233.853 4.4038 -1.976837      6.259814  
1 1 1 2   -2  18 o 83.703  1.2109 345.886  10.004  361.626  14.432  331.327  13.880  85.572  1.7087 81.909  1.7168 3.663475       2.422239  
1 1 1 2   -2  19 o 117.282 1.5809 679.336  18.301  715.470  26.340  645.612  25.446  120.318 2.2179 114.290 2.2557 6.027611       3.163441  
1 1 1 2   -2  20 o 28.109  1.8900 39.226   5.2133  33.327   8.1772  43.266   6.7669  25.724  3.2964 29.484  2.3446 -3.760447      4.045190  
1 1 1 2   -2  21 o 34.460  1.5933 58.678   5.4193  64.842   9.3310  55.540   6.6571  36.090  2.6377 33.452  2.0257 2.637947       3.325832  
1 1 1 2   -2  22 o 36.429  2.0658 65.855   7.3974  72.760   9.1061  52.456   12.685  38.259  2.4239 32.205  4.0821 6.053577       4.747500  
1 1 1 2   -1  0  o 74.553  1.3040 274.331  9.5956  283.972  13.571  264.692  13.570  75.847  1.8127 73.227  1.8775 2.620644       2.609743  
1 1 1 2   -1  1  o 296.286 4.0171 4336.94  117.478 4428.06  158.094 4224.59  175.551 299.260 5.3522 292.224 6.0863 7.036438       8.104898  
1 1 1 2   -1  2  o 135.026 1.8719 900.000  24.947  862.400  35.261  937.682  35.300  132.158 2.7032 137.809 2.5952 -5.650299      3.747266  
1 1 1 2   -1  3  o 279.978 3.9021 3873.19  107.833 4197.70  197.611 3735.59  128.680 291.105 6.8775 274.881 4.7428 16.22372       8.354265  
1 1 1 2   -1  4  o 106.405 1.3553 558.864  14.235  508.855  21.514  597.806  18.984  101.519 2.1470 110.043 1.7478 -8.524391      2.768494  
1 1 1 2   -1  5  o 112.360 1.3549 623.193  15.026  590.125  21.205  656.543  21.295  109.326 1.9651 115.316 1.8709 -5.990662      2.713318  
1 1 1 2   -1  6  o 132.074 2.2135 861.313  28.855  794.565  114.507 865.839  29.818  125.988 9.2733 132.419 2.2813 -6.430786      9.549792  
1 1 1 2   -1  7  o 274.822 3.2797 3730.24  88.966  3767.39  125.835 3693.12  125.799 276.083 4.6177 273.344 4.6626 2.738708       6.562293  
1 1 1 2   -1  8  o 207.388 3.3588 2123.97  68.754  2155.53  97.306  2092.51  97.159  208.857 4.7201 205.778 4.7836 3.079575       6.720289  
1 1 1 2   -1  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -1  10 o 148.475 6.5250 1091.07  95.624  1113.22  135.226 1068.92  135.238 149.483 9.2099 146.437 9.4063 3.046021       13.16438  
1 1 1 2   -1  11 o 77.565  1.2477 296.947  9.5521  313.136  12.083  269.974  15.597  79.649  1.5370 73.950  2.1368 5.698479       2.632176  
1 1 1 2   -1  12 o 213.110 2.6146 2242.81  54.998  2158.32  77.781  2327.28  77.777  208.985 3.7707 217.022 3.6309 -8.036621      5.234666  
1 1 1 2   -1  13 o 161.795 2.0184 1292.57  32.233  1258.23  45.665  1326.67  45.505  159.589 2.8990 163.877 2.8133 -4.287842      4.039642  
1 1 1 2   -1  14 o 132.592 1.7241 868.027  22.563  862.986  31.936  873.050  31.883  132.177 2.4479 132.946 2.4297 -0.7693634     3.448973  
1 1 1 2   -1  15 o 161.036 2.0412 1280.71  32.444  1227.95  45.879  1333.49  45.887  157.625 2.9489 164.268 2.8301 -6.643265      4.087204  
1 1 1 2   -1  16 o 101.592 1.3871 509.527  13.910  503.889  19.638  515.203  19.704  101.011 1.9697 102.139 1.9545 -1.128281      2.774847  
1 1 1 2   -1  17 o 136.513 6.5722 927.212  88.556  938.007  125.280 916.432  125.193 136.435 9.3596 134.818 9.4680 1.616791       13.31336  
1 1 1 2   -1  18 o 145.052 1.8942 1039.16  27.120  995.043  38.341  1083.33  38.366  141.881 2.7378 148.051 2.6255 -6.170044      3.793230  
1 1 1 2   -1  19 o 76.602  1.3011 289.720  9.8379  283.592  14.197  295.380  13.645  75.769  1.8983 77.332  1.7876 -1.562836      2.607557  
1 1 1 2   -1  20 o 52.463  6.4696 139.770  32.792  136.024  46.902  143.353  45.865  50.911  9.6875 52.435  9.1974 -1.524212      13.35815  
1 1 1 2   -1  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   -1  22 o 53.167  6.5320 144.626  33.558  135.683  47.405  153.609  47.511  50.385  9.8851 53.920  9.2606 -3.535004      13.54532  
1 1 1 2   -1  23 o 91.966  1.4863 417.966  13.491  411.898  19.170  423.920  18.991  91.232  2.1288 92.560  2.0787 -1.327690      2.975374  
1 1 1 2   0   0  o 98.045  1.6370 474.492  15.842  454.963  22.404  494.023  22.404  95.998  2.3645 100.035 2.2691 -4.037354      3.277079  
1 1 1 2   0   1  o 100.372 2.2609 497.350  22.399  514.992  31.678  479.709  31.676  102.121 3.1427 98.559  3.2562 3.562500       4.525398  
1 1 1 2   0   2  o 54.631  0.6180 147.297  3.3324  142.829  4.7057  151.792  4.7199  53.796  0.8862 55.458  0.8623 -1.662357      1.236477  
1 1 1 2   0   3  f 296.332 3.5299 4337.48  103.245 4128.97  145.982 4546.16  146.040 288.984 5.1179 303.258 4.8789 -14.27338      7.070858  
1 1 1 2   0   4  o 377.888 4.7898 7060.83  178.654 7162.76  252.668 6958.91  252.642 380.255 6.7320 374.784 6.8295 5.470520       9.589695  
1 1 1 2   0   5  o 278.163 3.6449 3824.05  100.073 3680.59  141.502 3967.59  141.548 272.685 5.2573 283.148 5.0648 -10.46222      7.300098  
1 1 1 2   0   6  f 217.394 2.6287 2334.28  56.406  2278.32  79.762  2390.27  79.779  214.680 3.7642 219.900 3.6756 -5.219955      5.261116  
1 1 1 2   0   7  o 37.448  6.2669 71.327   22.346  61.405   31.693  81.135   31.511  34.532  9.1514 39.688  8.3104 -5.156189      12.36164  
1 1 1 2   0   8  o 265.847 7.8624 3501.43  206.311 3495.92  291.761 3506.94  291.774 265.121 11.149 265.542 11.132 -0.4206848     15.75542  
1 1 1 2   0   9  o 339.926 8.9066 5727.49  298.833 5782.59  422.616 5672.40  422.610 340.824 12.563 337.533 12.685 3.291443       17.85305  
1 1 1 2   0   10 o 157.513 2.2971 1224.81  35.713  1183.53  61.168  1246.15  43.988  154.789 4.0036 158.868 2.8052 -4.078995      4.888593  
1 1 1 2   0   11 o 417.711 4.8631 8624.15  200.506 8510.23  283.562 8738.07  283.554 414.619 6.9289 420.150 6.8375 -5.530426      9.734546  
1 1 1 2   0   12 o 270.118 3.1181 3603.75  83.134  3848.52  120.306 3380.05  115.012 279.034 4.3682 261.492 4.4561 17.54196       6.239964  
1 1 1 2   0   13 o 164.266 2.0332 1332.29  32.966  1338.53  46.696  1326.08  46.547  164.614 2.8740 163.846 2.8782 0.7674408      4.067422  
1 1 1 2   0   14 o 112.708 1.5092 627.120  16.789  608.141  23.860  645.732  23.628  110.970 2.1783 114.352 2.0934 -3.381195      3.021208  
1 1 1 2   0   15 o 90.088  1.4602 400.667  12.984  426.023  22.970  388.762  15.739  92.863  2.5060 88.731  1.7971 4.132004       3.083774  
1 1 1 2   0   16 o 224.652 2.7610 2494.00  61.221  2417.94  86.578  2570.07  86.582  221.044 3.9682 227.910 3.8488 -6.866043      5.528136  
1 1 1 2   0   17 o 155.896 2.0328 1200.35  31.279  1164.52  44.369  1235.75  44.103  153.490 2.9287 158.123 2.8258 -4.633087      4.069664  
1 1 1 2   0   18 o 138.039 2.7565 941.838  37.557  941.838  37.557  0.0000   0.0000  138.039 2.7565 ?       ?      0.000000       2.756476  
1 1 1 2   0   19 f 93.177  6.5224 434.822  59.607  466.469  84.664  403.717  83.935  95.896  9.0517 88.967  9.7163 6.929497       13.27935  
1 1 1 2   0   20 o 50.067  6.5999 127.424  31.820  114.861  45.289  139.671  44.717  46.672  10.123 51.852  9.0675 -5.179832      13.58998  
1 1 1 2   0   21 o 67.640  1.3648 225.965  9.1119  237.872  13.186  215.085  12.605  69.373  1.9258 65.966  1.9360 3.406967       2.730684  
1 1 1 2   0   22 o 91.104  1.4479 410.056  13.020  441.983  19.749  385.513  17.315  94.526  2.1167 88.293  1.9869 6.232903       2.903150  
1 1 1 2   0   23 o 49.348  1.5847 120.354  7.7187  105.868  10.660  136.322  11.192  46.184  2.3461 52.487  2.1603 -6.302818      3.189164  
1 1 1 2   1   0  o 10.660  0.3833 5.6084   0.4033  6.1777   1.6650  5.5729   0.4157  11.078  1.5664 10.626  0.3963 0.4512873      1.615807  
1 1 1 2   1   1  o 306.140 4.4650 4631.03  134.920 4479.00  190.777 4783.16  190.835 300.875 6.4240 310.948 6.2178 -10.07309      8.940291  
1 1 1 2   1   2  o 198.786 2.4031 1950.88  47.150  1992.93  66.690  1908.85  66.671  200.882 3.3634 196.596 3.4358 4.285812       4.808063  
1 1 1 2   1   3  o 217.047 2.7566 2326.11  59.056  2313.92  79.802  2340.86  87.807  216.432 3.7356 217.668 4.0870 -1.236389      5.536965  
1 1 1 2   1   4  o 164.161 2.0975 1330.43  33.986  1274.77  45.687  1399.38  50.853  160.667 2.8809 168.330 3.0607 -7.662689      4.203306  
1 1 1 2   1   5  o 174.588 2.1292 1504.96  36.692  1486.75  51.851  1523.23  51.929  173.490 3.0280 175.607 2.9959 -2.117065      4.259604  
1 1 1 2   1   6  o 166.021 2.2448 1361.09  36.786  1343.42  62.754  1370.34  45.405  164.844 3.8569 166.559 2.7619 -1.714890      4.743794  
1 1 1 2   1   7  o 240.793 7.5329 2878.57  179.037 2836.63  253.176 2920.53  253.216 238.296 10.764 241.837 10.608 -3.540604      15.11271  
1 1 1 2   1   8  o 147.299 6.5056 1074.01  94.585  1079.09  133.759 1068.93  133.768 147.136 9.2574 146.432 9.3035 0.7043915      13.12458  
1 1 1 2   1   9  o 389.481 4.5342 7495.24  174.309 7480.67  246.516 7509.81  246.503 388.872 6.4225 389.631 6.4097 -0.7585144     9.073734  
1 1 1 2   1   10 o 306.892 4.0427 4652.34  122.460 4622.83  173.184 4681.85  173.184 305.775 5.7382 307.725 5.7018 -1.949615      8.089321  
1 1 1 2   1   11 o 186.449 2.2706 1716.24  41.786  1696.55  59.112  1735.91  59.076  185.344 3.2312 187.483 3.1924 -2.139053      4.542263  
1 1 1 2   1   12 o 173.581 2.1785 1487.51  37.324  1455.55  52.777  1519.49  52.790  171.675 3.1146 175.408 3.0491 -3.732910      4.358653  
1 1 1 2   1   13 o 207.816 2.5641 2132.76  52.595  2100.33  74.377  2165.20  74.385  206.161 3.6551 209.324 3.6003 -3.163223      5.130466  
1 1 1 2   1   14 o 43.701  1.0513 94.263   4.5348  104.341  6.6563  85.534   6.1949  45.974  1.4669 41.625  1.5078 4.349449       2.103611  
1 1 1 2   1   15 o 151.959 1.9214 1140.27  28.819  1151.65  40.844  1129.00  40.669  152.672 2.7104 151.162 2.7258 1.509827       3.843972  
1 1 1 2   1   16 o 229.607 2.8211 2605.34  63.935  2598.28  90.470  2612.39  90.366  229.138 4.0001 229.762 3.9847 -0.6233673     5.646122  
1 1 1 2   1   17 o 107.836 1.7204 574.206  18.311  572.573  22.642  577.292  31.131  107.667 2.1306 108.071 2.9184 -0.4035797     3.613423  
1 1 1 2   1   18 o 196.355 10.084 1945.53  194.781 2007.51  275.406 1883.51  275.518 197.348 14.234 190.833 14.742 6.514954       20.49213  
1 1 1 2   1   19 o 61.518  2.2397 186.977  13.600  147.780  74.416  188.331  13.833  52.647  14.057 61.739  2.2699 -9.092426      14.23873  
1 1 1 2   1   20 o 101.140 1.5037 505.150  15.011  540.350  22.231  475.649  20.352  104.571 2.1539 98.113  2.1016 6.457161       3.009279  
1 1 1 2   1   21 o 141.719 1.9041 992.513  26.635  982.232  37.954  1002.49  37.387  140.884 2.7294 142.339 2.6611 -1.454880      3.811959  
1 1 1 2   1   22 o 52.486  1.6471 136.133  8.5330  120.260  12.596  149.595  11.600  49.215  2.6023 54.995  2.1370 -5.780598      3.367298  
1 1 1 2   1   23 o 40.793  1.7620 82.268   7.0948  85.622   10.894  79.797   9.3494  41.485  2.6747 40.078  2.3740 1.406712       3.576307  
1 1 1 2   1   24 o 63.595  1.5716 199.916  9.8650  189.545  15.244  207.389  12.940  61.848  2.4971 64.739  2.0250 -2.890480      3.215004  
1 1 1 2   2   0  o 137.300 1.6992 930.522  23.027  905.092  32.552  955.995  32.579  135.397 2.4358 139.153 2.3720 -3.756775      3.399868  
1 1 1 2   2   1  o 189.977 2.8007 1782.07  52.516  1783.78  67.125  1779.39  84.320  190.038 3.5786 189.758 4.5019 0.2794647      5.750963  
1 1 1 2   2   2  o 276.566 3.3636 3777.60  91.820  3721.38  129.852 3833.82  129.854 274.398 4.7944 278.518 4.7236 -4.120667      6.730392  
1 1 1 2   2   3  o 417.607 4.7851 8619.95  197.237 8538.00  278.928 8701.89  278.943 415.291 6.8047 419.271 6.7404 -3.979095      9.577931  
1 1 1 2   2   4  o 207.969 2.6940 2135.66  55.300  2069.78  78.139  2201.76  78.273  204.677 3.8678 211.109 3.7564 -6.431702      5.391699  
1 1 1 2   2   5  f 148.510 1.8762 1088.81  27.502  1087.32  36.912  1090.68  41.234  148.389 2.5202 148.608 2.8111 -0.2189331     3.775416  
1 1 1 2   2   6  o 69.279  0.8662 236.887  5.9234  271.123  8.5035  204.614  8.2560  74.114  1.1624 64.383  1.2992 9.730217       1.743291  
1 1 1 2   2   7  o 178.730 6.7294 1584.74  118.716 1568.88  167.890 1600.59  167.889 177.098 9.6409 178.908 9.5418 -1.810776      13.56440  
1 1 1 2   2   8  o 264.750 4.1657 3464.13  108.857 3460.57  153.827 3467.70  154.067 264.425 5.8938 264.697 5.8969 -0.2718811     8.337327  
1 1 1 2   2   9  o 428.181 6.6388 9072.21  280.578 9154.93  296.466 8361.90  868.731 430.067 6.9840 405.309 21.795 24.75879       22.88700  
1 1 1 2   2   10 o 314.782 3.7096 4893.91  115.257 4967.26  163.008 4820.59  162.987 317.013 5.2095 312.291 5.2876 4.722626       7.422812  
1 1 1 2   2   11 o 191.009 2.2715 1801.13  42.826  1805.03  60.568  1797.23  60.561  191.186 3.2096 190.772 3.2162 0.4138184      4.543768  
1 1 1 2   2   12 o 86.285  1.1072 367.463  9.4300  372.771  13.306  362.106  13.367  86.903  1.5512 85.650  1.5811 1.252419       2.214976  
1 1 1 2   2   13 o 195.470 2.4242 1886.66  46.771  1868.88  66.102  1904.47  66.186  194.495 3.4433 196.340 3.4153 -1.844833      4.849769  
1 1 1 2   2   14 o 123.412 1.7966 751.947  21.885  759.955  27.204  737.260  36.843  124.055 2.2217 122.157 3.0556 1.898514       3.777952  
1 1 1 2   2   15 o 133.594 1.8038 881.225  23.785  834.147  33.474  929.231  33.803  129.942 2.6099 137.154 2.4970 -7.212143      3.611999  
1 1 1 2   2   16 o 82.104  1.4764 332.805  11.964  356.156  15.062  292.878  19.695  84.928  1.7968 76.992  2.5917 7.936005       3.153636  
1 1 1 2   2   17 o 172.055 6.7633 1473.11  114.858 1432.87  162.352 1513.43  162.515 168.658 9.7947 173.441 9.5296 -4.783386      13.66565  
1 1 1 2   2   18 o 214.798 3.5059 2282.45  74.329  2329.14  105.270 2236.02  104.965 216.734 4.9209 212.340 5.0082 4.394226       7.021172  
1 1 1 2   2   19 o 308.687 5.0056 4728.04  152.515 4702.30  365.948 4733.45  167.781 303.838 12.202 308.690 5.5066 -4.851288      13.38731  
1 1 1 2   2   20 o 118.770 1.6503 696.661  19.346  679.508  27.469  713.543  27.251  117.255 2.3734 120.161 2.2977 -2.906006      3.303390  
1 1 1 2   2   21 o 79.582  1.4106 312.769  11.080  301.775  16.352  322.101  15.066  78.138  2.1202 80.739  1.8905 -2.601044      2.840656  
1 1 1 2   2   22 o 105.178 1.6899 546.659  17.544  528.048  26.143  561.909  23.664  103.286 2.5643 106.582 2.2494 -3.296562      3.411099  
1 1 1 2   2   23 o 95.672  1.5685 452.341  14.812  446.029  21.827  457.728  20.166  94.925  2.3296 96.186  2.1241 -1.260963      3.152566  
1 1 1 2   2   24 o 79.890  1.5511 315.454  12.231  315.778  18.341  315.195  16.414  79.857  2.3269 79.810  2.0836 0.4739380E-01  3.123414  
1 1 1 2   3   0  o 156.559 1.9016 1209.98  29.386  1217.80  41.562  1202.16  41.553  157.042 2.6813 156.030 2.6981 1.012009       3.803851  
1 1 1 2   3   1  o 233.439 2.7985 2690.86  64.480  2626.81  91.172  2754.95  91.206  230.578 4.0060 236.141 3.9131 -5.562805      5.599998  
1 1 1 2   3   2  f 88.385  1.7861 385.618  15.581  375.148  19.299  405.223  26.408  87.171  2.2430 90.587  2.9534 -3.415375      3.708617  
1 1 1 2   3   3  o 194.535 2.1503 1868.28  41.288  1819.29  58.371  1917.34  58.410  191.935 3.0811 197.042 3.0032 -5.107452      4.302642  
1 1 1 2   3   4  o 258.342 3.3484 3296.62  85.381  3274.72  120.736 3318.54  120.758 257.369 4.7528 259.088 4.7221 -1.719086      6.699772  
1 1 1 2   3   5  o 291.167 3.4007 4188.45  97.734  4071.74  138.205 4305.19  138.229 286.920 4.8801 295.048 4.7465 -8.127899      6.807700  
1 1 1 2   3   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   3   7  f 316.922 8.5897 5000.59  268.697 5046.16  380.007 4955.02  379.984 316.982 12.146 314.056 12.258 2.926300       17.25633  
1 1 1 2   3   8  o 189.622 2.4240 1775.48  45.369  1776.51  61.248  1774.23  67.535  189.634 3.2722 189.492 3.6108 0.1422577      4.872920  
1 1 1 2   3   9  o 217.709 2.6589 2340.21  57.135  2349.12  80.811  2331.30  80.792  218.074 3.7543 217.245 3.7678 0.8294220      5.318973  
1 1 1 2   3   10 o 227.750 2.7417 2560.99  61.633  2671.94  87.215  2450.31  87.108  232.586 3.7990 222.723 3.9624 9.863022       5.489409  
1 1 1 2   3   11 o 282.704 3.7234 3947.53  103.897 3951.10  146.931 3943.97  146.933 282.716 5.2654 282.460 5.2702 0.2557373      7.449800  
1 1 1 2   3   12 o 190.353 2.2806 1788.85  42.848  1820.36  61.477  1759.08  59.753  191.988 3.2442 188.731 3.2077 3.257751       4.562210  
1 1 1 2   3   13 o 315.059 3.7306 4904.46  116.013 4973.22  164.095 4835.73  164.040 317.080 5.2432 312.657 5.3156 4.423615       7.466322  
1 1 1 2   3   14 o 181.890 2.2913 1633.71  41.135  1639.72  58.207  1627.70  58.142  182.171 3.2371 181.501 3.2455 0.6695557      4.583891  
1 1 1 2   3   15 o 288.152 5.4289 4115.09  154.408 4309.51  218.508 3921.18  218.223 294.311 7.5219 280.628 7.8784 13.68259       10.89256  
1 1 1 2   3   16 o 123.494 6.3824 759.813  77.531  782.734  108.986 736.330  110.315 124.799 8.9061 120.921 9.3144 3.878052       12.88708  
1 1 1 2   3   17 o 164.468 2.3476 1336.29  38.111  1322.43  47.532  1361.24  63.772  163.566 2.9441 165.850 3.8957 -2.284454      4.883044  
1 1 1 2   3   18 o 213.349 2.9992 2250.31  63.158  2255.41  79.276  2241.44  104.498 213.484 3.7622 212.604 4.9797 0.8805695      6.241137  
1 1 1 2   3   19 o 119.572 1.7483 706.062  20.634  718.042  29.886  695.149  28.523  120.540 2.5119 118.608 2.4364 1.932510       3.499387  
1 1 1 2   3   20 o 118.895 6.4543 706.763  75.460  714.003  107.337 699.688  106.106 118.712 9.2332 117.513 9.2219 1.199310       13.04975  
1 1 1 2   3   21 o 173.365 2.2690 1485.68  38.827  1552.99  55.518  1421.24  54.320  177.113 3.1758 169.422 3.2483 7.691711       4.542790  
1 1 1 2   3   22 o 149.930 2.0273 1111.29  30.001  1207.39  43.360  1023.03  41.554  156.155 2.8132 143.719 2.9293 12.43555       4.061369  
1 1 1 2   3   23 o 66.345  1.5353 217.503  10.054  221.610  15.001  214.154  13.548  66.918  2.2711 65.797  2.0861 1.121170       3.083740  
1 1 1 2   3   24 o 20.819  3.2403 22.027   6.4419  20.355   10.640  22.995   8.0939  19.803  5.3270 21.140  4.0261 -1.336300      6.677316  
1 1 1 2   4   0  o 38.565  0.4577 73.400   1.7421  73.235   1.7446  130.620  32.448  38.521  0.4588 50.917  6.6127 -12.39520      6.628554  
1 1 1 2   4   1  o 388.294 4.5158 7453.68  173.074 7432.05  244.764 7475.30  244.763 387.395 6.4012 388.524 6.3825 -1.129364      9.039480  
1 1 1 2   4   2  o 318.446 3.7409 5010.27  117.584 4920.60  166.281 5099.96  166.297 315.400 5.3413 321.110 5.2468 -5.709808      7.487245  
1 1 1 2   4   3  o 107.197 1.2214 567.183  12.923  531.875  18.238  602.788  18.315  103.800 1.7801 110.505 1.6791 -6.704727      2.447073  
1 1 1 2   4   4  o 271.240 3.2928 3634.27  88.156  3503.42  130.593 3743.81  119.487 266.153 4.9711 275.197 4.3989 -9.043518      6.637961  
1 1 1 2   4   5  o 292.191 8.1833 4242.37  236.010 4328.73  333.143 4155.36  334.398 294.184 11.473 288.136 11.758 6.047699       16.42808  
1 1 1 2   4   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   4   7  o 242.623 3.0944 2908.49  74.103  2849.96  107.567 2961.36  102.232 240.010 4.5407 244.695 4.2328 -4.685410      6.207599  
1 1 1 2   4   8  f 154.463 1.9437 1177.90  29.634  1141.12  41.871  1214.81  41.947  152.003 2.7908 156.837 2.7097 -4.834106      3.889875  
1 1 1 2   4   9  o 172.178 2.1565 1463.50  36.649  1398.98  54.660  1516.20  49.398  168.304 3.2903 175.229 2.8561 -6.924866      4.356979  
1 1 1 2   4   10 o 223.468 3.6447 2466.45  80.390  2610.85  229.562 2446.26  85.825  229.316 10.142 222.539 3.9073 6.776947       10.86882  
1 1 1 2   4   11 o 150.063 1.9640 1111.60  29.090  1085.66  41.134  1137.55  41.143  148.284 2.8105 151.788 2.7462 -3.503891      3.929407  
1 1 1 2   4   12 o 389.287 4.5378 7489.68  174.361 7667.82  246.620 7311.64  246.546 393.621 6.3477 384.345 6.4990 9.276459       9.084580  
1 1 1 2   4   13 o 112.417 1.4733 623.799  16.347  620.791  23.112  626.811  23.125  112.136 2.0882 112.679 2.0793 -0.5425949     2.946832  
1 1 1 2   4   14 o 232.159 3.1964 2662.87  73.246  2670.97  91.764  2648.65  121.592 232.440 3.9997 231.314 5.3256 1.125656       6.660309  
1 1 1 2   4   15 o 75.528  6.2796 284.991  46.389  293.265  65.737  276.783  65.472  76.165  8.9128 73.912  9.1716 2.252953       12.78890  
1 1 1 2   4   16 o 221.629 2.7519 2427.21  60.200  2435.62  85.112  2418.79  85.159  221.873 3.8864 221.103 3.9022 0.7705231      5.507374  
1 1 1 2   4   17 o 188.916 2.3022 1763.04  42.928  1783.83  60.545  1742.02  60.876  189.937 3.2295 187.692 3.2860 2.245499       4.607323  
1 1 1 2   4   18 o 92.899  1.4632 426.100  13.417  430.626  18.957  421.558  18.991  93.372  2.0569 92.383  2.0827 0.9893188      2.927209  
1 1 1 2   4   19 f 111.948 1.5968 618.827  17.644  610.882  24.867  626.882  25.039  111.197 2.2657 112.644 2.2521 -1.447601      3.194559  
1 1 1 2   4   20 o 137.519 1.9609 934.178  26.617  914.446  37.160  954.966  38.142  135.997 2.7683 138.976 2.7806 -2.979248      3.923650  
1 1 1 2   4   21 o 72.586  2.2186 260.400  15.895  269.077  16.534  154.660  57.720  73.783  2.2704 54.076  11.183 19.70666       11.41124  
1 1 1 2   4   22 o 105.158 1.8873 546.508  19.589  601.529  38.448  527.218  22.765  110.132 3.5369 103.257 2.2337 6.875008       4.183209  
1 1 1 2   4   23 o 136.663 2.3753 924.441  32.040  951.918  39.480  871.424  54.840  138.582 2.8862 132.275 4.2003 6.307663       5.096383  
1 1 1 2   4   24 o 69.441  6.3930 245.744  43.326  258.522  61.788  233.384  60.770  70.130  9.1438 66.403  9.5465 3.727089       13.21907  
1 1 1 2   4   25 o 54.343  1.9392 146.129  10.402  139.146  20.627  148.510  12.045  52.659  3.9985 54.761  2.2285 -2.102512      4.577564  
1 1 1 2   5   0  o 194.351 2.3529 1865.37  45.136  1739.79  63.800  1991.19  63.864  187.624 3.4451 200.741 3.2232 -13.11630      4.717774  
1 1 1 2   5   1  o 259.293 3.0813 3321.55  78.860  3227.96  111.508 3415.19  111.542 255.473 4.4221 262.793 4.3002 -7.320129      6.168190  
1 1 1 2   5   2  o 123.084 1.5041 747.835  18.273  708.630  25.809  787.244  25.876  119.799 2.1827 126.272 2.0762 -6.473305      3.012388  
1 1 1 2   5   3  o 263.207 3.1198 3422.29  81.052  3286.56  114.599 3558.16  114.651 257.801 4.5036 268.262 4.3300 -10.46106      6.247523  
1 1 1 2   5   4  o 28.752  5.9667 42.468   16.378  38.666   23.211  46.238   23.114  27.630  8.0314 29.957  7.7562 -2.327076      11.16516  
1 1 1 2   5   5  o 157.929 6.5005 1236.90  101.331 1267.55  143.314 1206.26  143.292 159.240 9.1567 155.278 9.3935 3.961884       13.11798  
1 1 1 2   5   6  o 92.309  1.3580 420.623  12.373  408.322  15.136  445.404  21.483  90.944  1.6862 94.969  2.2918 -4.025536      2.845271  
1 1 1 2   5   7  o 134.916 1.6611 898.608  22.120  898.041  31.546  899.157  31.026  134.850 2.3701 134.936 2.3295 -0.8526611E-01 3.323258  
1 1 1 2   5   8  o 164.370 2.1962 1333.96  35.631  1324.47  50.451  1343.41  50.327  163.747 3.1215 164.914 3.0918 -1.167694      4.393543  
1 1 1 2   5   9  o 125.031 1.6721 771.656  20.636  795.942  27.670  741.220  30.976  126.975 2.2078 122.525 2.5613 4.449615       3.381556  
1 1 1 2   5   10 f 206.531 2.5331 2105.92  51.637  2086.32  73.005  2125.53  73.048  205.528 3.5987 207.451 3.5674 -1.923676      5.067287  
1 1 1 2   5   11 o 310.434 5.7745 4765.64  176.936 0.0000   0.0000  4765.64  176.936 ?       ?      310.434 5.7745 0.000000       5.774489  
1 1 1 2   5   12 o 360.320 4.4700 6416.13  158.976 6092.65  243.208 6657.46  210.068 350.768 7.0247 366.863 5.8013 -16.09457      9.110464  
1 1 1 2   5   13 o 177.837 2.5114 1561.58  44.084  1557.96  54.843  1568.20  74.106  177.606 3.1285 178.133 4.2148 -0.5264435     5.248964  
1 1 1 2   5   14 o 202.985 7.0041 2043.90  140.330 2201.19  198.732 1887.48  198.182 210.183 9.5794 194.203 10.377 15.98022       14.12219  
1 1 1 2   5   15 o 134.276 1.8010 890.212  23.870  875.067  33.721  905.422  33.794  133.099 2.5668 135.389 2.5288 -2.290588      3.603295  
1 1 1 2   5   16 o 270.806 3.4492 3626.46  92.195  3632.80  130.426 3620.13  130.340 270.774 4.8800 270.300 4.8854 0.4737549      6.905190  
1 1 1 2   5   17 o 36.922  1.8623 67.494   6.7649  68.101   9.6172  66.899   9.5175  37.029  2.6489 36.699  2.6452 0.3296089      3.743471  
1 1 1 2   5   18 o 162.148 2.1450 1298.75  34.331  1291.79  48.341  1305.83  48.763  161.640 3.0299 162.514 3.0400 -0.8746185     4.292062  
1 1 1 2   5   19 o 156.224 2.0718 1205.58  31.947  1225.38  45.179  1185.78  45.181  157.432 2.9074 154.863 2.9558 2.569092       4.146053  
1 1 1 2   5   20 o 81.228  1.5549 325.812  12.466  341.364  18.064  311.669  17.226  83.120  2.2018 79.423  2.1974 3.697266       3.110686  
1 1 1 2   5   21 o 124.256 1.7759 762.649  21.780  745.639  30.439  780.496  31.178  122.807 2.5112 125.644 2.5141 -2.837479      3.553377  
1 1 1 2   5   22 o 42.963  3.1862 91.937   13.415  94.634   18.028  88.591   20.081  43.438  4.2596 41.893  4.9522 1.545219       6.532105  
1 1 1 2   5   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   5   24 o 42.304  2.4928 88.962   10.363  88.137   13.268  90.253   16.594  42.005  3.2249 42.372  4.0156 -0.3664055     5.150202  
1 1 1 2   5   25 f 64.324  1.7117 204.605  10.867  216.778  16.669  195.606  14.332  66.128  2.5538 62.841  2.3107 3.286770       3.443962  
1 1 1 2   6   0  o 73.003  12.471 274.711  86.633  274.711  86.633  0.0000   0.0000  73.003  12.471 ?       ?      0.000000       12.47071  
1 1 1 2   6   1  o 183.962 2.3909 1671.34  43.413  1671.97  61.393  1670.72  61.398  183.931 3.3817 183.862 3.3832 0.6866455E-01  4.783481  
1 1 1 2   6   2  o 422.567 4.8909 8838.46  203.994 8739.58  288.484 8937.36  288.498 419.560 6.9662 424.309 6.8885 -4.749054      9.796906  
1 1 1 2   6   3  o 385.963 9.6666 7435.69  368.257 7351.22  520.781 7520.18  520.808 381.519 13.829 385.979 13.670 -4.460144      19.44565  
1 1 1 2   6   4  o 41.672  6.0087 87.835   24.000  91.198   33.923  84.464   33.960  42.065  8.4635 40.412  8.7660 1.652668       12.18503  
1 1 1 2   6   5  o 241.783 3.6591 2889.97  87.324  2860.93  151.178 2904.51  106.975 240.151 6.3778 242.290 4.4731 -2.138596      7.790072  
1 1 1 2   6   6  o 93.514  1.6588 431.726  15.311  430.341  21.653  433.112  21.653  93.348  2.3501 93.648  2.3425 -0.3002930     3.318186  
1 1 1 2   6   7  o 163.416 1.9895 1318.51  32.090  1357.85  45.411  1279.26  45.353  165.803 2.7748 160.929 2.8552 4.873276       3.981431  
1 1 1 2   6   8  o 347.787 4.2155 5978.28  144.708 6041.83  196.723 5903.36  213.615 349.414 5.7040 345.289 6.2678 4.124603       8.474739  
1 1 1 2   6   9  o 138.072 1.8542 941.054  25.270  915.231  35.711  966.953  35.763  136.148 2.6574 139.944 2.5891 -3.795898      3.710150  
1 1 1 2   6   10 o 121.237 1.5901 725.502  19.028  685.120  28.826  756.683  25.330  117.801 2.4792 123.808 2.0728 -6.006546      3.231516  
1 1 1 2   6   11 f 98.693  1.4270 480.766  13.901  488.699  18.660  470.873  20.838  99.499  1.9000 97.665  2.1616 1.834785       2.877948  
1 1 1 2   6   12 o 258.056 7.6013 3299.45  193.612 3236.92  273.701 3362.08  273.917 255.076 10.871 259.998 10.674 -4.922073      15.23513  
1 1 1 2   6   13 o 90.170  6.1275 404.312  54.212  419.181  76.181  389.057  77.163  91.504  8.5332 88.052  9.0052 3.452293       12.40601  
1 1 1 2   6   14 o 129.783 1.7384 831.531  22.269  852.463  29.975  805.748  33.267  131.391 2.3113 127.729 2.6387 3.661736       3.507882  
1 1 1 2   6   15 o 164.005 2.1000 1328.25  33.994  1369.45  48.150  1287.30  48.000  166.482 2.9302 161.405 3.0129 5.076553       4.202850  
1 1 1 2   6   16 o 37.364  1.9386 69.128   7.1251  64.879   10.126  73.295   10.028  36.120  2.8636 38.423  2.6605 -2.303162      3.908778  
1 1 1 2   6   17 o 58.121  1.3907 166.773  7.9780  162.724  10.838  171.561  11.787  57.401  1.9129 58.937  2.0262 -1.535667      2.786502  
1 1 1 2   6   18 o 52.392  1.6272 135.542  8.4148  131.651  11.638  139.804  12.181  51.621  2.2841 53.195  2.3200 -1.573635      3.255692  
1 1 1 2   6   19 o 134.193 1.8678 889.386  24.739  872.490  34.918  906.415  35.056  132.860 2.6627 135.421 2.6226 -2.561493      3.737419  
1 1 1 2   6   20 o 65.129  1.6869 209.481  10.844  212.424  15.386  206.575  15.286  65.562  2.3775 64.653  2.3954 0.9095459      3.374990  
1 1 1 2   6   21 o 148.573 6.6237 1102.87  97.135  1091.67  137.355 1114.08  137.384 146.570 9.5465 148.116 9.4465 -1.546921      13.43025  
1 1 1 2   6   22 o 36.033  7.2355 67.522   24.840  81.481   35.237  53.733   35.021  39.270  9.2442 32.357  9.9755 6.913906       13.60024  
1 1 1 2   6   23 o 111.623 1.7982 615.884  19.812  590.605  27.505  643.146  28.563  109.221 2.5514 113.978 2.5389 -4.756485      3.599376  
1 1 1 2   6   24 o 99.464  1.7513 489.159  17.194  448.766  23.818  533.114  24.846  95.170  2.5355 103.747 2.4263 -8.576294      3.509398  
1 1 1 2   6   25 o 30.273  2.8812 45.891   8.5054  42.822   12.895  48.254   11.316  28.887  4.6831 30.892  3.7905 -2.005430      6.024893  
1 1 1 2   7   0  o 246.116 2.9618 2991.47  71.949  2997.47  101.755 2985.47  101.748 246.278 4.1860 245.784 4.1941 0.4944305      5.925623  
1 1 1 2   7   1  f 118.395 1.9685 692.054  23.004  688.694  23.630  753.047  100.675 118.106 2.0270 122.817 8.3544 -4.711372      8.596811  
1 1 1 2   7   2  f 162.535 9.3583 1320.95  149.499 1377.05  211.480 1264.92  211.368 164.952 13.097 157.865 13.701 7.087723       18.95363  
1 1 1 2   7   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   7   4  o 45.660  0.6880 102.895  3.1008  100.707  4.4344  104.988  4.3377  45.170  0.9946 46.121  0.9529 -0.9504051     1.377388  
1 1 1 2   7   5  o 275.332 3.4355 3746.52  93.363  3674.18  132.023 3818.90  132.048 272.460 4.9092 277.789 4.8160 -5.329224      6.877067  
1 1 1 2   7   6  o 190.246 2.5719 1787.53  48.296  1812.31  68.317  1762.77  68.284  191.492 3.6145 188.854 3.6632 2.639008       5.146188  
1 1 1 2   7   7  o 147.951 1.8650 1080.64  27.235  1022.02  40.782  1127.83  36.590  143.849 2.8723 151.129 2.4529 -7.279251      3.777120  
1 1 1 2   7   8  o 215.795 3.0430 2299.80  64.815  2293.20  86.816  2308.11  97.423  215.425 4.0829 216.090 4.5677 -0.6650696     6.126478  
1 1 1 2   7   9  o 140.182 1.7866 970.024  24.721  974.492  34.973  965.563  34.947  140.490 2.5220 139.845 2.5318 0.6453094      3.573628  
1 1 1 2   7   10 o 74.953  1.0741 277.277  7.9466  277.384  10.892  277.155  11.620  74.965  1.4720 74.933  1.5711 0.3178406E-01  2.152910  
1 1 1 2   7   11 o 265.995 4.2662 3495.94  112.007 3411.50  142.354 3633.17  181.483 262.662 5.4908 270.921 6.7867 -8.259399      8.729773  
1 1 1 2   7   12 o 263.288 7.7733 3435.33  202.008 3633.46  285.762 3237.42  285.602 270.271 10.712 254.994 11.347 15.27626       15.60487  
1 1 1 2   7   13 o 117.616 2.2032 682.981  25.577  683.818  26.390  670.023  103.858 117.686 2.2719 115.759 9.1646 1.927177       9.442039  
1 1 1 2   7   14 f 143.271 2.6375 1013.79  37.298  1044.65  52.743  982.909  52.752  145.384 3.6755 141.016 3.7900 4.368317       5.279513  
1 1 1 2   7   15 o 148.620 1.8880 1090.63  27.696  1101.02  39.085  1080.16  39.251  149.290 2.6525 147.867 2.6894 1.423111       3.777331  
1 1 1 2   7   16 o 132.646 1.8521 868.858  24.250  886.556  34.217  850.999  34.372  133.953 2.5879 131.235 2.6535 2.717606       3.706543  
1 1 1 2   7   17 o 94.000  1.5500 436.275  14.381  440.552  20.899  432.429  19.819  94.435  2.2421 93.564  2.1461 0.8708191      3.103652  
1 1 1 2   7   18 o 100.254 1.6476 496.309  16.304  512.406  22.098  477.079  24.154  101.844 2.1983 98.257  2.4905 3.587509       3.321918  
1 1 1 2   7   19 o 147.080 2.0065 1068.56  29.129  1097.66  41.315  1039.81  41.076  149.005 2.8091 145.019 2.8697 3.985458       4.015741  
1 1 1 2   7   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   7   21 o 66.240  6.4237 221.053  41.471  209.812  58.668  232.281  58.630  63.714  9.6294 67.265  9.0614 -3.551105      13.22246  
1 1 1 2   7   22 o 136.831 2.3639 925.857  31.926  927.682  50.031  924.603  41.465  136.766 3.7062 136.644 3.0744 0.1224060      4.815374  
1 1 1 2   7   23 o 52.423  2.4967 136.035  12.919  133.560  13.424  167.096  47.562  51.870  2.6306 56.553  8.8073 -4.682972      9.191766  
1 1 1 2   7   24 f 42.240  2.1311 88.525   8.8563  82.688   12.523  94.364   12.526  40.689  3.1426 43.514  2.9335 -2.824902      4.299007  
1 1 1 2   7   25 o 139.291 2.3412 961.187  32.188  952.122  40.980  975.785  52.005  138.463 2.9985 139.922 3.7655 -1.458237      4.813538  
1 1 1 2   7   26 o 29.947  7.6969 48.137   22.875  48.653   31.901  47.592   32.818  30.246  9.5521 30.039  9.7099 0.2067280      13.62076  
1 1 1 2   8   0  o 104.140 1.2370 535.274  12.716  558.952  17.990  511.635  17.975  106.413 1.7128 101.809 1.7888 4.604523       2.476547  
1 1 1 2   8   1  o 176.778 6.7084 1547.20  117.053 1482.96  165.474 1611.55  165.603 172.492 9.7591 179.907 9.3581 -7.414307      13.52090  
1 1 1 2   8   2  o 138.981 6.1974 956.169  85.015  1073.94  120.354 838.885  120.105 146.879 8.3361 129.580 9.4558 17.29857       12.60568  
1 1 1 2   8   3  o 290.348 3.4503 4164.98  98.881  4208.46  139.852 4121.52  139.827 291.704 4.8573 288.669 4.9075 3.035278       6.904807  
1 1 1 2   8   4  o 139.936 1.7068 966.688  23.575  960.005  33.356  973.359  33.324  139.431 2.4237 140.398 2.4047 -0.9670563     3.414245  
1 1 1 2   8   5  o 85.496  1.0527 360.779  8.8835  390.075  12.714  332.833  12.418  88.895  1.4490 82.113  1.5321 6.782150       2.108796  
1 1 1 2   8   6  o 197.952 2.6133 1934.99  51.059  2007.39  72.293  1862.93  72.125  201.566 3.6337 194.170 3.7633 7.396057       5.231261  
1 1 1 2   8   7  o 112.624 1.5404 626.104  17.124  634.931  24.288  617.380  24.146  113.405 2.1698 111.826 2.1876 1.578705       3.081230  
1 1 1 2   8   8  o 241.330 3.3676 2876.51  80.217  2866.20  120.339 2884.75  107.614 240.778 5.0635 241.600 4.5127 -0.8219147     6.782623  
1 1 1 2   8   9  o 70.191  1.1705 243.170  8.1097  250.429  11.458  235.884  11.480  71.228  1.6298 69.129  1.6824 2.099808       2.342373  
1 1 1 2   8   10 o 200.028 3.1589 1975.90  62.369  2006.67  87.940  1944.76  88.468  201.518 4.4212 198.379 4.5181 3.138565       6.321404  
1 1 1 2   8   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   8   12 o 268.157 3.2140 3551.54  85.068  3530.59  120.243 3572.54  120.364 267.260 4.5582 268.846 4.5359 -1.585358      6.430506  
1 1 1 2   8   13 o 381.866 4.4425 7209.13  167.445 7036.69  236.735 7381.78  236.871 376.925 6.3632 386.088 6.2157 -9.163452      8.895245  
1 1 1 2   8   14 o 195.127 3.3137 1881.40  63.821  1850.06  67.685  2132.64  191.648 193.477 3.5443 206.838 9.3873 -13.36031      10.03411  
1 1 1 2   8   15 o 286.191 3.5345 4049.56  99.842  3913.14  147.610 4164.62  135.556 281.004 5.3219 290.018 4.7354 -9.013641      7.123702  
1 1 1 2   8   16 o 155.696 2.1998 1197.38  33.807  1156.00  50.459  1231.08  45.539  152.896 3.3435 157.820 2.9234 -4.924118      4.441326  
1 1 1 2   8   17 o 141.634 2.0326 990.836  28.416  930.519  43.926  1034.24  37.263  137.167 3.2445 144.664 2.6096 -7.497116      4.163733  
1 1 1 2   8   18 o 81.764  1.4633 330.089  11.809  324.630  16.556  335.744  16.850  81.066  2.0691 82.442  2.0707 -1.376007      2.927260  
1 1 1 2   8   19 o 33.125  6.9291 56.757   21.927  56.886   30.818  56.625   31.204  33.121  9.1321 33.065  9.2162 0.5528641E-01  12.97438  
1 1 1 2   8   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   8   21 o 154.504 2.1341 1179.66  32.546  1224.75  46.240  1135.39  45.816  157.331 2.9776 151.472 3.0645 5.859634       4.272832  
1 1 1 2   8   22 o 135.389 1.9757 905.900  26.402  904.396  37.363  907.399  37.314  135.181 2.8002 135.406 2.7919 -0.2254181     3.954236  
1 1 1 2   8   23 o 64.115  1.7743 203.175  11.229  207.323  16.320  199.447  15.473  64.714  2.5550 63.479  2.4696 1.234718       3.553407  
1 1 1 2   8   24 o 120.106 2.0329 713.765  24.100  679.762  32.381  755.986  36.083  117.074 2.8022 123.428 2.9618 -6.354225      4.077276  
1 1 1 2   8   25 o 89.325  1.7913 394.681  15.794  366.306  22.302  423.228  22.369  85.940  2.6292 92.405  2.4526 -6.465935      3.595502  
1 1 1 2   8   26 o 69.902  1.9099 241.878  13.178  248.780  19.441  236.011  17.923  70.771  2.7830 68.954  2.6335 1.816910       3.831493  
1 1 1 2   9   0  o 258.224 7.6908 3302.52  196.020 3289.82  277.206 3315.22  277.221 257.262 10.917 258.260 10.875 -0.9984436     15.40925  
1 1 1 2   9   1  o 250.979 3.9670 3111.73  98.274  3220.94  139.027 3002.66  138.933 255.229 5.5187 246.413 5.7123 8.816650       7.942655  
1 1 1 2   9   2  o 294.363 3.5007 4279.73  101.711 4283.14  143.850 4276.32  143.831 294.363 4.9510 294.128 4.9543 0.2350159      7.004132  
1 1 1 2   9   3  o 195.793 2.4040 1892.64  46.459  1908.56  65.720  1876.74  65.686  196.576 3.3871 194.929 3.4140 1.646805       4.809157  
1 1 1 2   9   4  o 126.393 1.7748 788.586  22.141  798.664  31.349  778.555  31.276  127.184 2.4972 125.572 2.5234 1.611916       3.550132  
1 1 1 2   9   5  o 435.359 5.2070 9372.46  223.751 9653.33  304.748 9043.97  329.571 441.486 6.9934 427.136 7.8172 14.34973       10.48887  
1 1 1 2   9   6  f 100.249 1.4650 496.052  14.496  516.212  20.545  476.068  20.455  102.258 2.0355 98.201  2.1104 4.057655       2.932067  
1 1 1 2   9   7  o 284.065 3.3714 3985.45  94.530  3996.67  133.700 3974.24  133.670 284.354 4.7636 283.553 4.7760 0.8002014      6.745557  
1 1 1 2   9   8  o 288.626 3.6846 4114.98  104.967 4150.67  148.524 4079.37  148.369 289.746 5.1933 287.243 5.2331 2.503510       7.372651  
1 1 1 2   9   9  o 399.001 9.8565 7907.08  388.179 7944.38  549.081 7869.82  548.855 398.674 13.954 396.776 14.015 1.897339       19.77648  
1 1 1 2   9   10 o 404.214 9.9115 8117.54  395.445 8352.74  559.501 7882.77  558.988 408.729 13.869 396.914 14.268 11.81519       19.89782  
1 1 1 2   9   11 o 168.353 2.4207 1399.37  40.225  1372.91  56.746  1426.09  57.030  166.717 3.4484 169.918 3.4004 -3.200455      4.842973  
1 1 1 2   9   12 o 128.561 1.7860 815.899  22.664  768.720  31.720  865.104  32.394  124.772 2.5756 132.365 2.4794 -7.593773      3.575108  
1 1 1 2   9   13 o 340.303 4.7460 5727.79  159.413 5554.14  270.615 5820.08  197.275 334.380 8.1993 342.843 5.8297 -8.463440      10.06052  
1 1 1 2   9   14 o 191.960 2.7015 1820.19  51.187  1773.85  85.525  1846.06  63.894  189.341 4.5763 193.272 3.3493 -3.931213      5.671014  
1 1 1 2   9   15 o 147.122 1.9559 1068.86  28.402  1048.55  39.934  1089.65  40.404  145.674 2.7774 148.503 2.7565 -2.829193      3.913033  
1 1 1 2   9   16 o 287.716 4.1340 4098.47  117.399 4102.54  165.890 4094.38  166.164 287.399 5.8479 287.108 5.8635 0.2910156      8.281234  
1 1 1 2   9   17 o 116.865 1.7788 674.472  20.519  687.078  31.143  664.802  27.276  117.902 2.6761 115.994 2.3824 1.908798       3.582930  
1 1 1 2   9   18 o 16.878  5.9446 12.413   12.305  11.765   17.830  13.002   17.003  18.454  7.0415 18.542  6.9198 -0.8870125E-01 9.872511  
1 1 1 2   9   19 o 203.048 10.332 2091.86  206.395 2073.21  294.974 2109.75  288.893 199.078 15.125 201.182 14.649 -2.104187      21.05592  
1 1 1 2   9   20 o 76.344  1.7126 287.866  12.905  294.936  18.428  281.061  18.078  77.247  2.4169 75.407  2.4289 1.839554       3.426537  
1 1 1 2   9   21 o 56.471  1.8797 157.546  10.477  157.860  15.145  157.257  14.509  56.495  2.7159 56.391  2.6067 0.1031990      3.764474  
1 1 1 2   9   22 o 168.513 2.4001 1404.40  39.921  1431.50  58.962  1381.46  54.247  169.925 3.5154 166.975 3.2915 2.949875       4.815813  
1 1 1 2   9   23 o 82.882  1.6799 339.480  13.743  347.585  19.430  331.366  19.441  83.810  2.3487 81.826  2.4072 1.984245       3.363170  
1 1 1 2   9   24 o 94.442  2.5601 442.030  23.865  0.0000   0.0000  442.030  23.865  ?       ?      94.442  2.5601 0.000000       2.560138  
1 1 1 2   9   25 o 125.622 2.0263 781.208  25.125  755.289  35.235  808.021  35.837  123.324 2.8946 127.570 2.8461 -4.245689      4.059409  
1 1 1 2   9   26 o 29.614  7.5110 47.045   21.987  52.597   30.537  41.068   31.685  31.183  9.2533 28.325  9.5560 2.858381       13.30189  
1 1 1 2   10  0  o 114.315 1.4233 645.010  16.059  659.291  22.751  630.828  22.672  115.566 1.9945 113.043 2.0319 2.522675       2.847254  
1 1 1 2   10  1  o 202.164 2.4773 2017.81  49.432  2081.69  70.005  1954.30  69.811  205.300 3.4547 198.915 3.5557 6.385590       4.957580  
1 1 1 2   10  2  o 275.871 3.3017 3758.51  89.903  3837.82  127.163 3679.26  127.120 278.674 4.6231 272.848 4.7202 5.825409       6.607052  
1 1 1 2   10  3  o 69.648  1.4178 239.427  9.7469  135.134  55.277  242.774  9.9020  51.137  11.257 70.133  1.4304 -18.99626      11.34718  
1 1 1 2   10  4  o 125.706 1.6663 779.998  20.674  835.524  25.855  681.531  34.430  130.098 2.0134 117.481 2.9692 12.61729       3.587454  
1 1 1 2   10  5  o 172.614 2.3602 1471.00  40.212  1441.43  56.850  1500.61  56.886  170.837 3.3715 174.311 3.3064 -3.474075      4.722157  
1 1 1 2   10  6  o 87.589  1.3356 378.663  11.546  393.034  16.398  364.532  16.260  89.230  1.8619 85.934  1.9171 3.296844       2.672401  
1 1 1 2   10  7  o 59.239  1.0790 173.203  6.3092  172.472  8.5466  174.077  9.3530  59.112  1.4648 59.386  1.5956 -0.2736168     2.166045  
1 1 1 2   10  8  o 558.831 12.608 15578.01 695.425 15616.72 983.489 15539.30 983.469 556.523 17.904 555.112 17.949 1.411011       25.35222  
1 1 1 2   10  9  o 90.654  6.1188 408.480  54.430  389.047  76.428  428.481  77.536  88.100  8.9116 92.549  8.5856 -4.449081      12.37451  
1 1 1 2   10  10 o 227.774 3.3332 2562.53  74.937  2523.88  105.916 2601.27  106.039 225.955 4.7490 229.398 4.6832 -3.443436      6.669765  
1 1 1 2   10  11 o 354.067 4.7748 6196.79  166.869 6250.34  236.015 6143.27  235.963 355.315 6.7297 352.249 6.7867 3.066040       9.557613  
1 1 1 2   10  12 o 111.575 1.7129 614.542  18.864  587.116  26.420  643.064  26.942  109.042 2.4547 114.121 2.3919 -5.078857      3.427332  
1 1 1 2   10  13 o 178.283 2.2663 1569.52  39.880  1545.72  57.135  1592.13  55.692  176.872 3.2727 179.516 3.1431 -2.643539      4.537587  
1 1 1 2   10  14 o 134.721 1.9856 896.210  26.404  876.053  37.000  917.126  37.690  133.161 2.8151 136.248 2.8026 -3.086472      3.972344  
1 1 1 2   10  15 o 167.692 2.9263 1389.81  48.435  1524.65  157.941 1375.82  50.887  174.282 9.2141 166.831 3.0902 7.450562       9.718543  
1 1 1 2   10  16 o 130.461 2.0788 840.703  26.769  864.887  35.991  810.760  40.048  132.281 2.7565 128.044 3.1687 4.237411       4.199910  
1 1 1 2   10  17 o 66.761  6.1697 223.663  40.196  266.857  57.202  181.529  56.496  72.570  8.1252 59.228  10.022 13.34290       12.90153  
1 1 1 2   10  18 o 92.400  6.2142 427.083  56.345  452.952  79.831  401.404  79.538  94.593  8.6458 88.851  9.2029 5.742401       12.62712  
1 1 1 2   10  19 o 123.293 1.8693 750.869  22.748  766.580  32.455  735.697  31.894  124.522 2.6406 121.987 2.6489 2.534721       3.740221  
1 1 1 2   10  20 o 182.623 2.4311 1648.61  43.822  1665.45  62.870  1632.69  61.115  183.398 3.4731 181.596 3.4096 1.801804       4.867018  
1 1 1 2   10  21 o 120.162 1.8616 713.365  22.079  707.976  31.209  718.766  31.241  119.642 2.6428 120.552 2.6255 -0.9100113     3.725263  
1 1 1 2   10  22 o 52.843  1.9810 138.016  10.332  127.065  14.705  148.692  14.520  50.571  2.9590 54.814  2.6838 -4.243477      3.994778  
1 1 1 2   10  23 f 13.685  4.7448 8.4173   7.8231  4.4151   10.954  12.584   11.177  13.483  5.4065 16.541  5.6748 -3.058530      7.837968  
1 1 1 2   10  24 o 15.465  5.3840 10.822   10.078  -5.0188  15.441  22.579   13.303  13.288  5.8982 20.914  6.0804 -7.626132      8.471068  
1 1 1 2   10  25 o 58.743  6.7597 178.421  38.479  182.161  54.205  174.622  54.633  57.981  9.8223 56.576  10.157 1.405376       14.12925  
1 1 1 2   10  26 o 64.772  2.0539 207.818  13.131  215.862  16.344  193.171  22.055  65.953  2.5107 62.105  3.6134 3.847504       4.400030  
1 1 1 2   11  0  o 128.571 1.6633 815.986  21.108  801.183  29.583  831.340  30.127  127.386 2.3528 129.761 2.3522 -2.375305      3.326962  
1 1 1 2   11  1  o 451.170 5.9517 10070.44 265.042 10048.91 374.848 10091.96 374.804 450.133 8.4369 451.101 8.4178 -0.9682312     11.91803  
1 1 1 2   11  2  o 254.728 3.0645 3204.39  77.049  3198.01  108.985 3210.78  108.942 254.389 4.3404 254.898 4.3301 -0.5082550     6.130992  
1 1 1 2   11  3  o 114.546 1.4712 647.630  16.633  644.759  23.541  650.492  23.505  114.283 2.0870 114.790 2.0745 -0.5071869     2.942639  
1 1 1 2   11  4  o 186.898 3.0918 1725.03  57.035  1803.60  178.258 1716.07  60.200  190.582 9.4762 186.404 3.2720 4.177567       10.02516  
1 1 1 2   11  5  o 315.043 3.7141 4902.93  115.493 4831.28  163.323 4974.60  163.341 312.579 5.2937 317.190 5.2173 -4.611115      7.432529  
1 1 1 2   11  6  o 177.814 2.1692 1560.91  38.072  1556.86  53.866  1564.96  53.818  177.554 3.0736 178.015 3.0629 -0.4613037     4.339204  
1 1 1 2   11  7  o 108.943 6.2602 589.298  67.033  608.961  94.864  569.688  94.734  110.436 8.7751 106.748 9.0772 3.688339       12.62533  
1 1 1 2   11  8  f 158.566 6.5482 1244.78  102.485 1245.16  145.003 1244.39  144.870 158.064 9.3356 158.015 9.3299 0.4849243E-01  13.19849  
1 1 1 2   11  9  o 182.397 2.5957 1642.72  46.730  1659.18  66.092  1626.26  66.081  183.262 3.6538 181.433 3.6900 1.828674       5.192921  
1 1 1 2   11  10 o 177.812 2.6310 1561.12  46.176  1541.40  65.210  1580.94  65.396  176.642 3.7401 178.895 3.7036 -2.253159      5.263543  
1 1 1 2   11  11 o 126.725 1.7380 792.772  21.740  812.007  30.686  773.387  30.805  128.237 2.4243 125.149 2.4938 3.088600       3.477955  
1 1 1 2   11  12 o 140.635 1.9470 976.482  27.027  953.465  39.613  996.526  36.967  138.935 2.8887 142.048 2.6366 -3.113037      3.910998  
1 1 1 2   11  13 o 221.316 2.9653 2419.99  64.775  2371.75  91.521  2468.41  91.691  218.971 4.2345 223.398 4.1583 -4.426437      5.934854  
1 1 1 2   11  14 o 119.249 1.8147 702.154  21.359  695.730  30.098  708.672  30.316  118.671 2.5696 119.770 2.5645 -1.098930      3.630315  
1 1 1 2   11  15 o 245.625 3.1173 2982.90  75.575  2829.00  111.562 3113.43  102.741 238.923 4.7307 250.766 4.1509 -11.84358      6.293611  
1 1 1 2   11  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   11  17 o 131.610 6.4081 863.117  83.243  871.687  117.703 854.541  117.745 131.314 9.1381 129.977 9.2381 1.337296       12.99413  
1 1 1 2   11  18 o 63.781  1.6673 200.902  10.496  192.405  14.573  210.064  15.131  62.395  2.3662 65.196  2.3513 -2.801029      3.335769  
1 1 1 2   11  19 o 171.352 2.4178 1451.30  40.892  1417.51  58.938  1482.66  56.783  169.196 3.5292 173.073 3.3240 -3.876770      4.848064  
1 1 1 2   11  20 o 81.410  1.7256 327.371  13.866  350.516  20.223  306.836  19.048  84.203  2.4332 78.781  2.4496 5.421928       3.452714  
1 1 1 2   11  21 o 96.153  1.8095 456.770  17.173  453.862  23.570  460.060  25.072  95.800  2.4926 96.440  2.6339 -0.6402893     3.626371  
1 1 1 2   11  22 o 182.872 2.6409 1655.08  47.668  1644.75  66.986  1665.67  67.848  182.046 3.7280 183.194 3.7523 -1.147339      5.289352  
1 1 1 2   11  23 o 95.924  1.7098 454.805  16.188  453.359  23.910  456.029  21.997  95.683  2.5317 95.990  2.3217 -0.3070755     3.435090  
1 1 1 2   11  24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   11  25 o 62.370  2.0169 192.621  12.416  181.445  20.764  198.842  15.491  60.231  3.5078 63.315  2.4787 -3.083740      4.295169  
1 1 1 2   11  26 o 40.800  1.7907 82.396   7.2113  90.230   17.841  80.866   7.8841  42.181  4.3474 40.406  1.9768 1.774857       4.775766  
1 1 1 2   12  0  f 112.929 1.4779 629.521  16.474  621.296  23.379  637.632  23.217  112.175 2.1115 113.642 2.0698 -1.466179      2.956795  
1 1 1 2   12  1  o 138.551 1.7518 947.639  23.956  965.678  33.425  928.586  34.352  139.846 2.4215 137.130 2.5380 2.715622       3.507872  
1 1 1 2   12  2  o 100.302 1.3421 496.579  13.287  444.569  18.634  550.370  18.950  94.896  1.9894 105.588 1.8183 -10.69257      2.695172  
1 1 1 2   12  3  o 193.146 2.7974 1842.24  53.330  1904.12  67.576  1740.07  86.833  196.329 3.4872 187.608 4.6892 8.721390       5.843737  
1 1 1 2   12  4  o 144.241 1.9794 1027.06  28.181  951.610  37.692  1122.71  42.436  138.824 2.7507 150.786 2.8513 -11.96172      3.961879  
1 1 1 2   12  5  o 83.235  1.7912 341.988  14.716  0.0000   0.0000  341.988  14.716  ?       ?      83.235  1.7912 0.000000       1.791210  
1 1 1 2   12  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   12  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   12  8  o 354.423 4.6946 6208.88  164.231 6235.03  232.285 6182.74  232.230 354.898 6.6311 353.402 6.6576 1.495728       9.396522  
1 1 1 2   12  9  o 155.873 2.2239 1199.59  34.216  1196.40  49.126  1202.61  47.684  155.630 3.1980 156.037 3.0961 -0.4078369     4.451196  
1 1 1 2   12  10 o 257.775 3.3776 3282.85  85.937  3308.65  121.623 3257.14  121.444 258.648 4.7640 256.623 4.7945 2.024658       6.758970  
1 1 1 2   12  11 o 168.124 2.2062 1395.69  36.610  1369.76  51.755  1421.66  51.794  166.510 3.1491 169.638 3.0933 -3.128265      4.414186  
1 1 1 2   12  12 o 102.818 1.6703 521.911  16.952  527.687  24.072  516.228  23.875  103.368 2.3594 102.239 2.3659 1.128662       3.341280  
1 1 1 2   12  13 o 217.633 2.7208 2340.09  58.447  2406.40  82.678  2273.85  82.634  220.579 3.7975 214.404 3.9048 6.174133       5.446810  
1 1 1 2   12  14 o 80.915  1.4641 323.239  11.693  345.784  16.815  302.130  16.271  83.674  2.0360 78.212  2.1077 5.462029       2.930470  
1 1 1 2   12  15 o 143.365 6.3632 1022.92  90.043  974.910  127.276 1071.02  127.403 138.997 9.3311 145.859 8.8918 -6.862061      12.88929  
1 1 1 2   12  16 o 242.425 7.5805 2939.51  181.389 2897.61  256.312 2981.54  256.734 239.022 10.864 242.542 10.724 -3.520676      15.26560  
1 1 1 2   12  17 o 42.553  1.9038 89.446   7.9960  88.009   8.1445  127.790  42.072  42.209  1.9549 49.681  8.9067 -7.472610      9.118730  
1 1 1 2   12  18 o 81.744  1.6509 330.015  13.320  335.409  18.721  324.484  18.956  82.381  2.3023 81.025  2.3703 1.356148       3.304404  
1 1 1 2   12  19 o 129.742 1.9678 831.650  25.200  829.350  35.465  833.995  35.813  129.492 2.7747 129.852 2.7942 -0.3601227     3.937873  
1 1 1 2   12  20 o 63.573  1.5175 199.599  9.5220  215.189  13.325  183.329  13.612  65.990  2.0457 60.900  2.2645 5.089672       3.051737  
1 1 1 2   12  21 o 40.110  1.3744 79.452   5.4414  82.666   5.9349  62.504   13.629  40.912  1.4697 35.268  3.9850 5.643764       4.247354  
1 1 1 2   12  22 o 51.098  2.0868 129.100  10.525  114.104  14.378  146.413  15.448  47.890  3.0577 54.293  2.8932 -6.402313      4.209511  
1 1 1 2   12  23 o 128.434 6.5976 836.066  83.355  920.027  118.184 752.959  117.582 133.236 9.0403 119.815 10.035 13.42036       13.50653  
1 1 1 2   12  24 o 117.811 2.8159 688.964  32.744  717.857  48.394  664.569  44.468  119.871 4.0902 115.398 3.9041 4.472527       5.654321  
1 1 1 2   12  25 o 55.907  1.7790 154.681  9.8172  159.882  19.306  152.867  11.401  56.517  3.4777 55.551  2.0794 0.9665909      4.051956  
1 1 1 2   12  26 o 33.320  4.5214 56.835   14.486  92.797   36.915  50.289   15.750  40.947  9.3403 31.094  5.3231 9.853138       10.75063  
1 1 1 2   13  0  o 170.838 2.1777 1441.33  36.722  1440.32  53.378  1442.24  50.599  170.715 3.1678 170.840 3.0007 -0.1258545     4.363356  
1 1 1 2   13  1  o 197.489 2.5082 1926.33  48.892  1912.90  71.488  1938.14  67.016  196.710 3.6819 198.026 3.4287 -1.316040      5.031144  
1 1 1 2   13  2  o 253.842 3.3363 3183.99  83.592  3240.50  118.279 3127.61  118.155 255.929 4.6823 251.421 4.7612 4.508133       6.677769  
1 1 1 2   13  3  o 74.302  1.2248 272.504  8.9827  265.215  12.575  280.098  12.836  73.296  1.7382 75.325  1.7265 -2.028633      2.449896  
1 1 1 2   13  4  o 192.303 3.4082 1827.11  64.690  1891.53  86.467  1745.21  97.493  195.583 4.4791 187.797 5.2596 7.785904       6.908349  
1 1 1 2   13  5  o 294.477 11.740 4335.35  341.236 4335.35  341.236 0.0000   0.0000  294.477 11.740 ?       ?      0.000000       11.74008  
1 1 1 2   13  6  o 139.248 8.7172 967.467  119.208 967.467  119.208 0.0000   0.0000  139.248 8.7172 ?       ?      0.000000       8.717215  
1 1 1 2   13  7  o 220.181 2.7557 2394.31  59.889  2500.68  83.280  2280.39  86.186  224.949 3.7508 214.787 4.0653 10.16182       5.531308  
1 1 1 2   13  8  f 215.581 2.7240 2295.34  57.963  2275.93  85.994  2311.50  78.467  214.571 4.0603 216.273 3.6758 -1.702393      5.477024  
1 1 1 2   13  9  o 97.016  1.5457 464.621  14.802  453.881  20.841  475.551  21.025  95.875  2.2023 98.138  2.1706 -2.262787      3.092166  
1 1 1 2   13  10 o 202.458 2.5569 2024.45  51.096  2017.06  73.546  2031.35  71.040  202.004 3.6886 202.730 3.5502 -0.7261047     5.119551  
1 1 1 2   13  11 o 77.308  1.4346 295.032  10.947  303.035  15.673  287.408  15.296  78.339  2.0270 76.292  2.0313 2.046715       2.869649  
1 1 1 2   13  12 o 230.250 3.1356 2620.34  71.262  2641.14  100.612 2599.40  100.948 230.991 4.4128 229.151 4.4632 1.840759       6.276403  
1 1 1 2   13  13 o 48.177  1.3090 114.581  6.2246  120.749  8.7909  108.380  8.8151  49.450  1.8011 46.847  1.9064 2.602856       2.622645  
1 1 1 2   13  14 o 270.477 7.9997 3658.12  213.568 3650.92  302.070 3665.33  301.991 268.413 11.402 268.958 11.376 -0.5453491     16.10607  
1 1 1 2   13  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   13  16 o 181.608 2.3732 1630.03  42.540  1644.23  60.181  1615.85  60.141  182.269 3.3451 180.685 3.3722 1.583725       4.749899  
1 1 1 2   13  17 o 60.224  1.4488 179.096  8.6119  196.449  11.902  160.031  12.476  63.061  1.9122 56.906  2.2211 6.154320       2.930893  
1 1 1 2   13  18 o 126.796 2.2803 794.625  28.538  749.664  34.787  887.160  49.906  123.104 2.8629 133.803 3.7788 -10.69822      4.740849  
1 1 1 2   13  19 o 54.435  1.7590 146.374  9.4507  190.147  15.069  117.992  12.134  62.014  2.4618 48.784  2.5286 13.23074       3.529058  
1 1 1 2   13  20 f 100.037 1.8070 494.424  17.842  466.307  24.753  524.828  25.740  97.095  2.5829 103.013 2.5316 -5.917229      3.616623  
1 1 1 2   13  21 o 62.282  1.9624 191.719  12.064  197.998  16.690  184.850  17.457  63.253  2.6732 61.103  2.8945 2.150658       3.940079  
1 1 1 2   13  22 o 79.145  6.1546 316.470  47.701  323.464  67.100  309.325  67.825  79.113  8.7388 77.213  9.0724 1.899643       12.59664  
1 1 1 2   13  23 f 44.639  1.5181 98.477   6.6886  103.787  9.4953  93.247   9.4234  45.797  2.1006 43.347  2.2098 2.449730       3.048905  
1 1 1 2   13  24 o 53.147  1.7810 139.750  9.3427  144.390  10.687  124.708  19.243  54.004  2.0049 49.812  3.9461 4.191830       4.426163  
1 1 1 2   13  25 o 48.188  2.6834 115.716  12.712  118.386  18.669  113.408  17.358  48.477  3.9356 47.489  3.7333 0.9879303      5.424642  
1 1 1 2   13  26 o 24.231  4.8331 30.664   11.154  26.641   16.358  34.160   15.248  22.540  6.7916 25.329  6.1587 -2.789278      9.168168  
1 1 1 2   14  0  o 181.568 2.2539 1628.49  40.392  1644.36  57.155  1612.65  57.092  182.367 3.1752 180.597 3.2028 1.770218       4.509997  
1 1 1 2   14  1  f 119.999 1.5438 710.942  18.285  695.042  25.865  726.828  25.853  118.625 2.2091 121.309 2.1592 -2.684448      3.089018  
1 1 1 2   14  2  o 155.253 1.9916 1190.29  30.520  1157.67  43.672  1221.42  42.669  153.060 2.8907 157.227 2.7495 -4.167267      3.989454  
1 1 1 2   14  3  o 244.344 10.792 2995.22  260.271 0.0000   0.0000  2995.22  260.271 ?       ?      244.344 10.792 0.000000       10.79169  
1 1 1 2   14  4  o 40.752  9.3845 86.189   36.968  0.0000   0.0000  86.189   36.968  ?       ?      40.752  9.3845 0.000000       9.384511  
1 1 1 2   14  5  o 68.604  1.2301 232.318  8.3294  223.719  12.085  240.099  11.496  67.314  1.8190 69.737  1.6701 -2.423096      2.469368  
1 1 1 2   14  6  o 55.044  1.2586 149.556  6.8379  148.724  9.1004  150.635  10.363  54.886  1.6798 55.235  1.9007 -0.3487701     2.536655  
1 1 1 2   14  7  o 222.986 10.370 2487.52  228.229 2487.52  228.229 0.0000   0.0000  222.986 10.370 ?       ?      0.000000       10.36954  
1 1 1 2   14  8  o 210.840 2.7023 2195.99  56.237  2168.53  76.799  2227.73  82.576  209.428 3.7152 212.244 3.9417 -2.815430      5.416652  
1 1 1 2   14  9  o 313.127 4.2248 4851.00  130.575 4991.71  173.993 4669.56  197.567 317.348 5.5547 306.686 6.5266 10.66220       8.570380  
1 1 1 2   14  10 o 111.559 1.6282 614.455  17.929  629.731  25.226  598.862  25.487  112.916 2.2634 110.111 2.3451 2.805542       3.259185  
1 1 1 2   14  11 o 92.779  1.5362 424.984  14.068  424.418  19.818  425.559  19.974  92.699  2.1660 92.823  2.1801 -0.1240845     3.073119  
1 1 1 2   14  12 o 50.213  1.2561 124.469  6.2257  130.052  8.9187  119.162  8.6945  51.319  1.7607 49.123  1.7932 2.196083       2.513091  
1 1 1 2   14  13 o 131.902 5.2696 863.710  68.606  1147.59  97.249  582.451  96.799  151.811 6.4901 107.294 9.2302 44.51749       11.28352  
1 1 1 2   14  14 o 137.763 2.6329 938.174  35.801  889.024  50.910  986.259  50.355  133.981 3.8497 141.147 3.6144 -7.166199      5.280566  
1 1 1 2   14  15 o 138.275 2.0078 944.594  27.404  957.778  38.435  930.961  39.083  139.168 2.7980 137.197 2.8861 1.971024       4.019724  
1 1 1 2   14  16 o 175.793 2.5292 1527.82  43.885  1552.05  61.974  1503.45  62.151  177.031 3.5467 174.225 3.6141 2.805557       5.063708  
1 1 1 2   14  17 o 34.825  2.5899 60.298   8.8387  80.231   12.235  38.543   12.782  40.144  3.1122 27.446  4.8982 12.69805       5.803314  
1 1 1 2   14  18 o 131.772 2.6416 858.774  34.358  927.803  120.333 852.647  35.850  135.130 9.0746 131.287 2.7665 3.842514       9.486974  
1 1 1 2   14  19 o 13.966  1.5149 9.7466   2.0548  11.072   2.8879  8.3874   2.9243  14.831  2.0257 12.817  2.3997 2.014001       3.140402  
1 1 1 2   14  20 o 138.410 2.1030 946.984  28.731  889.497  39.918  1008.78  41.385  134.029 3.0174 142.745 2.9373 -8.716156      4.211016  
1 1 1 2   14  21 o 136.305 6.5466 933.588  88.077  868.707  124.006 999.641  125.120 129.759 9.7535 139.607 9.1303 -9.848404      13.36017  
1 1 1 2   14  22 o 91.265  2.3813 412.294  21.451  429.658  29.747  393.483  30.962  93.049  3.2389 89.001  3.5245 4.048241       4.786710  
1 1 1 2   14  23 o 113.383 2.0167 636.194  22.570  634.337  31.198  638.232  32.690  113.075 2.7953 113.394 2.9208 -0.3192978     4.042870  
1 1 1 2   14  24 o 116.485 2.0726 672.120  23.829  661.857  35.654  680.406  32.035  115.319 3.1324 117.030 2.7733 -1.711014      4.183668  
1 1 1 2   14  25 o 59.336  1.9558 174.416  11.455  196.902  21.565  165.578  13.519  62.689  3.4991 57.761  2.3713 4.927639       4.226923  
1 1 1 2   14  26 o 126.198 2.3364 790.772  29.103  817.802  40.401  761.618  41.959  127.998 3.1979 123.411 3.4446 4.586838       4.700166  
1 1 1 2   15  0  o 148.594 1.9617 1090.62  28.772  1136.34  40.789  1045.35  40.590  151.618 2.7256 145.411 2.8280 6.206131       3.927676  
1 1 1 2   15  1  o 106.618 1.4506 561.248  15.265  534.643  21.400  588.813  21.782  104.035 2.0840 109.182 2.0212 -5.146217      2.903131  
1 1 1 2   15  2  o 147.122 6.5385 1077.34  94.949  1088.44  134.354 1066.28  134.202 146.961 9.3104 145.422 9.3999 1.538452       13.23031  
1 1 1 2   15  3  o 240.067 7.5482 2874.92  178.859 2881.25  252.920 2868.59  252.970 239.038 10.720 238.500 10.746 0.5383911      15.17856  
1 1 1 2   15  4  o 111.817 1.6049 617.332  17.713  593.094  26.331  637.365  23.938  109.567 2.4347 113.596 2.1350 -4.029633      3.238235  
1 1 1 2   15  5  o 216.258 2.9518 2311.55  63.006  2345.41  91.146  2280.56  87.194  217.660 4.2425 214.650 4.1155 3.010330       5.910726  
1 1 1 2   15  6  o 140.215 2.0305 970.958  28.102  951.041  40.884  988.795  38.690  138.713 2.9861 141.455 2.7711 -2.741440      4.073769  
1 1 1 2   15  7  o 182.907 2.3856 1652.66  43.069  1561.20  62.644  1734.65  59.309  177.666 3.5722 187.315 3.2079 -9.648773      4.801167  
1 1 1 2   15  8  o 161.503 2.9737 1289.25  47.404  1268.59  49.938  1477.39  150.710 160.188 3.1584 171.604 8.9286 -11.41565      9.470779  
1 1 1 2   15  9  o 136.861 1.9086 925.019  25.783  883.292  36.346  967.287  36.581  133.690 2.7544 139.910 2.6489 -6.219467      3.821430  
1 1 1 2   15  10 o 84.584  1.5109 353.244  12.614  345.579  17.768  361.032  17.910  83.642  2.1521 85.493  2.1225 -1.850609      3.022679  
1 1 1 2   15  11 o 94.051  2.2262 436.999  20.666  451.471  28.650  421.300  29.839  95.552  3.0377 92.290  3.2757 3.262596       4.467403  
1 1 1 2   15  12 o 188.954 9.9337 1806.50  184.618 1806.50  184.618 0.0000   0.0000  188.954 9.9337 ?       ?      0.000000       9.933713  
1 1 1 2   15  13 o 75.898  1.4251 284.438  10.676  275.162  14.915  294.184  15.288  74.631  2.0248 77.168  2.0072 -2.537125      2.851020  
1 1 1 2   15  14 o 138.904 2.3882 953.673  32.743  959.299  46.305  948.047  46.306  139.207 3.3700 138.386 3.3901 0.8213654      4.780159  
1 1 1 2   15  15 o 229.115 3.0824 2597.68  69.707  2574.86  98.524  2620.56  98.636  227.792 4.3820 229.814 4.3484 -2.022034      6.173340  
1 1 1 2   15  16 o 91.773  1.9836 416.148  17.968  425.154  29.684  410.941  22.573  92.669  3.2453 91.165  2.5085 1.504364       4.101802  
1 1 1 2   15  17 f 138.014 2.3133 941.646  31.513  958.394  38.853  909.443  53.876  139.178 2.8283 135.401 4.0313 3.777100       4.924463  
1 1 1 2   15  18 o 70.370  1.6999 244.621  11.807  227.942  16.165  263.698  17.288  67.895  2.4121 73.027  2.3984 -5.132095      3.401525  
1 1 1 2   15  19 o 105.592 2.6529 551.667  27.650  786.872  96.231  530.502  28.867  124.648 7.8619 103.529 2.8249 21.11839       8.354059  
1 1 1 2   15  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   15  21 o 137.726 2.2897 938.463  31.126  958.933  43.747  917.476  44.296  139.058 3.1873 135.995 3.2999 3.062714       4.587835  
1 1 1 2   15  22 o 86.239  2.0673 367.973  17.597  366.807  24.871  369.142  24.902  85.993  2.9302 86.267  2.9245 -0.2740479     4.139933  
1 1 1 2   15  23 o 131.668 2.2340 858.831  29.033  889.533  39.852  824.109  42.382  133.793 3.0178 128.681 3.3368 5.112366       4.499043  
1 1 1 2   15  24 o 60.844  1.6784 183.190  10.080  183.190  10.080  0.0000   0.0000  60.844  1.6784 ?       ?      0.000000       1.678440  
1 1 1 2   15  25 o 99.258  2.2650 488.903  22.190  517.896  31.866  461.609  30.918  101.891 3.1685 96.166  3.2573 5.725349       4.544191  
1 1 1 2   15  26 o 30.186  4.4413 46.951   12.837  56.225   18.417  38.189   17.902  32.611  5.9405 26.583  6.7966 6.028175       9.026851  
1 1 1 2   16  0  o 268.980 3.2460 3579.81  86.178  3644.06  121.953 3515.72  121.796 271.045 4.5585 266.206 4.6354 4.838837       6.501235  
1 1 1 2   16  1  o 11.402  5.1287 -6.0084  12.092  -14.3560 18.691  -0.0000  15.857  13.339  6.1433 14.668  6.2444 -1.329017      8.759735  
1 1 1 2   16  2  o 173.550 3.5350 1490.89  60.555  1581.80  77.130  1344.81  97.771  178.622 4.3748 164.364 6.0266 14.25809       7.447042  
1 1 1 2   16  3  o 69.947  1.3121 241.554  9.0585  238.919  12.902  244.115  12.721  69.549  1.8795 70.303  1.8332 -0.7537613     2.625470  
1 1 1 2   16  4  o 183.156 2.4088 1657.75  43.546  1606.28  64.613  1700.58  58.943  180.138 3.6340 185.410 3.2208 -5.271942      4.855896  
1 1 1 2   16  5  o 105.550 1.5710 550.118  16.367  553.406  24.048  547.281  22.340  105.831 2.3021 105.252 2.1504 0.5792694      3.150255  
1 1 1 2   16  6  o 100.828 1.5517 501.992  15.443  496.736  22.228  506.896  21.471  100.270 2.2459 101.295 2.1475 -1.025040      3.107370  
1 1 1 2   16  7  o 88.161  1.4348 383.759  12.485  379.330  18.461  387.493  16.950  87.627  2.1344 88.573  1.9388 -0.9455719     2.883514  
1 1 1 2   16  8  o 156.670 2.0652 1212.53  31.936  1225.73  45.312  1199.51  45.019  157.446 2.9158 155.751 2.9284 1.694458       4.132458  
1 1 1 2   16  9  o 146.229 2.8597 1057.29  41.275  1030.33  42.262  1614.57  192.163 144.343 2.9663 178.093 10.985 -33.74995      11.37885  
1 1 1 2   16  10 o 92.299  9.0642 432.635  81.512  0.0000   0.0000  432.635  81.512  ?       ?      92.299  9.0642 0.000000       9.064219  
1 1 1 2   16  11 o 82.977  9.0606 350.737  73.001  0.0000   0.0000  350.737  73.001  ?       ?      82.977  9.0606 0.000000       9.060575  
1 1 1 2   16  12 o 39.148  1.1417 75.660   4.4117  88.077   6.2193  63.085   6.2590  42.233  1.4920 35.738  1.7744 6.494987       2.318272  
1 1 1 2   16  13 o 87.273  1.5368 376.145  13.238  364.329  18.547  388.419  18.902  85.861  2.1884 88.656  2.1601 -2.794823      3.074945  
1 1 1 2   16  14 o 59.807  1.6496 176.670  9.7382  176.376  13.609  176.978  13.941  59.734  2.3082 59.834  2.3605 -0.9972000E-01 3.301469  
1 1 1 2   16  15 o 142.895 2.1912 1009.22  30.906  1010.48  42.544  1007.82  44.971  142.888 3.0166 142.675 3.1934 0.2124939      4.392905  
1 1 1 2   16  16 o 82.019  1.5526 332.255  12.569  331.918  17.583  332.608  17.973  81.946  2.1739 82.028  2.2199 -0.8245850E-01 3.107058  
1 1 1 2   16  17 o 50.429  1.5610 125.614  7.7701  127.548  9.2121  120.845  14.464  50.808  1.8369 49.318  2.9855 1.489578       3.505321  
1 1 1 2   16  18 o 50.039  2.0623 123.767  10.186  128.613  13.866  118.087  15.011  50.902  2.7703 48.727  3.1378 2.174953       4.185790  
1 1 1 2   16  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   16  20 o 91.056  7.6433 422.797  68.059  373.296  83.766  518.940  116.741 84.436  10.262 98.618  12.258 -14.18242      15.98615  
1 1 1 2   16  21 o 145.070 2.2859 1041.58  32.732  1066.12  48.001  1020.25  44.749  146.538 3.3187 143.391 3.1618 3.147308       4.583707  
1 1 1 2   16  22 f 47.272  2.6350 111.146  12.246  110.890  18.153  111.360  16.589  46.991  3.9505 47.162  3.5906 -0.1705704     5.338465  
1 1 1 2   16  23 f 38.994  1.4591 75.181   5.6160  81.539   8.0624  69.189   7.8273  40.576  2.0131 37.309  2.1344 3.267246       2.933964  
1 1 1 2   16  24 o 55.043  1.3729 149.822  7.4590  144.668  10.702  154.689  10.401  54.027  2.0069 55.881  1.8858 -1.853664      2.753906  
1 1 1 2   16  25 o 38.716  1.5652 74.186   5.9811  120.939  20.220  69.703   6.2613  48.820  4.2382 37.519  1.6908 11.30113       4.563029  
1 1 1 2   16  26 o 79.088  6.7961 329.735  52.536  343.739  73.710  315.276  74.899  78.240  9.7569 74.200  10.522 4.039963       14.34924  
1 1 1 2   17  0  o 16.684  6.3720 9.5707   14.609  8.3448   22.235  10.502   19.379  19.057  7.6812 18.609  7.2765 0.4482479      10.58053  
1 1 1 2   17  1  o 95.796  1.4368 453.145  13.586  479.848  19.330  427.075  19.099  98.553  1.9871 92.971  2.0812 5.581978       2.877520  
1 1 1 2   17  2  o 138.172 2.0599 943.265  28.093  983.365  47.256  921.347  34.937  140.941 3.3969 136.512 2.5929 4.429245       4.273416  
1 1 1 2   17  3  o 49.836  1.4628 122.644  7.1957  114.999  10.238  130.107  10.116  48.242  2.1501 51.318  1.9971 -3.075539      2.934447  
1 1 1 2   17  4  o 55.959  1.4112 154.623  7.7948  158.475  10.104  148.962  12.250  56.642  1.8073 54.903  2.2606 1.739647       2.894209  
1 1 1 2   17  5  o 142.849 2.0077 1008.15  28.307  992.184  40.051  1024.08  40.015  141.635 2.8649 143.900 2.8173 -2.264114      4.018022  
1 1 1 2   17  6  o 46.283  1.3637 105.772  6.2298  105.984  7.6677  105.359  10.686  46.324  1.6770 46.110  2.3557 0.2136574      2.891639  
1 1 1 2   17  7  o 246.221 3.2553 3000.45  79.112  3038.14  117.566 2969.27  106.949 247.346 4.8155 244.643 4.4290 2.703262       6.542617  
1 1 1 2   17  8  o 62.329  1.3587 191.826  8.3591  189.771  11.730  193.946  11.916  61.979  1.9174 62.657  1.9267 -0.6777229     2.718172  
1 1 1 2   17  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   17  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   17  11 o 185.516 2.5445 1701.75  46.592  1682.50  65.867  1721.02  65.915  184.283 3.6212 186.389 3.5829 -2.105209      5.094106  
1 1 1 2   17  12 o 54.205  1.6592 145.128  8.8773  135.300  12.258  155.969  12.874  52.315  2.3739 56.171  2.3220 -3.856079      3.320682  
1 1 1 2   17  13 o 177.416 2.5867 1556.72  45.298  1546.17  66.436  1565.89  61.923  176.595 3.8115 177.776 3.5289 -1.181091      5.194317  
1 1 1 2   17  14 o 144.014 2.2112 1025.21  31.431  991.322  45.733  1055.54  43.270  141.477 3.2750 146.029 3.0020 -4.552017      4.442703  
1 1 1 2   17  15 o 112.890 1.8029 629.651  20.089  592.073  28.697  665.766  28.132  109.397 2.6576 116.026 2.4565 -6.629074      3.619006  
1 1 1 2   17  16 o 49.390  2.0040 120.561  9.7694  121.570  13.915  119.580  13.719  49.477  2.8616 49.071  2.8447 0.4060669      4.034976  
1 1 1 2   17  17 o 34.231  2.7808 58.381   9.3143  50.137   13.023  67.016   13.327  31.476  4.3045 36.564  3.7458 -5.087479      5.706084  
1 1 1 2   17  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   17  19 o 27.522  0.8078 37.394   2.1945  41.605   3.1054  33.192   3.1016  29.027  1.0839 25.925  1.2121 3.101984       1.626024  
1 1 1 2   17  20 o 38.381  1.2554 72.761   4.7557  72.508   6.7387  73.012   6.7127  38.298  1.7826 38.431  1.7696 -0.1332474     2.511830  
1 1 1 2   17  21 o 28.924  1.9868 41.586   5.6378  41.586   5.6378  0.0000   0.0000  28.924  1.9868 ?       ?      0.000000       1.986822  
1 1 1 2   17  22 o 58.945  1.1989 171.670  6.9754  181.702  9.7957  161.351  9.9351  60.613  1.6373 57.108  1.7625 3.504742       2.405705  
1 1 1 2   17  23 o 45.883  1.4182 104.108  6.4227  112.759  9.1430  95.681   9.0244  47.710  1.9416 43.936  2.0809 3.773491       2.846042  
1 1 1 2   17  24 o 55.911  1.5915 154.737  8.7828  167.734  21.629  152.171  9.6109  57.686  3.8204 55.428  1.7567 2.258389       4.204897  
1 1 1 2   17  25 o 39.848  10.187 91.941   40.222  91.941   40.222  0.0000   0.0000  39.848  10.187 ?       ?      0.000000       10.18731  
1 1 1 2   17  26 o 47.550  4.3996 115.705  20.415  248.389  50.653  89.972   22.307  67.666  7.7223 41.415  5.6005 26.25101       9.539370  
1 1 1 2   18  0  o 86.153  1.3883 366.526  11.806  372.384  16.941  360.994  16.461  86.812  1.9770 85.475  1.9511 1.336632       2.777667  
1 1 1 2   18  1  o 68.935  1.4006 234.662  9.5299  236.715  13.405  232.565  13.551  69.216  1.9621 68.605  2.0011 0.6110535      2.802580  
1 1 1 2   18  2  o 99.761  1.4708 491.478  14.483  467.845  20.434  515.338  20.531  97.299  2.1277 102.123 2.0368 -4.824997      2.945451  
1 1 1 2   18  3  o 119.388 1.6618 704.008  19.583  684.907  27.621  723.314  27.768  117.706 2.3774 120.966 2.3257 -3.259583      3.325820  
1 1 1 2   18  4  o 76.946  1.3747 292.363  10.441  282.051  14.654  302.994  14.879  75.555  1.9650 78.312  1.9249 -2.756645      2.750748  
1 1 1 2   18  5  o 174.348 2.3227 1502.57  39.971  1459.21  59.107  1539.12  54.260  171.640 3.4889 176.342 3.1174 -4.701538      4.678704  
1 1 1 2   18  6  f 140.179 1.9197 970.841  26.561  985.568  37.657  956.257  37.471  141.161 2.7027 139.043 2.7303 2.118042       3.841753  
1 1 1 2   18  7  o 38.932  3.1688 75.525   12.071  79.159   16.678  71.526   17.494  39.706  4.3256 37.637  4.8200 2.069309       6.476315  
1 1 1 2   18  8  o 226.725 7.4301 2580.06  166.275 2495.26  234.802 2665.37  235.497 220.944 10.767 228.589 10.437 -7.645020      14.99549  
1 1 1 2   18  9  o 163.094 2.2480 1314.82  36.188  1364.38  49.778  1259.27  52.701  166.031 3.0375 159.457 3.3484 6.573486       4.520896  
1 1 1 2   18  10 o 224.061 3.0164 2484.88  66.709  2512.91  94.310  2456.81  94.371  224.999 4.2466 222.458 4.2979 2.541214       6.041984  
1 1 1 2   18  11 o 73.953  1.5417 270.122  11.254  293.128  16.677  250.890  15.248  77.007  2.1941 71.245  2.1684 5.762520       3.084806  
1 1 1 2   18  12 o 89.522  1.6252 395.873  14.361  407.040  20.545  385.205  20.081  90.736  2.2940 88.268  2.3049 2.468018       3.251909  
1 1 1 2   18  13 o 83.680  1.6518 345.914  13.643  359.811  19.498  332.584  19.096  85.305  2.3157 82.011  2.3591 3.293861       3.305668  
1 1 1 2   18  14 o 176.495 2.5487 1541.00  44.400  1509.85  62.607  1572.51  62.976  174.489 3.6351 178.085 3.5827 -3.595947      5.103933  
1 1 1 2   18  15 o 70.078  1.5398 242.580  10.651  229.271  14.861  256.638  15.273  68.095  2.2110 72.049  2.1476 -3.953293      3.082312  
1 1 1 2   18  16 o 46.614  7.0757 111.715  31.532  117.170  46.095  106.917  43.230  46.902  10.244 44.821  10.023 2.080570       14.33165  
1 1 1 2   18  17 o 63.552  6.7012 205.305  41.402  237.969  59.529  174.704  57.619  67.681  9.1452 57.336  10.571 10.34559       13.97778  
1 1 1 2   18  18 o 122.307 2.0357 739.696  24.575  727.219  34.258  752.923  35.274  121.155 2.8648 123.271 2.8991 -2.116829      4.075723  
1 1 1 2   18  19 o 24.086  1.1583 28.651   2.7536  30.230   3.9640  27.180   3.8280  24.678  1.6367 23.391  1.6689 1.286592       2.337548  
1 1 1 2   18  20 o 98.191  2.0544 477.076  19.910  487.754  29.854  468.522  26.721  99.126  3.0513 97.199  2.7852 1.926964       4.131318  
1 1 1 2   18  21 o 102.339 2.1331 518.668  21.547  518.506  32.100  518.801  29.069  102.105 3.1851 102.206 2.8816 -0.1003876     4.295153  
1 1 1 2   18  22 o 55.236  1.5976 150.938  8.7099  164.652  12.442  137.759  12.197  57.630  2.1873 52.697  2.3450 4.933819       3.206727  
1 1 1 2   18  23 o 20.005  5.9121 20.929   12.485  -1.3680  20.574  33.928   15.709  16.040  6.9727 25.169  6.3296 -9.128216      9.417140  
1 1 1 2   18  24 o 47.663  14.434 148.550  73.744  0.0000   0.0000  148.550  73.744  ?       ?      47.663  14.434 0.000000       14.43353  
1 1 1 2   18  25 o 19.518  6.3993 19.444   14.230  26.388   22.527  14.833   18.357  22.914  8.0454 18.899  7.1607 4.014889       10.77050  
1 1 1 2   19  0  o 22.036  3.1688 24.544   6.6942  21.358   9.1445  28.224   9.8262  20.320  4.6588 23.453  4.4066 -3.133106      6.412656  
1 1 1 2   19  1  o 155.153 2.0649 1189.83  31.623  1225.57  44.828  1154.42  44.615  157.352 2.8863 152.704 2.9600 4.647873       4.134304  
1 1 1 2   19  2  o 194.761 2.5587 1876.24  49.187  1921.18  66.653  1822.50  72.886  196.903 3.4295 191.678 3.8524 5.224716       5.157792  
1 1 1 2   19  3  o 78.178  1.4442 301.840  11.144  300.382  15.750  303.302  15.770  77.961  2.0467 78.340  2.0395 -0.3785095     2.889400  
1 1 1 2   19  4  o 69.038  1.4427 235.387  9.8310  225.117  13.935  245.563  13.872  67.489  2.0919 70.492  1.9937 -3.002930      2.889760  
1 1 1 2   19  5  o 95.114  1.6220 446.861  15.228  422.639  21.846  469.754  21.238  92.452  2.3939 97.483  2.2072 -5.031143      3.256197  
1 1 1 2   19  6  f 178.430 6.9319 1596.66  122.083 1563.54  173.652 1629.04  171.668 174.748 10.111 178.590 9.7758 -3.842163      14.06408  
1 1 1 2   19  7  o 80.850  6.4142 329.082  50.766  346.851  72.079  311.592  71.513  82.248  9.0272 77.743  9.5183 4.504730       13.11822  
1 1 1 2   19  8  o 95.981  1.6319 455.069  15.460  450.092  21.943  459.974  21.786  95.409  2.3301 96.454  2.2883 -1.044884      3.265834  
1 1 1 2   19  9  o 115.991 1.9412 664.858  22.225  674.212  38.208  660.075  27.323  116.655 3.3183 115.533 2.3960 1.122536       4.092914  
1 1 1 2   19  10 o 35.758  1.4224 63.149   5.0202  62.486   11.894  63.292   5.5376  35.340  3.4539 35.796  1.5673 -0.4554024     3.792923  
1 1 1 2   19  11 o 102.840 2.3655 523.024  24.012  605.430  93.039  517.144  24.853  108.917 8.7277 102.251 2.4626 6.666306       9.068426  
1 1 1 2   19  12 o 174.427 2.4345 1504.90  41.913  1590.51  62.131  1433.41  56.779  179.100 3.5146 170.055 3.3827 9.045364       4.878047  
1 1 1 2   19  13 o 68.183  1.4481 229.620  9.7453  247.150  14.455  215.015  13.195  70.707  2.0713 65.952  2.0269 4.754311       2.898007  
1 1 1 2   19  14 o 56.650  1.8552 158.604  10.373  179.611  15.881  142.970  13.700  60.239  2.6709 53.750  2.5823 6.489506       3.715059  
1 1 1 2   19  15 o 73.160  6.0076 269.993  42.999  357.814  61.660  186.857  59.993  83.810  7.5343 59.316  10.638 24.49392       13.03562  
1 1 1 2   19  16 o 127.875 6.5277 824.914  82.117  890.787  116.994 760.948  115.287 131.596 9.0624 121.215 9.7176 10.38091       13.28752  
1 1 1 2   19  17 o 91.975  1.8431 418.199  16.732  434.837  23.426  400.873  23.906  93.716  2.5325 89.963  2.6922 3.753105       3.696208  
1 1 1 2   19  18 o 130.412 2.2240 841.647  28.628  879.701  40.226  802.595  40.750  133.164 3.0605 127.153 3.2469 6.011116       4.461925  
1 1 1 2   19  19 o 14.134  1.0606 9.9215   1.4688  6.5312   2.1216  13.043   2.0356  11.328  1.9690 16.197  1.2837 -4.869813      2.350512  
1 1 1 2   19  20 o 78.349  1.4715 303.452  11.379  308.256  16.108  298.665  16.078  78.903  2.0682 77.663  2.0974 1.240837       2.945645  
1 1 1 2   19  21 o 89.998  2.1647 401.469  19.229  404.482  28.149  398.832  26.330  90.114  3.1648 89.529  2.9796 0.5847626      4.346692  
1 1 1 2   19  22 o 37.907  4.2227 73.183   15.531  136.304  43.507  63.964   16.627  49.618  9.2231 35.211  4.9183 14.40742       10.45253  
1 1 1 2   19  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   19  24 o 38.387  3.9621 75.105   14.796  131.688  27.914  52.994   17.449  50.196  5.7370 31.572  5.8137 18.62399       8.167783  
1 1 1 2   19  25 o 12.290  2.4450 7.7872   2.8617  4.7647   4.2071  10.390   3.9039  10.149  3.4817 14.164  2.8904 -4.014194      4.525108  
1 1 1 2   20  0  o 30.247  2.1763 45.490   6.4540  42.744   9.1349  48.228   9.1197  29.178  3.2258 31.046  3.0141 -1.867270      4.414782  
1 1 1 2   20  1  o 80.695  1.5172 321.694  12.084  319.934  17.322  323.363  16.866  80.429  2.1820 80.864  2.1131 -0.4352112     3.037500  
1 1 1 2   20  2  o 53.800  1.8724 143.059  9.9429  138.987  17.133  145.126  12.209  52.845  3.3012 54.168  2.2836 -1.322906      4.014048  
1 1 1 2   20  3  f 89.977  1.5206 399.922  13.505  387.669  19.304  411.665  18.899  88.542  2.2089 91.250  2.0983 -2.707962      3.046615  
1 1 1 2   20  4  o 118.107 2.0458 689.560  23.850  681.198  38.678  694.690  30.295  117.228 3.3427 118.487 2.5904 -1.258995      4.228905  
1 1 1 2   20  5  o 124.618 6.5674 781.307  80.496  768.186  113.694 794.495  113.982 122.310 9.4921 124.470 9.3459 -2.160751      13.32082  
1 1 1 2   20  6  o 120.026 2.5483 712.766  30.189  695.529  45.791  726.019  40.152  118.364 3.9194 121.025 3.3612 -2.661209      5.163307  
1 1 1 2   20  7  o 150.212 2.0720 1115.42  30.721  1102.79  43.507  1127.97  43.385  149.231 2.9537 150.932 2.9122 -1.701141      4.147943  
1 1 1 2   20  8  o 126.974 1.9251 796.824  24.126  811.239  34.229  782.592  34.012  128.026 2.7087 125.741 2.7404 2.285072       3.853180  
1 1 1 2   20  9  o 95.230  1.6630 448.058  15.632  442.989  22.306  452.949  21.912  94.635  2.3881 95.699  2.3198 -1.064163      3.329299  
1 1 1 2   20  10 o 104.124 1.7043 535.700  17.516  558.408  25.616  515.758  24.004  106.242 2.4427 102.110 2.3817 4.131706       3.411682  
1 1 1 2   20  11 o 88.649  1.6216 388.270  14.189  400.432  20.627  377.346  19.548  89.975  2.3227 87.347  2.2674 2.627579       3.245909  
1 1 1 2   20  12 o 102.404 2.4327 518.866  24.589  806.816  96.269  498.770  25.432  125.994 7.7792 100.387 2.5667 25.60649       8.191723  
1 1 1 2   20  13 o 44.676  1.0196 98.552   4.4963  119.136  6.3710  78.125   6.3466  49.113  1.3142 39.764  1.6170 9.349819       2.083753  
1 1 1 2   20  14 o 97.269  6.4970 478.295  62.018  459.038  88.051  497.254  87.366  93.967  9.6295 98.078  9.1296 -4.111229      13.26942  
1 1 1 2   20  15 o 113.767 2.6889 641.092  30.194  690.375  44.669  599.627  40.973  117.836 3.8405 109.832 3.7795 8.004639       5.388367  
1 1 1 2   20  16 o 19.405  1.2213 18.672   2.3272  25.354   3.4350  13.002   3.1639  22.598  1.5494 16.086  2.0385 6.512047       2.560444  
1 1 1 2   20  17 o 116.836 2.0869 675.448  24.067  696.446  33.694  653.578  34.387  118.499 2.8807 114.762 3.0357 3.736343       4.185020  
1 1 1 2   20  18 o 34.020  1.1825 57.173   3.9707  57.504   5.6256  56.846   5.6053  34.102  1.6713 33.906  1.6749 0.1958427      2.366102  
1 1 1 2   20  19 o 92.118  2.0068 420.132  18.246  455.154  23.648  368.608  28.684  95.796  2.5010 86.033  3.3778 9.763054       4.202935  
1 1 1 2   20  20 o 49.825  1.5702 122.805  7.7219  135.391  10.913  110.184  10.928  52.267  2.1154 47.128  2.3493 5.139088       3.161297  
1 1 1 2   20  21 o 64.209  3.5697 207.038  22.534  197.037  30.756  218.628  33.111  62.095  5.0621 65.380  5.1732 -3.284737      7.237825  
1 1 1 2   20  22 o 42.079  8.7776 99.156   35.277  81.956   60.472  108.030  43.433  36.897  13.158 43.052  10.349 -6.155773      16.74054  
1 1 1 2   20  23 o 47.413  8.7297 126.248  39.348  147.894  73.574  117.576  46.567  46.665  14.471 44.374  10.746 2.291283       18.02456  
1 1 1 2   20  24 o 35.454  3.5790 63.936   12.353  62.878   19.719  64.619   15.849  34.258  6.0531 35.289  4.6643 -1.031395      7.641757  
1 1 1 2   20  25 o 29.117  8.0710 48.585   24.001  42.465   34.380  54.403   33.520  27.539  9.9110 30.273  9.8161 -2.733524      13.94931  
1 1 1 2   21  0  o 49.252  1.7163 119.966  8.3436  110.581  11.946  128.905  11.658  47.156  2.5763 51.011  2.3155 -3.855030      3.463934  
1 1 1 2   21  1  o 48.294  1.7136 115.318  8.1686  123.062  11.218  106.579  11.918  49.854  2.2798 46.299  2.6186 3.555546       3.471969  
1 1 1 2   21  2  o 139.897 1.9231 967.903  26.555  980.289  37.592  955.565  37.518  140.645 2.7079 138.853 2.7374 1.791275       3.850507  
1 1 1 2   21  3  o 19.699  7.8755 10.527   23.167  -6.5948  31.520  30.646   34.167  19.360  8.5177 26.723  9.8404 -7.362614      13.01480  
1 1 1 2   21  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   21  5  o 124.320 1.8841 764.043  23.120  776.365  32.718  751.753  32.675  125.215 2.6473 123.209 2.6868 2.006966       3.771883  
1 1 1 2   21  6  o 65.538  1.6011 212.230  10.357  217.794  15.602  207.847  13.849  66.343  2.3826 64.825  2.1644 1.517647       3.218957  
1 1 1 2   21  7  o 59.909  1.9227 177.434  11.369  192.825  16.313  162.896  15.854  62.406  2.6484 57.347  2.8009 5.058289       3.854747  
1 1 1 2   21  8  o 108.729 1.9069 584.421  20.465  594.752  28.682  573.708  29.209  109.599 2.6514 107.629 2.7495 1.969673       3.819655  
1 1 1 2   21  9  f 98.294  1.8360 477.580  17.813  471.021  25.227  484.102  25.156  97.536  2.6204 98.886  2.5773 -1.350250      3.675484  
1 1 1 2   21  10 o 81.543  1.8829 328.716  15.154  335.330  21.587  322.289  21.279  82.290  2.6578 80.672  2.6724 1.617546       3.768999  
1 1 1 2   21  11 o 92.624  1.7822 424.069  16.294  441.912  23.163  406.593  22.925  94.483  2.4838 90.620  2.5630 3.863319       3.569052  
1 1 1 2   21  12 o 49.760  7.4673 128.212  35.544  118.448  50.794  137.579  49.754  46.649  11.178 50.629  10.307 -3.980560      15.20446  
1 1 1 2   21  13 o 111.296 6.5313 627.327  71.435  632.440  100.721 622.152  101.330 110.307 9.3386 109.314 9.4854 0.9933167      13.31098  
1 1 1 2   21  14 o 41.892  1.2970 86.691   5.3628  78.305   7.6144  94.944   7.5544  39.790  1.9387 43.823  1.7465 -4.032951      2.609377  
1 1 1 2   21  15 f 71.767  1.6106 254.593  11.409  248.746  16.667  259.749  15.651  70.872  2.3826 72.442  2.1889 -1.570030      3.235452  
1 1 1 2   21  16 o 25.160  4.6373 32.657   11.092  26.856   16.417  37.529   15.045  22.802  6.7891 26.771  5.8567 -3.969353      8.966189  
1 1 1 2   21  17 f 49.489  1.3642 121.039  6.6637  128.641  9.4793  113.612  9.3694  50.987  1.8836 47.909  1.9813 3.077671       2.733795  
1 1 1 2   21  18 o 50.830  1.2520 127.683  6.2814  127.052  8.8940  128.310  8.8727  50.669  1.7784 50.920  1.7653 -0.2511864     2.505787  
1 1 1 2   21  19 f 71.648  1.7391 254.119  12.298  269.034  17.250  238.701  17.539  73.624  2.3738 69.317  2.5635 4.307198       3.493724  
1 1 1 2   21  20 o 58.649  6.9467 181.553  39.432  164.790  55.525  198.609  56.008  53.443  10.896 59.536  9.8771 -6.093494      14.70611  
1 1 1 2   21  21 o 125.261 6.7441 825.410  83.075  823.452  117.701 827.353  117.272 120.832 9.9575 121.224 9.8872 -0.3922729     14.03240  
1 1 1 2   21  22 o 66.239  1.5616 217.364  10.210  238.512  14.821  198.266  14.084  69.264  2.1678 63.131  2.2603 6.133736       3.131827  
1 1 1 2   21  23 o 36.105  4.1557 66.999   14.540  78.862   26.692  61.994   17.338  37.739  7.4302 34.297  5.2918 3.441566       9.121947  
1 1 1 2   21  24 o 21.168  1.1917 22.242   2.4798  22.563   2.4951  -3.6418  22.419  21.320  1.1904 16.007  7.1061 5.313004       7.205075  
1 1 1 2   22  0  o 77.047  1.5766 293.670  11.990  291.162  16.494  296.479  17.459  76.634  2.1806 77.313  2.2878 -0.6788101     3.160538  
1 1 1 2   22  1  o 67.942  1.5578 228.301  10.447  223.330  14.734  233.326  14.814  67.123  2.2238 68.614  2.1874 -1.490585      3.119341  
1 1 1 2   22  2  o 19.924  7.2822 17.067   18.661  30.868   26.658  3.8042   26.132  25.219  8.7578 19.109  8.0699 6.110540       11.90892  
1 1 1 2   22  3  o 155.264 3.8364 1202.55  58.794  1150.85  63.898  1487.94  150.128 151.698 4.2675 168.442 9.0632 -16.74342      10.01761  
1 1 1 2   22  4  o 61.819  1.6982 188.969  10.362  204.247  15.076  175.289  14.265  64.209  2.3788 59.478  2.4299 4.730587       3.400483  
1 1 1 2   22  5  o 23.806  3.6107 28.825   8.2181  35.997   11.899  22.283   11.364  26.435  4.7341 20.684  5.4790 5.750481       7.240935  
1 1 1 2   22  6  o 85.579  1.6200 362.021  13.684  351.277  19.441  372.571  19.266  84.227  2.3385 86.753  2.2499 -2.526001      3.245095  
1 1 1 2   22  7  o 50.707  1.5962 127.084  7.9886  111.070  14.732  133.754  9.5080  47.193  3.1811 52.007  1.8522 -4.813435      3.681073  
1 1 1 2   22  8  o 60.455  2.0390 180.811  12.167  174.340  17.192  187.303  17.221  59.285  2.9379 61.460  2.8388 -2.174931      4.085330  
1 1 1 2   22  9  o 119.400 2.0224 705.273  23.835  701.085  33.670  709.480  33.745  118.900 2.8690 119.612 2.8583 -0.7119217     4.049767  
1 1 1 2   22  10 o 53.532  1.7676 141.691  9.3395  132.532  10.901  166.962  18.108  51.751  2.1342 57.903  3.1806 -6.152348      3.830236  
1 1 1 2   22  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   22  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   22  13 f 48.249  1.7765 115.133  8.4604  126.542  18.033  111.913  9.5802  50.280  3.6587 47.553  2.0411 2.727226       4.189548  
1 1 1 2   22  14 o 80.242  3.3533 320.351  26.558  344.295  75.170  316.936  28.389  80.395  9.6667 79.763  3.6060 0.6323776      10.31734  
1 1 1 2   22  15 f 56.316  1.2415 156.706  6.9009  152.108  9.7639  161.297  9.7547  55.447  1.7841 57.102  1.7307 -1.654514      2.485621  
1 1 1 2   22  16 o 62.134  2.3397 191.441  14.349  199.566  21.067  184.410  19.598  63.185  3.3904 60.757  3.2802 2.428673       4.717463  
1 1 1 2   22  17 f 42.089  1.8784 87.728   7.8035  87.091   8.7819  90.120   17.012  41.861  2.1325 42.186  4.1389 -0.3252373     4.655990  
1 1 1 2   22  18 o 73.642  1.8127 268.630  13.176  275.235  18.472  261.788  18.800  74.415  2.5149 72.552  2.6253 1.863541       3.635489  
1 1 1 2   22  19 o 107.325 6.7385 603.976  71.021  596.718  99.729  611.445  101.164 103.265 9.9060 104.514 9.9258 -1.248825      14.02317  
1 1 1 2   22  20 o 47.013  2.4792 110.377  11.464  237.475  52.810  104.091  11.744  65.697  8.3312 45.620  2.6190 20.07646       8.733179  
1 1 1 2   22  21 o 50.440  1.2320 125.876  6.1334  127.932  7.6450  122.162  10.275  50.816  1.5242 49.572  2.0999 1.244541       2.594761  
1 1 1 2   22  22 o 34.009  3.9814 59.417   13.112  52.800   19.877  64.515   17.446  30.988  6.6943 34.994  5.2098 -4.006458      8.482694  
1 1 1 2   22  23 o 36.231  3.8510 67.347   13.561  57.057   20.568  75.260   18.036  32.125  6.7033 37.882  4.9414 -5.756355      8.327737  
1 1 1 2   23  0  o 29.670  3.1236 44.402   9.0102  48.245   12.766  40.587   12.719  30.651  4.3408 27.948  4.7827 2.702875       6.458858  
1 1 1 2   23  1  f 59.639  6.7977 186.718  39.300  195.223  55.782  178.335  55.378  59.136  9.9073 56.166  10.371 2.970074       14.34286  
1 1 1 2   23  2  o 56.548  1.7846 158.359  9.9609  160.060  14.138  156.683  14.036  56.752  2.5239 56.149  2.5326 0.6032829      3.575527  
1 1 1 2   23  3  o 62.417  1.6718 192.825  10.300  202.192  14.542  183.396  14.590  63.832  2.3082 60.774  2.4322 3.057602       3.353117  
1 1 1 2   23  4  o 44.920  1.4875 99.794   6.5951  100.250  7.8062  98.658   12.327  45.003  1.7574 44.453  2.8242 0.5505638      3.326332  
1 1 1 2   23  5  o 71.254  1.7300 251.245  12.167  275.173  17.819  230.343  16.654  74.474  2.4240 68.130  2.4765 6.343903       3.465393  
1 1 1 2   23  6  o 110.789 1.8589 607.545  20.327  599.022  29.319  615.435  28.208  109.828 2.7046 111.357 2.5664 -1.529053      3.728438  
1 1 1 2   23  7  o 95.729  1.7873 453.460  16.888  446.658  23.902  460.240  23.864  94.879  2.5523 96.319  2.5101 -1.440247      3.579773  
1 1 1 2   23  8  o 56.134  1.4245 155.766  7.8926  148.132  9.2288  176.552  15.229  54.722  1.7086 59.650  2.5865 -4.928459      3.099936  
1 1 1 2   23  9  o 22.366  8.1314 22.211   23.223  30.623   30.670  10.906   35.554  25.785  9.3491 22.988  9.5390 2.797071       13.35663  
1 1 1 2   23  10 f 126.401 6.6611 818.877  82.812  775.357  117.031 862.522  117.198 120.297 9.9455 127.457 9.3818 -7.160019      13.67224  
1 1 1 2   23  11 o 107.679 2.0019 574.123  21.276  561.872  29.375  587.642  30.858  106.356 2.7983 108.748 2.8748 -2.392105      4.011846  
1 1 1 2   23  12 o 140.673 2.2983 981.069  31.911  981.598  44.593  980.514  45.685  140.406 3.2177 140.296 3.2991 0.1093292      4.608453  
1 1 1 2   23  13 o 55.990  1.7437 155.137  9.6364  150.421  11.329  167.479  18.327  55.100  2.0831 57.895  3.2199 -2.795372      3.834928  
1 1 1 2   23  14 o 18.246  5.5601 17.046   10.918  24.226   15.726  10.365   15.170  21.644  6.6865 16.879  6.4822 4.764454       9.312787  
1 1 1 2   23  15 o 137.070 6.7682 972.160  91.569  970.340  129.424 973.984  129.573 133.210 9.9144 133.471 9.9061 -0.2612000     14.01518  
1 1 1 2   23  16 o 30.366  3.9662 47.077   11.604  50.776   16.784  43.691   16.060  31.059  5.6843 28.708  5.8660 2.351559       8.168319  
1 1 1 2   23  17 o 37.905  4.0844 73.226   15.040  54.031   18.416  111.671  26.062  31.864  6.0772 46.235  5.8412 -14.37158      8.429200  
1 1 1 2   23  18 o 130.458 6.8114 899.020  87.404  889.041  123.708 908.968  123.509 124.926 10.120 126.573 9.9667 -1.647209      14.20352  
1 1 1 2   23  19 o 45.803  2.1037 104.283  9.5105  151.280  26.507  97.339   10.189  54.058  5.0255 44.152  2.3464 9.905254       5.546245  
1 1 1 2   23  20 o 60.183  1.3925 179.371  8.2716  190.469  10.115  156.970  14.371  61.973  1.6536 56.060  2.5972 5.912506       3.078906  
1 1 1 2   23  21 o 82.704  2.4508 341.425  20.006  397.898  37.984  319.745  23.535  88.207  4.3628 79.816  2.9874 8.390846       5.287571  
1 1 1 2   23  22 f 52.849  4.3326 144.055  22.402  128.617  30.335  162.573  33.224  48.659  6.4769 54.950  6.2361 -6.290638      8.991056  
1 1 1 2   23  23 o 27.839  8.2557 45.769   24.313  52.190   34.954  39.752   33.840  29.087  10.032 26.343  9.7756 2.743896       14.00759  
1 1 1 2   24  0  o 127.776 6.8151 861.805  85.641  866.149  121.009 857.446  121.220 123.594 10.005 122.842 10.087 0.7525330      14.20724  
1 1 1 2   24  1  o 36.932  2.4389 68.148   8.8406  74.969   12.536  61.400   12.469  38.550  3.3272 34.768  3.6900 3.781929       4.968505  
1 1 1 2   24  2  o 15.517  5.0440 11.962   8.8482  18.763   13.031  6.1426   12.053  19.137  6.1114 14.347  5.6982 4.790205       8.355782  
1 1 1 2   24  3  o 34.183  2.7353 58.588   9.1516  60.745   13.510  56.760   12.441  34.498  4.0442 33.386  3.8456 1.112122       5.580667  
1 1 1 2   24  4  o 19.538  4.8803 20.154   9.3839  28.567   16.314  15.994   11.472  23.116  6.7371 17.795  5.7396 5.320753       8.850533  
1 1 1 2   24  5  o 72.416  1.7759 259.823  12.694  265.226  18.378  254.893  17.554  73.013  2.5501 71.592  2.4841 1.421623       3.560032  
1 1 1 2   24  6  o 44.857  1.5840 99.606   7.0132  104.061  14.640  98.279   7.9896  45.511  3.2810 44.536  1.8175 0.9742165      3.750786  
1 1 1 2   24  7  o 3.6560  1.6109 -0.3391  1.1314  -0.3448  1.1368  0.2519   11.547  3.6617  1.6141 12.433  5.3116 -8.771490      5.551453  
1 1 1 2   24  8  o 24.269  8.6665 28.591   26.240  38.893   32.246  8.3988   45.145  27.508  9.6275 24.411  10.468 3.096701       14.22180  
1 1 1 2   24  9  o 44.962  4.3293 102.755  18.975  96.140   20.634  139.008  48.306  43.295  4.9157 49.546  10.217 -6.251133      11.33822  
1 1 1 2   24  10 o 72.359  1.8440 259.392  13.170  245.496  16.774  281.725  21.264  70.297  2.4175 75.206  2.8646 -4.908699      3.748367  
1 1 1 2   24  11 o 63.644  1.8953 200.729  11.906  197.982  14.572  206.245  20.649  63.139  2.3383 64.170  3.2710 -1.031673      4.020817  
1 1 1 2   24  12 o 41.684  3.0495 87.147   12.460  82.254   17.360  92.345   17.893  40.123  4.4590 42.583  4.3168 -2.459698      6.206240  
1 1 1 2   24  13 o 48.134  2.8687 115.918  13.567  109.939  18.768  122.463  19.636  46.533  4.1291 49.144  4.0851 -2.611465      5.808401  
1 1 1 2   24  14 o 32.442  0.9485 52.006   3.0372  49.255   4.2967  54.752   4.2938  31.552  1.3797 33.270  1.3075 -1.718344      1.900823  
1 1 1 2   24  15 o 78.746  2.6253 309.054  20.405  301.578  24.802  324.713  35.896  77.590  3.2386 79.804  4.5762 -2.214691      5.606240  
1 1 1 2   24  16 o 38.409  8.2958 82.978   30.531  89.270   42.807  76.464   43.556  38.437  10.823 35.541  11.153 2.896347       15.54100  
1 1 1 2   24  17 f 23.281  7.8840 28.681   21.568  21.402   29.105  37.548   32.122  22.631  8.8970 26.535  9.5760 -3.903938      13.07123  
1 1 1 2   24  18 o 56.385  2.7154 159.010  15.112  168.237  21.690  150.304  21.068  57.499  3.8439 54.284  3.9594 3.214344       5.518364  
1 1 1 2   24  19 o 20.883  1.5902 21.753   3.2533  22.099   3.2993  9.6200   19.539  21.048  1.6001 17.656  7.1710 3.392693       7.347318  
1 1 1 2   24  20 o 28.660  1.3460 40.689   3.8077  43.320   4.6445  35.296   6.6501  29.507  1.6007 26.441  2.5810 3.065371       3.037075  
1 1 1 2   24  21 o 31.330  1.4108 48.659   4.3627  60.847   6.2215  36.867   6.1194  34.939  1.8103 27.074  2.3121 7.864370       2.936455  
1 1 1 2   24  22 o 28.610  8.6110 49.514   26.306  57.123   37.622  42.236   36.797  29.861  10.402 26.783  10.140 3.077873       14.52696  
1 1 1 2   25  2  o 33.971  8.0811 65.266   26.702  66.043   37.707  64.484   37.818  33.256  10.367 32.889  10.402 0.3671799      14.68581  
1 1 1 2   25  3  o 32.120  2.9326 52.015   9.1948  50.857   13.109  53.136   12.901  31.366  4.3514 32.131  4.1658 -0.7652168     6.023991  
1 1 1 2   25  4  o 66.336  1.9770 218.472  12.944  230.219  18.292  206.687  18.321  67.914  2.7287 64.306  2.8865 3.607475       3.972096  
1 1 1 2   25  5  o 78.737  1.8929 307.616  14.711  319.213  21.031  296.505  20.586  79.996  2.6635 77.086  2.7056 2.910797       3.796602  
1 1 1 2   25  6  o 36.546  9.8820 78.347   36.502  59.348   47.098  106.925  57.764  32.162  11.597 40.867  12.847 -8.705494      17.30688  
1 1 1 2   25  7  o 19.893  7.7459 15.453   21.890  7.2722   29.152  26.029   33.144  20.106  8.5090 24.429  9.5260 -4.323462      12.77296  
1 1 1 2   25  8  o 12.495  5.1260 3.1788   10.111  10.892   13.886  -5.5260  14.751  16.451  6.2292 12.660  5.6820 3.791187       8.431321  
1 1 1 2   25  9  o 50.582  1.2092 126.550  6.0372  106.392  9.7975  138.890  7.6654  46.268  2.1454 52.963  1.4663 -6.694988      2.598618  
1 1 1 2   25  10 o 32.246  1.3627 51.463   4.3371  30.541   15.145  53.332   4.5266  23.728  6.3441 32.824  1.3972 -9.095663      6.496097  
1 1 1 2   25  11 o 46.635  1.7772 107.864  8.1807  109.231  17.813  107.499  9.2094  46.331  3.9323 46.524  2.0055 -0.1930428     4.414148  
1 1 1 2   25  12 o 24.043  1.2239 28.671   2.8948  25.531   3.9514  32.308   4.2529  22.617  1.7845 25.471  1.7015 -2.853493      2.465669  
1 1 1 2   25  13 o 54.026  1.2347 144.417  6.5844  138.316  8.2503  155.121  10.927  52.829  1.5822 55.880  1.9812 -3.051163      2.535425  
1 1 1 2   25  14 o 41.723  1.7392 86.366   7.1624  85.864   7.7293  89.416   19.053  41.582  1.8832 41.523  4.7335 0.5964661E-01  5.094346  
1 1 1 2   25  15 o 74.555  7.2074 302.440  52.377  334.334  74.697  271.591  73.463  74.927  10.379 65.983  11.709 8.943733       15.64654  
1 1 1 2   25  16 o 23.774  2.2058 28.390   5.1171  26.492   5.3822  46.248   16.506  22.917  2.4158 29.186  5.9321 -6.268856      6.405195  
1 1 1 2   25  17 o 36.595  6.0205 72.372   20.990  72.372   20.990  0.0000   0.0000  36.595  6.0205 ?       ?      0.000000       6.020545  
1 1 1 2   25  18 o 27.302  1.6621 37.140   4.4578  30.779   6.2530  43.714   6.3568  24.663  2.6082 29.531  2.1966 -4.867765      3.409968  
1 1 1 2   25  19 o 67.009  2.4965 224.756  16.512  234.787  23.808  215.459  22.920  67.910  3.5643 65.036  3.5844 2.873871       5.054856  
1 1 1 2   25  20 o 20.534  0.9467 20.856   1.9189  20.885   2.7173  20.826   2.7101  20.481  1.3517 20.452  1.3501 0.2882957E-01  1.910488  
1 1 1 2   26  5  o 40.674  8.3547 94.795   32.419  105.766  48.364  85.844   43.686  40.573  11.532 36.848  11.098 3.724964       16.00515  
1 1 1 2   26  6  o 68.794  2.7397 236.808  18.603  231.412  19.313  306.210  69.263  67.957  2.8792 72.064  10.008 -4.107208      10.41363  
1 1 1 2   26  7  o 89.397  2.0755 397.522  18.314  406.864  25.555  387.657  26.261  90.119  2.8729 87.895  3.0270 2.224823       4.173244  
1 1 1 2   26  8  o 33.611  4.5421 58.768   14.683  35.675   24.036  72.515   18.545  25.359  8.3168 37.118  5.2049 -11.75913      9.811217  
1 1 1 2   26  9  o 62.992  2.4425 197.983  15.186  194.665  20.842  201.738  22.172  62.052  3.4161 63.102  3.5745 -1.049873      4.944403  
1 1 1 2   26  10 o 29.468  1.6521 43.209   4.7861  43.122   4.9506  44.449   18.718  29.430  1.7117 28.300  6.7883 1.129816       7.000793  
1 1 1 2   26  11 o 20.086  1.5648 20.123   3.0778  14.592   24.860  20.209   3.1016  20.156  8.1228 20.128  1.5738 0.2866173E-01  8.273817  
1 1 1 2   26  12 o 13.750  1.1424 9.4193   1.5365  12.126   2.2364  6.9997   2.1145  15.573  1.4724 11.723  1.8918 3.850390       2.397271  
1 1 1 2   26  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   26  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 2   26  15 o 42.186  1.0068 88.024   4.1923  80.775   5.8898  95.468   5.9686  40.360  1.4785 43.891  1.3777 -3.531021      2.020883  
1 1 1 2   26  16 o 19.827  5.9218 21.397   12.476  25.855   18.209  17.453   17.129  21.759  7.2439 18.992  6.9714 2.767296       10.05359  
1 1 1 2   26  17 o 30.192  1.2949 45.171   3.8590  46.848   5.5350  43.585   5.3831  30.631  1.8393 29.538  1.8558 1.093088       2.612844  
1 1 1 2   26  18 o 9.6318  3.4896 3.9871   4.2716  3.2994   4.2980  59.427   38.590  9.2358  3.4727 30.184  10.534 -20.94790      11.09148  
1 1 1 2   26  19 o 50.557  8.1721 151.740  39.389  128.890  54.858  176.057  56.591  41.450  12.426 50.296  11.631 -8.845951      17.02008  
1 1 1 2   27  9  o 61.875  7.5091 215.639  44.921  211.068  63.673  220.169  63.384  56.421  11.812 58.120  11.456 -1.699726      16.45529  
1 1 1 2   27  10 o 59.640  1.9751 177.144  11.627  169.301  13.763  196.693  21.728  58.180  2.3966 62.123  3.5583 -3.942680      4.290153  
1 1 1 2   27  11 o 24.342  1.8508 29.647   4.4135  34.473   15.936  29.246   4.5932  24.776  6.4527 24.159  1.9426 0.6166248      6.738806  
1 1 1 2   27  12 o 43.997  8.3581 113.762  34.969  92.548   48.268  137.199  50.733  36.542  11.772 45.362  11.357 -8.819954      16.35702  
1 1 1 2   27  13 o 20.086  2.4989 20.516   4.8470  19.764   4.8844  69.059   39.234  19.691  2.5748 32.412  10.625 -12.72111      10.93298  
1 1 1 2   27  14 o 19.591  1.2755 19.101   2.4530  24.384   3.5255  14.144   3.4153  22.093  1.6282 16.703  2.1192 5.389837       2.672461  
1 1 1 2   27  15 o 32.052  5.0730 55.279   15.515  75.457   26.380  44.609   19.184  35.839  7.6878 27.761  7.0019 8.077299       10.39849  
1 1 1 2   27  16 f 47.766  10.688 152.496  49.130  127.380  86.953  164.275  59.546  36.199  14.961 46.903  12.596 -10.70394      19.55729  
1 1 1 3   -23 0  f 34.017  1.5288 57.300   5.1330  55.363   5.6061  67.342   12.767  33.380  1.7072 36.434  3.5970 -3.053757      3.981637  
1 1 1 3   -23 1  o 81.738  1.7526 331.259  14.139  343.900  20.233  319.193  19.768  83.095  2.4668 80.044  2.5021 3.051025       3.513656  
1 1 1 3   -22 0  o 52.929  1.5186 138.644  7.9337  148.033  13.492  133.681  9.8089  54.561  2.5052 51.931  1.9137 2.630886       3.152507  
1 1 1 3   -22 1  o 55.462  1.6975 152.346  9.2924  155.019  10.555  143.133  19.595  55.920  1.9123 53.271  3.7506 2.649433       4.209954  
1 1 1 3   -22 2  o 77.774  1.6051 299.492  12.322  299.675  17.142  299.296  17.723  77.680  2.2358 77.613  2.3135 0.6642914E-01  3.217309  
1 1 1 3   -22 3  o 30.599  1.6703 46.516   5.0256  58.785   17.618  45.429   5.2435  33.448  5.5297 30.226  1.7652 3.221329       5.804569  
1 1 1 3   -21 0  o 51.237  3.1184 131.197  15.696  129.419  16.528  147.528  50.095  50.847  3.3113 51.540  10.208 -0.6931114     10.73198  
1 1 1 3   -21 1  o 101.002 1.6898 504.900  16.846  502.303  23.919  507.456  23.731  100.593 2.4090 101.116 2.3777 -0.5222702     3.384806  
1 1 1 3   -21 2  o 49.253  1.3876 119.968  6.7459  127.353  11.588  116.183  8.2967  50.654  2.3177 48.442  1.7352 2.211803       2.895288  
1 1 1 3   -21 3  o 90.332  1.5534 403.772  13.850  398.169  19.521  409.452  19.653  89.583  2.2077 90.847  2.1917 -1.263939      3.110910  
1 1 1 3   -21 4  o 16.900  5.9024 13.295   12.117  16.824   27.389  12.437   13.511  21.782  8.6092 16.971  6.1973 4.810549       10.60778  
1 1 1 3   -21 5  o 79.934  6.6577 334.326  52.050  359.595  73.817  309.340  73.403  80.697  9.4463 74.056  10.323 6.640640       13.99251  
1 1 1 3   -20 0  o 111.971 1.7546 619.998  19.392  622.827  28.298  617.494  26.627  112.099 2.5575 111.644 2.4163 0.4553146      3.518442  
1 1 1 3   -20 1  o 102.616 2.2225 521.535  22.511  516.819  23.199  597.479  93.097  102.138 2.3012 106.697 8.9218 -4.558609      9.213794  
1 1 1 3   -20 2  o 44.430  1.6425 97.632   7.2032  94.918   10.207  100.325  10.167  43.692  2.3757 44.933  2.3001 -1.241043      3.306728  
1 1 1 3   -20 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -20 4  o 82.238  7.6891 355.288  61.690  339.878  106.810 363.001  75.568  74.541  15.036 81.848  9.5326 -7.306717      17.80303  
1 1 1 3   -20 5  o 64.819  1.4615 207.790  9.3506  199.869  12.598  217.506  13.953  63.511  2.0097 66.237  2.1341 -2.726006      2.931464  
1 1 1 3   -20 6  o 14.718  3.8992 11.247   5.7548  10.019   8.0209  12.550   8.2615  14.432  4.8078 15.737  4.8440 -1.304743      6.824914  
1 1 1 3   -19 0  o 74.961  1.4568 277.598  10.779  266.958  15.121  288.588  15.368  73.472  2.0852 76.394  2.0381 -2.922096      2.915794  
1 1 1 3   -19 1  o 31.095  8.0187 51.121   24.770  41.125   34.782  61.408   35.284  29.135  10.010 34.023  9.9058 -4.887774      14.08289  
1 1 1 3   -19 2  o 49.055  7.0149 124.344  32.999  97.202   46.552  151.756  46.783  42.156  11.052 53.523  9.1865 -11.36664      14.37170  
1 1 1 3   -19 3  o 18.531  3.2658 17.560   5.7553  11.130   8.2350  23.701   8.0467  15.096  4.8623 21.478  3.9409 -6.381735      6.258807  
1 1 1 3   -19 4  o 23.507  2.6017 27.738   5.9354  25.224   8.7216  29.907   8.1006  22.119  4.1471 24.268  3.4816 -2.148436      5.414815  
1 1 1 3   -19 5  o 120.324 1.7776 716.388  21.112  719.620  30.009  713.221  29.706  120.434 2.5245 119.901 2.5101 0.5330124      3.559964  
1 1 1 3   -19 6  o 52.752  1.3948 137.574  7.2625  132.249  10.210  143.028  10.333  51.674  2.0018 53.743  1.9479 -2.069683      2.793097  
1 1 1 3   -19 7  o 65.503  1.3699 212.118  8.8568  217.387  12.506  206.816  12.545  66.256  1.9124 64.619  1.9668 1.637405       2.743254  
1 1 1 3   -19 8  o 49.480  1.6201 121.150  7.9123  113.393  10.178  133.001  12.579  47.821  2.1563 51.754  2.4625 -3.932819      3.273138  
1 1 1 3   -18 0  o 62.079  6.7166 195.555  40.499  190.495  56.997  200.714  57.557  60.319  9.9182 62.015  9.7226 -1.696705      13.88885  
1 1 1 3   -18 1  o 77.913  1.6110 299.893  12.389  292.879  15.775  311.181  20.012  76.971  2.0764 79.305  2.5566 -2.334007      3.293615  
1 1 1 3   -18 2  o 77.233  1.4123 294.624  10.766  284.434  15.299  304.621  15.153  75.850  2.0435 78.502  1.9556 -2.651344      2.828478  
1 1 1 3   -18 3  o 56.836  1.4485 159.579  8.1259  157.642  10.145  163.046  13.574  56.474  1.8199 57.402  2.3957 -0.9276237     3.008592  
1 1 1 3   -18 4  o 27.314  2.0690 37.113   5.5367  32.362   7.5104  42.768   8.1943  25.363  3.0620 29.235  2.8770 -3.871384      4.201585  
1 1 1 3   -18 5  o 50.455  1.4000 125.788  6.9723  118.847  9.9721  132.426  9.7522  49.009  2.0615 51.743  1.9095 -2.733608      2.809959  
1 1 1 3   -18 6  o 100.263 1.5923 497.020  15.758  501.753  21.963  491.998  22.622  100.655 2.2106 99.657  2.2998 0.9975510      3.189984  
1 1 1 3   -18 7  o 21.934  2.5747 24.190   5.4681  23.895   8.2266  24.424   7.3189  21.530  4.0190 21.873  3.5086 -0.3437347     5.335054  
1 1 1 3   -18 8  o 19.678  2.9435 19.665   5.5416  16.892   7.9075  22.341   7.7683  18.001  4.4707 20.812  3.9255 -2.811329      5.949558  
1 1 1 3   -18 9  o 9.9095  4.0789 1.5753   6.4287  0.8025   7.8170  3.1903   11.300  10.523  4.4272 13.189  5.4160 -2.666614      6.995192  
1 1 1 3   -17 0  o 198.507 2.7283 1949.34  53.456  1946.66  83.922  1951.17  69.344  198.024 4.2936 198.439 3.5404 -0.4149017     5.565022  
1 1 1 3   -17 1  o 76.827  1.4207 291.483  10.773  296.447  15.286  286.584  15.185  77.453  1.9995 76.153  2.0202 1.300484       2.842417  
1 1 1 3   -17 2  o 57.491  1.4017 163.225  7.9539  169.328  11.441  157.515  11.066  58.536  1.9801 56.457  1.9858 2.078957       2.804299  
1 1 1 3   -17 3  o 164.797 2.1661 1342.54  35.234  1351.89  49.806  1333.17  49.851  165.233 3.0539 164.081 3.0781 1.152069       4.336010  
1 1 1 3   -17 4  o 104.250 1.5271 536.843  15.713  535.212  22.005  538.540  22.445  104.046 2.1427 104.365 2.1789 -0.3198166     3.055924  
1 1 1 3   -17 5  o 24.381  2.2394 29.649   5.3290  35.259   7.4276  23.698   7.6501  26.525  2.8834 21.543  3.7329 4.982220       4.716870  
1 1 1 3   -17 6  o 59.035  1.2779 172.142  7.4462  169.818  10.465  174.526  10.598  58.610  1.8089 59.417  1.8070 -0.8068390     2.556876  
1 1 1 3   -17 7  o 107.783 1.5583 574.183  16.578  573.263  23.328  575.121  23.563  107.617 2.1961 107.789 2.2147 -0.1714630     3.118974  
1 1 1 3   -17 8  o 85.091  1.4188 357.846  11.916  366.755  16.979  349.199  16.727  86.083  1.9983 83.995  2.0176 2.087898       2.839713  
1 1 1 3   -17 9  o 86.200  6.4639 380.409  54.596  390.374  77.345  370.513  77.077  85.734  9.2885 83.347  9.5411 2.387764       13.31571  
1 1 1 3   -17 10 o 26.727  7.5598 37.951   20.836  30.397   29.300  45.679   29.635  25.492  9.1521 29.362  9.1969 -3.869860      12.97474  
1 1 1 3   -16 0  o 141.952 1.9431 995.529  27.225  1022.49  36.833  963.063  40.421  143.801 2.5951 139.523 2.9351 4.278397       3.917826  
1 1 1 3   -16 1  o 108.042 1.5722 576.499  16.766  575.377  23.705  577.621  23.715  107.899 2.2259 108.109 2.2225 -0.2103729     3.145435  
1 1 1 3   -16 2  o 53.438  1.3125 141.002  6.9231  142.101  10.468  140.148  9.2297  53.629  1.9776 53.266  1.7555 0.3632660      2.644393  
1 1 1 3   -16 3  o 89.298  1.4290 393.782  12.595  393.394  17.769  394.174  17.855  89.227  2.0176 89.315  2.0254 -0.8801270E-01 2.858813  
1 1 1 3   -16 4  o 206.526 2.5917 2109.44  52.832  2061.90  74.497  2157.54  74.938  203.963 3.7005 208.655 3.6386 -4.691803      5.189697  
1 1 1 3   -16 5  o 56.490  1.2778 157.576  7.1250  142.102  9.6572  176.062  10.555  53.630  1.8244 59.696  1.7914 -6.066544      2.556816  
1 1 1 3   -16 6  o 113.770 1.6125 639.419  18.107  643.532  25.451  635.203  25.767  114.081 2.2603 113.336 2.3034 0.7448425      3.227140  
1 1 1 3   -16 7  o 44.135  1.4637 96.224   6.3765  95.204   8.4693  97.559   9.6886  43.884  1.9553 44.413  2.2102 -0.5288277     2.950910  
1 1 1 3   -16 8  o 79.794  6.4508 323.154  50.372  339.746  71.262  306.586  71.211  80.762  9.0980 76.425  9.6556 4.337387       13.26662  
1 1 1 3   -16 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -16 10 o 21.889  2.1157 23.941   4.5142  24.763   6.7517  23.277   6.0705  22.098  3.1877 21.455  2.9443 0.6430645      4.339331  
1 1 1 3   -16 11 o 62.957  1.1860 195.816  7.3700  209.068  10.439  182.644  10.407  65.022  1.6265 60.766  1.7351 4.256126       2.378270  
1 1 1 3   -16 12 o 17.067  6.3614 11.675   14.361  1.8275   20.615  20.960   20.018  16.802  7.1356 21.331  7.5746 -4.528570      10.40630  
1 1 1 3   -15 0  o 167.357 2.5687 1384.58  42.431  1415.10  67.007  1364.15  54.823  168.987 4.0173 166.021 3.3456 2.966064       5.227924  
1 1 1 3   -15 1  o 67.624  1.2145 225.774  8.1066  215.911  11.629  235.096  11.306  66.116  1.7820 68.995  1.6602 -2.878738      2.435580  
1 1 1 3   -15 2  o 208.192 2.6034 2142.86  53.497  2133.22  75.597  2152.54  75.716  207.539 3.6904 208.479 3.6795 -0.9396210     5.211340  
1 1 1 3   -15 3  o 56.252  1.2090 156.221  6.7126  157.932  10.026  154.832  9.0367  56.546  1.7965 55.992  1.6351 0.5535316      2.429173  
1 1 1 3   -15 4  o 24.286  2.2145 29.389   5.2502  31.327   7.0102  26.913   7.9232  25.000  2.8944 23.039  3.6021 1.961140       4.620880  
1 1 1 3   -15 5  o 45.933  1.3463 104.180  6.1039  97.316   8.4043  111.842  8.8798  44.383  1.9185 47.581  1.8908 -3.198002      2.693600  
1 1 1 3   -15 6  o 77.370  1.2628 295.566  9.6435  291.793  13.558  299.430  13.720  76.856  1.7872 77.855  1.7853 -0.9993820     2.526191  
1 1 1 3   -15 7  o 101.839 6.4101 520.831  64.105  530.220  90.778  511.491  90.540  101.869 9.1249 99.983  9.2803 1.886421       13.01493  
1 1 1 3   -15 8  o 151.260 7.8491 1159.36  116.784 1178.33  143.929 1122.81  199.804 151.481 9.6768 144.701 14.171 6.779739       17.16002  
1 1 1 3   -15 9  o 115.812 1.6005 662.728  18.295  679.380  25.765  645.791  25.984  117.191 2.2274 114.247 2.3042 2.943153       3.204817  
1 1 1 3   -15 10 o 86.896  1.3067 373.022  11.208  384.869  15.922  361.386  15.780  88.224  1.8284 85.486  1.8701 2.737610       2.615398  
1 1 1 3   -15 11 o 49.638  1.0777 121.692  5.2801  117.360  7.3583  126.290  7.5812  48.727  1.5299 50.548  1.5195 -1.820484      2.156288  
1 1 1 3   -15 12 o 97.249  1.3826 467.371  13.271  482.344  18.468  451.383  19.084  98.737  1.8950 95.498  2.0246 3.238464       2.773059  
1 1 1 3   -15 13 o 15.925  2.6677 12.922   4.0449  11.103   5.2857  15.494   6.2835  14.638  3.6663 17.291  3.7866 -2.652816      5.270689  
1 1 1 3   -14 0  f 128.002 1.7108 809.128  21.614  810.493  30.550  807.759  30.585  128.069 2.4168 127.852 2.4236 0.2166595      3.422673  
1 1 1 3   -14 1  o 90.017  1.3417 400.062  11.921  387.526  17.370  411.222  16.389  88.573  1.9869 91.248  1.8197 -2.674408      2.694260  
1 1 1 3   -14 2  o 59.393  1.1155 174.139  6.5393  183.171  9.3519  165.497  9.1474  60.905  1.5557 57.891  1.6009 3.013714       2.232216  
1 1 1 3   -14 3  o 39.124  1.0009 75.562   3.8652  66.080   6.8912  79.914   4.6688  36.526  1.9182 40.234  1.1757 -3.708050      2.249791  
1 1 1 3   -14 4  o 146.062 1.8875 1053.79  27.212  993.976  38.227  1115.23  38.745  141.790 2.7314 150.201 2.6135 -8.410843      3.780325  
1 1 1 3   -14 5  o 75.509  6.2600 286.000  46.235  306.180  65.717  266.221  65.061  77.576  8.7344 72.107  9.3622 5.469238       12.80396  
1 1 1 3   -14 6  f 48.529  12.946 125.453  63.155  0.0000   0.0000  125.453  63.155  ?       ?      48.529  12.946 0.000000       12.94571  
1 1 1 3   -14 7  o 107.421 6.3940 577.822  67.488  562.437  95.513  593.161  95.373  105.136 9.2999 108.084 9.0223 -2.947449      12.95729  
1 1 1 3   -14 8  f 115.165 1.5668 655.041  17.810  645.116  25.040  665.202  25.336  114.247 2.2206 116.012 2.2126 -1.765564      3.134705  
1 1 1 3   -14 9  o 50.226  1.0978 124.551  5.4421  121.927  7.3753  127.688  8.0633  49.685  1.5039 50.842  1.6068 -1.157448      2.200789  
1 1 1 3   -14 10 o 74.663  1.3511 275.329  9.9566  262.845  18.030  280.806  11.943  72.880  2.5064 75.389  1.6049 -2.509079      2.976198  
1 1 1 3   -14 11 o 47.035  1.1578 109.261  5.3754  99.532   8.5451  115.632  6.9149  44.864  1.9297 48.377  1.4481 -3.513355      2.412622  
1 1 1 3   -14 12 o 55.552  1.0433 152.405  5.7207  162.351  7.9593  141.777  8.2279  57.320  1.4068 53.558  1.5564 3.762238       2.097996  
1 1 1 3   -14 13 o 71.249  1.1262 250.740  7.9201  256.263  10.775  244.251  11.681  72.004  1.5162 70.284  1.6838 1.720314       2.265779  
1 1 1 3   -14 14 f 114.113 1.5358 643.789  17.298  623.320  23.780  666.795  25.210  112.190 2.1474 116.026 2.2013 -3.836334      3.075270  
1 1 1 3   -13 0  o 196.444 2.5300 1906.66  49.055  1893.02  69.360  1920.31  69.388  195.627 3.5921 197.035 3.5679 -1.408142      5.062893  
1 1 1 3   -13 1  o 40.410  1.2932 80.617   5.1583  86.080   7.3801  75.400   7.2126  41.751  1.7909 39.074  1.8701 2.676846       2.589309  
1 1 1 3   -13 2  o 37.072  1.3357 67.852   4.8874  66.370   6.9507  69.301   6.8737  36.607  1.9305 37.460  1.8590 -0.8526039     2.680072  
1 1 1 3   -13 3  o 154.383 6.6062 1187.18  100.666 1147.30  142.207 1227.24  142.518 150.708 9.6100 156.002 9.2979 -5.293533      13.37169  
1 1 1 3   -13 4  o 101.483 6.2793 514.563  62.590  511.585  88.596  517.530  88.435  100.539 9.0239 101.146 8.9506 -0.6067276     12.70996  
1 1 1 3   -13 5  o 103.457 6.3788 535.022  64.820  534.568  91.699  535.475  91.641  102.735 9.1384 102.827 9.1240 -0.9167480E-01 12.91347  
1 1 1 3   -13 6  o 183.284 2.3096 1659.90  41.783  1713.74  59.075  1606.02  59.104  186.125 3.2156 180.166 3.3236 5.959198       4.624567  
1 1 1 3   -13 7  o 32.401  1.7484 51.998   5.5706  49.092   29.998  52.102   5.6692  30.984  9.1660 32.431  1.7778 -1.446735      9.336800  
1 1 1 3   -13 8  f 177.956 2.3958 1565.15  42.083  1514.73  59.372  1616.07  59.657  174.931 3.4386 180.702 3.3448 -5.771515      4.797016  
1 1 1 3   -13 9  o 234.657 2.8872 2723.81  66.872  2694.67  94.448  2753.10  94.696  233.123 4.1046 235.646 4.0714 -2.522629      5.781337  
1 1 1 3   -13 10 o 132.529 2.0054 867.941  26.233  859.181  32.011  885.851  45.772  131.815 2.4604 133.716 3.4680 -1.900925      4.252142  
1 1 1 3   -13 11 o 73.382  1.0862 265.878  7.8672  258.105  10.894  274.350  11.373  72.284  1.5269 74.523  1.5462 -2.239174      2.173038  
1 1 1 3   -13 12 o 146.628 1.9416 1063.06  28.101  1060.76  39.503  1065.41  39.982  146.334 2.7350 146.649 2.7622 -0.3147430     3.887106  
1 1 1 3   -13 13 o 50.638  1.0431 126.630  5.2134  124.473  6.7886  129.731  8.1397  50.193  1.3703 51.232  1.6097 -1.038345      2.113916  
1 1 1 3   -13 14 o 28.377  1.2630 39.780   3.5376  34.298   4.5115  48.533   5.7003  26.279  1.7493 31.270  1.8551 -4.991680      2.549851  
1 1 1 3   -13 15 f 48.106  7.9164 122.043  36.281  117.556  44.293  131.192  63.249  46.405  9.9676 47.840  13.038 -1.435329      16.41185  
1 1 1 3   -12 0  f 128.111 2.3711 810.581  29.982  772.745  41.974  849.996  42.841  125.036 3.4011 131.142 3.3097 -6.106377      4.745680  
1 1 1 3   -12 1  f 209.736 7.1687 2187.14  148.405 2152.05  209.771 2222.30  209.983 207.247 10.255 210.649 10.099 -3.402802      14.39288  
1 1 1 3   -12 2  o 81.368  6.2234 330.666  49.603  323.754  69.707  337.757  70.601  79.994  8.9837 81.746  8.8936 -1.751022      12.64136  
1 1 1 3   -12 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -12 4  o 83.066  1.2952 340.635  10.619  336.775  15.277  344.244  14.772  82.579  1.8742 83.492  1.7925 -0.9130402     2.593406  
1 1 1 3   -12 5  f 132.987 1.9089 873.463  25.057  873.637  31.207  873.146  42.035  132.973 2.3777 132.874 3.2051 0.9974670E-01  3.990728  
1 1 1 3   -12 6  o 94.373  1.2850 439.694  11.970  427.954  16.704  452.085  17.161  93.089  1.8180 95.677  1.8172 -2.588524      2.570487  
1 1 1 3   -12 7  o 184.171 2.3078 1675.90  41.952  1700.91  59.267  1650.78  59.392  185.438 3.2380 182.677 3.2939 2.760361       4.618967  
1 1 1 3   -12 8  o 159.408 2.7480 1256.19  43.237  1278.05  147.379 1254.13  45.227  159.088 9.4277 159.264 2.8770 -0.1759949     9.856926  
1 1 1 3   -12 9  f 216.459 2.8937 2316.94  61.824  2353.57  87.377  2280.21  87.488  217.954 4.0616 214.516 4.1320 3.438110       5.793935  
1 1 1 3   -12 10 o 97.959  1.3319 473.795  12.878  473.941  18.027  473.642  18.402  97.952  1.8646 97.919  1.9040 0.3279877E-01  2.664925  
1 1 1 3   -12 11 o 189.999 2.6725 1785.45  50.119  1860.15  83.294  1743.06  62.750  193.584 4.3592 187.606 3.3887 5.977844       5.521433  
1 1 1 3   -12 12 o 105.320 1.4077 547.834  14.633  575.802  20.663  519.693  20.727  107.938 1.9394 102.536 2.0479 5.402138       2.820544  
1 1 1 3   -12 13 o 52.172  0.9818 134.393  5.0560  134.329  7.2896  134.452  7.0187  52.146  1.4163 52.172  1.3630 -0.2581024E-01 1.965567  
1 1 1 3   -12 14 o 79.617  1.1186 313.060  8.7905  331.724  12.200  292.908  12.677  81.933  1.5086 76.979  1.6684 4.953712       2.249348  
1 1 1 3   -12 15 o 96.173  2.7696 458.616  26.291  366.586  112.665 463.916  27.037  80.151  14.786 96.717  2.8322 -16.56651      15.05481  
1 1 1 3   -12 16 o 53.089  1.4712 139.305  7.7091  140.809  7.8202  87.493   45.895  53.374  1.4844 39.745  11.212 13.62903       11.31009  
1 1 1 3   -11 0  o 199.820 7.0317 1979.92  138.686 2050.71  196.193 1909.21  196.071 202.908 9.7960 195.449 10.199 7.458298       14.14142  
1 1 1 3   -11 1  o 214.559 3.5060 2274.92  74.249  2331.67  105.088 2218.33  104.922 217.083 4.9045 211.729 5.0206 5.354721       7.018524  
1 1 1 3   -11 2  o 242.096 3.2027 2896.11  76.531  2918.08  108.011 2873.96  108.453 242.866 4.5057 241.016 4.5589 1.849838       6.409783  
1 1 1 3   -11 3  o 132.623 1.7977 868.422  23.533  873.475  35.173  864.327  31.663  132.972 2.6799 132.286 2.4250 0.6864624      3.614221  
1 1 1 3   -11 4  f 33.390  0.8317 55.027   2.7410  55.902   3.7494  54.022   4.0172  33.653  1.1288 33.081  1.2303 0.5712013      1.669655  
1 1 1 3   -11 5  o 212.598 2.7081 2233.46  56.827  2260.89  80.343  2206.00  80.389  213.766 3.8078 211.148 3.8572 2.617798       5.420115  
1 1 1 3   -11 6  o 149.864 1.9073 1109.17  28.212  1127.91  39.834  1090.30  39.963  151.075 2.6714 148.530 2.7259 2.544250       3.816620  
1 1 1 3   -11 7  o 102.056 1.3540 514.204  13.639  531.605  19.326  496.936  19.252  103.751 1.8872 100.308 1.9444 3.442337       2.709674  
1 1 1 3   -11 8  o 29.381  0.9721 42.610   2.8192  42.727   4.0819  42.504   3.8983  29.418  1.4058 29.342  1.3460 0.7612610E-01  1.946288  
1 1 1 3   -11 9  o 128.870 6.3841 826.700  81.206  784.716  114.712 868.876  114.974 124.601 9.3964 131.293 8.9250 -6.692360      12.95947  
1 1 1 3   -11 10 o 87.526  1.2225 378.198  10.561  383.914  14.878  372.391  14.995  88.170  1.7095 86.836  1.7495 1.334633       2.446068  
1 1 1 3   -11 11 o 87.776  1.2043 380.377  10.434  372.471  14.607  388.614  14.910  86.844  1.7041 88.706  1.7029 -1.861984      2.409115  
1 1 1 3   -11 12 o 145.583 1.8453 1047.03  26.516  1040.07  37.353  1054.10  37.648  145.027 2.6094 146.001 2.6124 -0.9747314     3.692409  
1 1 1 3   -11 13 o 90.032  1.2082 400.252  10.736  431.349  15.293  370.028  15.076  93.442  1.6581 86.540  1.7650 6.902191       2.421685  
1 1 1 3   -11 14 o 112.413 1.5254 624.322  16.925  632.872  23.660  615.360  24.222  113.123 2.1190 111.538 2.2001 1.585182       3.054611  
1 1 1 3   -11 15 o 116.549 1.5428 671.266  17.749  684.903  25.059  657.539  25.142  117.654 2.1579 115.272 2.2097 2.381470       3.088570  
1 1 1 3   -11 16 o 41.361  6.8468 88.890   26.974  90.038   38.257  87.755   38.039  40.828  9.6464 40.295  9.6843 0.5338287      13.66889  
1 1 1 3   -10 0  o 442.981 5.1268 9703.94  224.163 9780.96  317.010 9626.92  317.018 444.295 7.2288 440.768 7.2869 3.526764       10.26424  
1 1 1 3   -10 1  o 321.334 3.9581 5102.29  125.538 5037.65  185.395 5157.02  170.603 319.049 5.8872 322.884 5.3531 -3.835632      7.957051  
1 1 1 3   -10 2  o 258.954 3.1156 3312.23  79.635  3330.93  112.608 3293.52  112.633 259.575 4.3951 258.111 4.4211 1.464111       6.234027  
1 1 1 3   -10 3  o 125.916 1.6131 782.667  20.048  803.378  28.365  761.991  28.341  127.555 2.2529 124.224 2.3114 3.330696       3.227714  
1 1 1 3   -10 4  o 133.305 1.7623 877.319  23.188  914.429  31.104  830.891  34.790  136.077 2.3158 129.697 2.7176 6.380051       3.570489  
1 1 1 3   -10 5  o 64.983  0.9295 208.430  5.9620  205.027  8.2900  212.076  8.5807  64.447  1.3032 65.545  1.3263 -1.098198      1.859432  
1 1 1 3   -10 6  o 70.465  0.9887 245.084  6.8766  257.741  9.7158  232.379  9.7341  72.256  1.3623 68.608  1.4374 3.648293       1.980417  
1 1 1 3   -10 7  o 91.856  1.2110 416.514  10.979  434.671  15.515  398.300  15.539  93.825  1.6753 89.812  1.7529 4.013321       2.424735  
1 1 1 3   -10 8  o 170.686 2.1325 1439.04  35.927  1444.02  50.752  1434.03  50.865  170.909 3.0085 170.315 3.0258 0.5940247      4.266895  
1 1 1 3   -10 9  o 68.791  0.9491 233.584  6.4443  245.093  9.1936  222.466  9.0358  70.460  1.3219 67.128  1.3637 3.331924       1.899289  
1 1 1 3   -10 10 o 61.954  6.3040 192.885  38.013  194.293  53.795  191.481  53.721  61.594  9.1246 61.124  9.1887 0.4701385      12.94953  
1 1 1 3   -10 11 o 108.152 1.4649 577.528  15.637  577.196  21.994  577.867  22.237  108.096 2.0614 108.158 2.0830 -0.6171417E-01 2.930588  
1 1 1 3   -10 12 o 139.193 1.7784 956.907  24.433  963.005  34.436  950.725  34.672  139.584 2.4994 138.689 2.5328 0.8955994      3.558401  
1 1 1 3   -10 13 o 157.632 1.9928 1227.67  31.006  1200.12  43.736  1255.51  43.964  155.761 2.8447 159.322 2.7957 -3.560638      3.988536  
1 1 1 3   -10 14 o 93.004  1.2522 427.127  11.495  413.901  16.039  441.098  16.484  91.527  1.7754 94.487  1.7675 -2.959724      2.505180  
1 1 1 3   -10 15 o 23.999  1.3250 28.534   3.1265  23.097   4.2652  34.848   4.5964  21.518  2.0323 26.495  1.7678 -4.977400      2.693526  
1 1 1 3   -10 16 o 67.966  2.0636 228.503  13.844  153.159  54.972  233.605  14.305  53.207  10.835 68.717  2.1090 -15.50972      11.03873  
1 1 1 3   -10 17 o 55.264  6.5320 156.497  34.941  180.393  49.921  133.548  48.922  58.522  8.9248 49.680  10.314 8.841793       13.63944  
1 1 1 3   -9  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -9  1  o 85.706  1.3534 362.559  11.449  372.816  15.049  348.466  17.640  86.906  1.7544 84.016  2.1272 2.890129       2.757310  
1 1 1 3   -9  2  o 165.325 2.1466 1349.33  35.028  1329.45  47.082  1373.99  52.422  164.081 2.9071 166.797 3.1841 -2.716354      4.311639  
1 1 1 3   -9  3  o 158.278 2.1632 1236.80  33.795  1275.40  43.177  1175.75  54.300  160.712 2.7219 154.274 3.5659 6.437576       4.486026  
1 1 1 3   -9  4  o 229.166 2.7851 2593.58  62.998  2566.40  89.046  2620.81  89.138  227.883 3.9588 230.289 3.9215 -2.405777      5.572329  
1 1 1 3   -9  5  o 270.620 3.2488 3618.31  86.780  3708.62  122.722 3527.99  122.729 273.832 4.5405 267.065 4.6558 6.766449       6.503323  
1 1 1 3   -9  6  o 62.535  0.9020 193.020  5.5675  191.076  7.7846  195.055  7.9659  62.217  1.2676 62.861  1.2839 -0.6442528     1.804223  
1 1 1 3   -9  7  o 56.445  0.8315 157.253  4.6324  161.061  6.4859  153.287  6.6184  57.122  1.1504 55.726  1.2033 1.396019       1.664703  
1 1 1 3   -9  8  o 44.131  0.7253 96.123   3.1594  100.732  4.3963  91.200   4.5433  45.175  0.9860 42.984  1.0709 2.191235       1.455635  
1 1 1 3   -9  9  o 89.141  1.2037 392.262  10.591  410.149  15.011  374.534  14.945  91.140  1.6687 87.091  1.7385 4.048683       2.409757  
1 1 1 3   -9  10 o 156.192 1.9654 1204.87  30.300  1203.58  42.785  1206.17  42.916  156.052 2.7777 156.219 2.7832 -0.1672058     3.932199  
1 1 1 3   -9  11 o 164.236 2.7931 1333.24  45.277  1330.91  47.408  1357.38  152.732 164.080 2.9273 164.141 9.4673 -0.6105042E-01 9.909530  
1 1 1 3   -9  12 o 239.538 3.1598 2837.69  74.709  2783.26  105.538 2892.37  105.771 236.970 4.5121 241.588 4.4357 -4.617386      6.327285  
1 1 1 3   -9  13 o 93.240  1.2320 429.201  11.338  415.762  15.977  442.836  16.093  91.751  1.7642 94.693  1.7219 -2.941910      2.465174  
1 1 1 3   -9  14 o 64.695  1.1254 206.637  7.1867  210.751  11.482  203.986  9.2151  65.319  1.7809 64.272  1.4526 1.047234       2.298206  
1 1 1 3   -9  15 o 16.705  1.7245 13.933   2.8025  14.344   3.8139  13.451   4.1317  16.869  2.3547 16.278  2.6637 0.5909004      3.555263  
1 1 1 3   -9  16 o 43.153  0.9242 91.939   3.9367  86.032   5.3389  98.976   5.8277  41.736  1.2960 44.765  1.3189 -3.029087      1.849130  
1 1 1 3   -9  17 o 108.031 1.9487 577.150  20.779  557.006  94.266  578.179  21.303  103.479 9.3297 108.122 1.9962 -4.643364      9.540844  
1 1 1 3   -9  18 o 87.467  6.4850 388.958  55.588  374.926  78.603  402.997  78.623  84.423  9.6038 87.769  9.2131 -3.345528      13.30843  
1 1 1 3   -8  0  o 254.161 3.1956 3190.07  80.167  3280.21  118.763 3114.62  108.656 257.633 4.6703 251.066 4.3846 6.566544       6.405993  
1 1 1 3   -8  1  f 115.286 2.2094 656.128  25.142  640.878  25.565  1105.21  138.731 113.937 2.2732 148.933 9.4867 -34.99572      9.755263  
1 1 1 3   -8  2  o 47.660  0.7846 112.107  3.6910  122.879  5.3797  102.526  5.0734  49.897  1.0923 45.577  1.1278 4.319290       1.570049  
1 1 1 3   -8  3  f 313.990 3.7250 4870.05  115.444 4865.88  163.246 4874.21  163.277 313.711 5.2721 313.980 5.2685 -0.2688599     7.453328  
1 1 1 3   -8  4  o 145.471 1.9917 1044.67  28.599  1088.97  36.417  973.390  46.194  148.513 2.4843 140.386 3.3337 8.126953       4.157568  
1 1 1 3   -8  5  o 35.874  0.8735 63.516   3.0930  60.331   4.0842  67.799   4.7361  34.962  1.1835 37.062  1.2947 -2.100155      1.754109  
1 1 1 3   -8  6  o 123.418 1.5952 751.905  19.432  748.012  27.459  755.811  27.505  123.082 2.2602 123.723 2.2523 -0.6402206     3.190812  
1 1 1 3   -8  7  f 148.233 1.8412 1084.84  26.939  1052.21  38.024  1117.71  38.172  145.956 2.6394 150.434 2.5708 -4.477325      3.684464  
1 1 1 3   -8  8  o 293.094 3.8761 4248.58  112.135 4219.30  158.542 4277.90  158.623 291.766 5.5053 293.793 5.4700 -2.027161      7.760750  
1 1 1 3   -8  9  o 319.215 3.7860 5040.65  119.287 5220.95  168.734 4860.50  168.662 324.519 5.2678 313.064 5.4582 11.45462       7.585627  
1 1 1 3   -8  10 o 242.810 2.9533 2914.10  70.780  2907.98  100.055 2920.23  100.139 242.368 4.1825 242.879 4.1772 -0.5108948     5.911144  
1 1 1 3   -8  11 o 148.292 2.0906 1086.15  30.601  1082.38  38.059  1093.06  51.465  148.001 2.6053 148.654 3.5075 -0.6528015     4.369259  
1 1 1 3   -8  12 o 184.165 2.5814 1676.00  46.925  1722.24  58.647  1593.73  78.230  186.625 3.1838 179.365 4.4188 7.259842       5.446264  
1 1 1 3   -8  13 o 149.998 1.9899 1111.30  29.461  1151.40  41.697  1071.32  41.631  152.621 2.7679 147.210 2.8652 5.411270       3.983777  
1 1 1 3   -8  14 o 94.740  1.3029 443.143  12.183  438.676  17.226  447.614  17.234  94.242  1.8518 95.198  1.8341 -0.9560318     2.606356  
1 1 1 3   -8  15 o 28.225  1.1534 39.333   3.2133  34.398   4.4372  44.774   4.6596  26.334  1.7165 30.068  1.5755 -3.734581      2.329937  
1 1 1 3   -8  16 o 51.408  0.9466 130.470  4.8030  125.604  7.0244  134.742  6.5821  50.430  1.4112 52.236  1.2766 -1.805874      1.902950  
1 1 1 3   -8  17 o 89.753  1.2529 397.859  11.099  403.251  15.783  392.585  15.611  90.326  1.7703 89.123  1.7747 1.202827       2.506702  
1 1 1 3   -8  18 o 54.251  1.0659 145.338  5.7078  148.530  9.4986  143.535  7.1408  54.815  1.7556 53.904  1.3421 0.9110565      2.209867  
1 1 1 3   -8  19 o 22.726  2.4197 25.867   5.3443  35.780   24.938  25.390   5.4714  26.506  8.4535 22.501  2.5061 4.004883       8.817130  
1 1 1 3   -7  0  o 190.985 2.5869 1800.93  48.766  1829.95  68.985  1771.95  68.947  192.475 3.6312 189.397 3.6881 3.077637       5.175691  
1 1 1 3   -7  1  o 231.053 2.8077 2636.00  64.031  2704.26  90.573  2567.80  90.534  233.969 3.9220 227.984 4.0232 5.985474       5.618593  
1 1 1 3   -7  2  o 486.756 7.4890 11732.91 359.805 11666.84 407.806 11965.06 764.406 485.141 8.5163 488.664 15.848 -3.522949      17.99149  
1 1 1 3   -7  3  o 229.860 3.1879 2609.14  72.327  2619.94  97.084  2595.66  108.426 230.280 4.2713 229.178 4.7932 1.102234       6.420172  
1 1 1 3   -7  4  o 202.811 2.5619 2030.77  51.284  2070.32  72.537  1991.25  72.516  204.736 3.5895 200.785 3.6590 3.950531       5.125721  
1 1 1 3   -7  5  o 535.806 6.3605 14207.66 336.379 13996.10 494.757 14389.53 458.710 530.919 9.4413 538.599 8.6286 -7.680115      12.79024  
1 1 1 3   -7  6  o 159.732 1.9769 1259.55  31.168  1306.77  44.138  1212.58  44.018  162.677 2.7489 156.702 2.8459 5.975616       3.956718  
1 1 1 3   -7  7  o 51.252  0.9276 129.643  4.6923  120.157  8.0633  134.501  5.7699  49.337  1.6558 52.202  1.1198 -2.865486      1.998931  
1 1 1 3   -7  8  f 94.422  1.2031 440.065  11.213  444.207  15.821  435.884  15.893  94.857  1.6898 93.964  1.7136 0.8933868      2.406642  
1 1 1 3   -7  9  o 123.376 1.6193 751.490  19.720  713.473  27.739  790.336  28.040  120.191 2.3382 126.504 2.2456 -6.312279      3.241928  
1 1 1 3   -7  10 o 240.424 2.9157 2856.62  69.191  2835.39  97.801  2877.89  97.901  239.364 4.1395 241.156 4.1130 -1.791550      5.835441  
1 1 1 3   -7  11 o 132.625 1.6903 868.495  22.127  862.584  31.209  874.471  31.377  132.140 2.3929 133.048 2.3893 -0.9075623     3.381508  
1 1 1 3   -7  12 o 205.990 2.5248 2096.50  51.334  2155.17  72.628  2037.93  72.567  208.738 3.5251 202.968 3.6222 5.769714       5.054372  
1 1 1 3   -7  13 o 43.201  0.8087 92.118   3.4484  101.098  5.0397  84.210   4.7288  45.255  1.1282 41.302  1.1600 3.952660       1.618151  
1 1 1 3   -7  14 f 179.240 2.3048 1587.27  40.776  1628.77  57.806  1546.17  57.527  181.471 3.2272 176.802 3.2965 4.669342       4.613213  
1 1 1 3   -7  15 o 109.738 1.4506 594.610  15.712  628.124  22.625  563.387  21.838  112.760 2.0328 106.789 2.0718 5.970734       2.902519  
1 1 1 3   -7  16 o 89.080  1.2376 391.796  10.881  412.565  15.876  373.399  14.943  91.389  1.7601 86.943  1.7412 4.445236       2.475825  
1 1 1 3   -7  17 o 78.410  1.1390 303.577  8.8155  317.995  12.738  290.322  12.213  80.230  1.6085 76.659  1.6141 3.570595       2.278685  
1 1 1 3   -7  18 o 142.643 1.8352 1005.83  25.839  1023.82  36.696  988.142  36.390  143.796 2.5854 141.264 2.6098 2.532150       3.673644  
1 1 1 3   -7  19 o 72.801  1.1438 261.748  8.2191  259.088  11.612  264.418  11.635  72.404  1.6249 73.146  1.6116 -0.7417984     2.288518  
1 1 1 3   -6  0  o 47.701  0.6268 112.299  2.9509  110.939  4.2467  113.568  4.1035  47.410  0.9075 47.969  0.8667 -0.5586205     1.254864  
1 1 1 3   -6  1  o 256.399 3.7459 3247.93  94.800  3298.89  134.074 3196.99  134.060 258.267 5.2595 254.239 5.3423 4.028610       7.496791  
1 1 1 3   -6  2  o 250.906 3.0083 3108.79  74.501  3157.43  105.360 3060.16  105.361 252.786 4.2227 248.856 4.2894 3.929306       6.019164  
1 1 1 3   -6  3  o 393.357 4.9328 7647.59  191.520 7645.75  270.876 7649.43  270.825 393.016 6.9828 393.111 6.9798 -0.9490967E-01 9.872995  
1 1 1 3   -6  4  f 200.697 2.6911 1988.70  53.309  2018.83  68.509  1942.45  84.875  202.185 3.4329 198.283 4.3367 3.901917       5.531006  
1 1 1 3   -6  5  o 64.450  0.8940 205.009  5.6869  211.899  7.4553  195.420  8.7948  65.523  1.1527 62.923  1.4161 2.600578       1.825949  
1 1 1 3   -6  6  o 158.911 1.9798 1246.59  31.053  1197.39  43.817  1296.23  44.015  155.721 2.8507 162.024 2.7522 -6.302872      3.962511  
1 1 1 3   -6  7  o 236.828 2.8664 2769.63  67.005  2844.39  94.772  2694.91  94.746  239.936 4.0018 233.540 4.1102 6.396988       5.736547  
1 1 1 3   -6  8  o 338.924 3.9794 5676.91  133.124 5699.19  188.274 5654.63  188.257 339.354 5.6209 338.021 5.6425 1.332916       7.964458  
1 1 1 3   -6  9  o 123.587 1.5877 754.000  19.368  765.909  27.441  742.179  27.340  124.542 2.2323 122.597 2.2594 1.945328       3.176133  
1 1 1 3   -6  10 o 107.143 1.4342 566.705  15.168  574.041  21.470  559.396  21.431  107.820 2.0175 106.435 2.0399 1.384933       2.869068  
1 1 1 3   -6  11 o 75.187  1.0288 279.037  7.6348  259.727  10.691  299.134  10.907  72.532  1.4933 77.842  1.4196 -5.309593      2.060381  
1 1 1 3   -6  12 o 90.689  1.1646 405.988  10.425  395.257  14.732  416.750  14.754  89.472  1.6682 91.873  1.6270 -2.401489      2.330275  
1 1 1 3   -6  13 o 174.115 2.9343 1498.47  50.428  1398.82  165.775 1508.64  52.937  166.534 10.133 174.692 3.0701 -8.157974      10.58820  
1 1 1 3   -6  14 o 85.718  1.1811 362.714  9.9931  342.851  14.160  382.426  14.105  83.326  1.7216 88.006  1.6238 -4.680458      2.366607  
1 1 1 3   -6  15 o 107.193 1.4188 567.306  15.011  587.730  21.370  547.410  21.092  109.083 1.9848 105.273 2.0298 3.810135       2.838920  
1 1 1 3   -6  16 o 85.872  1.2250 364.055  10.383  351.363  14.791  376.386  14.579  84.344  1.7767 87.299  1.6919 -2.954865      2.453401  
1 1 1 3   -6  17 o 57.484  1.0749 163.138  6.0986  194.222  9.1361  138.156  8.1905  62.711  1.4760 52.888  1.5690 9.822807       2.154121  
1 1 1 3   -6  18 o 88.806  1.3035 389.493  11.425  381.594  16.457  396.843  15.875  87.866  1.8975 89.611  1.7948 -1.745529      2.611899  
1 1 1 3   -6  19 o 93.076  1.4878 428.023  13.668  441.822  17.065  403.336  22.826  94.537  1.8289 90.253  2.5624 4.284851       3.148109  
1 1 1 3   -6  20 o 158.498 2.0490 1242.72  32.056  1232.12  45.475  1253.19  45.194  157.630 2.9228 158.983 2.8800 -1.353012      4.103322  
1 1 1 3   -5  0  o 258.850 3.0984 3310.44  79.161  3309.77  111.937 3311.11  111.966 258.679 4.3841 258.732 4.3843 -0.5224609E-01 6.200185  
1 1 1 3   -5  1  o 149.820 1.8143 1108.15  26.830  1120.68  37.941  1095.63  37.945  150.639 2.5518 148.944 2.5811 1.694046       3.629533  
1 1 1 3   -5  2  f 109.361 1.6859 590.397  18.198  597.629  28.167  585.216  23.842  110.008 2.5941 108.869 2.2187 1.139221       3.413479  
1 1 1 3   -5  3  o 435.775 7.3649 9409.23  316.784 9034.36  636.144 9532.84  365.300 424.277 15.191 438.355 8.4429 -14.07816      17.37912  
1 1 1 3   -5  4  o 406.742 4.7244 8176.01  189.671 8201.62  268.236 8150.40  268.235 407.098 6.6755 405.821 6.6965 1.276886       9.455446  
1 1 1 3   -5  5  o 170.732 2.1277 1438.94  35.855  1409.96  50.641  1468.07  50.773  168.981 3.0362 172.430 2.9833 -3.448624      4.256588  
1 1 1 3   -5  6  o 326.004 4.3007 5250.66  138.388 5199.01  195.679 5302.34  195.740 324.220 6.1147 327.433 6.0566 -3.212830      8.606444  
1 1 1 3   -5  7  o 254.294 3.0667 3193.37  76.974  3269.48  108.885 3117.34  108.832 257.228 4.2886 251.165 4.3900 6.063660       6.137100  
1 1 1 3   -5  8  o 215.694 2.6369 2297.16  56.139  2340.17  79.410  2254.18  79.375  217.653 3.6964 213.613 3.7646 4.040054       5.275942  
1 1 1 3   -5  9  o 187.564 2.3176 1737.05  42.907  1668.88  60.600  1805.57  60.760  183.800 3.3404 191.186 3.2198 -7.386093      4.639513  
1 1 1 3   -5  10 o 223.329 2.7342 2463.57  60.270  2427.16  85.205  2500.03  85.265  221.576 3.8959 224.883 3.8413 -3.306900      5.471207  
1 1 1 3   -5  11 f 46.507  0.8043 106.755  3.6922  99.447   4.8441  116.885  5.7035  44.886  1.0934 48.661  1.1875 -3.775696      1.614182  
1 1 1 3   -5  12 o 124.490 1.5988 765.154  19.645  796.608  27.876  734.123  27.689  126.998 2.2238 121.912 2.3010 5.085930       3.200030  
1 1 1 3   -5  13 o 310.975 3.7006 4783.76  113.588 4942.16  160.753 4625.82  160.521 315.734 5.1583 305.417 5.3248 10.31729       7.413617  
1 1 1 3   -5  14 o 223.246 3.6349 2465.48  80.096  2314.91  227.897 2486.70  85.553  214.080 10.820 224.170 3.8666 -10.08966      11.49041  
1 1 1 3   -5  15 o 82.924  1.1885 339.459  9.7277  315.837  13.684  363.591  13.831  79.975  1.7335 85.811  1.6330 -5.836067      2.381553  
1 1 1 3   -5  16 o 72.502  1.0987 259.484  7.8627  261.178  11.640  258.063  10.663  72.726  1.6215 72.295  1.4944 0.4318314      2.205093  
1 1 1 3   -5  17 f 89.210  1.4482 392.978  12.752  420.944  22.529  379.795  15.468  92.280  2.4734 87.688  1.7872 4.592293       3.051515  
1 1 1 3   -5  18 o 51.177  1.0136 129.302  5.1203  104.179  7.1970  155.051  7.2861  45.925  1.5877 56.034  1.3174 -10.10941      2.063077  
1 1 1 3   -5  19 o 80.723  1.4616 321.896  11.645  340.272  14.471  288.129  19.616  82.976  1.7669 76.291  2.6050 6.685112       3.147704  
1 1 1 3   -5  20 f 25.538  1.6652 32.371   4.1746  34.018   5.6114  30.329   6.2474  26.130  2.1960 24.610  2.6119 1.520597       3.412395  
1 1 1 3   -5  21 o 32.665  1.5654 52.734   5.0472  52.546   7.1601  52.919   7.1158  32.505  2.2455 32.623  2.2231 -0.1180840     3.159801  
1 1 1 3   -4  0  o 259.154 4.5819 3323.08  117.201 3239.55  137.584 3544.03  223.762 255.739 5.4505 266.792 8.4973 -11.05304      10.09516  
1 1 1 3   -4  1  f 116.400 6.1827 673.693  70.779  655.089  100.077 692.311  100.115 114.309 8.9412 117.580 8.6880 -3.270752      12.46699  
1 1 1 3   -4  2  o 190.967 6.8701 1809.90  129.495 1823.31  183.147 1796.50  183.119 190.891 9.7529 189.459 9.8260 1.431107       13.84450  
1 1 1 3   -4  3  o 109.553 6.2242 596.556  67.026  619.192  94.810  573.940  94.768  111.249 8.7036 107.019 9.0565 4.229301       12.56081  
1 1 1 3   -4  4  o 231.781 7.3607 2662.40  168.396 2604.24  238.127 2720.58  238.168 228.735 10.547 233.831 10.319 -5.096054      14.75580  
1 1 1 3   -4  5  o 173.456 7.7584 1490.43  132.829 1437.32  163.306 1594.25  228.327 169.873 9.7811 178.321 13.063 -8.447968      16.31933  
1 1 1 3   -4  6  o 422.428 10.220 8858.50  426.106 8872.09  602.622 8844.92  602.588 421.507 14.485 420.854 14.506 0.6533203      20.49964  
1 1 1 3   -4  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -4  8  o 87.884  1.3383 381.221  11.609  378.816  14.224  386.018  20.092  87.604  1.6450 88.425  2.3020 -0.8209610     2.829376  
1 1 1 3   -4  9  o 135.993 1.7400 912.914  23.355  909.732  32.971  916.119  33.089  135.741 2.4608 136.217 2.4610 -0.4756470     3.480294  
1 1 1 3   -4  10 o 370.268 4.3262 6777.75  158.110 6953.62  223.642 6602.00  223.561 374.733 6.0464 365.103 6.2036 9.629791       8.662806  
1 1 1 3   -4  11 o 101.599 1.3509 509.536  13.547  497.175  18.999  522.323  19.323  100.348 1.9182 102.855 1.9034 -2.506966      2.702256  
1 1 1 3   -4  12 o 319.192 4.8734 5045.48  153.539 5215.91  266.299 4960.61  187.918 323.469 8.3407 316.211 6.0209 7.257996       10.28680  
1 1 1 3   -4  13 o 64.688  0.9387 206.542  5.9936  209.794  8.5533  203.406  8.4013  65.190  1.3293 64.190  1.3260 1.000076       1.877576  
1 1 1 3   -4  14 o 95.899  1.2440 453.990  11.775  472.778  16.893  436.238  16.421  97.850  1.7491 93.992  1.7700 3.857964       2.488414  
1 1 1 3   -4  15 o 111.592 6.2714 620.891  68.797  593.359  97.228  648.498  97.360  108.452 9.1687 113.517 8.7570 -5.064308      12.67870  
1 1 1 3   -4  16 o 104.528 1.4626 539.454  15.090  566.156  21.804  514.904  20.907  107.061 2.0633 102.100 2.0746 4.961243       2.925923  
1 1 1 3   -4  17 o 30.338  1.3509 45.442   4.0452  45.755   6.5389  45.248   5.1487  30.353  2.1975 30.219  1.7334 0.1332283      2.798854  
1 1 1 3   -4  18 o 98.145  1.3873 475.649  13.439  505.389  19.344  447.904  18.684  101.140 1.9378 95.212  1.9882 5.928322       2.776278  
1 1 1 3   -4  19 o 113.439 1.7916 635.864  20.060  656.719  24.939  597.642  33.762  115.249 2.1924 109.839 3.1141 5.409439       3.808415  
1 1 1 3   -4  20 o 50.744  1.2524 127.177  6.2731  127.030  8.9694  127.317  8.7766  50.695  1.7925 50.754  1.7520 -0.5903244E-01 2.506507  
1 1 1 3   -4  21 o 69.021  1.3071 235.326  8.9051  260.688  12.510  209.271  12.679  72.619  1.7453 65.050  1.9748 7.569458       2.635473  
1 1 1 3   -3  0  o 58.643  5.9241 172.083  33.820  181.828  47.856  162.361  47.802  59.916  8.3164 56.453  8.8713 3.462654       12.15985  
1 1 1 3   -3  1  o 315.397 8.5142 4948.67  265.054 4910.36  374.838 4986.98  374.848 312.891 12.137 315.362 12.042 -2.470978      17.09768  
1 1 1 3   -3  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -3  3  o 228.712 7.3228 2598.33  165.311 2542.11  233.761 2654.58  233.808 225.455 10.505 230.453 10.279 -4.998016      14.69697  
1 1 1 3   -3  4  o 207.872 7.0540 2143.78  144.732 2200.73  204.712 2086.87  204.652 210.086 9.8722 204.522 10.138 5.563736       14.15042  
1 1 1 3   -3  5  o 212.583 7.1189 2239.19  149.375 2263.48  211.264 2214.91  211.232 213.315 10.034 210.996 10.143 2.319016       14.26720  
1 1 1 3   -3  6  o 529.315 14.023 13993.92 732.631 14217.25 897.342 13547.43 1268.80 531.986 17.089 514.169 25.001 17.81683       30.28340  
1 1 1 3   -3  7  o 192.573 6.9379 1835.08  131.873 1856.06  186.536 1814.12  186.456 193.167 9.8158 190.949 9.9272 2.217926       13.96064  
1 1 1 3   -3  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   -3  9  o 34.358  0.8805 58.263   2.9859  56.146   4.3507  60.147   4.1055  33.727  1.3069 34.909  1.1915 -1.181210      1.768522  
1 1 1 3   -3  10 o 275.128 3.2997 3738.75  89.608  3808.59  126.753 3668.98  126.697 277.576 4.6264 272.433 4.7117 5.143127       6.603281  
1 1 1 3   -3  11 o 190.738 2.3509 1796.45  44.260  1864.79  62.671  1728.45  62.516  194.283 3.2681 187.038 3.3863 7.244064       4.706144  
1 1 1 3   -3  12 o 136.276 1.7561 916.883  23.622  956.113  33.602  878.558  33.213  139.135 2.4468 133.370 2.5230 5.765472       3.514582  
1 1 1 3   -3  13 o 262.800 3.1823 3413.66  82.545  3397.39  116.784 3429.91  116.690 261.969 4.5165 263.224 4.4913 -1.255219      6.369498  
1 1 1 3   -3  14 o 66.369  1.0040 217.426  6.5772  214.435  9.4771  220.205  9.1355  65.905  1.4569 66.787  1.3858 -0.8819351     2.010708  
1 1 1 3   -3  15 o 153.078 1.9566 1157.24  29.562  1154.96  41.948  1159.49  41.668  152.875 2.7800 153.176 2.7560 -0.3010101     3.914564  
1 1 1 3   -3  16 o 90.779  1.7632 406.940  15.799  410.155  16.142  333.828  76.977  91.136  1.7945 80.954  9.8356 10.18264       9.998004  
1 1 1 3   -3  17 o 159.973 2.0532 1264.08  32.420  1324.21  46.032  1204.91  45.667  163.666 2.8495 156.109 2.9638 7.557404       4.111374  
1 1 1 3   -3  18 o 40.429  1.2185 80.697   4.8623  104.126  8.5049  69.321   5.9264  45.913  1.8767 37.466  1.6026 8.446953       2.467850  
1 1 1 3   -3  19 o 68.854  1.2152 234.086  8.2588  237.403  11.971  231.072  11.408  69.322  1.7496 68.394  1.6900 0.9282455      2.432481  
1 1 1 3   -3  20 o 86.597  1.3712 370.394  11.720  382.259  17.297  360.322  15.936  87.933  1.9929 85.380  1.8910 2.553139       2.747301  
1 1 1 3   -3  21 o 25.068  2.0983 31.300   5.1440  28.271   7.9116  33.518   6.7705  23.608  3.5013 25.874  2.6904 -2.266005      4.415571  
1 1 1 3   -3  22 o 79.069  6.3754 317.669  49.333  340.906  70.172  294.960  69.371  80.843  8.9439 74.826  9.6151 6.017136       13.13179  
1 1 1 3   -2  0  o 260.030 3.4119 3340.38  87.571  3301.09  123.856 3379.66  123.831 258.360 4.8569 261.423 4.7990 -3.062897      6.827884  
1 1 1 3   -2  1  o 360.739 4.5846 6434.42  163.241 6624.17  230.871 6244.71  230.845 365.693 6.3962 355.025 6.5876 10.66821       9.181914  
1 1 1 3   -2  2  o 297.949 3.6584 4387.00  107.588 4421.23  159.128 4358.19  146.020 298.875 5.3942 296.799 4.9844 2.075745       7.344483  
1 1 1 3   -2  3  o 212.837 3.4808 2238.67  73.123  2230.56  100.427 2247.82  106.681 212.323 4.7920 213.110 5.0717 -0.7869415     6.977486  
1 1 1 3   -2  4  o 259.978 4.0690 3342.25  104.414 3446.16  147.724 3238.52  147.605 263.741 5.6747 255.641 5.8497 8.099884       8.149923  
1 1 1 3   -2  5  o 171.244 6.6516 1453.91  112.429 1449.42  159.003 1458.40  158.994 170.316 9.4961 170.852 9.4652 -0.5354767     13.40769  
1 1 1 3   -2  6  o 229.749 7.3341 2615.38  166.316 2579.07  235.201 2651.69  235.212 227.681 10.466 230.890 10.321 -3.208527      14.69894  
1 1 1 3   -2  7  o 562.267 12.694 15750.82 704.467 15896.35 996.298 15605.30 996.235 562.212 17.954 556.943 18.122 5.268860       25.51003  
1 1 1 3   -2  8  o 195.740 6.9800 1895.94  134.855 1984.89  190.810 1807.17  190.617 200.035 9.6641 190.551 10.172 9.484024       14.03059  
1 1 1 3   -2  9  o 414.337 5.0998 8485.30  208.565 8581.29  294.984 8389.36  294.926 416.365 7.1778 411.669 7.2583 4.696411       10.20797  
1 1 1 3   -2  10 o 211.444 2.5907 2207.41  54.068  2206.97  76.466  2207.85  76.463  211.376 3.6650 211.419 3.6642 -0.4222107E-01 5.182516  
1 1 1 3   -2  11 o 153.806 1.9568 1167.84  29.706  1184.12  42.082  1151.67  41.941  154.850 2.7533 152.713 2.7825 2.137238       3.914423  
1 1 1 3   -2  12 o 141.568 1.8049 989.433  25.220  968.229  35.697  1010.56  35.635  140.017 2.5830 143.047 2.5239 -3.030533      3.611333  
1 1 1 3   -2  13 o 160.808 2.1305 1277.00  33.816  1347.04  48.009  1208.03  47.638  165.113 2.9458 156.352 3.0869 8.761002       4.266922  
1 1 1 3   -2  14 o 138.781 1.7796 951.010  24.378  920.744  34.567  980.957  34.384  136.518 2.5653 140.917 2.4721 -4.398376      3.562556  
1 1 1 3   -2  15 o 101.188 1.3620 505.478  13.603  474.524  19.346  535.753  19.132  98.023  1.9995 104.160 1.8609 -6.136978      2.731487  
1 1 1 3   -2  16 f 95.200  1.3543 447.421  12.726  452.719  18.359  442.521  17.657  95.745  1.9426 94.662  1.8897 1.082710       2.710144  
1 1 1 3   -2  17 o 73.367  1.1843 265.719  8.5759  268.758  11.864  262.394  12.411  73.776  1.6292 72.895  1.7249 0.8810196      2.372701  
1 1 1 3   -2  18 o 143.408 1.8901 1015.78  26.754  1038.65  38.160  993.664  37.520  144.956 2.6671 141.781 2.6811 3.175369       3.781762  
1 1 1 3   -2  19 f 118.510 1.6337 693.649  19.110  734.339  27.458  655.424  26.613  121.893 2.2822 115.153 2.3415 6.740067       3.269704  
1 1 1 3   -2  20 o 21.636  7.0026 22.876   17.065  14.071   24.806  30.786   23.512  21.082  8.2354 25.103  8.2254 -4.021738      11.63955  
1 1 1 3   -2  21 o 117.521 6.4096 697.042  74.069  693.696  104.920 700.366  104.581 115.867 9.2512 116.470 9.1713 -0.6033554     13.02681  
1 1 1 3   -2  22 o 93.669  6.5076 444.886  59.792  456.541  84.842  433.385  84.279  93.620  9.3047 91.088  9.5144 2.532364       13.30791  
1 1 1 3   -1  0  o 109.227 1.5011 588.900  16.184  567.068  22.865  610.819  22.910  107.173 2.1615 111.232 2.0867 -4.058960      3.004427  
1 1 1 3   -1  1  o 500.731 6.2367 12411.92 308.244 11989.84 435.925 12833.99 435.920 491.337 8.9888 508.445 8.6862 -17.10837      12.49991  
1 1 1 3   -1  2  o 235.715 2.8759 2743.95  66.910  2820.42  94.646  2667.54  94.603  238.900 4.0138 232.326 4.1255 6.573624       5.755871  
1 1 1 3   -1  3  o 108.071 1.4591 576.512  15.564  556.257  20.737  602.644  23.553  106.147 1.9792 110.480 2.1599 -4.333321      2.929585  
1 1 1 3   -1  4  o 64.938  0.8267 208.131  5.2987  197.784  7.5036  218.423  7.4835  63.301  1.2010 66.522  1.1397 -3.221405      1.655690  
1 1 1 3   -1  5  o 171.282 3.1262 1449.55  52.852  1455.07  83.654  1445.87  68.185  171.459 4.9430 170.998 4.0398 0.4604340      6.383863  
1 1 1 3   -1  6  o 146.816 6.4014 1068.06  92.764  1014.95  131.154 1121.22  131.224 142.493 9.3775 149.886 8.9100 -7.393463      12.93542  
1 1 1 3   -1  7  o 97.749  6.1738 474.647  59.260  456.130  83.780  493.187  83.833  95.457  8.9981 99.344  8.6354 -3.886627      12.47144  
1 1 1 3   -1  8  o 355.371 6.5367 6247.64  229.285 5926.27  452.710 6358.52  265.913 344.805 13.302 358.371 7.5175 -13.56567      15.27918  
1 1 1 3   -1  9  o 213.976 2.8146 2260.60  59.445  2299.18  84.108  2222.10  84.027  215.748 3.9496 212.098 4.0138 3.650253       5.631155  
1 1 1 3   -1  10 o 179.518 2.5366 1591.13  44.946  1577.54  75.373  1598.63  55.989  178.678 4.2738 179.919 3.1528 -1.241058      5.310852  
1 1 1 3   -1  11 o 226.765 2.7639 2539.16  61.862  2636.62  87.592  2442.16  87.382  231.018 3.8414 222.327 3.9819 8.691025       5.532800  
1 1 1 3   -1  12 o 178.612 2.2053 1575.15  38.879  1542.34  54.975  1607.98  54.992  176.701 3.1520 180.425 3.0880 -3.724228      4.412582  
1 1 1 3   -1  13 o 233.215 2.8365 2686.84  65.293  2704.31  92.396  2669.42  92.281  233.859 4.0028 232.343 4.0239 1.516083       5.675791  
1 1 1 3   -1  14 o 128.113 1.6859 810.347  21.318  813.864  30.351  806.923  29.949  128.363 2.3956 127.815 2.3739 0.5475388      3.372553  
1 1 1 3   -1  15 o 176.382 2.2279 1536.62  38.786  1547.69  54.961  1525.63  54.744  176.944 3.1469 175.677 3.1571 1.266479       4.457622  
1 1 1 3   -1  16 o 155.295 2.0062 1191.04  30.752  1144.02  43.627  1237.46  43.353  152.140 2.9053 158.242 2.7757 -6.101715      4.018071  
1 1 1 3   -1  17 o 258.606 3.5404 3308.27  90.370  3240.29  149.438 3347.47  113.470 255.396 5.9281 259.963 4.4222 -4.567200      7.395782  
1 1 1 3   -1  18 o 133.190 1.7536 876.037  23.053  893.974  32.748  858.417  32.458  134.504 2.4667 131.800 2.4950 2.703918       3.508536  
1 1 1 3   -1  19 o 35.342  7.0269 64.537   23.649  78.696   33.732  50.851   33.164  38.791  8.9865 31.667  9.6982 7.123926       13.22166  
1 1 1 3   -1  20 o 117.580 6.3767 693.310  73.729  687.034  104.349 699.567  104.188 116.066 9.1836 117.167 9.0800 -1.101349      12.91450  
1 1 1 3   -1  21 o 47.768  1.5191 112.722  7.1622  128.305  11.768  103.553  9.0267  50.927  2.3410 45.767  1.9982 5.160667       3.077851  
1 1 1 3   -1  22 o 162.357 2.1165 1303.96  33.917  1285.29  48.202  1322.28  47.733  160.992 3.0334 163.311 2.9612 -2.318756      4.239109  
1 1 1 3   -1  23 o 45.798  1.7046 103.690  7.7054  115.072  10.687  91.368   11.120  48.216  2.2456 42.859  2.6414 5.356529       3.466983  
1 1 1 3   0   0  o 203.736 3.0333 2049.94  60.999  2034.77  86.266  2065.12  86.266  202.909 4.3073 204.419 4.2755 -1.509796      6.068963  
1 1 1 3   0   1  o 120.754 1.4435 719.735  17.205  705.320  24.306  734.208  24.356  119.529 2.0602 121.953 2.0234 -2.423904      2.887686  
1 1 1 3   0   2  o 204.488 2.7368 2064.82  55.240  2059.97  78.143  2069.66  78.099  204.191 3.8772 204.671 3.8659 -0.4805298     5.475225  
1 1 1 3   0   3  o 46.181  0.6083 105.254  2.7725  116.242  4.6223  99.079   3.4651  48.530  0.9650 44.805  0.7835 3.725174       1.243007  
1 1 1 3   0   4  o 286.139 3.4238 4045.39  96.698  3946.70  136.730 4144.15  136.774 282.456 4.9043 289.451 4.7873 -6.995392      6.853533  
1 1 1 3   0   5  o 392.485 5.4096 7628.16  209.567 7635.29  313.303 7622.39  281.919 391.847 8.1006 391.797 7.2900 0.5026245E-01  10.89788  
1 1 1 3   0   6  o 98.151  6.0480 479.215  58.307  516.641  82.506  441.875  82.411  101.586 8.3010 93.769  9.0153 7.817261       12.25491  
1 1 1 3   0   7  o 161.246 6.5516 1287.88  104.273 1299.13  147.477 1276.64  147.452 161.387 9.2975 159.965 9.3798 1.422302       13.20695  
1 1 1 3   0   8  o 501.264 7.2640 12440.84 359.397 12469.25 401.595 12326.57 805.423 501.635 8.1109 495.637 16.464 5.998016       18.35317  
1 1 1 3   0   9  o 184.226 2.5851 1675.59  47.007  1638.91  78.769  1695.88  58.582  182.136 4.3816 185.320 3.2027 -3.184448      5.427260  
1 1 1 3   0   10 o 337.309 4.4442 5621.51  147.964 5507.89  209.260 5735.11  209.245 333.685 6.3536 340.514 6.2257 -6.829102      8.895317  
1 1 1 3   0   11 o 265.619 3.1767 3484.19  83.285  3335.71  117.750 3632.84  117.817 259.806 4.5918 271.145 4.4022 -11.33942      6.361123  
1 1 1 3   0   12 o 124.920 1.6335 770.299  20.141  733.165  28.403  807.856  28.564  121.857 2.3615 127.916 2.2624 -6.058914      3.270282  
1 1 1 3   0   13 o 186.374 2.3128 1715.24  42.546  1692.35  60.229  1738.04  60.110  185.072 3.2971 187.557 3.2470 -2.485214      4.627525  
1 1 1 3   0   14 o 121.118 1.6468 724.244  19.688  704.595  27.863  743.837  27.822  119.441 2.3634 122.724 2.2968 -3.283630      3.295645  
1 1 1 3   0   15 o 360.751 4.2657 6441.47  151.889 6411.77  214.844 6471.16  214.764 359.386 6.0566 361.057 6.0263 -1.671234      8.543940  
1 1 1 3   0   16 o 353.429 4.1885 6183.29  146.114 6077.37  206.663 6289.15  206.609 349.839 5.9850 355.920 5.8812 -6.080933      8.390930  
1 1 1 3   0   17 o 248.954 3.4230 3065.31  84.112  3054.66  105.578 3083.81  139.165 248.367 4.3067 249.243 5.6568 -0.8768768     7.109668  
1 1 1 3   0   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   0   19 o 153.068 6.7194 1168.27  101.520 1149.05  143.722 1187.41  143.419 150.673 9.7157 153.249 9.5286 -2.575745      13.60845  
1 1 1 3   0   20 o 125.672 1.7090 780.093  21.199  788.062  30.355  772.506  29.618  126.257 2.4358 125.008 2.4004 1.249268       3.419830  
1 1 1 3   0   21 f 113.024 1.6075 631.070  17.933  683.746  26.053  583.638  24.722  117.591 2.2446 108.636 2.3056 8.954575       3.217766  
1 1 1 3   0   22 o 46.331  1.5823 106.068  7.2357  118.024  10.826  96.414   9.7278  48.842  2.2456 44.088  2.2428 4.753849       3.173808  
1 1 1 3   0   23 o 27.463  2.4962 37.656   6.6925  37.952   10.904  37.478   8.4769  27.293  4.1809 27.295  3.2077 -0.1934052E-02 5.269659  
1 1 1 3   1   0  o 49.425  0.7631 120.563  3.7228  115.900  4.5515  129.988  6.4706  48.459  0.9516 51.318  1.2774 -2.859200      1.592909  
1 1 1 3   1   1  o 186.107 3.7633 1711.09  69.130  0.0000   0.0000  1711.09  69.130  ?       ?      186.107 3.7633 0.000000       3.763298  
1 1 1 3   1   2  o 166.983 2.0973 1376.52  34.568  1309.50  48.848  1443.75  48.924  162.839 3.0392 170.987 2.8988 -8.148346      4.199996  
1 1 1 3   1   3  o 47.501  0.6893 111.360  3.2317  112.478  4.5077  110.179  4.6356  47.738  0.9567 47.248  0.9940 0.4904175      1.379586  
1 1 1 3   1   4  o 116.160 1.5179 666.046  17.404  677.570  26.252  657.008  23.247  117.146 2.2704 115.360 2.0416 1.786133       3.053335  
1 1 1 3   1   5  o 300.494 4.5980 4466.49  136.377 4604.42  192.923 4328.73  192.809 304.769 6.4133 295.463 6.6114 9.306122       9.210883  
1 1 1 3   1   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   1   7  o 112.668 6.1528 630.703  68.165  624.233  96.404  637.171  96.396  111.693 8.8161 112.868 8.7204 -1.174789      12.40040  
1 1 1 3   1   8  o 448.767 6.5642 9968.88  290.763 10132.57 665.540 9930.27  323.243 449.610 14.997 447.736 7.3143 1.873749       16.68563  
1 1 1 3   1   9  o 327.551 3.8502 5299.44  124.478 5547.68  176.106 5051.58  175.972 335.005 5.3258 319.651 5.5774 15.35452       7.711839  
1 1 1 3   1   10 o 226.204 2.7573 2526.33  61.564  2579.43  87.105  2473.34  87.023  228.522 3.8617 223.769 3.9400 4.752777       5.516966  
1 1 1 3   1   11 o 102.804 1.4201 521.654  14.410  475.121  20.648  565.839  20.120  98.103  2.1324 107.064 1.9040 -8.960266      2.858686  
1 1 1 3   1   12 o 201.760 2.4966 2009.88  49.719  2032.89  70.372  1986.94  70.253  202.867 3.5144 200.560 3.5489 2.307648       4.994569  
1 1 1 3   1   13 o 211.671 2.6156 2212.63  54.647  2259.05  77.366  2166.42  77.200  213.812 3.6659 209.377 3.7355 4.434418       5.233871  
1 1 1 3   1   14 o 53.158  1.0954 139.476  5.7475  139.899  8.4663  139.115  7.8276  53.233  1.6113 53.085  1.4939 0.1481209      2.197263  
1 1 1 3   1   15 o 239.176 3.0383 2827.17  71.728  2889.46  101.563 2765.19  101.314 241.631 4.2584 236.365 4.3426 5.265854       6.082151  
1 1 1 3   1   16 o 28.504  2.1242 40.350   5.9333  40.802   7.0847  39.289   10.858  28.626  2.5336 27.886  4.0642 0.7398701      4.789270  
1 1 1 3   1   17 o 192.747 6.9795 1849.68  132.783 1810.18  187.750 1889.21  187.817 189.529 10.072 193.717 9.8553 -4.188202      14.09185  
1 1 1 3   1   18 o 49.214  6.4633 122.513  30.636  114.635  43.086  130.570  43.571  46.953  9.6203 50.291  9.1132 -3.338142      13.25142  
1 1 1 3   1   19 o 298.030 5.7615 4415.16  169.485 4523.34  194.208 4069.55  347.121 301.353 6.5292 282.440 12.452 18.91354       14.05953  
1 1 1 3   1   20 o 155.479 2.0566 1194.33  31.562  1172.09  44.687  1216.48  44.583  153.935 2.9411 156.830 2.8801 -2.894882      4.116450  
1 1 1 3   1   21 o 43.682  1.5353 94.248   6.6196  94.890   10.023  93.751   8.8156  43.746  2.3297 43.553  2.0507 0.1928787      3.103687  
1 1 1 3   1   22 o 78.630  1.4913 305.441  11.574  302.669  16.613  308.054  16.133  78.229  2.1515 78.928  2.0709 -0.6990204     2.986263  
1 1 1 3   1   23 o 68.665  1.4703 232.962  9.9646  237.291  15.065  229.595  13.286  69.249  2.2041 68.134  1.9756 1.114365       2.959906  
1 1 1 3   1   24 o 119.558 1.8474 706.935  21.801  711.599  31.584  702.690  30.129  119.813 2.6707 119.082 2.5633 0.7316818      3.701821  
1 1 1 3   2   0  o 222.034 2.7500 2434.54  60.268  2373.71  85.218  2495.42  85.246  219.169 3.9393 224.725 3.8431 -5.555923      5.503445  
1 1 1 3   2   1  o 182.089 2.9548 1637.42  53.106  1648.98  85.453  1630.15  67.785  182.636 4.7403 181.646 3.7807 0.9894714      6.063389  
1 1 1 3   2   2  f 164.625 2.1343 1337.95  34.680  1349.14  49.052  1326.77  49.038  165.285 3.0067 163.907 3.0311 1.377441       4.269421  
1 1 1 3   2   3  o 175.468 2.4508 1520.20  42.446  1509.48  60.033  1530.92  60.023  174.808 3.4793 176.046 3.4543 -1.237656      4.902816  
1 1 1 3   2   4  o 139.459 1.8926 960.131  26.052  933.571  36.810  986.785  36.875  137.495 2.7123 141.361 2.6428 -3.866577      3.786996  
1 1 1 3   2   5  o 262.895 7.7377 3432.34  200.784 3311.00  283.926 3553.73  283.977 257.333 11.178 266.718 10.787 -9.384613      15.53423  
1 1 1 3   2   6  o 143.211 9.0771 1026.11  127.645 950.015  180.457 1102.31  180.579 136.625 13.561 147.578 12.515 -10.95308      18.45309  
1 1 1 3   2   7  o 123.635 1.7366 754.630  21.192  701.153  29.906  808.563  30.033  119.151 2.5429 127.959 2.3779 -8.807152      3.481506  
1 1 1 3   2   8  o 121.527 1.5268 729.000  18.314  709.920  25.848  748.233  25.951  119.914 2.1839 123.109 2.1357 -3.194214      3.054560  
1 1 1 3   2   9  o 184.293 3.0287 1677.10  55.093  1560.51  173.148 1690.24  58.113  177.017 9.9502 185.008 3.1824 -7.990067      10.44675  
1 1 1 3   2   10 o 270.014 3.2445 3600.24  86.470  3530.09  122.331 3670.28  122.244 267.288 4.6368 272.550 4.5441 -5.262360      6.492248  
1 1 1 3   2   11 o 459.382 6.0814 10437.81 275.747 10567.51 389.992 10308.16 389.938 461.728 8.5573 456.002 8.6635 5.725922       12.17719  
1 1 1 3   2   12 o 142.965 1.8592 1008.94  26.235  995.582  37.043  1022.38  37.161  141.999 2.6430 143.897 2.6164 -1.898712      3.718974  
1 1 1 3   2   13 o 265.503 3.2090 3482.02  84.096  3434.20  118.948 3529.80  118.911 263.553 4.5725 267.203 4.5087 -3.649780      6.421546  
1 1 1 3   2   14 o 163.198 2.0956 1315.08  33.757  1242.90  47.694  1387.54  47.784  158.611 3.0465 167.595 2.8886 -8.983826      4.198220  
1 1 1 3   2   15 o 48.328  1.2236 115.291  5.8369  88.753   8.4868  139.111  8.0405  42.395  2.0282 53.083  1.5346 -10.68832      2.543310  
1 1 1 3   2   16 o 41.169  6.5708 86.305   25.803  71.444   36.332  101.429  36.651  37.087  9.7837 44.310  8.6907 -7.223351      13.08618  
1 1 1 3   2   17 o 48.127  7.5113 118.138  34.515  110.353  41.910  134.550  60.851  46.093  9.5268 50.549  12.311 -4.455910      15.56632  
1 1 1 3   2   18 o 127.149 1.7256 798.320  21.656  874.593  31.180  727.226  30.102  133.051 2.3742 121.317 2.5139 11.73401       3.457823  
1 1 1 3   2   19 o 300.091 4.0154 4459.47  118.936 4334.00  168.295 4584.67  168.106 295.306 5.7739 303.786 5.6064 -8.480652      8.047918  
1 1 1 3   2   20 f 52.479  1.7337 136.016  8.9805  117.481  11.075  171.609  15.346  48.758  2.3012 58.918  2.6389 -10.15937      3.501343  
1 1 1 3   2   21 o 66.644  1.4628 219.343  9.6224  277.396  15.407  182.222  12.321  74.921  2.0835 60.724  2.0556 14.19675       2.926866  
1 1 1 3   2   22 o 58.559  1.6262 169.424  9.3993  151.858  13.645  185.287  12.967  55.398  2.4954 61.214  2.1461 -5.815441      3.291280  
1 1 1 3   2   23 o 65.789  1.5269 213.874  9.9152  213.141  14.294  214.553  13.766  65.632  2.2065 65.856  2.1177 -0.2238922     3.058301  
1 1 1 3   2   24 o 44.649  1.9275 98.603   8.4945  104.140  16.058  96.451   10.010  45.622  3.5952 44.078  2.3087 1.544010       4.272703  
1 1 1 3   3   0  o 314.178 3.7114 4878.15  115.094 5019.88  162.785 4736.50  162.749 318.500 5.1781 309.355 5.3300 9.145294       7.431152  
1 1 1 3   3   1  o 86.439  0.9909 368.773  8.4538  366.187  11.969  371.346  11.942  86.132  1.4079 86.736  1.3949 -0.6047363     1.981874  
1 1 1 3   3   2  o 37.336  0.6281 68.799   2.3147  69.961   3.6328  68.005   3.0032  37.649  0.9776 37.120  0.8197 0.5296783      1.275750  
1 1 1 3   3   3  o 17.525  0.7328 15.158   1.2676  14.950   1.8159  15.357   1.7704  17.371  1.0642 17.609  1.0230 -0.2382431     1.476164  
1 1 1 3   3   4  o 290.045 3.4149 4156.06  97.764  4246.51  138.274 4065.66  138.245 293.038 4.7806 286.718 4.8850 6.320618       6.834988  
1 1 1 3   3   5  o 191.041 6.8461 1810.13  129.092 1866.22  182.578 1754.05  182.550 193.524 9.5583 187.298 9.9098 6.226501       13.76824  
1 1 1 3   3   6  o 36.155  6.0504 66.532   20.829  66.470   29.469  66.593   29.444  35.836  8.4660 35.869  8.4546 -0.3380203E-01 11.96472  
1 1 1 3   3   7  o 64.512  0.8781 205.412  5.5915  195.864  7.8365  215.314  7.9806  62.992  1.2604 66.046  1.2242 -3.054054      1.757061  
1 1 1 3   3   8  o 148.764 1.8729 1092.53  27.501  1135.72  38.915  1049.44  38.870  151.654 2.5998 145.776 2.7015 5.877502       3.749222  
1 1 1 3   3   9  o 116.927 1.4764 674.834  17.039  643.549  24.030  706.469  24.164  114.176 2.1323 119.629 2.0464 -5.452744      2.955412  
1 1 1 3   3   10 o 343.726 8.9807 5857.71  304.690 5854.21  430.909 5861.21  430.884 342.829 12.734 343.036 12.726 -0.2068787     18.00307  
1 1 1 3   3   11 o 29.434  1.2538 42.759   3.6427  31.849   5.1528  53.659   5.1502  25.315  2.0806 32.972  1.5825 -7.656729      2.614077  
1 1 1 3   3   12 o 273.192 3.2772 3685.92  88.370  3599.53  124.959 3772.34  124.989 269.872 4.6911 276.284 4.5833 -6.411316      6.558465  
1 1 1 3   3   13 o 88.193  1.2864 383.906  11.198  358.048  15.919  409.235  15.755  85.164  1.8938 91.050  1.7531 -5.886200      2.580620  
1 1 1 3   3   14 o 92.652  1.3343 423.740  12.203  413.218  17.580  433.522  16.951  91.485  1.9469 93.708  1.8327 -2.222755      2.673770  
1 1 1 3   3   15 f 62.207  6.1494 193.826  37.264  192.751  52.186  194.944  53.227  61.554  8.8433 61.883  8.9761 -0.3290710     12.60056  
1 1 1 3   3   16 o 182.432 6.7803 1655.00  122.090 1549.16  171.435 1763.92  173.914 175.475 9.9389 187.453 9.4297 -11.97717      13.70038  
1 1 1 3   3   17 o 218.680 2.7154 2363.19  58.611  2414.03  83.133  2312.95  82.646  220.877 3.8132 216.195 3.8729 4.682388       5.435076  
1 1 1 3   3   18 o 259.185 3.1805 3321.74  81.365  3227.42  115.123 3415.88  115.012 255.216 4.5700 262.591 4.4374 -7.375778      6.369922  
1 1 1 3   3   19 o 110.383 1.5862 601.641  17.282  597.563  24.603  605.612  24.280  109.979 2.2665 110.719 2.2217 -0.7404861     3.173798  
1 1 1 3   3   20 o 174.735 2.2742 1508.66  39.222  1532.57  55.607  1484.99  55.332  176.008 3.2008 173.251 3.2357 2.757782       4.551373  
1 1 1 3   3   21 o 26.410  3.1115 34.995   7.9554  28.614   13.801  38.170   9.7358  23.507  5.9444 27.515  3.6767 -4.008717      6.989551  
1 1 1 3   3   22 o 73.196  1.4920 264.642  10.779  262.598  16.265  266.243  14.394  72.872  2.2614 73.393  1.9870 -0.5207214     3.010276  
1 1 1 3   3   23 o 55.111  1.7347 150.124  9.4364  149.516  13.757  150.665  12.968  54.951  2.5363 55.172  2.3814 -0.2214775     3.479082  
1 1 1 3   3   24 o 75.772  6.4079 292.112  47.475  277.664  67.449  306.297  66.835  72.508  9.6650 76.514  9.0233 -4.005959      13.22239  
1 1 1 3   3   25 o 61.397  6.6353 193.667  39.571  218.948  56.679  169.627  55.272  64.230  9.2034 55.859  10.408 8.370827       13.89326  
1 1 1 3   4   0  o 166.510 2.0533 1368.97  33.745  1418.97  47.755  1319.11  47.692  169.484 2.8547 163.406 2.9569 6.078217       4.110049  
1 1 1 3   4   1  f 125.363 1.5795 775.808  19.544  809.688  27.679  742.122  27.600  128.055 2.1899 122.593 2.2809 5.461952       3.161989  
1 1 1 3   4   2  o 131.006 1.7187 847.241  22.225  872.715  29.773  815.183  33.399  132.947 2.2689 128.479 2.6338 4.467911       3.476267  
1 1 1 3   4   3  o 97.572  1.1416 469.904  10.995  486.263  15.577  453.662  15.521  99.250  1.5901 95.865  1.6403 3.385559       2.284498  
1 1 1 3   4   4  o 147.783 6.3870 1082.28  93.166  1090.84  131.760 1073.72  131.753 147.786 9.0766 146.604 9.1508 1.182877       12.88881  
1 1 1 3   4   5  o 49.647  5.8691 123.793  28.204  116.934  39.880  130.657  39.892  47.735  8.7880 50.619  8.2700 -2.884914      12.06741  
1 1 1 3   4   6  o 208.279 2.7686 2142.90  56.916  2101.62  80.470  2184.23  80.514  206.163 3.9545 210.183 3.8810 -4.020218      5.540731  
1 1 1 3   4   7  o 267.920 3.9376 3548.95  104.129 3546.36  147.262 3551.54  147.259 267.579 5.5758 267.775 5.5716 -0.1962891     7.882377  
1 1 1 3   4   8  o 138.288 1.6862 944.030  23.016  951.133  32.585  936.957  32.514  138.789 2.3787 137.750 2.3914 1.038513       3.372950  
1 1 1 3   4   9  o 106.930 1.4557 564.376  15.364  563.104  21.567  565.687  21.893  106.802 2.0458 107.047 2.0720 -0.2443008     2.911820  
1 1 1 3   4   10 o 501.243 5.7356 12423.35 283.767 12456.93 401.315 12389.77 401.299 501.438 8.1084 500.079 8.1301 1.358826       11.48236  
1 1 1 3   4   11 o 277.070 4.3394 3792.86  118.674 3765.61  128.604 3949.10  307.987 276.045 4.7200 281.854 11.071 -5.809204      12.03492  
1 1 1 3   4   12 o 116.618 1.5758 671.291  18.138  651.301  25.431  691.988  25.878  114.859 2.2432 118.393 2.2144 -3.533836      3.152097  
1 1 1 3   4   13 o 221.850 2.7630 2430.40  60.504  2455.12  85.592  2405.71  85.538  222.911 3.8902 220.654 3.9275 2.256927       5.527984  
1 1 1 3   4   14 o 238.445 7.4864 2822.12  176.195 2861.27  249.201 2782.98  249.154 239.420 10.545 236.085 10.692 3.335434       15.01749  
1 1 1 3   4   15 o 186.102 6.8866 1720.08  126.500 1738.90  178.906 1701.27  178.891 186.281 9.7642 184.217 9.8744 2.063660       13.88680  
1 1 1 3   4   16 o 64.960  1.3361 208.319  8.5671  210.431  12.017  206.136  12.217  65.280  1.8650 64.609  1.9157 0.6706467      2.673621  
1 1 1 3   4   17 o 94.130  1.7346 437.520  16.116  451.789  20.321  413.332  26.458  95.639  2.1526 91.445  2.9313 4.193794       3.636806  
1 1 1 3   4   18 o 152.011 2.0001 1141.28  30.009  1199.53  42.873  1085.32  42.019  155.786 2.7882 148.177 2.8730 7.609146       4.003501  
1 1 1 3   4   19 o 150.132 1.9330 1113.23  28.644  1179.08  41.190  1051.56  39.860  154.452 2.7019 145.855 2.7688 8.596832       3.868642  
1 1 1 3   4   20 o 133.985 1.9368 886.733  25.614  869.463  36.890  902.808  35.591  132.609 2.8184 135.141 2.6682 -2.531784      3.881073  
1 1 1 3   4   21 o 68.316  2.0408 230.595  13.761  328.349  64.016  225.859  14.090  80.431  8.1773 67.608  2.1115 12.82333       8.445499  
1 1 1 3   4   22 o 210.103 2.6819 2184.29  55.616  2157.49  78.825  2210.86  78.483  208.526 3.8297 211.108 3.7665 -2.581802      5.371551  
1 1 1 3   4   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   4   24 o 61.742  6.3567 194.503  38.185  242.909  54.954  149.314  53.096  68.330  8.3198 52.479  10.615 15.85164       13.48709  
1 1 1 3   4   25 o 83.571  1.6317 345.292  13.459  347.552  20.469  343.570  17.864  83.748  2.4762 83.306  2.1726 0.4421082      3.294240  
1 1 1 3   5   0  o 279.256 4.3412 3857.18  119.660 3849.23  129.685 3902.73  310.381 278.913 4.7107 279.133 11.266 -0.2204285     12.21075  
1 1 1 3   5   1  o 92.326  1.1154 420.745  10.164  400.766  14.343  440.897  14.406  90.100  1.6128 94.505  1.5443 -4.404739      2.232994  
1 1 1 3   5   2  o 204.863 2.4634 2072.70  49.812  2127.45  70.462  2018.00  70.427  207.481 3.4407 202.066 3.5311 5.414932       4.930233  
1 1 1 3   5   3  o 215.569 7.1362 2306.66  151.841 2364.84  214.751 2248.49  214.719 217.670 9.9955 212.185 10.252 5.484207       14.31854  
1 1 1 3   5   4  o 134.499 6.2710 896.831  83.251  917.771  117.743 875.897  117.727 135.475 8.8540 132.292 9.0707 3.183273       12.67562  
1 1 1 3   5   5  o 94.679  1.3603 442.495  12.713  456.032  18.032  429.117  17.925  96.106  1.9009 93.226  1.9480 2.880249       2.721789  
1 1 1 3   5   6  o 85.264  1.3072 358.864  11.001  371.383  15.494  346.136  15.623  86.730  1.8099 83.729  1.8904 3.001457       2.617117  
1 1 1 3   5   7  o 61.998  0.8805 189.710  5.3881  177.643  7.6179  201.791  7.6220  59.990  1.2865 63.939  1.2077 -3.948288      1.764590  
1 1 1 3   5   8  o 162.116 2.1909 1297.60  35.058  1293.97  49.590  1301.22  49.568  161.854 3.1041 162.307 3.0941 -0.4532166     4.382805  
1 1 1 3   5   9  o 304.811 3.6395 4589.40  109.499 4657.88  154.879 4520.96  154.831 306.943 5.1121 302.390 5.1875 4.553101       7.283126  
1 1 1 3   5   10 o 418.100 4.8363 8639.21  199.583 8692.41  282.232 8585.99  282.273 419.095 6.8228 416.514 6.8660 2.580750       9.679496  
1 1 1 3   5   11 o 173.056 2.4071 1478.53  41.116  1471.31  52.793  1489.67  65.550  172.613 3.0986 173.661 3.8242 -1.047363      4.921953  
1 1 1 3   5   12 o 264.605 4.9686 3461.16  129.767 3461.16  129.767 0.0000   0.0000  264.605 4.9686 ?       ?      0.000000       4.968576  
1 1 1 3   5   13 o 206.490 7.0837 2112.33  144.374 1955.32  206.244 2263.20  202.168 197.924 10.596 213.396 9.5983 -15.47151      14.29665  
1 1 1 3   5   14 o 77.569  5.7051 299.511  43.374  256.365  61.546  342.083  61.135  71.243  8.9499 82.678  7.5757 -11.43473      11.72569  
1 1 1 3   5   15 o 166.451 2.2315 1368.23  36.662  1311.70  54.506  1414.93  49.544  162.907 3.3898 169.226 2.9662 -6.318985      4.504307  
1 1 1 3   5   16 o 71.786  1.3605 254.394  9.6398  248.603  13.516  260.389  13.752  70.953  1.9300 72.616  1.9187 -1.662674      2.721439  
1 1 1 3   5   17 o 20.980  3.3054 22.295   6.6185  21.945   9.0981  22.688   9.6457  20.645  4.5842 20.983  4.7659 -0.3378220     6.612735  
1 1 1 3   5   18 o 106.264 1.6851 557.594  17.674  529.857  24.496  587.713  25.526  103.558 2.3965 109.066 2.3711 -5.508629      3.371278  
1 1 1 3   5   19 o 293.748 3.5377 4269.64  102.572 4326.97  145.046 4212.29  145.071 295.336 4.9757 291.376 5.0442 3.960724       7.085332  
1 1 1 3   5   20 o 140.346 2.3372 973.308  32.376  962.029  40.093  994.451  54.890  139.482 2.9122 141.699 3.9246 -2.217789      4.887034  
1 1 1 3   5   21 o 107.357 1.7182 569.257  18.207  547.515  26.494  588.714  25.063  105.236 2.5507 109.140 2.3266 -3.903633      3.452391  
1 1 1 3   5   22 o 168.781 6.8303 1428.77  113.788 1498.57  161.200 1359.46  160.643 171.297 9.5724 162.853 10.043 8.443695       13.87408  
1 1 1 3   5   23 o 33.612  7.2039 59.179   23.181  55.778   33.055  62.469   32.519  32.600  9.6155 34.312  9.3478 -1.712490      13.41038  
1 1 1 3   5   24 o 34.239  2.3666 58.322   7.9488  61.128   12.752  56.538   10.165  34.850  3.7671 33.612  3.0989 1.238850       4.877968  
1 1 1 3   5   25 o 37.436  2.2187 69.630   8.1618  75.489   13.217  66.018   10.377  38.802  3.4884 36.358  2.9160 2.444073       4.546659  
1 1 1 3   6   0  o 94.681  1.1829 442.469  11.054  450.961  15.673  434.061  15.594  95.579  1.6613 93.770  1.6849 1.808426       2.366173  
1 1 1 3   6   1  o 163.429 2.2561 1318.89  36.393  1395.66  45.343  1179.89  61.012  168.096 2.7329 154.484 4.0013 13.61226       4.845471  
1 1 1 3   6   2  o 344.251 5.2291 5868.22  177.678 5974.45  251.294 5762.03  251.255 346.792 7.3414 340.530 7.4752 6.261688       10.47738  
1 1 1 3   6   3  o 98.810  6.0621 485.859  58.838  465.146  83.216  506.566  83.203  96.216  8.8621 100.517 8.4650 -4.300995      12.25535  
1 1 1 3   6   4  o 233.356 3.7616 2692.24  86.641  2775.79  122.570 2608.80  122.487 236.751 5.2452 229.494 5.4074 7.256943       7.533340  
1 1 1 3   6   5  o 83.741  1.0724 346.137  8.8640  356.831  12.575  335.575  12.497  85.019  1.4985 82.448  1.5356 2.571663       2.145587  
1 1 1 3   6   6  o 177.002 2.2217 1547.10  38.815  1588.98  54.922  1505.31  54.865  179.331 3.1028 174.541 3.1846 4.790405       4.446292  
1 1 1 3   6   7  o 17.331  1.5571 14.947   2.6351  11.062   3.7130  18.889   3.7403  14.742  2.6491 19.460  1.9747 -4.717401      3.304117  
1 1 1 3   6   8  o 92.591  1.4567 423.168  13.313  416.044  18.872  430.225  18.782  91.800  2.0828 93.352  2.0384 -1.552109      2.914273  
1 1 1 3   6   9  o 359.203 5.0374 6378.54  178.598 6382.37  252.530 6374.71  252.622 359.006 7.1265 358.789 7.1334 0.2166748      10.08332  
1 1 1 3   6   10 o 429.377 4.9640 9112.41  210.378 9189.28  297.571 9035.60  297.467 430.865 6.9971 427.236 7.0540 3.628448       9.935718  
1 1 1 3   6   11 o 493.739 5.6665 12054.81 276.148 12090.27 390.535 12019.34 390.530 493.977 8.0098 492.520 8.0334 1.456787       11.34422  
1 1 1 3   6   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   6   13 o 89.088  6.1428 394.681  53.685  378.814  76.463  410.107  75.393  86.876  9.0498 90.508  8.5404 -3.632729      12.44336  
1 1 1 3   6   14 o 148.398 2.0734 1087.28  30.370  1111.01  40.932  1058.23  45.299  149.983 2.7650 146.361 3.1357 3.621933       4.180598  
1 1 1 3   6   15 o 121.013 1.6908 722.980  20.195  732.018  28.422  713.766  28.700  121.745 2.3652 120.216 2.4187 1.529358       3.382987  
1 1 1 3   6   16 o 37.330  1.1350 68.788   4.1820  72.933   9.9243  67.893   4.6114  38.330  2.6393 37.086  1.2598 1.244503       2.924497  
1 1 1 3   6   17 o 130.236 1.8320 837.607  23.550  827.769  33.182  847.592  33.428  129.428 2.5974 130.970 2.5858 -1.541275      3.665138  
1 1 1 3   6   18 o 120.344 1.8633 715.247  22.133  693.781  29.697  742.070  33.197  118.490 2.5392 122.530 2.7449 -4.040924      3.739254  
1 1 1 3   6   19 o 65.386  1.7996 211.141  11.614  192.216  18.554  223.333  14.892  62.348  3.0150 67.235  2.2441 -4.886505      3.758491  
1 1 1 3   6   20 o 38.917  2.3515 75.114   8.9902  66.825   12.578  83.771   12.854  36.576  3.5279 41.027  3.1995 -4.451023      4.762690  
1 1 1 3   6   21 o 58.290  6.4564 171.562  36.523  184.267  51.787  158.990  51.517  59.823  9.0534 55.288  9.7990 4.534977       13.34108  
1 1 1 3   6   22 o 192.297 7.0297 1855.40  133.426 1923.70  188.854 1787.33  188.532 194.023 9.8943 186.757 10.267 7.265701       14.25867  
1 1 1 3   6   23 f 66.964  2.0887 221.734  13.805  235.604  20.568  210.363  18.623  68.952  3.0221 65.165  2.8954 3.787079       4.185246  
1 1 1 3   6   24 o 80.819  1.6396 322.862  13.079  338.723  20.757  312.417  16.844  82.689  2.5432 79.456  2.1477 3.232796       3.328745  
1 1 1 3   6   25 o 95.930  1.7837 455.124  16.889  465.132  25.187  446.949  22.766  96.859  2.6345 94.979  2.4284 1.879311       3.582963  
1 1 1 3   6   26 o 20.679  4.0498 22.092   7.9704  28.523   12.523  17.713   10.334  23.310  5.5269 18.529  5.3510 4.780756       7.692803  
1 1 1 3   7   0  o 322.002 3.7812 5122.05  120.178 5050.38  169.944 5193.73  169.971 319.582 5.3875 324.095 5.3134 -4.512512      7.566853  
1 1 1 3   7   1  o 116.203 1.9553 666.608  22.426  606.669  138.405 668.224  22.726  109.369 13.081 116.343 1.9791 -6.973885      13.22945  
1 1 1 3   7   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   7   3  o 190.803 3.2779 1798.77  61.733  1803.48  87.313  1794.07  87.294  190.942 4.6328 190.442 4.6440 0.5001373      6.559673  
1 1 1 3   7   4  o 38.038  0.7529 71.410   2.8268  67.719   3.6431  76.994   4.4813  37.041  0.9965 39.495  1.1496 -2.454395      1.521316  
1 1 1 3   7   5  o 53.821  0.8306 142.971  4.4124  134.723  5.8886  153.529  6.6630  52.244  1.1419 55.771  1.2104 -3.526806      1.664051  
1 1 1 3   7   6  o 242.204 3.4333 2898.65  82.077  2885.56  116.049 2911.75  116.101 241.507 4.8683 242.602 4.8485 -1.095764      6.870846  
1 1 1 3   7   7  o 412.195 5.1644 8404.98  210.115 8461.93  297.117 8348.00  297.177 413.107 7.2867 410.303 7.3380 2.803894       10.34131  
1 1 1 3   7   8  o 171.123 2.1136 1445.65  35.700  1441.45  50.424  1449.88  50.550  170.845 2.9902 171.344 2.9889 -0.4989014     4.227890  
1 1 1 3   7   9  o 335.272 4.2958 5554.21  142.158 5516.84  201.040 5591.59  201.044 333.937 6.0994 336.197 6.0585 -2.260101      8.596938  
1 1 1 3   7   10 o 309.579 3.6777 4733.83  112.378 4731.45  158.924 4736.21  158.930 309.371 5.2045 309.527 5.2020 -0.1559143     7.358495  
1 1 1 3   7   11 o 296.342 5.6889 4342.99  166.402 4466.43  342.014 4304.71  190.465 299.553 11.567 294.934 6.5427 4.619110       13.28955  
1 1 1 3   7   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   7   13 o 225.290 3.6323 2507.52  80.771  2341.94  229.008 2531.05  86.318  216.847 10.700 226.328 3.8639 -9.481094      11.37584  
1 1 1 3   7   14 o 55.884  1.3820 154.158  7.6231  162.565  10.290  143.933  11.349  57.384  1.8168 53.992  2.1296 3.391865       2.799247  
1 1 1 3   7   15 o 196.618 2.5544 1909.52  49.574  1921.01  68.989  1897.26  71.283  197.130 3.5457 195.894 3.6867 1.235641       5.114988  
1 1 1 3   7   16 o 145.687 1.9487 1048.13  28.022  1065.47  39.577  1030.69  39.681  146.843 2.7306 144.423 2.7836 2.420181       3.899331  
1 1 1 3   7   17 o 55.574  1.4935 152.485  8.1921  156.020  11.351  148.642  11.834  56.204  2.0462 54.856  2.1857 1.348171       2.994034  
1 1 1 3   7   18 o 88.843  1.5401 389.725  13.506  391.927  18.378  387.140  19.914  89.075  2.0903 88.522  2.2792 0.5531769      3.092545  
1 1 1 3   7   19 o 59.010  1.6569 171.953  9.6505  167.111  13.271  177.386  14.058  58.156  2.3120 59.916  2.3772 -1.759205      3.316056  
1 1 1 3   7   20 o 101.353 5.8691 512.780  58.463  483.085  82.467  542.782  82.892  97.713  8.6396 103.749 8.1605 -6.035706      11.88426  
1 1 1 3   7   21 o 60.871  5.9363 186.302  35.212  198.636  49.906  174.075  49.690  62.343  8.3176 58.134  8.9467 4.209190       12.21578  
1 1 1 3   7   22 o 174.583 2.4599 1507.24  42.389  1547.97  62.589  1472.73  57.613  176.726 3.5881 172.418 3.3853 4.308197       4.933050  
1 1 1 3   7   23 o 57.422  2.5995 163.215  14.733  270.745  55.103  154.936  15.290  72.715  7.7992 55.936  2.7694 16.77933       8.276305  
1 1 1 3   7   24 o 55.865  1.6064 154.251  8.8580  155.583  10.895  151.654  15.215  56.084  1.9680 55.238  2.7998 0.8464737      3.422330  
1 1 1 3   7   25 o 51.325  2.2391 130.447  11.343  124.326  15.232  138.068  16.995  49.934  3.1059 52.599  3.2901 -2.665375      4.524526  
1 1 1 3   7   26 o 40.764  1.5874 82.171   6.3872  92.295   14.772  79.843   7.0837  42.899  3.5196 40.172  1.7865 2.726433       3.947016  
1 1 1 3   8   0  o 219.452 2.7535 2377.82  59.643  2508.72  81.457  2226.52  87.572  225.373 3.6618 212.293 4.1792 13.07962       5.556500  
1 1 1 3   8   1  o 437.668 14.942 9588.20  645.474 9588.20  645.474 0.0000   0.0000  437.668 14.942 ?       ?      0.000000       14.94171  
1 1 1 3   8   2  o 142.385 9.0905 1010.47  127.090 1010.47  127.090 0.0000   0.0000  142.385 9.0905 ?       ?      0.000000       9.090450  
1 1 1 3   8   3  o 125.688 1.6566 779.804  20.551  793.387  27.546  762.750  30.864  126.768 2.2014 124.289 2.5159 2.478928       3.343043  
1 1 1 3   8   4  o 148.485 1.8899 1088.43  27.699  1083.02  37.168  1095.18  41.539  148.098 2.5427 148.918 2.8260 -0.8201141     3.801540  
1 1 1 3   8   5  o 130.214 1.6604 836.986  21.340  784.597  30.097  889.950  30.262  126.057 2.4190 134.257 2.2836 -8.200249      3.326602  
1 1 1 3   8   6  o 227.803 2.9618 2562.89  66.597  2467.93  94.136  2658.05  94.229  223.458 4.2680 231.918 4.1164 -8.459473      5.929660  
1 1 1 3   8   7  o 212.534 2.8536 2230.63  59.863  2196.44  84.633  2264.85  84.686  210.833 4.0669 214.095 4.0075 -3.261902      5.709621  
1 1 1 3   8   8  f 104.354 1.5360 537.511  15.821  550.691  22.337  524.243  22.411  105.617 2.1427 103.049 2.2034 2.568382       3.073409  
1 1 1 3   8   9  o 82.150  1.0803 333.080  8.7596  337.100  12.376  329.044  12.400  82.641  1.5172 81.647  1.5387 0.9937286      2.160894  
1 1 1 3   8   10 o 296.358 4.4768 4340.04  130.953 4311.74  185.153 4368.38  185.237 295.199 6.3545 297.136 6.3160 -1.937195      8.959424  
1 1 1 3   8   11 f 300.439 8.3142 4475.39  246.554 4470.35  348.667 4480.43  348.692 299.568 11.792 299.909 11.779 -0.3405762     16.66734  
1 1 1 3   8   12 o 81.877  1.4059 330.889  11.362  343.758  16.088  318.086  16.047  83.448  1.9533 80.271  2.0254 3.177177       2.813791  
1 1 1 3   8   13 o 299.125 3.5821 4420.62  105.761 4352.78  149.518 4488.56  149.620 296.654 5.1063 301.255 5.0318 -4.600983      7.168936  
1 1 1 3   8   14 o 153.150 3.5811 1159.15  54.133  1210.29  143.368 1150.65  58.460  155.587 9.3795 152.569 3.8821 3.017899       10.15114  
1 1 1 3   8   15 o 171.609 2.3198 1454.47  39.293  1409.11  57.829  1493.38  53.554  168.834 3.4702 173.836 3.1212 -5.002487      4.667336  
1 1 1 3   8   16 o 127.654 2.1201 804.832  26.713  758.069  50.064  823.445  31.586  123.760 4.0984 129.104 2.4787 -5.343262      4.789613  
1 1 1 3   8   17 o 52.311  1.4243 135.105  7.3541  135.312  11.810  134.974  9.3990  52.335  2.2862 52.279  1.8214 0.5548477E-01  2.923052  
1 1 1 3   8   18 o 46.404  1.7777 106.344  8.1425  98.725   11.358  114.401  11.679  44.619  2.5901 48.052  2.4708 -3.432571      3.579594  
1 1 1 3   8   19 f 235.260 7.5164 2766.41  174.538 2813.43  246.728 2719.32  246.942 235.783 10.602 231.698 10.798 4.084473       15.13237  
1 1 1 3   8   20 o 194.603 8.1194 1899.09  155.958 2059.21  267.979 1817.07  191.783 199.337 13.703 189.181 10.310 10.15611       17.14837  
1 1 1 3   8   21 o 73.008  1.7059 263.264  12.293  253.654  17.559  272.502  17.216  71.631  2.4834 74.251  2.3490 -2.620300      3.418396  
1 1 1 3   8   22 o 68.111  1.9875 229.254  13.362  234.454  17.303  221.572  21.031  68.850  2.5462 66.891  3.1854 1.959221       4.077924  
1 1 1 3   8   23 o 153.611 2.2276 1167.07  33.774  1199.26  47.125  1133.06  48.430  155.563 3.0691 151.171 3.2457 4.391220       4.466974  
1 1 1 3   8   24 o 71.751  9.2567 270.444  64.027  257.858  90.415  283.105  90.682  67.555  14.019 71.246  13.387 -3.690819      19.38394  
1 1 1 3   8   25 o 50.288  2.1493 125.210  10.668  121.939  15.191  128.394  14.985  49.441  3.1291 50.759  3.0044 -1.317329      4.337890  
1 1 1 3   8   26 f 47.972  1.7787 113.855  8.4220  120.972  16.001  111.128  9.9052  49.189  3.3150 47.369  2.1185 1.819626       3.934104  
1 1 1 3   9   0  o 378.905 13.511 7164.29  505.318 0.0000   0.0000  7164.29  505.318 ?       ?      378.905 13.511 0.000000       13.51142  
1 1 1 3   9   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   9   2  o 367.199 5.5997 6667.40  202.957 6597.88  248.601 6806.32  351.443 365.096 6.8986 370.302 9.6154 -5.205902      11.83411  
1 1 1 3   9   3  o 95.049  8.6892 451.744  80.618  451.744  80.618  0.0000   0.0000  95.049  8.6892 ?       ?      0.000000       8.689215  
1 1 1 3   9   4  o 306.180 3.9570 4631.44  119.586 4623.10  167.492 4640.11  170.797 305.749 5.5500 306.299 5.6494 -0.5503235     7.919510  
1 1 1 3   9   5  o 145.579 1.9294 1046.19  27.724  1069.66  36.416  1013.85  42.758  147.189 2.5066 143.284 3.0233 3.905273       3.927243  
1 1 1 3   9   6  o 351.589 4.4466 6108.87  154.310 6085.51  218.240 6132.22  218.214 350.676 6.3052 352.023 6.2803 -1.347015      8.899256  
1 1 1 3   9   7  o 306.757 3.5948 4648.04  108.843 4632.66  153.920 4663.41  153.936 306.114 5.0942 307.130 5.0779 -1.016052      7.192783  
1 1 1 3   9   8  o 359.246 4.5492 6377.90  161.309 6553.53  228.161 6202.37  228.090 363.924 6.3518 354.013 6.5276 9.910706       9.107978  
1 1 1 3   9   9  f 229.668 3.9229 2605.79  88.928  2592.75  116.642 2623.90  137.426 229.009 5.1602 230.306 6.0455 -1.296783      7.948329  
1 1 1 3   9   10 o 270.088 7.8698 3615.12  209.799 3631.09  296.715 3599.15  296.687 270.124 11.129 268.923 11.177 1.200562       15.77275  
1 1 1 3   9   11 o 447.837 5.5776 9920.05  246.549 9894.88  348.774 9945.19  348.572 446.764 7.9092 447.905 7.8845 -1.140686      11.16785  
1 1 1 3   9   12 o 196.303 2.7240 1902.89  52.780  1908.31  74.607  1897.45  74.678  196.526 3.8461 195.965 3.8608 0.5609131      5.449674  
1 1 1 3   9   13 o 225.636 2.7503 2514.33  61.252  2533.32  86.658  2495.38  86.588  226.408 3.8778 224.704 3.9040 1.703766       5.502619  
1 1 1 3   9   14 o 172.650 2.4207 1472.08  41.252  1465.89  58.253  1478.31  58.426  172.227 3.4268 172.955 3.4225 -0.7283478     4.843142  
1 1 1 3   9   15 o 195.346 6.9774 1896.80  134.534 1944.39  190.283 1849.24  190.236 197.103 9.7808 191.886 10.080 5.217392       14.04494  
1 1 1 3   9   16 o 120.650 1.7232 718.767  20.520  684.989  28.789  753.653  29.257  117.747 2.4771 123.512 2.3999 -5.764778      3.448960  
1 1 1 3   9   17 o 147.092 2.2124 1068.86  32.121  1002.56  53.160  1106.98  40.312  142.320 3.7843 149.653 2.7291 -7.333664      4.665712  
1 1 1 3   9   18 o 138.553 6.5285 956.339  89.282  940.784  126.097 971.978  126.433 136.429 9.4218 138.728 9.2871 -2.298843      13.22948  
1 1 1 3   9   19 o 323.639 8.7931 5263.42  280.890 5440.85  397.229 5085.96  397.248 326.235 12.336 315.020 12.776 11.21454       17.75954  
1 1 1 3   9   20 o 119.310 1.8972 703.154  22.342  727.329  31.757  679.463  31.437  121.290 2.6526 117.226 2.7170 4.064102       3.797163  
1 1 1 3   9   21 o 99.585  1.7960 489.882  17.654  470.133  25.077  509.284  24.857  97.508  2.6056 101.496 2.4812 -3.988045      3.597984  
1 1 1 3   9   22 o 121.331 1.9916 727.506  23.851  731.354  32.384  722.945  35.258  121.582 2.6985 120.852 2.9558 0.7310181      4.002370  
1 1 1 3   9   23 o 78.492  1.7725 304.485  13.732  291.244  19.455  317.629  19.385  76.707  2.5696 80.117  2.4514 -3.409912      3.551374  
1 1 1 3   9   24 o 32.627  2.9362 53.226   9.3544  61.203   13.665  46.191   12.833  34.818  4.0519 30.104  4.4532 4.714417       6.020682  
1 1 1 3   9   25 f 90.683  2.6731 407.931  23.926  378.183  24.860  781.663  88.115  87.276  2.8858 123.328 7.2707 -36.05172      7.822518  
1 1 1 3   9   26 o 30.612  7.5413 50.188   22.637  55.499   31.732  44.684   32.303  32.024  9.4142 29.317  9.6428 2.706562       13.47632  
1 1 1 3   10  0  o 135.776 6.3386 912.293  84.947  951.821  120.188 872.837  120.078 138.228 8.8556 132.286 9.2547 5.942490       12.80903  
1 1 1 3   10  1  o 87.441  1.1287 377.371  9.7411  369.737  13.922  384.693  13.635  86.548  1.6297 88.282  1.5648 -1.733749      2.259262  
1 1 1 3   10  2  o 140.222 1.7941 970.570  24.831  960.004  35.824  980.342  34.450  139.441 2.6028 140.913 2.4769 -1.472168      3.593021  
1 1 1 3   10  3  o 349.765 4.3404 6044.71  149.844 6068.65  225.318 6025.73  200.644 350.195 6.5186 349.049 5.8238 1.145752       8.741185  
1 1 1 3   10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   10  5  o 248.198 3.2741 3042.30  80.210  3028.22  113.433 3056.39  113.434 247.536 4.6427 248.686 4.6212 -1.149979      6.550592  
1 1 1 3   10  6  o 385.051 5.1878 7330.06  197.167 7182.88  286.316 7462.80  271.913 380.777 7.6180 388.223 7.0960 -7.446289      10.41092  
1 1 1 3   10  7  o 377.535 5.2951 7047.29  197.317 7173.00  247.423 6827.67  327.043 380.694 6.5846 370.972 8.9316 9.722168       11.09643  
1 1 1 3   10  8  o 133.578 9.0353 889.391  118.426 889.391  118.426 0.0000   0.0000  133.578 9.0353 ?       ?      0.000000       9.035256  
1 1 1 3   10  9  o 72.896  8.7143 267.319  61.457  267.319  61.457  0.0000   0.0000  72.896  8.7143 ?       ?      0.000000       8.714342  
1 1 1 3   10  10 o 108.612 1.7465 582.308  18.723  580.412  26.123  584.312  26.848  108.423 2.4410 108.786 2.5004 -0.3624802     3.494301  
1 1 1 3   10  11 f 335.019 4.9246 5548.42  162.845 5427.05  230.252 5669.89  230.344 331.044 7.0467 338.394 6.8964 -7.349884      9.859816  
1 1 1 3   10  12 o 142.627 2.0062 1004.29  28.243  1017.27  39.727  991.025  40.160  143.522 2.8044 141.656 2.8723 1.865723       4.014297  
1 1 1 3   10  13 f 255.171 3.2334 3216.92  81.438  3120.86  120.562 3297.53  110.444 251.161 4.8632 258.237 4.3330 -7.076202      6.513528  
1 1 1 3   10  14 o 361.803 4.5925 6477.91  164.003 6449.46  214.241 6518.19  254.889 360.655 6.0183 362.229 7.1291 -1.575012      9.329751  
1 1 1 3   10  15 o 13.281  0.9042 8.7463   1.1783  10.629   1.4568  5.1847   2.0036  14.639  1.0145 10.060  2.0862 4.579094       2.319758  
1 1 1 3   10  16 o 108.638 2.4059 583.109  25.798  572.987  26.818  708.638  94.443  107.685 2.5232 118.817 8.1013 -11.13241      8.485124  
1 1 1 3   10  17 f 23.760  7.0382 28.559   17.678  30.604   25.333  26.619   24.681  25.469  8.5449 24.277  8.4270 1.192331       12.00120  
1 1 1 3   10  18 f 139.489 6.4467 969.497  88.758  1047.77  125.654 891.548  125.393 144.139 8.8752 132.657 9.6425 11.48227       13.10523  
1 1 1 3   10  19 o 111.963 1.7369 619.122  19.195  644.124  27.293  594.654  27.000  114.161 2.4222 109.685 2.4939 4.476257       3.476570  
1 1 1 3   10  20 o 117.616 1.7823 683.281  20.690  676.503  29.307  690.016  29.214  116.980 2.5382 118.145 2.5052 -1.165123      3.566313  
1 1 1 3   10  21 o 161.018 2.3968 1281.73  38.093  1281.97  55.779  1281.52  52.148  160.876 3.5128 160.885 3.2839 -0.9017944E-02 4.808694  
1 1 1 3   10  22 o 78.304  1.6574 302.900  12.810  310.294  19.799  297.576  16.801  79.203  2.5326 77.585  2.1939 1.618095       3.350752  
1 1 1 3   10  23 o 134.458 2.1258 894.090  28.213  866.659  41.013  918.729  38.871  132.217 3.1427 136.178 2.8919 -3.961151      4.270786  
1 1 1 3   10  24 o 103.767 1.9155 532.587  19.618  545.511  26.957  518.034  28.605  104.920 2.6031 102.204 2.8356 2.715591       3.849250  
1 1 1 3   10  25 o 116.883 6.5713 698.032  75.504  697.560  106.477 698.508  107.084 114.767 9.4845 114.803 9.5365 -0.3623962E-01 13.44990  
1 1 1 3   10  26 o 91.256  3.6603 415.589  32.969  395.364  35.484  543.304  89.167  88.899  4.0439 101.217 9.0196 -12.31831      9.884668  
1 1 1 3   11  0  o 206.794 2.7048 2111.75  55.209  2149.88  78.088  2073.64  78.066  208.592 3.7927 204.856 3.8608 3.736313       5.412086  
1 1 1 3   11  1  o 156.633 1.9303 1211.14  29.843  1187.77  42.152  1234.62  42.255  155.093 2.7536 158.123 2.7074 -3.030518      3.861629  
1 1 1 3   11  2  o 103.961 1.3566 533.457  13.921  535.821  19.668  531.083  19.705  104.185 1.9126 103.723 1.9248 0.4618301      2.713445  
1 1 1 3   11  3  o 210.366 2.5709 2185.03  53.381  2079.09  75.439  2291.27  75.546  205.151 3.7255 215.374 3.5537 -10.22339      5.148642  
1 1 1 3   11  4  o 382.510 4.9248 7232.96  185.938 7026.10  298.585 7363.98  237.639 376.478 8.0352 385.764 6.2411 -9.285675      10.17425  
1 1 1 3   11  5  o 151.520 3.0203 1133.76  45.170  1094.48  47.810  1460.16  137.832 148.865 3.2538 171.617 8.1369 -22.75101      8.763360  
1 1 1 3   11  6  o 141.942 1.8495 994.556  25.912  986.717  37.259  1001.90  36.062  141.363 2.6703 142.449 2.5648 -1.086105      3.702532  
1 1 1 3   11  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   11  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   11  9  o 314.459 4.0007 4886.08  124.175 4701.70  170.740 5093.09  180.921 308.288 5.6111 320.849 5.7129 -12.56110      8.007563  
1 1 1 3   11  10 o 150.596 2.2733 1119.66  33.791  1068.31  47.564  1171.98  48.014  147.074 3.2765 154.049 3.1578 -6.975174      4.550505  
1 1 1 3   11  11 o 259.509 3.4520 3327.03  88.421  3323.11  124.905 3330.97  125.189 259.221 4.8817 259.527 4.8871 -0.3056946     6.907614  
1 1 1 3   11  12 o 160.907 2.4273 1278.52  38.550  1274.54  50.308  1284.19  60.001  160.623 3.1732 161.197 3.7711 -0.5739746     4.928522  
1 1 1 3   11  13 o 229.016 2.9104 2591.06  65.790  2508.26  89.301  2689.34  97.293  225.223 4.0171 233.186 4.2271 -7.963776      5.831428  
1 1 1 3   11  14 o 105.326 1.7407 547.729  18.096  513.038  25.279  584.195  25.918  101.911 2.5131 108.753 2.4145 -6.841858      3.484983  
1 1 1 3   11  15 o 185.747 2.3986 1704.48  43.977  1704.67  62.137  1704.29  62.248  185.663 3.3907 185.641 3.3972 0.2142334E-01  4.799765  
1 1 1 3   11  16 o 96.106  8.7965 466.812  82.518  405.648  116.430 528.541  116.968 87.986  13.866 101.373 11.917 -13.38635      18.28329  
1 1 1 3   11  17 f 145.211 6.5088 1050.78  93.290  1065.35  132.018 1036.25  131.848 145.223 9.2583 143.174 9.3817 2.048721       13.18079  
1 1 1 3   11  18 o 63.326  1.3916 198.006  8.6980  175.422  13.436  214.297  11.412  59.582  2.2847 65.871  1.7552 -6.289028      2.881096  
1 1 1 3   11  19 o 42.715  1.5845 90.104   6.6804  81.115   11.773  94.373   8.1131  40.386  2.9742 43.709  1.8805 -3.323013      3.518845  
1 1 1 3   11  20 o 132.239 1.9890 863.985  25.961  897.125  36.329  829.401  37.113  134.685 2.7328 129.484 2.9038 5.200928       3.987513  
1 1 1 3   11  21 o 158.874 2.3246 1247.80  36.453  1245.36  51.667  1250.23  51.438  158.581 3.3009 158.895 3.2797 -0.3132629     4.653213  
1 1 1 3   11  22 o 51.753  2.1706 132.417  11.088  131.342  16.114  133.385  15.281  51.392  3.1924 51.814  3.0008 -0.4224014     4.381394  
1 1 1 3   11  23 f 104.918 1.8890 544.185  19.562  545.863  27.912  542.565  27.423  104.986 2.6936 104.674 2.6543 0.3123169      3.781602  
1 1 1 3   11  24 o 75.898  6.5754 294.077  48.772  298.607  68.997  289.553  68.952  75.166  9.5127 73.916  9.6839 1.250351       13.57454  
1 1 1 3   11  25 o 33.836  4.2992 58.197   14.034  72.581   21.331  47.218   18.635  37.402  5.9794 29.897  6.5004 7.504951       8.832240  
1 1 1 3   11  26 o 115.644 3.5253 667.183  40.240  802.999  110.991 646.630  43.177  122.796 9.2247 113.732 3.8463 9.064133       9.994476  
1 1 1 3   12  0  o 163.994 2.0430 1327.88  33.069  1299.30  46.685  1356.66  46.848  162.180 2.9164 165.725 2.8640 -3.544510      4.087531  
1 1 1 3   12  1  o 265.774 3.2033 3489.46  84.031  3452.94  118.832 3525.98  118.845 264.246 4.5561 267.032 4.5090 -2.785553      6.410081  
1 1 1 3   12  2  o 350.058 4.5895 6058.66  158.578 6034.57  224.273 6082.74  224.254 349.040 6.5098 350.435 6.4833 -1.395477      9.187566  
1 1 1 3   12  3  o 228.090 3.0225 2569.43  68.047  2487.12  101.394 2636.89  91.787  224.298 4.5799 230.998 4.0257 -6.699539      6.097670  
1 1 1 3   12  4  o 140.944 1.8327 980.644  25.496  947.966  36.000  1013.53  36.114  138.556 2.6323 143.270 2.5538 -4.713516      3.667541  
1 1 1 3   12  5  o 337.018 3.9614 5611.52  131.775 5466.56  186.292 5756.68  186.423 332.447 5.6773 341.173 5.5359 -8.726501      7.929546  
1 1 1 3   12  6  f 58.402  6.3054 170.739  35.771  170.069  50.304  171.424  50.876  57.849  9.1113 58.072  9.1812 -0.2228165     12.93482  
1 1 1 3   12  7  o 116.963 7.2775 680.199  83.600  677.764  145.685 681.394  102.080 115.825 12.966 116.849 8.9181 -1.023354      15.73654  
1 1 1 3   12  8  o 201.855 3.1073 2012.21  61.909  1968.30  82.658  2068.32  93.435  199.585 4.1959 204.566 4.6274 -4.980682      6.246506  
1 1 1 3   12  9  o 329.767 4.4085 5375.78  143.494 5210.19  192.865 5581.09  214.759 324.414 6.0231 335.681 6.4817 -11.26639      8.848196  
1 1 1 3   12  10 o 294.192 4.1032 4277.98  119.147 4201.94  160.478 4371.38  177.857 291.374 5.5800 297.114 6.0648 -5.739777      8.241196  
1 1 1 3   12  11 f 214.451 2.8421 2271.53  60.160  2178.79  84.815  2365.44  85.346  209.934 4.0931 218.754 3.9527 -8.819916      5.690115  
1 1 1 3   12  12 o 195.814 2.7854 1894.07  53.834  1875.84  75.829  1912.60  76.441  194.779 3.9442 196.679 3.9377 -1.899796      5.573334  
1 1 1 3   12  13 o 175.922 2.5096 1528.74  43.577  1507.71  58.400  1555.15  65.456  174.644 3.3879 177.338 3.7395 -2.694397      5.045940  
1 1 1 3   12  14 o 119.682 1.8491 707.313  21.844  714.649  29.381  698.247  32.662  120.273 2.4750 118.869 2.7839 1.404556       3.724946  
1 1 1 3   12  15 o 75.531  8.8807 289.687  64.944  289.687  64.944  0.0000   0.0000  75.531  8.8807 ?       ?      0.000000       8.880750  
1 1 1 3   12  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   12  17 o 85.781  2.3174 363.629  19.621  407.550  75.016  360.404  20.329  89.680  8.5793 85.395  2.4118 4.285225       8.911864  
1 1 1 3   12  18 o 115.079 1.8283 654.147  20.767  638.167  29.691  669.453  29.057  113.611 2.6477 116.372 2.5297 -2.760780      3.661927  
1 1 1 3   12  19 o 13.804  4.6949 8.7210   7.6488  11.577   10.322  5.2427   11.391  15.938  5.4539 14.002  5.5464 1.936504       7.778636  
1 1 1 3   12  20 o 71.857  2.0341 255.138  14.427  254.439  18.880  256.120  22.366  71.726  2.6668 71.933  3.1501 -0.2063293     4.127317  
1 1 1 3   12  21 o 16.781  5.4934 13.486   10.488  9.5164   15.285  17.018   14.418  16.889  6.5015 19.088  6.4461 -2.199392      9.155454  
1 1 1 3   12  22 f 62.150  1.8331 190.881  11.245  211.433  17.676  176.910  14.574  65.356  2.7401 59.799  2.4692 5.556526       3.688530  
1 1 1 3   12  23 o 270.694 8.1577 3739.98  217.961 3913.80  308.321 3566.34  308.165 272.557 11.461 259.330 12.039 13.22720       16.62198  
1 1 1 3   12  24 o 43.870  2.3172 95.588   9.9984  141.081  48.160  93.539   10.221  51.075  9.9107 43.386  2.3961 7.688396       10.19626  
1 1 1 3   12  25 o 26.407  4.9471 36.189   12.420  31.003   17.306  41.699   17.837  24.258  6.8995 28.036  6.5617 -3.777971      9.521544  
1 1 1 3   12  26 o 63.754  2.3409 201.612  14.731  210.952  20.920  192.428  20.746  64.979  3.2723 62.022  3.4018 2.956940       4.720233  
1 1 1 3   13  0  o 115.876 1.4711 662.871  16.825  640.137  23.704  685.954  23.885  113.852 2.1094 117.858 2.0532 -4.006020      2.943650  
1 1 1 3   13  1  f 204.543 2.5118 2066.49  50.712  2065.28  71.707  2067.69  71.727  204.398 3.5543 204.518 3.5532 -0.1196747     5.025744  
1 1 1 3   13  2  o 183.794 2.2916 1668.15  41.572  1624.43  58.803  1711.85  58.781  181.310 3.2858 186.131 3.1995 -4.820969      4.586244  
1 1 1 3   13  3  o 196.481 2.3871 1906.38  46.293  1855.48  65.418  1957.43  65.520  193.778 3.4203 199.037 3.3351 -5.258347      4.777117  
1 1 1 3   13  4  o 232.499 2.9570 2670.08  67.860  2631.71  95.926  2708.51  96.010  230.719 4.2123 234.067 4.1557 -3.348099      5.917204  
1 1 1 3   13  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   13  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   13  7  o 89.883  1.3996 398.784  12.417  388.892  17.261  409.394  17.877  88.753  1.9704 91.062  1.9889 -2.309143      2.799668  
1 1 1 3   13  8  o 84.437  1.4100 351.930  11.751  330.408  16.208  375.782  17.063  81.806  2.0073 87.243  1.9815 -5.436882      2.820558  
1 1 1 3   13  9  o 292.500 3.6152 4228.13  104.373 4072.30  154.063 4360.32  141.898 286.812 5.4421 296.877 4.8425 -10.06476      7.284647  
1 1 1 3   13  10 o 87.196  1.5085 375.328  12.983  355.659  18.033  396.493  18.706  84.869  2.1527 89.610  2.1149 -4.740456      3.017775  
1 1 1 3   13  11 o 153.128 2.0634 1157.84  31.187  1106.46  44.911  1205.69  43.340  149.644 3.0406 156.223 2.8107 -6.579391      4.140692  
1 1 1 3   13  12 o 152.453 2.0290 1147.73  30.532  1122.65  43.976  1171.07  42.423  150.727 2.9559 153.954 2.7918 -3.226547      4.065865  
1 1 1 3   13  13 o 261.405 3.5711 3379.65  92.139  3231.35  137.723 3499.80  123.969 255.234 5.4668 265.794 4.7253 -10.56044      7.225991  
1 1 1 3   13  14 o 235.158 10.672 2790.28  247.702 0.0000   0.0000  2790.28  247.702 ?       ?      235.158 10.672 0.000000       10.67176  
1 1 1 3   13  15 o 20.529  8.5301 5.2746   28.485  0.0000   0.0000  5.2746   28.485  ?       ?      20.529  8.5301 0.000000       8.530129  
1 1 1 3   13  16 o 27.325  1.0972 36.859   2.9591  34.338   4.1546  39.454   4.2156  26.320  1.6069 28.226  1.5188 -1.905378      2.211062  
1 1 1 3   13  17 o 127.509 1.9085 803.155  24.020  772.067  33.538  835.895  34.418  124.955 2.7193 130.021 2.6819 -5.066071      3.819271  
1 1 1 3   13  18 o 171.979 5.9102 1473.88  100.325 0.0000   0.0000  1473.88  100.325 ?       ?      171.979 5.9102 0.000000       5.910182  
1 1 1 3   13  19 o 198.884 2.6933 1956.30  52.870  1911.39  73.287  2005.03  76.347  196.384 3.7808 201.123 3.8459 -4.738480      5.393076  
1 1 1 3   13  20 o 34.284  3.0779 58.650   10.305  59.987   14.097  57.116   15.100  34.512  4.2268 33.585  4.6826 0.9269867      6.308115  
1 1 1 3   13  21 o ?       ?      -9.1416  0.4473  -12.1814 15.733  -9.1391  0.4475  12.207  5.6271 ?       ?      0.000000       5.627140  
1 1 1 3   13  22 o 18.502  7.7368 3.8463   23.644  3.8463   23.644  0.0000   0.0000  18.502  7.7368 ?       ?      0.000000       7.736762  
1 1 1 3   13  23 o 103.293 3.6676 530.506  37.393  644.727  95.388  509.767  40.647  111.657 8.7245 101.167 4.0705 10.48994       9.627362  
1 1 1 3   13  24 o 88.121  2.4528 384.901  21.334  417.222  27.054  331.751  34.693  91.649  2.9906 81.325  4.3376 10.32431       5.268662  
1 1 1 3   13  25 o 76.187  2.2093 287.695  16.614  287.898  23.596  287.496  23.396  76.046  3.1436 75.998  3.1189 0.4789734E-01  4.428349  
1 1 1 3   13  26 o 86.496  2.1983 370.984  18.768  390.010  26.411  351.574  26.675  88.500  3.0235 83.976  3.2183 4.523697       4.415741  
1 1 1 3   14  0  o 79.268  1.0914 310.166  8.5395  285.741  11.703  337.977  12.488  76.074  1.5586 82.736  1.5292 -6.662445      2.183532  
1 1 1 3   14  1  o 82.148  1.1676 333.116  9.4675  316.092  13.109  351.678  13.688  80.011  1.6599 84.395  1.6432 -4.384125      2.335677  
1 1 1 3   14  2  o 149.215 1.9116 1099.46  28.154  1114.42  39.853  1084.56  39.779  150.184 2.6885 148.156 2.7202 2.028015       3.824591  
1 1 1 3   14  3  o 196.964 2.7352 1916.68  53.176  1913.14  66.567  1922.93  88.397  196.721 3.4283 197.095 4.5439 -0.3748016     5.692106  
1 1 1 3   14  4  o 166.368 6.6795 1374.30  109.685 1375.62  155.115 1372.97  155.120 165.667 9.5261 165.503 9.5361 0.1631317      13.47903  
1 1 1 3   14  5  o 202.120 4.1673 2020.70  83.137  2080.82  91.949  1751.34  194.622 205.061 4.5429 186.729 10.603 18.33159       11.53549  
1 1 1 3   14  6  o 319.675 3.8080 5052.64  120.154 4971.52  169.914 5133.78  169.932 316.797 5.4339 321.944 5.3476 -5.147339      7.623964  
1 1 1 3   14  7  o 160.372 2.8728 1270.61  45.474  1504.44  151.121 1247.33  47.684  173.517 8.8531 158.886 3.0406 14.63148       9.360708  
1 1 1 3   14  8  o 267.390 3.5224 3534.23  92.966  3521.41  131.446 3547.06  131.501 266.688 4.9936 267.660 4.9775 -0.9723511     7.050629  
1 1 1 3   14  9  o 110.993 1.6322 608.204  17.882  607.460  25.242  608.953  25.336  110.905 2.3059 111.040 2.3117 -0.1359940     3.265104  
1 1 1 3   14  10 o 268.414 3.8980 3563.56  103.271 3536.27  146.162 3590.77  145.932 267.079 5.5445 269.140 5.4933 -2.061584      7.805027  
1 1 1 3   14  11 o 157.705 2.0634 1228.28  32.119  1185.93  45.269  1271.20  45.579  154.907 2.9607 160.385 2.8792 -5.478470      4.129829  
1 1 1 3   14  12 f 205.132 2.9266 2079.91  59.256  2052.68  73.833  2129.19  99.332  203.694 3.6723 207.267 4.8554 -3.572525      6.087754  
1 1 1 3   14  13 o 320.727 8.6881 5154.66  275.037 5181.82  389.049 5127.52  388.872 319.113 12.352 317.389 12.413 1.723907       17.51146  
1 1 1 3   14  14 o 32.575  7.0810 54.979   22.118  58.868   31.646  51.265   30.924  33.678  9.2408 31.637  9.2916 2.041822       13.10447  
1 1 1 3   14  15 o 79.840  1.5875 314.785  12.510  321.701  17.214  307.042  18.213  80.690  2.1614 78.822  2.3410 1.867905       3.186145  
1 1 1 3   14  16 o 135.360 1.9830 905.192  26.494  848.200  37.914  959.578  37.038  130.947 2.9334 139.305 2.6937 -8.357483      3.982560  
1 1 1 3   14  17 o 23.008  3.9808 26.988   8.7131  18.432   12.639  34.735   12.028  19.288  6.0006 26.029  4.8603 -6.741898      7.721972  
1 1 1 3   14  18 o 113.040 1.8906 631.300  21.095  592.239  30.395  667.601  29.301  109.416 2.8144 116.194 2.5548 -6.777321      3.801034  
1 1 1 3   14  19 o 148.139 3.2510 1086.69  47.536  1047.09  50.550  1389.27  139.741 145.373 3.5230 165.642 8.5765 -20.26900      9.271893  
1 1 1 3   14  20 o 4.2009  1.9327 -1.4276  1.8433  -8.2817  2.5695  5.8400   2.6458  3.3346  1.6808 10.653  2.5501 -7.318922      3.054197  
1 1 1 3   14  21 o 63.413  14.258 221.635  87.076  0.0000   0.0000  221.635  87.076  ?       ?      63.413  14.258 0.000000       14.25821  
1 1 1 3   14  22 o 162.670 14.541 1446.24  231.016 0.0000   0.0000  1446.24  231.016 ?       ?      162.670 14.541 0.000000       14.54132  
1 1 1 3   14  23 f 57.469  1.8652 163.343  10.580  163.605  22.781  163.271  11.946  57.147  4.0652 57.440  2.1071 -0.2920990     4.578856  
1 1 1 3   14  24 o 84.479  2.1943 353.553  18.297  355.923  26.155  351.282  25.605  84.595  3.1324 84.051  3.0863 0.5438232      4.397438  
1 1 1 3   14  25 o 107.999 2.1933 578.269  23.380  596.898  33.335  560.234  32.801  109.481 3.0849 106.050 3.1336 3.430817       4.397222  
1 1 1 3   14  26 o 26.771  5.2587 37.569   13.400  38.795   19.901  36.552   18.123  26.835  7.3137 26.096  6.9225 0.7393322      10.07030  
1 1 1 3   15  0  o 189.784 2.3638 1779.73  44.280  1718.09  62.575  1841.56  62.667  186.347 3.4021 192.942 3.2907 -6.595016      4.733139  
1 1 1 3   15  1  o 159.238 2.0391 1252.51  32.050  1216.20  45.268  1289.00  45.382  156.840 2.9242 161.473 2.8474 -4.633377      4.081493  
1 1 1 3   15  2  o 21.677  2.8732 23.634   5.9960  23.950   10.892  23.497   7.1823  21.543  5.1849 21.518  3.5021 0.2479935E-01  6.256788  
1 1 1 3   15  3  o 97.118  6.2057 470.779  59.176  472.214  83.673  469.343  83.703  96.705  8.8647 96.401  8.8973 0.3045502      12.55960  
1 1 1 3   15  4  f 70.426  1.2787 244.846  8.8886  252.369  13.002  238.247  12.179  71.488  1.8427 69.460  1.7763 2.027527       2.559497  
1 1 1 3   15  5  o 149.900 1.9475 1109.68  28.815  1076.45  40.720  1143.01  40.782  147.587 2.7953 152.087 2.7167 -4.499939      3.897947  
1 1 1 3   15  6  o 247.561 3.1597 3029.75  77.208  3005.98  114.259 3049.73  104.739 246.334 4.6993 248.201 4.2753 -1.866241      6.353090  
1 1 1 3   15  7  f 86.294  1.5139 367.652  12.894  361.412  18.576  373.456  17.913  85.540  2.2001 86.958  2.0871 -1.417198      3.032537  
1 1 1 3   15  8  o 306.089 4.7683 4641.90  144.059 4670.42  361.839 4636.52  157.042 303.844 12.065 305.798 5.2029 -1.954468      13.13917  
1 1 1 3   15  9  o 44.829  1.7626 99.235   7.7990  106.180  11.169  92.625   10.895  46.294  2.4530 43.221  2.5654 3.073380       3.549449  
1 1 1 3   15  10 o 45.372  1.1826 101.624  5.2962  104.941  7.4614  98.255   7.5189  46.101  1.6398 44.607  1.7077 1.493752       2.367496  
1 1 1 3   15  11 o 88.726  1.5721 388.708  13.768  397.460  19.621  380.218  19.324  89.697  2.2162 87.729  2.2316 1.967751       3.145085  
1 1 1 3   15  12 o 26.011  7.2303 34.768   19.233  33.224   28.012  36.145   26.454  26.599  8.9850 27.147  8.7117 -0.5478153     12.51497  
1 1 1 3   15  13 o 225.285 7.3631 2537.41  163.728 2595.94  231.815 2479.16  231.279 226.439 10.372 221.166 10.595 5.272766       14.82638  
1 1 1 3   15  14 o 72.203  1.5875 257.453  11.314  256.759  15.796  258.184  16.213  72.083  2.2201 72.281  2.2725 -0.1975327     3.176954  
1 1 1 3   15  15 o 65.551  1.3942 212.176  9.0207  207.056  12.895  217.085  12.624  64.736  2.0180 66.289  1.9294 -1.552414      2.791982  
1 1 1 3   15  16 o 63.203  1.7922 197.328  11.180  188.613  15.530  206.703  16.108  61.762  2.5476 64.657  2.5240 -2.895206      3.586157  
1 1 1 3   15  17 o 61.595  1.4107 187.352  8.5767  185.648  11.875  189.211  12.401  61.297  1.9627 61.879  2.0304 -0.5828438     2.823946  
1 1 1 3   15  18 o 74.387  1.8345 273.380  13.469  278.016  25.593  271.604  15.840  74.910  3.4613 74.129  2.1649 0.7814102      4.082578  
1 1 1 3   15  19 o 72.952  1.3188 262.806  9.4958  250.785  13.415  274.878  13.443  71.240  1.9078 74.588  1.8260 -3.347450      2.640840  
1 1 1 3   15  20 o 104.655 9.3999 562.881  96.064  524.574  135.238 601.895  136.481 98.506  14.329 106.224 13.309 -7.718025      19.55679  
1 1 1 3   15  21 o 99.056  6.4352 495.062  62.577  483.148  88.160  507.161  88.838  96.693  9.3542 99.166  9.1803 -2.473251      13.10640  
1 1 1 3   15  22 o 65.040  1.8353 209.146  11.782  219.378  14.773  191.265  19.529  66.581  2.2479 62.001  3.2022 4.580780       3.912405  
1 1 1 3   15  23 o 79.707  1.9354 314.349  15.227  308.209  19.689  323.488  24.020  78.853  2.5297 80.709  3.0151 -1.856628      3.935768  
1 1 1 3   15  24 o 67.305  1.7196 224.141  11.424  225.493  15.903  222.700  16.421  67.426  2.3895 66.994  2.4833 0.4321899      3.446219  
1 1 1 3   15  25 o 139.087 2.3641 960.231  32.455  988.162  46.976  934.723  44.891  140.672 3.3832 136.844 3.3236 3.828644       4.742628  
1 1 1 3   15  26 o 47.279  3.0454 111.931  14.136  118.223  21.729  107.314  18.614  48.152  4.6288 46.006  4.1436 2.145790       6.212467  
1 1 1 3   16  0  o 154.571 1.9507 1180.21  29.762  1183.08  42.004  1177.33  42.175  154.688 2.7511 154.309 2.7691 0.3784180      3.903351  
1 1 1 3   16  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   16  2  o 225.210 7.3864 2535.44  164.192 2518.17  232.251 2552.69  232.154 222.966 10.553 224.531 10.475 -1.565140      14.86954  
1 1 1 3   16  3  o 29.480  2.0079 43.130   5.8077  38.027   8.3230  47.972   8.1078  27.553  3.1151 31.037  2.6727 -3.484533      4.104532  
1 1 1 3   16  4  o 46.283  1.3648 105.762  6.2349  111.472  9.5977  101.592  8.2010  47.503  2.0470 45.354  1.8320 2.149719       2.747032  
1 1 1 3   16  5  o 73.267  1.3240 265.024  9.5747  257.118  13.175  273.872  13.938  72.152  1.8500 74.464  1.8964 -2.312263      2.649313  
1 1 1 3   16  6  o 61.182  1.3058 184.803  7.8853  163.832  11.211  205.334  11.093  57.592  1.9722 64.481  1.7429 -6.889427      2.631979  
1 1 1 3   16  7  o 117.630 1.8724 683.395  21.739  680.337  27.052  688.973  36.529  117.342 2.3356 118.028 3.1356 -0.6861420     3.909891  
1 1 1 3   16  8  o 83.427  1.4492 343.649  11.934  347.268  16.871  340.025  16.882  83.846  2.0386 82.966  2.0616 0.8798599      2.899300  
1 1 1 3   16  9  o 53.777  2.1391 142.871  11.354  160.820  48.855  141.846  11.674  55.866  9.1787 53.582  2.2073 2.283707       9.440415  
1 1 1 3   16  10 o 98.933  1.7479 483.390  17.069  476.977  24.127  489.815  24.150  98.238  2.4882 99.553  2.4577 -1.315018      3.497372  
1 1 1 3   16  11 o 73.795  6.2712 273.261  45.246  285.401  63.902  261.057  64.073  74.843  8.8196 71.406  9.3125 3.436615       12.82601  
1 1 1 3   16  12 o 28.144  1.2586 39.106   3.4962  40.949   3.8228  29.680   8.6457  28.798  1.3449 24.199  3.7403 4.599525       3.974761  
1 1 1 3   16  13 o 67.600  1.3019 225.633  8.6865  220.908  12.288  230.352  12.281  66.872  1.8617 68.288  1.8220 -1.415863      2.604926  
1 1 1 3   16  14 o 32.516  1.1245 52.200   3.6092  38.442   5.0927  66.083   5.1157  27.833  1.8645 36.582  1.4168 -8.749146      2.341752  
1 1 1 3   16  15 o 16.100  1.1121 12.858   1.7564  18.668   2.9734  9.7446   2.1767  19.378  1.5680 13.954  1.6100 5.424553       2.247341  
1 1 1 3   16  16 o 58.509  1.4671 169.062  8.4728  157.876  11.716  181.327  12.268  56.520  2.1001 60.574  2.0518 -4.054440      2.936087  
1 1 1 3   16  17 o 153.564 2.2030 1165.70  33.392  1103.02  46.881  1230.26  47.573  149.247 3.1825 157.640 3.0574 -8.393753      4.413151  
1 1 1 3   16  18 o 25.283  3.9235 32.458   9.4738  31.467   13.378  33.455   13.418  24.630  5.6262 25.419  5.5072 -0.7886238     7.872945  
1 1 1 3   16  19 o 74.138  6.3200 277.332  45.806  297.826  65.069  257.199  64.494  76.086  8.8285 70.400  9.5260 5.685364       12.98797  
1 1 1 3   16  20 o 88.927  3.6320 392.489  31.879  0.0000   0.0000  392.489  31.879  ?       ?      88.927  3.6320 0.000000       3.631966  
1 1 1 3   16  21 o 98.052  1.8112 475.264  17.529  482.587  23.415  465.926  26.439  98.743  2.4024 96.979  2.7621 1.764641       3.660699  
1 1 1 3   16  22 o 14.272  2.5821 10.403   3.5035  9.7791   3.6176  19.825   14.060  13.803  2.7518 19.945  6.3460 -6.141789      6.916935  
1 1 1 3   16  23 o 36.295  1.1516 65.080   4.1254  61.765   5.9620  68.126   5.7142  35.336  1.7094 37.119  1.5597 -1.782288      2.313991  
1 1 1 3   16  24 o 100.692 2.0257 502.385  20.133  486.651  26.587  523.536  30.825  98.943  2.7224 102.531 3.0459 -3.588028      4.085180  
1 1 1 3   16  25 o ?       ?      -12.9861 2.3865  -13.1262 2.4233  -8.4798  13.740  ?       ?      11.672  5.3354 0.000000       5.335373  
1 1 1 3   16  26 o 95.941  6.6598 481.369  62.675  449.860  87.209  515.029  90.137  89.652  10.027 96.434  9.5972 -6.782028      13.87969  
1 1 1 3   17  0  o 103.570 8.9395 544.528  90.490  486.815  127.382 603.322  128.570 96.041  13.837 107.774 12.307 -11.73273      18.51812  
1 1 1 3   17  1  o 261.089 7.8726 3419.68  202.880 3545.50  287.120 3294.23  286.711 263.798 11.027 253.978 11.437 9.820724       15.88715  
1 1 1 3   17  2  f 55.329  1.4308 151.163  7.8140  144.492  11.150  157.603  10.954  54.078  2.0888 56.482  1.9649 -2.403885      2.867761  
1 1 1 3   17  3  o 134.160 1.8830 889.099  24.935  858.581  35.294  919.512  35.232  131.771 2.7136 136.376 2.6174 -4.604721      3.770220  
1 1 1 3   17  4  o 119.045 1.7673 699.974  20.766  694.729  31.065  704.211  27.921  118.538 2.6551 119.366 2.3698 -0.8285599     3.558905  
1 1 1 3   17  5  o 52.114  1.4559 134.109  7.4891  132.084  10.839  135.958  10.360  51.703  2.1239 52.459  2.0008 -0.7562370     2.917841  
1 1 1 3   17  6  o 94.147  1.4708 437.687  13.667  423.484  19.302  451.969  19.355  92.579  2.1123 95.645  2.0502 -3.066208      2.943707  
1 1 1 3   17  7  o 123.495 1.7185 753.248  20.947  708.066  29.342  800.211  29.915  119.683 2.4838 127.241 2.3819 -7.557762      3.441345  
1 1 1 3   17  8  o 75.046  1.3949 278.089  10.332  281.731  14.494  274.326  14.733  75.517  1.9445 74.516  2.0032 1.001320       2.791709  
1 1 1 3   17  9  o 97.545  6.3462 476.660  60.769  487.870  85.888  465.423  85.993  97.975  8.9815 95.600  9.2279 2.374695       12.87714  
1 1 1 3   17  10 o 19.498  7.1099 15.533   17.774  19.203   25.683  12.160   24.623  22.580  8.4890 20.667  8.1647 1.913019       11.77821  
1 1 1 3   17  11 o 120.495 1.8009 717.207  21.418  754.813  29.602  675.890  31.028  123.566 2.4271 116.906 2.6890 6.660904       3.622357  
1 1 1 3   17  12 o 83.186  1.5228 341.747  12.503  329.830  17.002  355.780  18.450  81.697  2.1085 84.845  2.2031 -3.147781      3.049507  
1 1 1 3   17  13 o 77.427  1.6249 296.102  12.418  303.467  17.796  289.112  17.337  78.352  2.3011 76.476  2.2967 1.875404       3.251159  
1 1 1 3   17  14 o 111.589 1.8206 615.183  20.052  615.613  28.672  614.771  28.054  111.566 2.6037 111.494 2.5492 0.7132721E-01  3.643876  
1 1 1 3   17  15 o 115.150 1.8695 655.147  21.249  631.894  29.908  678.846  30.194  113.018 2.6811 117.149 2.6112 -4.130867      3.742555  
1 1 1 3   17  16 o 148.805 2.1632 1094.59  31.773  1088.03  44.723  1101.27  45.147  148.238 3.0566 149.136 3.0670 -0.8971558     4.330053  
1 1 1 3   17  17 f 45.785  1.4065 103.531  6.3564  98.186   9.0624  108.707  8.9179  44.569  2.0600 46.901  1.9264 -2.331902      2.820429  
1 1 1 3   17  18 f 77.926  6.5167 306.741  49.664  311.131  69.631  302.194  70.857  77.595  9.2753 76.332  9.6181 1.263336       13.36187  
1 1 1 3   17  19 o 205.234 4.1009 2093.91  83.073  2132.56  117.295 2055.00  117.672 206.396 5.7576 202.543 5.8860 3.852875       8.233825  
1 1 1 3   17  20 o 56.656  2.5625 158.926  14.330  169.881  21.430  150.065  19.273  58.353  3.7403 54.856  3.5791 3.497288       5.176883  
1 1 1 3   17  21 o 50.195  1.5461 124.519  7.6602  206.959  50.376  122.567  7.7503  63.030  8.2991 49.799  1.5768 13.23092       8.447594  
1 1 1 3   17  22 o 44.712  1.2529 98.773   5.5294  101.587  7.9619  96.152   7.6850  45.318  1.7800 44.090  1.7659 1.228222       2.507345  
1 1 1 3   17  23 o 54.974  1.1374 149.325  6.1718  161.371  8.7527  137.414  8.7039  57.120  1.5525 52.700  1.6733 4.419590       2.282555  
1 1 1 3   17  24 o 57.735  1.3118 164.821  7.4758  144.067  10.665  184.868  10.482  53.910  2.0043 61.102  1.7380 -7.192039      2.652894  
1 1 1 3   17  25 o 41.003  7.5718 91.051   29.515  98.826   41.538  83.122   41.947  41.430  10.221 37.784  10.740 3.645439       14.82635  
1 1 1 3   17  26 o 19.893  1.7227 19.755   3.3490  42.511   22.511  19.240   3.3867  27.748  7.8611 19.624  1.7675 8.124504       8.057356  
1 1 1 3   18  0  o 89.762  6.3032 404.454  55.492  412.389  78.805  396.649  78.154  89.870  9.0050 88.084  9.1214 1.786774       12.81759  
1 1 1 3   18  1  o 41.609  1.5698 85.508   6.4471  92.973   9.6898  79.579   8.6360  43.311  2.2746 40.067  2.1920 3.243320       3.158913  
1 1 1 3   18  2  o 130.558 1.7772 842.005  22.902  843.020  32.675  841.025  32.108  130.574 2.5353 130.423 2.4941 0.1506348      3.556471  
1 1 1 3   18  3  o 93.143  1.4491 428.419  13.322  415.248  18.888  441.458  18.794  91.670  2.0875 94.523  2.0144 -2.852913      2.900932  
1 1 1 3   18  4  o 68.805  1.4354 233.777  9.7484  228.706  14.010  238.538  13.573  68.032  2.0863 69.483  1.9791 -1.451408      2.875716  
1 1 1 3   18  5  o 40.852  1.7685 82.439   7.1310  66.924   10.327  96.580   9.8591  36.668  2.8763 44.146  2.2703 -7.478020      3.664331  
1 1 1 3   18  6  o 202.739 2.8566 2033.38  57.164  2048.34  76.929  2014.94  85.421  203.288 3.8339 201.513 4.2947 1.775101       5.757019  
1 1 1 3   18  7  o 44.072  1.8883 95.961   8.2144  88.139   11.774  103.379  11.466  42.114  2.8493 45.653  2.5548 -3.539173      3.826938  
1 1 1 3   18  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   18  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   18  10 f 104.469 1.9294 539.243  19.895  496.391  34.702  560.225  24.283  100.097 3.5124 106.455 2.3110 -6.357956      4.204434  
1 1 1 3   18  11 o 77.960  9.1341 311.818  68.954  306.666  97.283  317.019  97.751  75.679  13.520 77.051  13.336 -1.371452      18.99022  
1 1 1 3   18  12 o 174.145 2.3747 1499.46  40.817  1447.97  55.613  1559.60  60.097  170.981 3.2953 177.422 3.4317 -6.441666      4.757685  
1 1 1 3   18  13 f 127.729 1.9019 806.161  23.977  781.643  33.744  831.166  34.077  125.690 2.7199 129.617 2.6636 -3.927315      3.806915  
1 1 1 3   18  14 o 118.293 1.9412 691.516  22.665  676.391  31.850  707.032  32.260  116.912 2.7601 119.534 2.7343 -2.621719      3.885150  
1 1 1 3   18  15 o 61.403  1.3986 186.210  8.4766  180.844  11.831  191.871  12.151  60.490  1.9816 62.307  1.9757 -1.817238      2.798253  
1 1 1 3   18  16 o 59.836  1.6423 176.882  9.6995  186.113  15.852  171.358  12.263  61.328  2.6188 58.874  2.1103 2.453724       3.363215  
1 1 1 3   18  17 o 26.376  7.8226 35.759   21.828  36.373   32.175  35.236   29.711  27.805  9.6233 27.162  9.2532 0.6425056      13.35030  
1 1 1 3   18  18 o 225.320 3.7732 2521.57  83.915  2488.86  106.288 2575.70  136.727 223.405 4.8201 226.558 6.1142 -3.152573      7.785718  
1 1 1 3   18  19 o 53.836  2.6720 143.545  14.198  147.022  20.859  140.543  19.382  54.235  3.9230 53.054  3.7248 1.181038       5.409620  
1 1 1 3   18  20 o 53.108  2.5286 139.710  13.255  148.555  19.547  132.181  18.034  54.536  3.6525 51.442  3.5739 3.093521       5.110097  
1 1 1 3   18  21 o 18.676  1.2745 17.313   2.3354  20.078   3.3757  14.775   3.2342  20.076  1.7202 17.171  1.9424 2.904749       2.594579  
1 1 1 3   18  22 o 46.357  7.2984 113.168  32.291  104.427  46.578  121.257  44.806  43.054  10.939 46.864  9.9916 -3.810226      14.81509  
1 1 1 3   18  23 o 41.661  1.6925 85.918   6.9597  87.376   7.6823  79.241   16.437  42.001  1.8531 39.469  4.2884 2.531952       4.671632  
1 1 1 3   18  24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   18  25 o 28.177  1.2961 39.273   3.6046  29.292   5.1790  48.652   5.0202  24.186  2.1933 31.299  1.6306 -7.112755      2.733016  
1 1 1 3   18  26 o 6.5714  2.9262 -1.4444  3.8304  9.4900   16.230  -2.0894  3.9418  16.767  6.6273 6.4390  2.9093 10.32829       7.237715  
1 1 1 3   19  0  o 66.416  1.4974 217.883  9.8163  218.184  13.668  217.561  14.107  66.436  2.0844 66.337  2.1544 0.9870911E-01  2.997721  
1 1 1 3   19  1  o 35.023  7.2134 63.825   24.106  67.638   34.535  60.203   33.662  35.816  9.5817 33.910  9.6151 1.905609       13.57420  
1 1 1 3   19  2  o 162.946 2.1466 1312.43  34.524  1286.71  48.608  1338.60  49.043  161.212 3.0548 164.436 3.0217 -3.224304      4.296761  
1 1 1 3   19  3  o 93.696  1.6162 433.633  14.946  422.044  20.931  445.692  21.350  92.394  2.2951 94.949  2.2781 -2.554474      3.233808  
1 1 1 3   19  4  o 87.731  1.5559 380.154  13.473  360.835  19.136  399.147  18.974  85.435  2.2693 89.864  2.1391 -4.429596      3.118538  
1 1 1 3   19  5  o 90.937  1.7480 408.529  15.690  391.932  19.931  435.572  25.443  89.040  2.2678 93.830  2.7472 -4.789337      3.562319  
1 1 1 3   19  6  o 57.662  1.3170 164.184  7.4958  163.296  13.182  164.609  9.1122  57.471  2.3239 57.729  1.5992 -0.2574844     2.820961  
1 1 1 3   19  7  o 156.976 6.6699 1234.14  103.344 1229.53  145.273 1238.86  147.043 155.244 9.5267 155.789 9.6094 -0.5457153     13.53143  
1 1 1 3   19  8  o 161.564 2.9241 1291.96  46.630  1306.73  66.287  1277.49  65.608  162.251 4.1391 160.424 4.1434 1.826355       5.856601  
1 1 1 3   19  9  o 73.260  1.5316 265.090  11.075  266.466  15.651  263.710  15.674  73.421  2.1596 73.040  2.1741 0.3813858      3.064442  
1 1 1 3   19  10 o 168.948 2.2795 1411.24  38.013  1385.52  54.422  1435.74  53.119  167.235 3.2970 170.265 3.1607 -3.029800      4.567306  
1 1 1 3   19  11 o 164.052 2.2588 1330.65  36.576  1283.22  52.327  1375.96  51.146  160.936 3.2942 166.686 3.1087 -5.749817      4.529431  
1 1 1 3   19  12 o 135.891 2.6679 913.746  35.784  900.872  37.322  1060.45  125.986 134.912 2.8027 144.242 8.8924 -9.330292      9.323616  
1 1 1 3   19  13 o 57.817  1.2974 165.080  7.4041  155.693  10.855  173.249  10.125  56.126  1.9594 59.215  1.7324 -3.089493      2.615390  
1 1 1 3   19  14 o 57.485  1.8116 163.296  10.279  156.387  14.241  170.811  14.851  56.219  2.5665 58.754  2.5609 -2.535690      3.625603  
1 1 1 3   19  15 o 75.735  1.7525 283.435  13.100  277.561  18.215  289.730  18.854  74.899  2.4639 76.521  2.4963 -1.621750      3.507491  
1 1 1 3   19  16 o 99.284  6.3848 497.180  62.237  525.161  89.061  470.475  87.008  100.991 9.0298 95.401  9.3607 5.589897       13.00610  
1 1 1 3   19  17 o 169.326 2.7132 1419.94  45.346  1444.75  64.241  1395.30  64.018  170.508 3.8171 167.548 3.8711 2.959961       5.436506  
1 1 1 3   19  18 o 88.790  2.0984 389.968  18.391  384.006  26.816  395.262  25.269  87.991  3.0876 89.302  2.8668 -1.310738      4.213287  
1 1 1 3   19  19 o 80.254  2.0684 318.668  16.385  326.739  23.901  311.512  22.505  81.154  2.9839 79.255  2.8768 1.898827       4.144810  
1 1 1 3   19  20 o 70.512  1.6472 245.842  11.465  259.110  16.636  233.842  15.821  72.322  2.3305 68.705  2.3330 3.616959       3.297609  
1 1 1 3   19  21 o 64.189  1.6751 203.821  10.613  208.420  14.931  199.125  15.088  64.837  2.3331 63.365  2.4125 1.472275       3.356089  
1 1 1 3   19  22 o 89.673  2.1292 398.710  18.846  396.659  27.554  400.512  25.833  89.202  3.1295 89.693  2.9180 -0.4906845     4.278850  
1 1 1 3   19  23 o 43.941  7.5250 104.181  31.463  103.331  45.203  104.980  43.820  42.045  10.827 42.561  10.497 -0.5165215     15.07997  
1 1 1 3   19  24 o 89.247  2.6257 396.841  23.129  411.768  36.713  387.016  29.783  90.288  4.1196 87.840  3.4352 2.447884       5.363876  
1 1 1 3   19  25 o 32.017  3.8942 52.462   12.053  47.964   18.276  55.925   16.035  29.754  6.4120 32.663  5.1437 -2.909678      8.220189  
1 1 1 3   20  0  o 35.515  2.1102 62.608   7.3641  65.382   11.800  60.839   9.4247  36.143  3.3456 34.936  2.7555 1.207401       4.334275  
1 1 1 3   20  1  o 65.645  1.5170 212.891  9.8290  216.926  13.759  208.685  14.046  66.232  2.1046 64.956  2.1908 1.275620       3.037981  
1 1 1 3   20  2  o 59.773  6.4798 181.419  37.617  180.633  53.322  182.198  53.076  58.722  9.5260 59.015  9.4292 -0.2924309     13.40357  
1 1 1 3   20  3  o 41.631  1.8814 85.656   7.7311  78.351   11.445  91.787   10.485  39.668  2.9440 43.002  2.4809 -3.334202      3.849911  
1 1 1 3   20  4  o 92.688  1.5921 424.398  14.566  423.893  20.695  424.893  20.504  92.586  2.2646 92.697  2.2410 -0.1110535     3.185979  
1 1 1 3   20  5  o 95.064  6.3748 454.847  59.470  440.022  84.116  469.663  84.090  92.473  9.3439 95.699  9.0083 -3.225510      12.97916  
1 1 1 3   20  6  f 219.844 7.3697 2434.38  159.917 2443.46  225.010 2425.11  227.323 218.037 10.455 217.089 10.609 0.9479675      14.89506  
1 1 1 3   20  7  o 59.607  1.7435 175.547  10.257  185.319  14.926  166.803  14.120  61.208  2.4707 58.070  2.4634 3.137764       3.488945  
1 1 1 3   20  8  o 63.644  1.7227 200.133  10.822  207.308  15.709  193.650  14.931  64.737  2.4584 62.571  2.4175 2.166538       3.447916  
1 1 1 3   20  9  o 145.488 2.1259 1046.46  30.528  1056.53  45.051  1037.91  41.513  146.038 3.1254 144.783 2.9049 1.255081       4.266914  
1 1 1 3   20  10 o 68.710  1.6392 233.245  11.117  257.776  16.695  213.703  14.901  72.193  2.3429 65.735  2.2965 6.457764       3.280732  
1 1 1 3   20  11 o 109.840 1.7852 596.197  19.355  600.799  27.474  591.663  27.270  110.192 2.5260 109.351 2.5266 0.8411179      3.572734  
1 1 1 3   20  12 o 42.579  1.5619 89.567   6.5643  87.379   12.608  90.381   7.6886  41.884  3.0711 42.765  1.8215 -0.8808136     3.570647  
1 1 1 3   20  13 o 79.755  2.3363 314.670  18.392  305.247  18.940  470.194  76.948  78.543  2.4431 95.888  8.2094 -17.34496      8.565184  
1 1 1 3   20  14 o 98.283  6.4414 487.699  62.141  506.256  88.356  469.536  87.414  99.036  9.1419 95.219  9.4247 3.817490       13.13008  
1 1 1 3   20  15 o 34.679  7.6501 63.285   25.483  71.189   36.242  55.555   35.839  36.505  9.8364 32.669  10.094 3.835873       14.09449  
1 1 1 3   20  16 o 109.319 1.9092 590.898  20.601  607.515  29.637  575.363  28.655  110.740 2.7114 107.772 2.6938 2.967560       3.822083  
1 1 1 3   20  17 o 23.205  5.5139 28.092   12.443  28.477   18.446  27.770   16.854  23.615  7.2330 23.220  6.8709 0.3950424      9.976213  
1 1 1 3   20  18 o 45.939  2.8751 105.097  12.971  95.256   19.107  113.509  17.665  43.428  4.5239 47.596  3.7917 -4.167843      5.902754  
1 1 1 3   20  19 o 86.180  1.7111 367.316  14.555  364.901  20.958  369.566  20.230  85.796  2.4748 86.358  2.3734 -0.5621262     3.428911  
1 1 1 3   20  20 o 70.121  2.2082 243.686  15.283  258.173  22.391  231.050  20.912  72.019  3.1499 68.139  3.1094 3.880577       4.426059  
1 1 1 3   20  21 o 37.725  1.5057 70.400   5.6065  84.452   7.9660  56.607   7.8921  41.285  1.9548 33.685  2.3892 7.600697       3.087028  
1 1 1 3   20  22 o 75.765  6.7995 301.531  50.307  288.897  71.514  313.908  70.781  71.359  10.464 75.000  9.7955 -3.641281      14.33360  
1 1 1 3   20  23 o 8.4512  2.4875 3.6126   2.2142  -3.3128  3.0353  11.490   3.2371  5.0340  2.3700 15.042  2.2494 -10.00795      3.267510  
1 1 1 3   20  24 o 59.807  1.6899 177.308  9.9756  176.596  14.136  178.014  14.079  59.553  2.4049 59.796  2.3855 -0.2429085     3.387324  
1 1 1 3   20  25 f 23.627  5.3628 29.975   12.220  36.726   18.861  25.090   16.043  25.723  7.1636 21.627  6.7657 4.096251       9.853498  
1 1 1 3   21  0  o 72.444  1.5392 259.441  11.006  253.239  15.159  266.355  16.005  71.515  2.1475 73.337  2.2110 -1.821457      3.082284  
1 1 1 3   21  1  o 68.729  1.5174 233.462  10.294  250.470  15.207  219.077  13.985  71.135  2.1658 66.531  2.1296 4.603844       3.037400  
1 1 1 3   21  2  o 75.159  1.8255 279.311  13.543  283.381  16.223  269.955  24.597  75.675  2.1719 73.720  3.3803 1.954903       4.017938  
1 1 1 3   21  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 3   21  4  o 124.058 6.5292 777.352  79.669  817.297  112.978 737.843  112.361 125.845 9.1583 119.270 9.6265 6.575371       13.28696  
1 1 1 3   21  5  o 25.311  7.6888 32.749   20.902  39.769   30.271  26.351   28.898  28.310  9.3357 24.825  9.0637 3.484926       13.01177  
1 1 1 3   21  6  o 52.733  1.6133 137.400  8.3970  128.812  15.197  141.175  10.075  50.892  3.0392 53.440  1.9100 -2.547935      3.589514  
1 1 1 3   21  7  o 132.588 1.9686 869.106  25.763  882.447  35.969  855.052  36.918  133.494 2.7298 131.386 2.8468 2.107742       3.944160  
1 1 1 3   21  8  o 135.998 2.0527 914.532  27.555  899.951  40.361  927.260  37.710  134.757 3.0345 136.830 2.7922 -2.073013      4.123623  
1 1 1 3   21  9  o 38.360  1.5423 72.701   5.8397  66.632   13.566  74.082   6.4698  36.425  3.8306 38.719  1.6929 -2.293320      4.188037  
1 1 1 3   21  10 o 72.754  1.6112 261.539  11.570  279.881  16.312  242.971  16.413  75.222  2.1970 70.074  2.3730 5.148491       3.233906  
1 1 1 3   21  11 o 154.008 2.2720 1173.44  34.537  1222.01  51.039  1132.41  46.907  156.950 3.2947 151.121 3.1447 5.828857       4.554546  
1 1 1 3   21  12 o 34.152  2.6250 58.095   8.7808  42.817   13.459  69.416   11.586  28.899  4.8930 37.278  3.1793 -8.378132      5.835183  
1 1 1 3   21  13 o 88.795  6.4245 399.319  55.927  378.436  78.726  420.595  79.465  85.145  9.5311 90.035  9.0652 -4.890259      13.15369  
1 1 1 3   21  14 o 23.909  8.0049 27.769   22.232  35.870   33.050  21.073   30.046  27.660  9.7424 23.821  9.1286 3.838518       13.35084  
1 1 1 3   21  15 o 93.233  1.8263 429.817  16.806  452.319  23.531  406.385  24.012  95.563  2.4946 90.555  2.6865 5.008186       3.666107  
1 1 1 3   21  16 o 50.949  1.0615 128.197  5.3383  131.148  7.5529  125.252  7.5461  51.514  1.4854 50.341  1.5187 1.172863       2.124364  
1 1 1 3   21  17 o 30.325  3.8470 46.563   11.256  44.965   16.484  47.959   15.407  29.336  5.8974 30.456  5.3189 -1.120283      7.941660  
1 1 1 3   21  18 o 52.283  1.4965 135.143  7.7228  132.007  11.096  138.091  10.756  51.621  2.1776 52.807  2.0635 -1.186401      3.000061  
1 1 1 3   21  19 o 85.954  2.1278 366.141  18.052  364.427  26.096  367.714  24.999  85.555  3.0903 85.974  2.9459 -0.4194107     4.269476  
1 1 1 3   21  20 o 170.519 2.5247 1444.93  42.493  1432.67  59.778  1457.46  60.415  169.207 3.5792 170.660 3.5866 -1.452591      5.066969  
1 1 1 3   21  21 o 87.373  6.6824 400.294  57.192  394.727  81.212  405.773  80.556  83.823  10.014 85.262  9.7474 -1.438202      13.97459  
1 1 1 3   21  22 o 63.107  2.5081 198.365  15.623  219.068  23.265  181.363  21.084  65.909  3.5897 59.956  3.5790 5.952961       5.069064  
1 1 1 3   21  23 o 90.589  2.3757 408.676  21.242  419.886  31.454  399.277  28.802  91.348  3.4885 89.182  3.2720 2.166916       4.782864  
1 1 1 3   21  24 o 90.258  2.8831 407.956  25.685  662.396  88.085  384.312  26.852  109.296 8.2255 87.500  3.1091 21.79540       8.793439  
1 1 1 3   22  0  o 50.652  1.6945 126.968  8.4718  119.375  12.300  133.821  11.685  48.963  2.5540 51.944  2.2791 -2.980186      3.423074  
1 1 1 3   22  1  o 45.000  1.8498 100.243  8.2163  108.871  11.535  91.356   11.706  46.772  2.5077 42.788  2.7870 3.983505       3.749126  
1 1 1 3   22  2  o 32.378  2.4036 52.260   7.6268  51.553   11.444  52.825   10.230  31.939  3.6985 32.423  3.2400 -0.4837570     4.916967  
1 1 1 3   22  3  o 134.113 6.6312 916.136  87.780  915.217  124.228 917.053  124.051 131.514 9.6372 131.670 9.6115 -0.1554260     13.61087  
1 1 1 3   22  4  o 82.449  6.6285 347.407  53.487  355.381  75.144  339.218  76.150  81.985  9.4595 79.848  9.8724 2.136688       13.67287  
1 1 1 3   22  5  f 113.122 1.8099 632.832  20.208  621.498  28.306  644.614  28.859  111.989 2.5608 114.052 2.5636 -2.063126      3.623456  
1 1 1 3   22  6  o 164.099 2.4901 1333.89  40.333  1397.32  54.971  1259.92  59.359  167.714 3.3207 159.102 3.7799 8.612900       5.031380  
1 1 1 3   22  7  o 158.235 2.3417 1239.62  36.573  1265.27  51.843  1214.20  51.603  159.618 3.2906 156.348 3.3438 3.269867       4.691397  
1 1 1 3   22  8  o 59.762  1.4946 176.485  8.8160  172.003  17.469  178.016  10.212  58.807  3.0198 60.008  1.7241 -1.201401      3.477307  
1 1 1 3   22  9  o 110.729 1.8527 606.283  20.249  594.018  28.771  618.321  28.504  109.489 2.6623 111.719 2.5849 -2.230171      3.710714  
1 1 1 3   22  10 o 38.556  2.5771 73.971   9.7508  67.705   14.168  79.610   13.440  36.662  3.9791 39.881  3.4483 -3.218784      5.265342  
1 1 1 3   22  11 o 39.320  1.6042 76.418   6.2261  60.245   20.625  78.040   6.5308  34.015  6.3775 39.733  1.6653 -5.718399      6.591325  
1 1 1 3   22  12 o 125.171 6.5942 795.803  81.183  781.894  114.921 809.659  114.700 122.155 9.6090 124.465 9.4059 -2.310730      13.44630  
1 1 1 3   22  13 o 137.864 2.2455 941.032  30.556  999.214  43.731  885.532  42.712  141.848 3.1235 133.504 3.2413 8.344589       4.501364  
1 1 1 3   22  14 o 89.249  1.6663 393.849  14.678  418.132  19.939  365.119  21.688  91.895  2.1983 85.822  2.5603 6.073059       3.374508  
1 1 1 3   22  15 o 133.512 2.6377 884.224  34.760  889.810  41.593  871.288  63.299  133.788 3.1497 131.727 4.8684 2.061081       5.798468  
1 1 1 3   22  16 o 29.639  1.6301 43.579   4.7504  43.950   4.9857  39.925   15.650  29.758  1.7045 27.553  5.9301 2.205215       6.170231  
1 1 1 3   22  17 o 34.575  1.2548 59.080   4.2823  59.432   6.1126  58.741   6.0012  34.605  1.7957 34.405  1.7732 0.1999931      2.523657  
1 1 1 3   22  18 o 45.009  1.3904 100.176  6.1771  107.087  8.7496  93.308   8.7218  46.495  1.9066 43.389  2.0365 3.105652       2.789710  
1 1 1 3   22  19 o 22.270  1.4459 24.640   3.1610  8.2036   4.5654  39.776   4.3811  12.620  3.5279 28.304  1.5744 -15.68450      3.863303  
1 1 1 3   22  20 o 46.865  7.6952 119.486  34.360  123.113  47.305  115.435  49.991  45.755  10.671 43.764  11.443 1.990253       15.64650  
1 1 1 3   22  21 o 50.920  1.6703 128.517  8.3951  138.909  11.853  118.055  11.892  52.841  2.2725 48.614  2.4867 4.227604       3.368707  
1 1 1 3   22  22 o 51.214  1.9252 130.258  9.7316  135.012  24.524  129.369  10.602  51.053  4.9280 51.007  2.1058 0.4544830E-01  5.359072  
1 1 1 3   22  23 o 67.470  1.7257 225.890  11.492  243.369  16.745  210.327  15.800  69.845  2.4289 64.920  2.4658 4.924828       3.461198  
1 1 1 3   22  24 o 12.525  5.4548 -0.8730  12.638  -9.4360  16.594  10.955   19.503  12.698  5.8260 17.904  7.2018 -5.206093      9.263244  
1 1 1 3   23  0  o 47.278  1.9066 110.769  8.8974  109.587  12.656  111.924  12.511  46.843  2.7493 47.353  2.6879 -0.5107880     3.844872  
1 1 1 3   23  1  o 34.030  2.4472 57.823   8.1650  52.942   11.791  62.321   11.318  32.289  3.7706 35.174  3.2985 -2.884872      5.009760  
1 1 1 3   23  2  o 49.044  6.9385 126.905  32.651  116.719  45.957  137.286  46.396  45.257  10.492 49.559  9.8318 -4.302753      14.37902  
1 1 1 3   23  3  o 29.614  2.6770 43.945   7.7401  43.555   11.416  44.277   10.530  29.195  4.0727 29.528  3.6937 -0.3330784     5.498205  
1 1 1 3   23  4  o 116.933 1.8356 676.965  21.186  689.343  30.099  664.812  29.825  117.811 2.5884 115.689 2.6119 2.121910       3.677220  
1 1 1 3   23  5  o 102.761 6.6500 543.543  67.089  592.569  96.902  498.410  92.975  105.182 9.4341 95.984  9.9588 9.197983       13.71785  
1 1 1 3   23  6  o 107.660 1.8220 573.620  19.362  567.859  27.451  579.322  27.312  106.965 2.6001 108.048 2.5610 -1.083221      3.649521  
1 1 1 3   23  7  o 129.234 2.0969 827.157  26.747  836.704  38.964  818.650  36.783  129.725 3.0430 128.360 2.9033 1.364609       4.205806  
1 1 1 3   23  8  o 48.752  2.3173 117.791  11.151  121.882  16.018  113.944  15.533  49.377  3.3057 47.733  3.3175 1.644382       4.683317  
1 1 1 3   23  9  o 28.627  1.3265 40.499   3.7481  39.704   5.2979  41.296   5.3034  28.260  1.9105 28.827  1.8741 -0.5672302     2.676238  
1 1 1 3   23  10 o 118.334 6.6462 716.740  77.313  714.600  109.629 718.858  109.048 115.885 9.6728 116.307 9.5843 -0.4221191     13.61701  
1 1 1 3   23  11 o 114.704 6.6191 673.755  74.621  677.368  105.595 670.151  105.466 112.828 9.5721 112.184 9.6176 0.6444855      13.56926  
1 1 1 3   23  12 o 92.779  1.8608 426.022  17.041  409.312  25.703  439.127  22.763  90.766  2.8689 94.098  2.4508 -3.332550      3.773231  
1 1 1 3   23  13 o 48.032  1.1027 113.975  5.2280  113.183  7.3957  114.766  7.3912  47.839  1.5662 48.173  1.5545 -0.3341904     2.206681  
1 1 1 3   23  14 o 72.864  1.9689 262.940  14.160  268.349  19.881  257.372  20.174  73.488  2.7409 71.951  2.8407 1.536819       3.947379  
1 1 1 3   23  15 o 25.798  1.2163 32.893   3.0971  34.229   4.4935  31.684   4.2747  26.239  1.7450 25.242  1.7261 0.9969654      2.454437  
1 1 1 3   23  16 o 64.556  2.3354 206.880  14.881  202.010  21.921  211.043  20.265  63.464  3.5131 65.045  3.1565 -1.580563      4.722834  
1 1 1 3   23  17 o 70.587  2.2601 247.407  15.747  265.617  23.205  231.865  21.438  72.909  3.2246 68.129  3.1880 4.780090       4.534416  
1 1 1 3   23  18 o 85.603  8.1476 396.683  68.011  392.504  83.304  405.037  117.777 82.942  10.405 77.815  15.872 5.127090       18.97832  
1 1 1 3   23  19 o 81.702  6.9483 355.572  55.502  370.080  79.500  341.778  77.520  80.033  10.303 76.656  10.523 3.376450       14.72719  
1 1 1 3   23  20 f 14.379  1.6264 10.378   2.2676  16.795   3.3846  5.1521   3.0545  18.295  1.9022 10.042  2.9119 8.252895       3.478147  
1 1 1 3   23  21 o 25.313  2.0540 32.068   5.0876  31.601   5.1341  57.489   37.894  25.121  2.0896 31.051  10.451 -5.930748      10.65740  
1 1 1 3   23  22 o 66.289  1.5191 217.842  9.9395  231.301  15.480  208.400  12.965  68.108  2.3027 64.723  2.0295 3.385399       3.069411  
1 1 1 3   23  23 f 17.245  5.9546 14.871   12.315  15.754   18.568  14.177   16.456  18.856  7.1879 17.924  6.7825 0.9312572      9.882754  
1 1 1 3   24  1  o 87.232  14.937 490.480  123.982 490.480  123.982 0.0000   0.0000  87.232  14.937 ?       ?      0.000000       14.93687  
1 1 1 3   24  2  f 42.486  2.2482 89.906   9.3942  79.056   12.958  101.927  13.639  39.604  3.3461 45.069  3.0845 -5.464657      4.550935  
1 1 1 3   24  3  o 61.929  1.7018 189.972  10.402  180.643  16.576  196.033  13.361  60.204  2.7894 62.840  2.1541 -2.636269      3.524357  
1 1 1 3   24  4  o 79.752  1.7887 315.151  14.080  314.402  20.529  315.815  19.348  79.476  2.6169 79.694  2.4597 -0.2178879     3.591421  
1 1 1 3   24  5  o 59.269  1.8405 174.081  10.767  188.290  15.611  161.186  14.871  61.521  2.5708 56.907  2.6475 4.613609       3.690266  
1 1 1 3   24  6  o 72.051  6.6063 271.225  46.459  302.950  69.060  244.998  62.792  73.950  9.6949 66.264  9.9045 7.686531       13.85971  
1 1 1 3   24  7  o 57.699  1.6729 164.823  9.5275  159.980  13.968  169.037  13.029  56.735  2.4943 58.355  2.2620 -1.620338      3.367226  
1 1 1 3   24  8  o 72.687  1.8652 261.745  13.382  261.599  19.175  261.882  18.684  72.519  2.6788 72.573  2.6083 -0.5400085E-01 3.738900  
1 1 1 3   24  9  o 31.563  8.5794 54.892   27.429  67.429   38.935  42.540   38.646  34.551  10.493 29.060  10.501 5.490597       14.84531  
1 1 1 3   24  10 o 14.857  1.4198 11.016   2.0566  5.2546   2.9300  16.611   2.8874  10.130  2.8243 18.249  1.6198 -8.119313      3.255852  
1 1 1 3   24  11 o 117.881 2.1122 689.139  24.575  685.293  34.005  693.345  35.557  117.285 2.9374 117.927 3.0548 -0.6420364     4.237918  
1 1 1 3   24  12 o 17.400  0.9578 15.003   1.6387  17.615   2.0369  10.211   2.7589  18.848  1.0997 14.211  2.0241 4.636741       2.303503  
1 1 1 3   24  13 o 65.315  2.1297 211.659  13.730  199.947  18.346  226.570  20.700  63.332  2.9348 67.374  3.1128 -4.042309      4.278137  
1 1 1 3   24  14 o 50.209  2.3298 125.252  11.546  129.441  18.764  122.700  14.647  50.631  3.7820 49.495  3.0125 1.136337       4.835150  
1 1 1 3   24  15 o 65.418  2.2476 212.628  14.513  206.360  21.417  217.950  19.734  64.085  3.3980 66.051  3.0270 -1.966476      4.550716  
1 1 1 3   24  16 o 43.632  1.3316 94.196   5.7348  87.012   8.2424  100.937  7.9841  41.869  1.9945 45.119  1.7928 -3.250854      2.681814  
1 1 1 3   24  17 o 21.020  8.0010 19.203   22.985  15.227   31.835  23.534   33.220  22.097  9.0840 23.900  9.4704 -1.803228      13.12284  
1 1 1 3   24  18 o 50.946  3.3937 131.167  16.968  157.722  26.970  113.770  21.829  55.159  5.0082 46.887  4.7839 8.272617       6.925866  
1 1 1 3   24  19 o 23.428  0.8736 27.127   2.0202  28.610   2.8906  25.710   2.8244  24.013  1.2236 22.756  1.2624 1.257029       1.758113  
1 1 1 3   24  20 o 32.152  1.1772 51.158   3.7360  54.972   5.4018  47.661   5.1726  33.287  1.6441 30.943  1.7001 2.343901       2.365093  
1 1 1 3   24  21 o 27.522  1.1445 37.485   3.1090  45.827   4.5638  30.261   4.2468  30.360  1.5278 24.621  1.7591 5.739334       2.330001  
1 1 1 3   24  22 o 20.123  1.3656 20.163   2.6964  24.243   3.9953  16.751   3.6542  21.999  1.8574 18.219  2.0687 3.779701       2.780177  
1 1 1 3   25  3  o 11.407  4.7705 1.6177   8.9914  -5.8548  11.762  12.123   13.947  11.052  5.0065 16.861  6.2719 -5.808842      8.025099  
1 1 1 3   25  4  f 28.730  3.6632 42.177   10.151  37.977   14.262  46.490   14.452  26.672  5.5961 29.746  5.1063 -3.074127      7.575647  
1 1 1 3   25  5  o 55.062  2.0659 150.566  11.228  157.250  16.094  144.228  15.672  56.024  2.9206 53.633  2.9720 2.390537       4.166825  
1 1 1 3   25  6  o 11.286  4.6396 2.3689   8.3049  -0.8091  12.573  4.8286   11.061  12.626  5.4698 13.474  5.4223 -0.8475275     7.701937  
1 1 1 3   25  7  o 26.327  8.3915 37.938   24.577  28.774   34.347  47.552   35.182  25.212  9.7344 29.277  10.067 -4.065144      14.00372  
1 1 1 3   25  8  f 60.428  7.1268 195.692  41.690  188.984  58.385  202.669  59.550  56.618  10.842 58.846  10.644 -2.228027      15.19398  
1 1 1 3   25  9  o 55.197  2.3481 151.584  12.793  138.137  17.477  167.103  18.776  52.357  3.4003 57.633  3.3145 -5.276482      4.748507  
1 1 1 3   25  10 o 53.222  2.8545 141.872  14.941  146.627  24.455  139.040  18.872  53.462  4.6816 52.437  3.6694 1.024540       5.948246  
1 1 1 3   25  11 o 50.382  2.6039 126.877  12.905  126.943  17.790  126.803  18.747  50.103  3.6218 50.005  3.8273 0.9768295E-01  5.269281  
1 1 1 3   25  12 o 36.942  4.8398 70.816   17.223  76.723   22.671  62.754   26.485  37.882  6.2834 33.406  8.1131 4.476353       10.26173  
1 1 1 3   25  13 o 32.662  1.5161 52.842   4.8876  48.079   16.620  53.292   5.1137  29.968  5.8286 32.796  1.5797 -2.827623      6.038917  
1 1 1 3   25  14 o 30.497  2.0507 46.425   6.1370  43.835   6.5195  66.568   18.182  29.596  2.2486 35.556  5.3463 -5.960432      5.799957  
1 1 1 3   25  15 o 29.775  4.6640 46.363   13.257  38.661   22.075  50.709   16.580  26.279  7.8833 30.792  5.6640 -4.512665      9.707038  
1 1 1 3   25  16 o 30.728  9.0950 55.335   29.529  54.176   45.784  56.160   38.640  30.521  11.362 30.722  10.551 -0.2012253     15.50518  
1 1 1 3   25  17 o 39.809  6.4791 86.179   24.582  132.848  49.050  70.526   28.408  46.114  10.941 34.914  8.3549 11.19939       13.76641  
1 1 1 3   25  18 o 17.470  6.7400 12.416   16.456  9.4813   18.773  22.153   34.197  17.359  7.0364 23.329  9.4823 -5.970537      11.80778  
1 1 1 3   25  19 o 68.747  1.7502 234.783  11.876  210.699  18.219  252.576  15.660  64.775  2.8496 71.159  2.2296 -6.383507      3.618218  
1 1 1 3   25  20 o 21.887  5.8177 26.398   12.784  31.871   19.167  22.012   17.158  23.731  7.3903 20.403  7.0294 3.328302       10.19946  
1 1 1 3   25  21 o 45.911  1.4887 104.615  6.7463  103.588  9.8067  105.537  9.2952  45.537  2.1818 45.997  2.0474 -0.4595261     2.992001  
1 1 1 3   26  5  o 12.409  5.0636 3.5485   9.8005  7.1874   13.082  -1.1067  14.796  14.935  5.9350 13.515  5.8935 1.419873       8.364103  
1 1 1 3   26  6  o 29.175  11.782 42.465   52.426  42.465   52.426  0.0000   0.0000  29.175  11.782 ?       ?      0.000000       11.78223  
1 1 1 3   26  7  o 47.124  3.1439 111.979  14.539  118.277  19.013  103.109  22.563  48.110  4.0414 44.375  5.2533 3.734856       6.627992  
1 1 1 3   26  8  o 21.943  9.1299 14.263   32.693  29.475   45.064  -2.6401  47.503  26.479  10.838 22.761  10.207 3.717941       14.88768  
1 1 1 3   26  9  o 138.293 2.3335 952.989  31.853  930.813  44.507  976.273  45.607  136.012 3.3153 139.293 3.3172 -3.280243      4.689841  
1 1 1 3   26  10 o 8.5850  1.9202 3.8052   1.5863  4.1978   1.9855  3.1123   2.6378  9.0065  2.2422 8.1645  2.7572 0.8419590      3.553816  
1 1 1 3   26  11 o 22.556  1.7434 25.399   3.8514  24.901   3.9610  34.016   16.490  22.323  1.8134 24.826  6.6114 -2.502777      6.855569  
1 1 1 3   26  12 o 58.470  1.9891 169.984  11.480  153.611  13.482  213.156  21.892  55.474  2.4623 64.919  3.4286 -9.444942      4.221168  
1 1 1 3   26  13 o 69.453  2.3681 240.649  16.234  228.284  22.305  254.575  23.672  67.279  3.3589 71.040  3.3759 -3.760818      4.762258  
1 1 1 3   26  14 o 63.023  7.4645 219.854  45.532  213.492  64.466  226.188  64.317  57.864  11.690 60.105  11.255 -2.241642      16.22718  
1 1 1 3   26  15 o 39.281  9.9821 94.951   38.783  119.642  68.260  83.181   47.128  40.173  14.010 35.573  11.645 4.600109       18.21793  
1 1 1 3   26  16 o 42.602  1.8639 90.247   7.8378  87.319   8.4421  108.533  21.096  41.874  2.0426 45.576  4.7598 -3.702347      5.179524  
1 1 1 3   26  17 o 26.848  1.1762 35.687   3.1170  48.056   4.5189  24.460   4.3051  31.128  1.4708 22.074  1.9976 9.053698       2.480606  
1 1 1 3   26  18 o 55.512  3.6621 157.670  19.953  205.682  58.098  151.250  21.245  56.693  10.776 54.181  4.0009 2.512798       11.49503  
1 1 1 3   26  19 o 59.265  2.0883 175.335  12.216  169.391  14.453  190.201  22.857  58.100  2.5203 60.808  3.8277 -2.707752      4.582955  
1 1 1 3   27  9  o 78.956  3.0492 314.074  23.763  480.426  79.388  297.702  24.905  90.572  8.9994 76.743  3.2878 13.82886       9.581191  
1 1 1 3   27  10 f 12.474  5.2885 1.5784   11.293  -7.1863  15.105  12.688   17.006  12.368  5.6303 17.609  6.8354 -5.240960      8.855707  
1 1 1 3   27  11 o 56.713  2.5873 161.139  14.483  154.250  19.694  169.252  21.372  54.973  3.6504 57.524  3.7854 -2.550716      5.258735  
1 1 1 3   27  12 o 8.8464  2.6806 3.9536   2.5429  3.8149   2.5641  12.248   19.826  8.7278  2.7006 18.190  7.2807 -9.461756      7.765433  
1 1 1 3   27  13 o 60.667  9.0418 218.747  52.489  207.083  89.199  224.925  64.918  48.699  16.024 58.391  11.672 -9.692059      19.82436  
1 1 1 3   27  14 o 16.883  1.3340 14.216   2.2049  14.230   2.2110  11.603   29.790  16.891  1.3371 20.296  8.5963 -3.404438      8.699613  
1 1 1 3   27  15 o 24.290  5.7302 32.673   13.516  34.893   18.209  29.949   20.170  24.636  7.0997 22.987  7.6226 1.648762       10.41681  
1 1 1 3   27  16 o 40.657  1.8186 82.310   7.2981  81.178   20.333  82.477   7.8191  38.731  5.4711 40.672  1.9477 -1.940544      5.807492  
1 1 1 4   -23 0  o 30.268  8.2701 51.775   25.409  41.864   36.118  61.487   35.753  27.970  10.145 32.400  10.094 -4.430334      14.31126  
1 1 1 4   -22 0  o 29.441  2.6419 43.500   7.5956  34.590   10.823  52.147   10.662  25.818  4.4054 32.091  3.4186 -6.273476      5.576216  
1 1 1 4   -22 1  o 83.050  1.5798 341.504  12.950  327.566  18.135  356.003  18.497  81.198  2.2628 84.662  2.2136 -3.463326      3.165460  
1 1 1 4   -22 2  o 23.507  2.9750 28.022   6.7482  31.776   8.9114  22.974   10.332  24.878  3.7452 20.814  5.0751 4.063992       6.307363  
1 1 1 4   -22 3  o 53.091  1.4934 139.557  7.8258  126.787  9.6790  163.664  13.299  50.548  1.9400 57.358  2.3490 -6.809860      3.046527  
1 1 1 4   -21 0  o 105.482 3.7916 557.293  39.476  0.0000   0.0000  557.293  39.476  ?       ?      105.482 3.7916 0.000000       3.791644  
1 1 1 4   -21 1  o 33.831  2.2135 57.026   7.3507  46.659   10.363  67.523   10.428  30.346  3.5256 36.708  2.9017 -6.362244      4.566151  
1 1 1 4   -21 2  o 48.613  1.2587 116.838  6.0395  122.449  11.806  114.849  7.0288  49.647  2.4093 48.181  1.4780 1.466579       2.826506  
1 1 1 4   -21 3  o 66.662  1.4614 219.857  9.6160  229.032  14.935  213.359  12.568  67.928  2.2275 65.608  1.9407 2.320168       2.954345  
1 1 1 4   -21 4  o 30.098  2.4504 45.324   7.2163  48.911   10.100  41.583   10.314  31.099  3.3428 28.552  3.7506 2.546623       5.024115  
1 1 1 4   -20 0  o 69.064  1.4462 235.766  9.8583  228.522  15.086  241.165  13.024  67.920  2.2503 69.812  1.8901 -1.892029      2.938737  
1 1 1 4   -20 1  f 113.508 6.5615 660.032  73.200  650.466  103.294 669.682  103.747 110.447 9.5697 112.171 9.4588 -1.723351      13.45539  
1 1 1 4   -20 2  f 45.637  1.8083 103.087  8.1453  103.032  11.829  103.136  11.233  45.473  2.6469 45.518  2.5099 -0.4480362E-01 3.647701  
1 1 1 4   -20 3  o 30.041  2.1840 44.979   6.4317  47.892   8.8683  41.748   9.3416  30.885  2.9448 28.739  3.3564 2.145777       4.465149  
1 1 1 4   -20 4  o 75.930  1.5352 285.217  11.506  272.286  16.241  298.245  16.302  74.091  2.2209 77.558  2.1294 -3.467125      3.076820  
1 1 1 4   -20 5  o 13.169  4.8979 6.8564   8.5045  4.9925   10.862  9.8098   13.672  13.518  5.3966 16.182  6.1681 -2.663219      8.195675  
1 1 1 4   -20 6  o 33.233  10.370 62.056   37.714  70.627   51.975  52.523   54.810  35.340  12.231 32.413  12.351 2.926910       17.38239  
1 1 1 4   -19 0  o 62.289  1.5700 191.731  9.6528  179.641  13.803  203.303  13.504  60.246  2.3212 64.106  2.1342 -3.859127      3.153220  
1 1 1 4   -19 1  o 52.769  1.6388 137.636  8.5359  141.988  12.390  133.706  11.776  53.553  2.3440 51.971  2.2957 1.581966       3.280941  
1 1 1 4   -19 2  o 96.652  6.7167 476.426  63.679  475.825  90.221  477.022  89.890  94.922  9.7691 95.076  9.7153 -0.1540146     13.77759  
1 1 1 4   -19 3  o 137.546 1.9149 936.144  25.998  880.982  36.429  993.395  37.113  133.241 2.7700 141.517 2.6569 -8.276642      3.838259  
1 1 1 4   -19 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -19 5  o 36.280  7.7437 70.731   26.886  68.275   38.067  73.176   37.979  35.092  10.310 36.265  10.189 -1.172787      14.49472  
1 1 1 4   -19 6  o 45.301  1.6771 101.545  7.4988  103.093  11.088  100.240  10.180  45.508  2.4779 44.898  2.3048 0.6096954      3.384125  
1 1 1 4   -19 7  o 23.111  3.0917 27.065   6.8758  44.722   12.198  18.843   8.3242  29.542  4.3104 18.980  4.5100 10.56198       6.238545  
1 1 1 4   -19 8  o 11.335  4.1230 5.3285   5.9718  4.3635   8.1634  6.4393   8.7587  11.996  4.7133 13.100  4.9504 -1.104264      6.835279  
1 1 1 4   -18 0  o 89.818  1.5318 398.519  13.580  377.376  19.499  418.431  18.923  87.354  2.2616 91.997  2.0840 -4.643532      3.075301  
1 1 1 4   -18 1  o 56.411  1.4336 157.186  7.9823  148.122  10.324  170.656  12.586  54.742  1.9108 58.745  2.1706 -4.003399      2.891847  
1 1 1 4   -18 2  o 28.077  7.9244 41.141   22.919  53.785   32.608  28.795   32.222  32.076  9.5719 26.033  9.5608 6.043060       13.52882  
1 1 1 4   -18 3  o 143.680 6.7098 1042.46  95.157  1015.20  135.537 1068.96  133.628 139.645 9.8974 143.615 9.4801 -3.970078      13.70519  
1 1 1 4   -18 4  o 25.052  2.6744 31.451   6.5107  27.025   8.1984  39.010   10.713  23.019  3.7364 27.701  4.0369 -4.682032      5.500640  
1 1 1 4   -18 5  o 101.424 1.5728 508.517  15.745  506.036  22.003  511.121  22.540  101.095 2.2051 101.595 2.2477 -0.5001678     3.148730  
1 1 1 4   -18 6  o 22.747  2.7850 26.065   6.1222  17.229   8.7000  34.734   8.6170  18.196  4.7816 26.197  3.4136 -8.001122      5.875011  
1 1 1 4   -18 7  o 41.616  1.5996 85.658   6.5706  91.072   9.4872  80.666   9.1087  42.807  2.2533 40.274  2.3009 2.533115       3.220481  
1 1 1 4   -18 8  o 63.490  1.4105 199.287  8.8391  195.123  12.303  203.729  12.707  62.770  1.9858 64.137  2.0073 -1.366985      2.823582  
1 1 1 4   -18 9  o 49.936  1.8290 123.456  9.0147  102.994  16.860  131.648  10.668  45.217  3.8133 51.540  2.0969 -6.323738      4.351824  
1 1 1 4   -17 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -17 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -17 2  o 40.172  1.4443 79.702   5.7269  80.696   10.201  79.244   6.9203  40.306  2.5777 40.049  1.7506 0.2573166      3.115957  
1 1 1 4   -17 3  o 85.723  1.4477 362.956  12.249  358.607  16.770  367.930  17.934  85.177  1.9947 86.270  2.1061 -1.092514      2.900816  
1 1 1 4   -17 4  o 48.529  7.0248 120.947  32.670  130.342  46.602  111.867  45.813  49.588  9.8684 45.730  10.386 3.857784       14.32702  
1 1 1 4   -17 5  o 97.298  1.5114 467.726  14.515  438.017  20.080  500.237  21.005  94.103  2.1619 100.569 2.1161 -6.466522      3.025144  
1 1 1 4   -17 6  o 31.854  1.9511 50.371   6.1050  43.642   8.3027  58.291   9.0080  29.529  2.8855 34.193  2.6908 -4.664261      3.945422  
1 1 1 4   -17 7  o 68.683  1.3897 233.108  9.4210  233.639  13.318  232.577  13.328  68.717  1.9636 68.560  1.9696 0.1569290      2.781149  
1 1 1 4   -17 8  o 86.046  1.4221 365.953  12.078  362.772  16.846  369.317  17.325  85.608  1.9937 86.372  2.0322 -0.7637405     2.846851  
1 1 1 4   -17 9  o 74.859  1.6404 277.160  12.121  291.388  14.710  247.080  21.389  76.723  1.9425 70.490  3.0742 6.233330       3.636516  
1 1 1 4   -17 10 o 72.911  1.3443 262.763  9.6746  261.846  13.688  263.678  13.676  72.727  1.9068 72.982  1.8985 -0.2549591     2.690775  
1 1 1 4   -16 0  o 93.594  1.4480 432.586  13.377  421.657  18.317  445.078  19.583  92.378  2.0089 94.904  2.0905 -2.526146      2.899292  
1 1 1 4   -16 1  o 35.480  1.2781 62.157   4.4761  61.422   9.4671  62.368   5.0797  35.131  2.7522 35.538  1.4481 -0.4067688     3.109932  
1 1 1 4   -16 2  f 95.351  1.4396 448.987  13.548  469.975  19.896  430.841  18.501  97.522  2.0670 93.377  2.0073 4.145027       2.881261  
1 1 1 4   -16 3  o 43.356  1.5559 92.840   6.6585  90.512   9.2722  95.318   9.5677  42.736  2.2057 43.858  2.2174 -1.121803      3.127601  
1 1 1 4   -16 4  o 115.397 1.6712 657.810  19.035  660.588  26.100  654.654  27.822  115.594 2.2875 115.059 2.4498 0.5351028      3.351792  
1 1 1 4   -16 5  o 108.528 6.4594 592.067  68.881  595.322  97.390  588.808  97.434  107.814 9.2410 107.194 9.3011 0.6204529      13.11134  
1 1 1 4   -16 6  o 72.663  1.2794 260.745  9.1757  262.351  12.828  259.064  13.130  72.863  1.7837 72.402  1.8373 0.4608078      2.560726  
1 1 1 4   -16 7  o 175.463 2.2817 1523.22  39.516  1489.06  55.700  1557.83  56.069  173.259 3.2571 177.229 3.2052 -3.970016      4.569655  
1 1 1 4   -16 8  o 111.528 1.5973 614.765  17.584  607.269  24.628  622.558  25.113  110.766 2.2526 112.149 2.2687 -1.383408      3.197041  
1 1 1 4   -16 9  o 21.925  2.5009 24.130   5.3153  25.852   8.4176  22.987   6.8547  22.450  3.9425 21.243  3.3825 1.206839       5.194728  
1 1 1 4   -16 10 o 49.933  1.3097 123.207  6.4549  115.673  8.8782  131.657  9.4015  48.351  1.8603 51.585  1.8465 -3.233562      2.621088  
1 1 1 4   -16 11 o 82.068  2.8734 334.553  23.276  354.314  74.473  332.413  24.504  81.501  9.4320 81.775  3.0358 -0.2734375     9.908490  
1 1 1 4   -15 0  o 115.864 1.6385 662.994  18.738  679.514  25.749  644.395  27.320  117.263 2.2246 114.178 2.4242 3.084526       3.290257  
1 1 1 4   -15 1  f 91.594  1.4372 414.263  12.993  391.830  18.401  436.572  18.349  89.051  2.0934 94.004  1.9776 -4.952827      2.879798  
1 1 1 4   -15 2  o 27.302  0.9529 36.797   2.5680  26.217   3.6495  47.174   3.6143  22.983  1.6191 30.911  1.1846 -7.928030      2.006170  
1 1 1 4   -15 3  o 141.258 1.9008 985.742  26.503  970.152  37.304  1001.63  37.659  140.066 2.6983 142.322 2.6808 -2.255997      3.803622  
1 1 1 4   -15 4  o 156.990 2.2082 1218.01  34.217  1234.01  46.972  1199.91  49.945  157.925 3.0134 155.695 3.2500 2.230133       4.432076  
1 1 1 4   -15 5  o 58.391  1.1882 168.339  6.8480  172.356  10.170  165.006  9.2630  59.070  1.7442 57.800  1.6236 1.269775       2.382959  
1 1 1 4   -15 6  o 25.543  2.8409 32.679   7.0411  32.221   7.2522  40.198   29.393  25.346  2.9543 28.487  9.1872 -3.140965      9.650560  
1 1 1 4   -15 7  o 80.033  1.2884 316.304  10.178  299.236  14.223  334.213  14.569  77.820  1.8517 82.245  1.7947 -4.425529      2.578749  
1 1 1 4   -15 8  o 71.796  1.1836 254.545  8.3878  251.687  11.878  257.388  11.846  71.371  1.6862 72.175  1.6628 -0.8049164     2.368162  
1 1 1 4   -15 9  o 45.904  1.3476 104.087  6.1059  113.739  8.6854  94.655   8.5856  47.966  1.8345 43.751  1.9882 4.215313       2.705228  
1 1 1 4   -15 10 o 133.963 3.9675 894.193  52.460  0.0000   0.0000  894.193  52.460  ?       ?      133.963 3.9675 0.000000       3.967460  
1 1 1 4   -15 11 o 93.268  7.4745 448.296  68.232  450.441  118.694 447.236  83.387  89.110  13.953 92.112  9.2990 -3.001930      16.76750  
1 1 1 4   -15 12 o 28.599  7.3494 43.510   20.858  37.860   29.972  48.816   29.046  27.495  9.2940 30.275  9.0339 -2.780125      12.96111  
1 1 1 4   -15 13 o 9.8274  3.6126 3.8343   4.6021  3.6833   5.7219  4.1108   7.7446  10.398  3.9839 11.711  4.5941 -1.312423      6.080885  
1 1 1 4   -14 0  o 104.446 1.5814 538.702  16.303  544.288  23.187  533.241  22.926  104.955 2.2382 103.885 2.2358 1.070450       3.163656  
1 1 1 4   -14 1  f 81.644  1.3224 329.109  10.657  318.114  15.242  339.624  14.905  80.250  1.9243 82.923  1.8210 -2.672668      2.649362  
1 1 1 4   -14 2  o 34.421  1.1751 58.493   3.9924  50.050   7.4217  61.931   4.7360  31.734  2.3869 35.416  1.3548 -3.682192      2.744594  
1 1 1 4   -14 3  o 156.991 2.0439 1217.60  31.672  1188.17  44.607  1247.52  44.977  154.999 2.9157 158.828 2.8690 -3.829147      4.090499  
1 1 1 4   -14 4  o 228.340 2.8240 2578.34  63.647  2569.31  89.858  2587.43  90.162  227.711 3.9980 228.513 3.9974 -0.8018188     5.653610  
1 1 1 4   -14 5  o 94.831  1.4126 444.047  13.222  426.046  18.349  463.488  19.070  92.865  2.0019 96.860  1.9946 -3.995071      2.825961  
1 1 1 4   -14 6  o 14.982  1.4790 11.192   2.1586  10.829   2.2533  15.246   7.5251  14.724  1.5749 17.206  4.4104 -2.482228      4.683187  
1 1 1 4   -14 7  o 149.857 2.6865 1110.60  39.737  1105.83  41.362  1167.76  143.149 149.521 2.8027 151.538 9.6204 -2.017487      10.02028  
1 1 1 4   -14 8  o 237.885 2.9480 2800.55  69.219  2846.22  97.857  2754.82  97.925  239.495 4.1396 235.596 4.2111 3.898972       5.905043  
1 1 1 4   -14 9  o 84.407  6.3854 358.934  52.805  347.157  74.819  370.622  74.538  82.036  9.4104 84.934  9.0297 -2.898254      13.04190  
1 1 1 4   -14 10 o 79.572  6.3720 320.187  49.626  340.904  70.103  299.377  70.262  81.230  8.8887 75.780  9.6095 5.449852       13.09012  
1 1 1 4   -14 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -14 12 o 84.627  1.3262 353.843  11.077  372.603  15.705  335.270  15.627  86.797  1.8332 82.325  1.9231 4.472008       2.656861  
1 1 1 4   -14 13 o 96.402  1.4307 459.292  13.614  469.084  19.292  449.578  19.215  97.358  2.0075 95.308  2.0425 2.050354       2.863936  
1 1 1 4   -14 14 o 9.0650  3.3661 3.1469   4.0135  1.9873   5.0868  5.0593   6.5326  9.1771  3.6827 11.504  4.2899 -2.327187      5.653840  
1 1 1 4   -13 0  f 224.891 3.3161 2501.47  73.609  2547.46  104.155 2455.57  104.042 226.709 4.6545 222.566 4.7361 4.143066       6.640404  
1 1 1 4   -13 1  o 200.056 2.7053 1978.19  53.420  2021.17  75.363  1934.78  75.732  202.071 3.7785 197.689 3.8812 4.381500       5.416695  
1 1 1 4   -13 2  o 123.758 1.7488 756.385  21.363  750.631  28.638  763.603  32.077  123.254 2.3540 124.297 2.6146 -1.042938      3.518137  
1 1 1 4   -13 3  o 66.781  1.2229 220.169  8.0610  214.493  10.909  226.994  11.963  65.905  1.6771 67.795  1.7878 -1.890427      2.451263  
1 1 1 4   -13 4  o 15.607  3.0793 12.468   4.5750  10.934   6.1273  14.401   6.8777  14.649  4.0842 16.723  4.1786 -2.073657      5.843049  
1 1 1 4   -13 5  o 190.454 2.4530 1792.65  46.114  1790.32  68.093  1794.62  62.673  190.172 3.6276 190.446 3.3341 -0.2737579     4.927034  
1 1 1 4   -13 6  o 62.721  1.1549 194.211  7.1496  191.165  9.8461  197.608  10.399  62.218  1.6033 63.257  1.6655 -1.038338      2.311792  
1 1 1 4   -13 7  o 132.705 9.2743 891.681  120.716 873.402  170.592 910.015  170.844 129.511 13.545 132.365 13.255 -2.854080      18.95172  
1 1 1 4   -13 8  o 198.401 7.2134 1969.37  141.260 1967.65  199.960 1971.08  199.583 196.665 10.337 196.854 10.308 -0.1888580     14.59824  
1 1 1 4   -13 9  o 64.094  6.5517 207.331  40.865  209.616  58.259  205.119  57.337  63.679  9.5646 62.992  9.5187 0.6865463      13.49395  
1 1 1 4   -13 10 o 120.764 6.4723 732.053  76.868  725.508  108.963 738.537  108.456 119.149 9.3400 120.278 9.2054 -1.129211      13.11391  
1 1 1 4   -13 11 o 75.577  1.1766 282.059  8.7771  286.881  12.180  276.848  12.660  76.201  1.6193 74.852  1.7135 1.349266       2.357634  
1 1 1 4   -13 12 o 60.543  1.1296 181.020  6.7501  179.772  9.4739  182.306  9.6199  60.315  1.5914 60.738  1.6046 -0.4229012     2.259942  
1 1 1 4   -13 13 f 18.446  2.1753 17.072   3.8844  20.077   5.3890  13.823   5.6041  19.927  2.8185 16.359  3.5708 3.568003       4.549132  
1 1 1 4   -13 14 o 80.223  1.2506 317.937  9.9028  333.771  13.637  300.274  14.403  82.162  1.6816 77.913  1.8729 4.249077       2.517074  
1 1 1 4   -13 15 o 40.107  1.1995 79.471   4.7486  81.708   6.4652  76.851   6.9973  40.650  1.6113 39.414  1.7986 1.235863       2.414853  
1 1 1 4   -12 0  o 23.948  0.8084 28.307   1.9110  29.897   3.1726  27.401   2.3939  24.575  1.3127 23.561  1.0294 1.013479       1.668199  
1 1 1 4   -12 1  o 77.454  1.3154 296.152  10.057  285.022  14.655  306.057  13.825  75.971  1.9544 78.729  1.7791 -2.757805      2.642890  
1 1 1 4   -12 2  o 61.257  1.1608 185.231  7.0184  185.795  9.8098  184.639  10.045  61.343  1.6202 61.151  1.6643 0.1920052      2.322679  
1 1 1 4   -12 3  o 58.371  1.0862 168.188  6.2579  166.935  8.4572  169.705  9.3031  58.147  1.4735 58.626  1.6077 -0.4780922     2.180837  
1 1 1 4   -12 4  o 113.195 2.1641 632.962  24.180  632.210  33.535  633.775  34.896  113.078 3.0046 113.209 3.1229 -0.1314621     4.333599  
1 1 1 4   -12 5  o 107.218 6.2815 573.986  66.186  530.874  93.557  617.178  93.644  102.365 9.3634 110.634 8.6441 -8.269699      12.74337  
1 1 1 4   -12 6  o 138.657 6.5955 957.817  90.266  942.816  127.644 972.824  127.666 136.561 9.5296 138.780 9.3750 -2.218597      13.36796  
1 1 1 4   -12 7  o 26.987  6.9944 37.686   18.784  41.899   26.346  33.331   26.788  28.740  8.6103 26.430  8.7854 2.309725       12.30126  
1 1 1 4   -12 8  o 96.208  6.2063 462.742  58.622  454.414  82.809  471.108  82.999  94.678  8.9681 96.458  8.8151 -1.779968      12.57512  
1 1 1 4   -12 9  o 114.895 2.2777 652.315  25.830  652.315  25.830  0.0000   0.0000  114.895 2.2777 ?       ?      0.000000       2.277699  
1 1 1 4   -12 10 o 127.205 1.6843 799.185  21.148  788.310  29.759  810.279  30.058  126.287 2.3874 128.036 2.3785 -1.748360      3.369969  
1 1 1 4   -12 11 f 142.850 1.8476 1008.17  26.050  1028.25  36.832  988.071  36.849  144.190 2.5880 141.338 2.6414 2.851273       3.697919  
1 1 1 4   -12 12 o 104.871 1.4437 543.216  14.944  578.841  21.370  509.124  20.905  108.214 2.0007 101.481 2.0870 6.732811       2.891127  
1 1 1 4   -12 13 o 67.651  1.1445 226.010  7.6421  242.474  10.857  209.844  10.759  70.051  1.5702 65.162  1.6728 4.889030       2.294287  
1 1 1 4   -12 14 o 26.901  1.4728 35.867   3.8959  35.504   5.8266  36.160   5.2393  26.690  2.2322 26.965  1.9824 -0.2747631     2.985400  
1 1 1 4   -12 15 o 25.816  1.5934 33.069   4.0405  29.238   5.5591  37.360   5.8828  24.184  2.3589 27.385  2.1948 -3.201435      3.222048  
1 1 1 4   -12 16 o 48.035  1.3370 114.021  6.3390  121.993  9.6194  107.901  8.4277  49.650  1.9629 46.702  1.8282 2.947128       2.682445  
1 1 1 4   -11 0  o 154.016 2.0698 1171.25  31.464  1158.52  46.748  1181.79  42.543  153.131 3.0929 154.677 2.7866 -1.545731      4.163061  
1 1 1 4   -11 1  o 119.836 1.5729 708.948  18.605  689.647  26.109  728.860  26.518  118.175 2.2383 121.489 2.2114 -3.314133      3.146526  
1 1 1 4   -11 2  o 182.923 6.8457 1661.98  123.601 1596.44  174.518 1727.94  175.079 178.380 9.9517 185.710 9.5840 -7.330643      13.81628  
1 1 1 4   -11 3  f 89.680  6.3030 401.265  55.438  393.489  78.073  409.174  78.734  88.285  9.0893 90.069  8.9759 -1.784309      12.77423  
1 1 1 4   -11 4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -11 5  o 66.900  6.1935 224.324  40.434  214.223  57.171  234.432  57.193  64.760  9.2031 67.905  8.7356 -3.145775      12.68892  
1 1 1 4   -11 6  o 138.647 2.4201 949.795  33.120  961.782  46.918  937.889  46.759  139.440 3.4090 137.694 3.4404 1.745850       4.843311  
1 1 1 4   -11 7  o 165.882 2.0941 1359.23  34.288  1343.34  48.403  1375.24  48.578  164.834 2.9750 166.783 2.9509 -1.948257      4.190310  
1 1 1 4   -11 8  o 119.189 1.5630 701.454  18.388  691.334  25.824  711.863  26.190  118.295 2.2116 120.039 2.2104 -1.743660      3.126894  
1 1 1 4   -11 9  o 137.963 1.7908 940.009  24.387  974.148  34.489  905.873  34.487  140.400 2.4887 135.383 2.5808 5.016418       3.585323  
1 1 1 4   -11 10 o 24.116  1.3578 28.805   3.2189  27.367   4.4055  30.452   4.7148  23.460  1.9193 24.753  1.9454 -1.292719      2.732840  
1 1 1 4   -11 11 o 107.018 1.4501 565.524  15.317  571.711  21.598  559.263  21.726  107.574 2.0342 106.394 2.0688 1.179489       2.901341  
1 1 1 4   -11 12 o 211.364 2.6117 2209.34  54.486  2250.03  76.995  2168.53  77.116  213.089 3.6607 209.178 3.7351 3.911850       5.229853  
1 1 1 4   -11 13 o 144.364 2.1251 1030.30  30.281  1035.59  37.166  1019.85  52.225  144.673 2.6027 143.383 3.6902 1.289124       4.515725  
1 1 1 4   -11 14 o 99.701  1.6459 491.207  16.197  460.619  27.081  508.241  20.210  96.423  2.8455 101.382 2.0196 -4.959137      3.489345  
1 1 1 4   -11 15 o 38.823  1.1350 74.437   4.3491  74.788   5.8344  73.998   6.5243  38.903  1.5194 38.690  1.7084 0.2126160      2.286373  
1 1 1 4   -11 16 o 64.554  1.1440 205.823  7.2891  204.125  10.060  207.700  10.576  64.263  1.5860 64.819  1.6531 -0.5560150     2.290838  
1 1 1 4   -10 0  o 117.484 6.2953 685.435  72.736  706.100  102.889 664.791  102.838 118.895 8.8305 115.299 9.1106 3.595284       12.68783  
1 1 1 4   -10 1  o 133.821 6.4092 887.125  84.656  864.360  119.621 909.968  119.824 131.504 9.2753 134.986 9.0457 -3.481598      12.95589  
1 1 1 4   -10 2  o 93.632  6.2885 436.336  57.780  418.238  81.418  454.699  82.013  91.222  9.1665 95.212  8.8272 -3.990211      12.72571  
1 1 1 4   -10 3  o 252.658 4.0126 3156.30  100.066 3144.60  141.542 3168.00  141.489 251.952 5.6916 252.891 5.6683 -0.9398804     8.032701  
1 1 1 4   -10 4  o 379.009 4.9278 7112.09  184.347 7123.84  252.470 7098.67  269.805 378.789 6.7527 377.953 7.2324 0.8365784      9.894753  
1 1 1 4   -10 5  o 210.084 2.6047 2180.41  54.011  2143.87  76.286  2217.14  76.481  208.205 3.7121 211.740 3.6595 -3.534103      5.212596  
1 1 1 4   -10 6  f 42.352  1.0523 88.540   4.3990  82.481   6.0814  95.189   6.3708  40.873  1.5074 43.910  1.4699 -3.036278      2.105469  
1 1 1 4   -10 7  o 133.377 1.7242 878.433  22.698  850.411  31.967  906.928  32.236  131.195 2.4686 135.488 2.4105 -4.292938      3.450286  
1 1 1 4   -10 8  o 56.448  0.9488 157.282  5.2864  156.506  7.4465  158.071  7.5060  56.304  1.3399 56.585  1.3439 -0.2807045     1.897767  
1 1 1 4   -10 9  o 143.920 1.8578 1022.94  26.390  1053.82  37.342  992.125  37.301  146.028 2.5908 141.684 2.6673 4.344482       3.718389  
1 1 1 4   -10 10 o 165.143 2.7997 1348.15  45.636  1123.72  155.861 1369.19  47.727  148.768 10.686 166.416 2.9056 -17.64806      11.07353  
1 1 1 4   -10 11 o 260.904 3.4628 3368.44  89.174  3487.97  126.143 3249.03  126.079 265.161 4.8197 255.869 4.9922 9.291565       6.939151  
1 1 1 4   -10 12 f 74.096  1.1111 271.034  8.1262  279.310  11.316  262.220  11.677  75.208  1.5243 72.868  1.6236 2.339943       2.227003  
1 1 1 4   -10 13 o 165.753 2.3577 1358.11  38.574  1358.61  47.616  1357.15  65.792  165.713 2.9111 165.436 4.0291 0.2772217      4.970779  
1 1 1 4   -10 14 o 25.516  1.3416 32.243   3.3670  29.769   5.0046  34.288   4.5509  24.451  2.0939 26.284  1.7644 -1.833202      2.738147  
1 1 1 4   -10 15 o 16.326  2.0641 13.390   3.2520  17.224   4.3129  8.3386   4.9507  18.500  2.4199 12.823  3.7039 5.677055       4.424366  
1 1 1 4   -10 16 o 53.037  1.1043 138.916  5.7807  154.389  8.3861  124.909  7.9794  55.896  1.5200 50.273  1.6081 5.622810       2.212759  
1 1 1 4   -10 17 o 106.396 1.4722 559.400  15.460  600.532  22.062  519.714  21.671  110.174 2.0288 102.478 2.1425 7.695877       2.950612  
1 1 1 4   -9  0  o 341.465 8.9305 5785.25  300.994 5705.06  425.662 5865.45  425.677 338.152 12.753 342.923 12.576 -4.771393      17.91102  
1 1 1 4   -9  1  o 381.159 4.7671 7181.31  179.347 7021.11  278.943 7294.19  234.164 376.443 7.5073 383.937 6.1791 -7.493378      9.723219  
1 1 1 4   -9  2  o 150.424 2.0134 1117.05  29.894  1131.69  44.577  1105.09  40.298  151.377 2.9835 149.596 2.7292 1.781113       4.043452  
1 1 1 4   -9  3  o 111.204 1.6642 610.442  18.267  643.061  25.564  576.412  26.111  114.124 2.2695 108.045 2.4485 6.079704       3.338473  
1 1 1 4   -9  4  o 220.672 2.8184 2405.15  61.388  2370.82  82.994  2446.61  91.219  219.018 3.8391 222.464 4.1542 -3.445267      5.656569  
1 1 1 4   -9  5  o 187.349 2.4391 1733.44  45.104  1727.67  61.063  1740.36  66.911  186.982 3.3086 187.645 3.6127 -0.6620789     4.898822  
1 1 1 4   -9  6  o 131.104 1.7781 848.647  23.010  840.329  30.785  859.176  34.636  130.437 2.3911 131.880 2.6608 -1.442184      3.577357  
1 1 1 4   -9  7  o 159.916 2.1249 1262.98  33.540  1247.80  47.354  1278.27  47.512  158.893 3.0194 160.824 2.9931 -1.930313      4.251482  
1 1 1 4   -9  8  o 98.989  1.3052 483.734  12.753  452.399  17.797  516.800  18.282  95.713  1.8839 102.302 1.8106 -6.588493      2.612882  
1 1 1 4   -9  9  o 148.225 1.8872 1085.02  27.610  1078.92  39.005  1091.15  39.088  147.758 2.6745 148.595 2.6651 -0.8360901     3.775636  
1 1 1 4   -9  10 o 114.896 1.5233 651.789  17.275  642.472  24.388  661.173  24.474  114.045 2.1665 115.694 2.1432 -1.649040      3.047467  
1 1 1 4   -9  11 o 41.517  1.3493 85.096   5.5290  35.037   33.610  86.488   5.6054  27.996  9.8274 41.855  1.3568 -13.85894      9.920603  
1 1 1 4   -9  12 o 101.143 1.4047 505.085  14.024  531.072  19.812  478.990  19.853  103.693 1.9357 98.473  2.0426 5.220268       2.814089  
1 1 1 4   -9  13 o 115.095 1.5410 654.129  17.506  625.693  24.576  683.419  24.943  112.531 2.2127 117.611 2.1486 -5.080429      3.084221  
1 1 1 4   -9  14 o 167.727 2.4157 1390.73  39.993  1382.79  49.481  1405.70  67.916  167.171 2.9988 168.361 4.0869 -1.190613      5.069104  
1 1 1 4   -9  15 o 54.005  1.0506 143.997  5.6001  148.596  8.2506  140.068  7.6257  54.848  1.5240 53.254  1.4508 1.594948       2.104119  
1 1 1 4   -9  16 o 63.939  1.1392 201.885  7.1898  215.949  10.770  190.577  9.6569  66.106  1.6505 62.105  1.5753 4.001186       2.281667  
1 1 1 4   -9  17 o 80.391  1.2419 319.218  9.8546  319.413  13.871  319.020  14.003  80.382  1.7483 80.332  1.7660 0.5079651E-01  2.485037  
1 1 1 4   -9  18 f 29.363  1.4787 42.714   4.2719  53.207   5.9734  31.730   6.1119  32.749  1.8556 25.187  2.4911 7.561108       3.106238  
1 1 1 4   -8  0  o 145.676 1.8872 1047.56  27.135  1048.59  38.347  1046.51  38.404  145.731 2.6659 145.586 2.6725 0.1448517      3.774835  
1 1 1 4   -8  1  o 77.805  1.7302 298.813  13.287  0.0000   0.0000  298.813  13.287  ?       ?      77.805  1.7302 0.000000       1.730183  
1 1 1 4   -8  2  o 381.643 4.8395 7199.58  182.302 7213.54  257.825 7185.62  257.804 381.711 6.8432 380.970 6.8559 0.7414856      9.686726  
1 1 1 4   -8  3  o 301.059 3.5847 4477.05  106.522 4576.47  150.659 4377.67  150.630 304.253 5.0168 297.560 5.1287 6.693237       7.174361  
1 1 1 4   -8  4  o 188.915 2.4518 1762.12  45.719  1703.85  67.833  1810.63  61.887  185.711 3.7006 191.464 3.2748 -5.752655      4.941501  
1 1 1 4   -8  5  o 104.162 1.4284 535.546  14.686  505.555  21.687  560.947  19.958  101.191 2.1713 106.596 1.8969 -5.404793      2.883201  
1 1 1 4   -8  6  o 56.007  0.9169 154.822  5.0685  147.061  7.0311  163.218  7.3131  54.583  1.3051 57.504  1.2885 -2.920418      1.833941  
1 1 1 4   -8  7  o 66.689  0.9616 219.512  6.3297  234.865  9.0480  204.798  8.8579  68.978  1.3290 64.411  1.3933 4.566925       1.925462  
1 1 1 4   -8  8  o 184.390 2.4421 1679.46  44.447  1636.81  62.773  1722.34  62.942  181.948 3.4953 186.649 3.4165 -4.700958      4.887722  
1 1 1 4   -8  9  o 103.850 1.3624 532.414  13.965  558.160  19.818  507.022  19.681  106.315 1.8886 101.326 1.9678 4.989853       2.727453  
1 1 1 4   -8  10 o 197.846 2.4363 1933.85  47.575  1953.03  67.252  1914.63  67.312  198.720 3.4287 196.752 3.4661 1.968063       4.875418  
1 1 1 4   -8  11 o 160.261 1.9935 1268.49  31.534  1210.16  44.421  1327.76  44.774  156.470 2.8762 163.906 2.7676 -7.435837      3.991498  
1 1 1 4   -8  12 o 204.264 7.1878 2080.16  144.918 2054.50  204.859 2105.86  205.032 201.672 10.326 204.494 10.158 -2.822083      14.48492  
1 1 1 4   -8  13 o 73.179  1.1384 264.359  8.2227  275.187  11.787  254.094  11.477  74.652  1.5997 71.734  1.6209 2.918571       2.277322  
1 1 1 4   -8  14 o 23.990  1.3865 28.512   3.2690  33.184   4.4511  23.040   4.8167  25.862  1.7541 21.470  2.3093 4.392138       2.899956  
1 1 1 4   -8  15 o 33.217  1.3122 54.482   4.3022  53.640   6.7346  55.063   5.5919  32.881  2.0859 33.345  1.7047 -0.4636765     2.693879  
1 1 1 4   -8  16 o 68.460  1.1489 231.416  7.7636  228.780  11.359  233.727  10.635  68.049  1.6912 68.786  1.5664 -0.7370605     2.305181  
1 1 1 4   -8  17 o 99.792  1.4286 491.949  14.072  497.306  20.160  486.859  19.650  100.283 2.0367 99.227  2.0063 1.056030       2.858945  
1 1 1 4   -8  18 o 91.537  1.3223 413.918  11.947  417.276  17.122  410.732  16.678  91.863  1.8883 91.143  1.8539 0.7200165      2.646231  
1 1 1 4   -8  19 f 34.830  1.4231 59.946   4.8924  62.968   6.8013  56.705   7.0427  35.626  1.9415 33.784  2.1228 1.842010       2.876737  
1 1 1 4   -7  0  o 133.926 1.6918 885.341  22.364  882.945  31.616  887.740  31.639  133.732 2.3952 134.095 2.3904 -0.3627777     3.383939  
1 1 1 4   -7  1  o 113.554 1.4841 636.456  16.634  650.687  23.527  622.231  23.522  114.809 2.0762 112.270 2.1226 2.539200       2.969179  
1 1 1 4   -7  2  f 205.993 3.6552 2095.88  74.319  2091.34  202.240 2096.59  79.911  205.226 9.9839 206.015 3.9298 -0.7893066     10.72951  
1 1 1 4   -7  3  o 135.303 1.9875 903.707  26.542  918.048  37.604  889.469  37.470  136.356 2.7940 134.216 2.8284 2.139999       3.975725  
1 1 1 4   -7  4  f 263.296 3.4463 3423.98  89.564  3447.16  126.544 3400.71  126.781 264.084 4.8548 262.295 4.8970 1.788879       6.895613  
1 1 1 4   -7  5  o 444.030 5.3472 9749.94  234.355 9877.28  319.356 9601.34  344.981 446.546 7.2456 440.101 7.9416 6.444672       10.75028  
1 1 1 4   -7  6  o 103.470 1.3725 528.443  14.017  563.986  19.923  493.601  19.726  106.886 1.8885 99.992  1.9986 6.893578       2.749687  
1 1 1 4   -7  7  o 196.757 2.5425 1911.79  49.377  1965.02  66.883  1848.02  73.203  199.427 3.3978 193.368 3.8354 6.058502       5.123980  
1 1 1 4   -7  8  o 83.449  1.1349 343.726  9.3481  344.029  13.190  343.420  13.251  83.479  1.6008 83.405  1.6096 0.7399750E-01  2.270067  
1 1 1 4   -7  9  o 56.816  0.9130 159.329  5.1202  174.134  7.4367  145.987  7.0601  59.393  1.2686 54.381  1.3153 5.012104       1.827360  
1 1 1 4   -7  10 o 160.436 2.0294 1271.18  32.137  1289.80  45.452  1252.56  45.445  161.554 2.8503 159.201 2.8921 2.352844       4.060600  
1 1 1 4   -7  11 o 130.301 1.6771 838.334  21.569  806.352  30.416  870.688  30.592  127.758 2.4120 132.761 2.3346 -5.003220      3.356772  
1 1 1 4   -7  12 o 296.466 3.5529 4347.76  103.967 4398.06  147.034 4297.47  147.028 297.835 5.0016 294.393 5.0599 3.441681       7.114662  
1 1 1 4   -7  13 o 46.003  6.4197 107.263  28.355  107.429  40.135  107.097  40.066  45.486  9.2544 45.414  9.2525 0.7152176E-01  13.08632  
1 1 1 4   -7  14 o 201.267 2.5882 2002.00  51.416  2071.17  72.794  1933.15  72.633  204.578 3.6050 197.626 3.7236 6.952026       5.182757  
1 1 1 4   -7  15 o 26.124  1.3674 33.788   3.5135  47.787   6.5300  28.083   4.1684  31.026  2.1455 23.778  1.7892 7.248335       2.793619  
1 1 1 4   -7  16 o 47.241  1.2005 110.185  5.5979  121.633  9.3037  103.689  7.0085  49.618  1.8997 45.820  1.5497 3.797348       2.451607  
1 1 1 4   -7  17 o 86.326  1.2880 368.020  10.975  367.229  15.970  368.729  15.107  86.201  1.8770 86.384  1.7718 -0.1824036     2.581165  
1 1 1 4   -7  18 o 38.660  1.3135 73.823   5.0122  84.684   7.3329  64.301   6.8665  41.391  1.7949 36.010  1.9390 5.380413       2.642255  
1 1 1 4   -7  19 f 86.035  1.3298 365.659  11.293  384.685  16.362  348.352  15.605  88.203  1.8795 83.934  1.8837 4.269012       2.660933  
1 1 1 4   -7  20 o 88.676  1.3507 388.521  11.822  403.460  16.996  374.520  16.455  90.312  1.9066 87.012  1.9159 3.300278       2.702940  
1 1 1 4   -6  0  o 368.056 4.8891 6696.48  177.615 6644.33  239.894 6759.74  264.238 366.366 6.6339 369.427 7.2466 -3.060211      9.824549  
1 1 1 4   -6  1  o 153.153 2.2632 1157.97  34.212  1149.17  45.469  1169.47  51.941  152.549 3.0198 153.878 3.4198 -1.328979      4.562226  
1 1 1 4   -6  2  o 217.168 2.7722 2328.64  59.422  2312.85  80.392  2347.65  88.223  216.387 3.7640 217.991 4.1002 -1.604034      5.565932  
1 1 1 4   -6  3  o 162.098 6.5883 1300.12  105.410 1323.00  148.097 1276.63  150.067 163.057 9.2398 160.121 9.5384 2.935989       13.27991  
1 1 1 4   -6  4  f 298.622 3.7310 4404.61  109.973 4415.98  155.527 4393.23  155.523 298.883 5.2719 298.111 5.2855 0.7720337      7.465230  
1 1 1 4   -6  5  o 231.497 3.0573 2646.36  69.859  2747.47  98.858  2545.50  98.732  235.814 4.2473 226.972 4.4071 8.842636       6.120601  
1 1 1 4   -6  6  o 189.891 2.4588 1780.28  46.085  1815.25  62.237  1737.83  68.571  191.717 3.2889 187.566 3.7038 4.150940       4.953339  
1 1 1 4   -6  7  o 296.400 3.8031 4340.50  111.263 4287.49  157.413 4393.42  157.287 294.417 5.4168 298.040 5.3467 -3.623169      7.611106  
1 1 1 4   -6  8  o 126.083 1.6169 784.733  20.123  816.077  28.508  753.607  28.408  128.561 2.2466 123.540 2.3297 5.020782       3.236431  
1 1 1 4   -6  9  o 138.898 1.7585 952.479  24.108  961.184  34.120  943.800  34.069  139.506 2.4779 138.238 2.4969 1.268097       3.517730  
1 1 1 4   -6  10 o 64.707  0.9841 206.665  6.2854  200.184  8.9332  213.020  8.8452  63.680  1.4213 65.690  1.3642 -2.010700      1.970033  
1 1 1 4   -6  11 o 202.204 2.4934 2019.89  49.765  2032.40  70.389  2007.38  70.367  202.727 3.5177 201.474 3.5385 1.253784       4.989498  
1 1 1 4   -6  12 o 87.721  1.2104 379.859  10.481  368.167  14.669  392.049  14.979  86.349  1.7212 89.106  1.7031 -2.757072      2.421340  
1 1 1 4   -6  13 f 44.204  0.9191 96.447   4.0099  113.067  5.6894  80.042   5.6525  47.859  1.2044 40.265  1.4223 7.593708       1.863719  
1 1 1 4   -6  14 o 107.370 2.0244 569.399  21.454  565.645  22.032  638.093  94.254  107.013 2.0859 112.603 8.5440 -5.590233      8.794969  
1 1 1 4   -6  15 o 131.623 1.6943 855.528  22.012  925.466  31.546  789.159  30.730  136.860 2.3352 126.371 2.4637 10.48824       3.394557  
1 1 1 4   -6  16 o 147.144 1.9029 1069.51  27.637  1116.72  39.667  1024.97  38.526  150.290 2.6740 143.980 2.7109 6.310318       3.807822  
1 1 1 4   -6  17 o 67.892  1.1772 227.582  7.8886  221.317  11.797  232.649  10.609  66.932  1.7857 68.632  1.5661 -1.700211      2.375209  
1 1 1 4   -6  18 o 42.211  1.2388 87.990   5.1612  87.643   8.3735  88.202   6.5542  42.105  2.0148 42.253  1.5715 -0.1481361     2.555249  
1 1 1 4   -6  19 f 95.804  1.4064 453.425  13.299  429.621  18.763  477.455  18.852  93.203  2.0396 98.264  1.9437 -5.061302      2.817410  
1 1 1 4   -6  20 o 122.589 1.6580 742.808  20.062  733.210  28.695  751.984  28.058  121.694 2.3890 123.255 2.3063 -1.561470      3.320588  
1 1 1 4   -5  0  o 63.737  1.0711 200.509  6.7384  188.018  10.765  208.558  8.6408  61.715  1.7672 65.002  1.3468 -3.287426      2.221860  
1 1 1 4   -5  1  o 174.214 2.1642 1498.42  37.215  1540.89  52.692  1456.14  52.570  176.635 3.0223 171.706 3.1018 4.929657       4.330741  
1 1 1 4   -5  2  o 250.169 3.4540 3091.30  85.289  3002.13  127.758 3162.99  114.553 246.396 5.2532 252.971 4.5878 -6.574402      6.974496  
1 1 1 4   -5  3  o 364.341 4.6115 6560.07  165.839 6564.35  234.573 6555.79  234.489 364.212 6.5252 363.975 6.5271 0.2377625      9.229317  
1 1 1 4   -5  4  o 170.206 2.9223 1430.45  49.094  1411.25  51.573  1615.90  160.275 169.055 3.0907 180.516 8.9953 -11.46107      9.511474  
1 1 1 4   -5  5  o 201.724 2.6112 2009.05  51.991  1959.50  77.190  2050.20  70.340  199.172 3.9264 203.748 3.4976 -4.576035      5.258357  
1 1 1 4   -5  6  o 45.622  0.8940 102.725  4.0259  110.197  5.7115  95.347   5.6755  47.251  1.2246 43.952  1.3083 3.299313       1.791993  
1 1 1 4   -5  7  o 322.423 3.9586 5136.05  125.981 5008.82  185.976 5243.93  171.260 318.190 5.9216 325.648 5.3281 -7.457672      7.965800  
1 1 1 4   -5  8  o 325.869 3.8029 5246.39  122.318 5180.23  172.949 5312.60  173.018 323.629 5.4142 327.746 5.3484 -4.117126      7.610452  
1 1 1 4   -5  9  o 130.971 1.6964 846.782  21.930  865.468  31.004  828.074  31.022  132.391 2.3726 129.498 2.4270 2.893250       3.394077  
1 1 1 4   -5  10 o 100.563 1.3512 499.197  13.412  496.760  18.860  501.690  19.076  100.306 1.9050 100.802 1.9173 -0.4962311     2.702731  
1 1 1 4   -5  11 o 58.353  0.9444 168.066  5.4396  158.280  7.5183  178.816  7.8800  56.625  1.3452 60.186  1.3265 -3.561596      1.889190  
1 1 1 4   -5  12 o 223.819 2.7407 2475.32  60.548  2426.39  85.558  2524.40  85.697  221.454 3.9142 225.893 3.8435 -4.438599      5.485766  
1 1 1 4   -5  13 o 269.799 3.2584 3599.02  86.772  3653.95  122.762 3544.18  122.666 271.606 4.5792 267.481 4.6462 4.124878       6.523523  
1 1 1 4   -5  14 o 211.720 2.6248 2215.00  54.851  2270.73  77.633  2159.45  77.510  214.239 3.6713 208.911 3.7589 5.327835       5.254285  
1 1 1 4   -5  15 f 256.011 3.4106 3241.97  86.183  3291.16  122.055 3193.04  121.710 257.660 4.7993 253.776 4.8589 3.884033       6.829515  
1 1 1 4   -5  16 o 101.207 1.4049 505.723  14.034  529.745  20.183  483.237  19.528  103.561 1.9745 98.909  2.0002 4.651482       2.810635  
1 1 1 4   -5  17 o 48.248  1.1883 114.926  5.6589  98.815   8.5875  127.291  7.5234  44.724  1.9453 50.771  1.5013 -6.047173      2.457273  
1 1 1 4   -5  18 o 155.006 2.0138 1187.44  30.811  1172.76  43.780  1201.84  43.369  153.932 2.8815 155.839 2.8195 -1.906387      4.031425  
1 1 1 4   -5  19 f 71.063  1.4526 249.460  10.189  264.485  12.771  223.157  16.898  73.155  1.7687 67.146  2.5496 6.009209       3.103051  
1 1 1 4   -5  20 o 42.966  1.2996 91.187   5.5116  90.434   8.5223  91.728   7.2263  42.761  2.0192 43.080  1.6995 -0.3182220     2.639159  
1 1 1 4   -5  21 o 137.500 1.8216 934.878  24.722  1012.14  35.442  861.664  34.502  142.943 2.5120 131.863 2.6509 11.08044       3.652047  
1 1 1 4   -4  0  o 150.629 2.0891 1120.30  31.061  1162.56  43.934  1078.06  43.919  153.410 2.9014 147.724 3.0121 5.686203       4.182221  
1 1 1 4   -4  1  o 170.643 2.6911 1438.17  45.327  1396.23  64.099  1480.12  64.104  168.068 3.8640 173.051 3.7530 -4.982788      5.386587  
1 1 1 4   -4  2  o 62.442  1.2249 192.451  7.5494  181.577  10.677  203.323  10.676  60.647  1.7836 64.177  1.6853 -3.530056      2.453918  
1 1 1 4   -4  3  o 70.590  0.9154 245.932  6.3783  235.649  8.9711  256.444  9.0704  69.096  1.3154 72.080  1.2749 -2.984612      1.831840  
1 1 1 4   -4  4  f 675.376 7.9337 22605.41 528.875 23146.82 776.997 22138.03 721.921 681.827 11.545 667.092 10.964 14.73492       15.92195  
1 1 1 4   -4  5  o 452.252 6.6221 10120.17 295.604 10021.33 328.797 10536.89 675.119 449.893 7.4043 459.068 14.899 -9.174683      16.63784  
1 1 1 4   -4  6  o 59.298  0.8967 173.539  5.2481  177.495  6.8865  168.058  8.1054  59.969  1.1634 58.352  1.4073 1.617050       1.825948  
1 1 1 4   -4  7  f 249.347 3.2846 3070.35  80.839  3008.69  114.282 3132.10  114.365 246.748 4.6923 251.764 4.6022 -5.015961      6.572551  
1 1 1 4   -4  8  o 391.991 4.7274 7595.12  182.908 7733.63  269.609 7477.00  248.963 395.198 6.9117 388.663 6.4898 6.535645       9.480975  
1 1 1 4   -4  9  o 343.461 4.0486 5829.02  137.253 5855.19  194.100 5802.84  194.109 344.020 5.7162 342.475 5.7423 1.545013       8.102380  
1 1 1 4   -4  10 o 150.144 1.8871 1112.94  27.966  1124.99  39.538  1100.88  39.563  150.929 2.6540 149.302 2.6847 1.627563       3.775082  
1 1 1 4   -4  11 o 181.443 2.2493 1625.76  40.284  1615.88  56.958  1635.65  56.983  180.834 3.1911 181.939 3.1731 -1.104370      4.500171  
1 1 1 4   -4  12 o 191.660 2.5498 1814.61  48.235  1792.51  68.187  1836.76  68.243  190.395 3.6284 192.734 3.5873 -2.339600      5.102325  
1 1 1 4   -4  13 o 174.747 2.2103 1508.24  38.123  1479.08  53.892  1537.46  53.938  172.976 3.1565 176.362 3.0985 -3.386063      4.423146  
1 1 1 4   -4  14 o 119.346 1.5847 703.253  18.668  672.600  26.438  733.735  26.364  116.688 2.2954 121.881 2.1915 -5.192787      3.173574  
1 1 1 4   -4  15 o 90.076  1.2787 400.547  11.369  387.467  16.227  413.156  15.933  88.578  1.8560 91.470  1.7648 -2.892021      2.561122  
1 1 1 4   -4  16 o 280.800 3.7343 3902.22  103.500 4046.27  146.601 3759.08  146.143 285.562 5.2012 275.189 5.3804 10.37253       7.483381  
1 1 1 4   -4  17 o 103.574 1.4680 529.690  15.007  516.950  21.133  542.651  21.315  102.295 2.0930 104.808 2.0604 -2.513626      2.937013  
1 1 1 4   -4  18 o 100.164 1.4404 495.435  14.240  491.096  20.376  499.577  19.909  99.692  2.0707 100.553 2.0060 -0.8609924     2.883022  
1 1 1 4   -4  19 o 109.842 1.5526 595.992  16.833  614.415  24.128  578.524  23.494  111.476 2.1928 108.171 2.2005 3.305595       3.106561  
1 1 1 4   -4  20 o 64.573  7.4278 213.810  46.479  223.154  80.426  209.125  56.953  63.625  13.238 63.150  9.4256 0.4747009      16.25052  
1 1 1 4   -4  21 o 84.761  6.4953 364.595  53.928  367.118  76.380  362.087  76.151  83.831  9.3923 83.226  9.4370 0.6048965      13.31431  
1 1 1 4   -4  22 o 104.236 6.4129 552.091  65.659  569.623  92.989  534.658  92.724  104.385 9.1168 100.923 9.4171 3.462471       13.10712  
1 1 1 4   -3  0  o 108.502 1.8846 581.261  20.183  611.979  28.544  550.545  28.543  111.310 2.5980 105.571 2.7392 5.739601       3.775277  
1 1 1 4   -3  1  o 119.861 1.5568 709.235  18.418  752.082  26.153  667.081  25.941  123.412 2.1470 116.226 2.2613 7.186691       3.118179  
1 1 1 4   -3  2  o 141.847 2.1510 993.531  30.116  975.175  45.965  1007.34  39.865  140.478 3.3150 142.801 2.8283 -2.322922      4.357564  
1 1 1 4   -3  3  o 82.328  1.0525 334.543  8.5531  323.641  12.037  345.660  12.156  80.971  1.5061 83.680  1.4717 -2.709518      2.105774  
1 1 1 4   -3  4  o 439.573 5.4643 9560.72  237.084 9496.73  335.312 9624.70  335.262 437.523 7.7645 440.477 7.7113 -2.953644      10.94313  
1 1 1 4   -3  5  o 242.774 3.3595 2910.99  80.502  2916.96  120.546 2906.19  108.153 242.907 5.0278 242.499 4.5185 0.4088440      6.759857  
1 1 1 4   -3  6  o 294.531 3.4755 4284.22  101.037 4405.21  142.921 4163.34  142.854 298.561 4.8499 290.237 4.9866 8.323303       6.956119  
1 1 1 4   -3  7  o 175.438 2.1732 1519.37  37.631  1564.82  53.255  1474.04  53.183  178.020 3.0308 172.777 3.1185 5.243286       4.348702  
1 1 1 4   -3  8  o 216.203 2.8547 2308.00  60.919  2301.32  86.131  2314.70  86.174  215.838 4.0430 216.465 4.0333 -0.6271362     5.710776  
1 1 1 4   -3  9  o 310.345 3.6723 4757.44  112.491 4880.22  159.131 4634.79  159.041 314.193 5.1313 306.177 5.2626 8.015869       7.350163  
1 1 1 4   -3  10 o 297.364 3.6781 4368.62  107.957 4319.47  159.466 4410.21  146.682 295.496 5.4674 298.644 4.9761 -3.147919      7.392871  
1 1 1 4   -3  11 o 171.453 2.1555 1451.45  36.478  1405.83  51.503  1497.37  51.673  168.695 3.0931 174.105 3.0069 -5.410767      4.313829  
1 1 1 4   -3  12 f 317.293 3.7686 4977.66  118.026 4846.91  166.881 5108.51  166.948 312.793 5.4053 321.154 5.2666 -8.360809      7.546811  
1 1 1 4   -3  13 o 469.075 5.4435 10908.53 252.030 10897.70 356.440 10919.35 356.408 467.768 7.7201 468.238 7.7117 -0.4690857     10.91189  
1 1 1 4   -3  14 o 290.241 3.4786 4165.85  99.655  4142.59  141.013 4189.06  140.852 289.132 4.9412 290.757 4.9080 -1.625214      6.964430  
1 1 1 4   -3  15 o 224.956 2.7609 2500.84  61.303  2490.84  86.770  2510.82  86.621  224.352 3.9184 225.253 3.8960 -0.9015961     5.525630  
1 1 1 4   -3  16 o 181.374 3.1372 1626.52  56.163  1549.63  171.988 1635.70  59.421  175.292 9.9817 181.866 3.3102 -6.574570      10.51627  
1 1 1 4   -3  17 f 14.994  2.7895 11.472   3.9764  12.162   5.4877  10.708   5.7697  15.370  3.6683 14.474  3.9352 0.8964634      5.379770  
1 1 1 4   -3  18 o 82.905  1.4541 339.386  11.899  338.905  14.821  340.257  19.958  82.834  1.8127 82.972  2.4370 -0.1376801     3.037236  
1 1 1 4   -3  19 o 198.366 7.1235 1973.72  139.475 2022.55  197.438 1925.08  197.057 198.973 10.086 193.946 10.331 5.026627       14.43819  
1 1 1 4   -3  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -3  21 o 60.060  6.4294 183.736  37.523  182.875  53.294  184.583  52.839  58.883  9.4924 59.216  9.3508 -0.3328781     13.32459  
1 1 1 4   -3  22 o 104.330 1.5786 537.949  16.256  553.020  23.571  524.281  22.448  105.703 2.2592 102.926 2.2096 2.776733       3.160152  
1 1 1 4   -2  0  o 76.731  1.3991 290.637  10.596  294.103  14.985  287.172  14.985  77.179  1.9672 76.263  1.9907 0.9153519      2.798704  
1 1 1 4   -2  1  o 251.327 3.7064 3122.41  91.944  3129.11  130.028 3115.71  130.030 251.392 5.2403 250.851 5.2516 0.5409241      7.418901  
1 1 1 4   -2  2  o 180.500 2.4139 1609.02  43.006  1560.54  60.772  1657.65  60.866  177.693 3.4650 183.146 3.3670 -5.452515      4.831447  
1 1 1 4   -2  3  o 162.963 2.4055 1311.55  38.692  1334.29  54.763  1288.88  54.674  164.314 3.3766 161.490 3.4301 2.823853       4.813217  
1 1 1 4   -2  4  o 177.841 2.5492 1561.97  44.747  1555.12  67.500  1567.34  59.767  177.370 3.8556 178.098 3.3999 -0.7275543     5.140502  
1 1 1 4   -2  5  o 159.801 2.0713 1260.74  32.671  1264.88  44.000  1255.66  48.776  160.039 2.7854 159.442 3.0994 0.5967712      4.167095  
1 1 1 4   -2  6  o 480.284 6.9934 11421.01 331.529 11674.33 749.344 11359.35 369.678 482.424 15.737 478.791 7.8225 3.632660       17.57388  
1 1 1 4   -2  7  o 648.630 7.5922 20831.88 486.067 21583.77 663.482 19960.86 714.113 659.362 10.195 633.612 11.419 25.75024       15.30731  
1 1 1 4   -2  8  o 260.987 3.1437 3363.42  80.984  3390.86  114.543 3335.99  114.515 261.978 4.4297 259.848 4.4649 2.130432       6.289433  
1 1 1 4   -2  9  o 77.867  1.0783 299.253  8.2875  306.329  11.772  292.299  11.670  78.779  1.5139 76.954  1.5364 1.825294       2.156890  
1 1 1 4   -2  10 o 143.515 1.8287 1016.71  25.904  1011.65  36.654  1021.76  36.613  143.141 2.5943 143.855 2.5785 -0.7142029     3.657797  
1 1 1 4   -2  11 o 257.319 3.1098 3270.43  78.985  3247.06  111.708 3293.79  111.695 256.291 4.4159 258.131 4.3839 -1.840668      6.222423  
1 1 1 4   -2  12 o 217.430 2.6697 2335.00  57.294  2333.63  81.108  2336.36  80.945  217.280 3.7819 217.408 3.7721 -0.1281891     5.341475  
1 1 1 4   -2  13 o 208.350 2.7740 2144.63  57.046  2146.32  80.817  2142.96  80.535  208.320 3.9304 208.158 3.9197 0.1621094      5.550902  
1 1 1 4   -2  14 o 208.299 2.5857 2143.61  53.162  2150.00  75.293  2137.26  75.073  208.497 3.6587 207.879 3.6588 0.6186371      5.174235  
1 1 1 4   -2  15 o 28.761  1.2594 40.835   3.5752  44.049   5.3703  38.277   4.7913  29.811  1.8340 27.787  1.7560 2.024019       2.539137  
1 1 1 4   -2  16 o 200.645 2.4749 1989.03  49.014  1977.41  69.409  2000.59  69.223  199.945 3.5170 201.117 3.4871 -1.172455      4.952719  
1 1 1 4   -2  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -2  18 o 26.578  7.1918 36.436   19.325  46.802   27.725  26.639   26.952  30.224  8.7753 24.733  8.7886 5.490828       12.41955  
1 1 1 4   -2  19 o 42.422  6.9399 92.242   28.054  79.229   39.915  104.945  39.437  38.812  10.263 44.810  9.2239 -5.997654      13.79852  
1 1 1 4   -2  20 o 118.894 1.6754 698.337  19.661  731.662  28.076  666.268  27.542  121.638 2.3384 116.068 2.4041 5.569649       3.353765  
1 1 1 4   -2  21 o 117.403 1.6792 681.151  19.459  738.457  28.548  631.421  26.594  122.161 2.3676 112.959 2.3852 9.202034       3.360786  
1 1 1 4   -2  22 o 126.641 1.7581 792.824  21.976  838.698  32.001  751.885  30.231  130.145 2.4912 123.226 2.4855 6.918655       3.519070  
1 1 1 4   -2  23 o 37.024  1.9332 67.991   7.0403  64.956   10.551  70.427   9.4523  36.056  2.9917 37.613  2.5613 -1.556446      3.938349  
1 1 1 4   -1  0  o 174.945 6.6579 1517.96  114.967 1585.92  162.619 1450.06  162.558 178.169 9.2792 170.245 9.7141 7.923981       13.43381  
1 1 1 4   -1  1  o 156.271 6.4749 1210.72  99.872  1237.50  141.248 1183.94  141.233 157.377 9.1323 153.879 9.3430 3.498367       13.06480  
1 1 1 4   -1  2  o 230.844 7.3355 2645.66  167.140 2635.17  236.373 2656.15  236.369 229.689 10.426 230.613 10.384 -0.9234161     14.71518  
1 1 1 4   -1  3  o 239.736 7.4523 2854.91  176.342 2899.77  249.394 2810.05  249.376 240.848 10.491 237.044 10.658 3.803787       14.95526  
1 1 1 4   -1  4  f 243.419 4.5165 2931.40  108.514 2763.07  153.294 3100.48  153.632 236.002 6.5807 250.065 6.2244 -14.06276      9.058083  
1 1 1 4   -1  5  o 85.109  1.5116 357.570  12.698  334.444  17.957  380.700  17.959  82.299  2.2106 87.809  2.0720 -5.509842      3.029858  
1 1 1 4   -1  6  o 170.294 2.1355 1431.74  35.896  1419.14  50.758  1444.35  50.770  169.511 3.0337 171.011 3.0078 -1.500168      4.272033  
1 1 1 4   -1  7  o 712.093 10.007 25182.75 703.387 24955.60 1519.86 25244.66 793.475 700.540 21.980 712.363 11.285 -11.82220      24.70813  
1 1 1 4   -1  8  o 441.455 5.2903 9632.84  230.517 9505.41  339.404 9741.95  314.068 438.114 7.8487 443.658 7.1720 -5.543243      10.63201  
1 1 1 4   -1  9  o 170.418 2.2541 1433.70  37.915  1463.26  56.425  1409.37  51.197  172.137 3.3210 168.945 3.0702 3.192123       4.522695  
1 1 1 4   -1  10 o 431.038 5.3593 9187.31  228.010 9190.51  300.735 9182.98  349.682 430.799 7.0725 430.362 8.2320 0.4373169      10.85297  
1 1 1 4   -1  11 o 246.630 2.9797 3003.84  72.536  2972.42  102.568 3035.27  102.595 245.256 4.2370 247.839 4.1940 -2.582886      5.961669  
1 1 1 4   -1  12 o 122.384 1.8623 739.424  22.496  775.015  38.499  720.971  27.721  125.257 3.1139 120.836 2.3242 4.421402       3.885675  
1 1 1 4   -1  13 o 254.300 3.0792 3195.23  77.289  3219.56  109.375 3170.96  109.231 255.118 4.3435 253.182 4.3710 1.936508       6.162138  
1 1 1 4   -1  14 o 47.582  0.9774 111.749  4.5904  113.944  6.4795  109.537  6.5041  48.043  1.3664 47.105  1.3989 0.9385147      1.955495  
1 1 1 4   -1  15 o 246.103 2.9944 2993.54  72.737  2899.49  102.840 3087.69  102.891 242.013 4.3052 249.767 4.1736 -7.754074      5.996097  
1 1 1 4   -1  16 o 41.833  1.3243 86.391   5.4681  101.792  7.8948  72.190   7.5809  45.403  1.7617 38.179  2.0189 7.224003       2.679414  
1 1 1 4   -1  17 o 129.054 6.3965 828.288  81.480  804.208  115.168 852.420  115.292 126.302 9.3037 130.130 9.0320 -3.827408      12.96676  
1 1 1 4   -1  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   -1  19 o 138.277 1.8519 944.430  25.276  928.715  35.949  959.794  35.546  137.061 2.6573 139.342 2.5845 -2.281036      3.706864  
1 1 1 4   -1  20 o 203.525 2.5318 2048.45  50.861  2106.49  72.268  1991.49  71.594  206.185 3.5510 200.463 3.6183 5.722687       5.069720  
1 1 1 4   -1  21 o 33.732  1.9686 56.438   6.5260  52.846   10.273  58.869   8.4500  32.491  3.2469 34.401  2.5058 -1.910545      4.101374  
1 1 1 4   -1  22 o 17.228  3.5393 15.279   5.8172  11.287   9.1920  17.946   7.5132  15.439  5.1471 18.622  4.1891 -3.182721      6.636303  
1 1 1 4   -1  23 o 38.437  1.9128 73.065   7.2568  93.919   11.283  58.352   9.4771  43.457  2.6429 34.190  2.8338 9.266438       3.875008  
1 1 1 4   0   0  o 125.329 6.1924 778.412  76.603  786.507  108.330 770.316  108.335 125.414 8.8071 124.092 8.9041 1.322479       12.52385  
1 1 1 4   0   1  o 91.813  5.9971 419.335  54.049  429.024  76.433  409.645  76.440  92.515  8.4640 90.348  8.6785 2.167412       12.12253  
1 1 1 4   0   2  o 165.694 6.5620 1361.00  107.318 1330.85  151.770 1391.15  151.773 163.189 9.4630 166.903 9.2490 -3.713852      13.23224  
1 1 1 4   0   3  o 96.231  6.0354 460.604  57.036  458.522  80.666  462.685  80.655  95.622  8.6400 96.067  8.5969 -0.4445724     12.18843  
1 1 1 4   0   4  o 140.650 6.3385 980.893  87.996  959.355  124.439 1002.43  124.450 138.451 9.1577 141.582 8.9515 -3.130859      12.80601  
1 1 1 4   0   5  o 227.819 3.5896 2565.36  80.719  2632.74  123.032 2514.44  106.956 230.568 5.4061 225.410 4.8073 5.157837       7.234369  
1 1 1 4   0   6  o 117.869 1.5251 685.807  17.743  712.914  25.125  658.844  25.059  120.163 2.1184 115.514 2.1978 4.648628       3.052534  
1 1 1 4   0   7  o 96.585  1.1987 460.431  11.428  478.155  16.202  442.884  16.121  98.421  1.6678 94.721  1.7242 3.700195       2.398896  
1 1 1 4   0   8  f 211.317 7.1397 2210.44  148.918 2218.57  211.625 2202.46  209.595 211.383 10.143 210.621 10.082 0.7616119      14.30122  
1 1 1 4   0   9  o 778.594 9.0245 30052.51 693.533 29999.37 947.131 30113.94 1018.34 776.379 12.360 777.361 13.272 -0.9816895     18.13577  
1 1 1 4   0   10 o 199.359 2.6319 1962.24  51.789  1957.51  73.265  1966.97  73.216  199.078 3.7286 199.559 3.7171 -0.4807587     5.264862  
1 1 1 4   0   11 o 210.347 2.5965 2184.58  53.910  2136.52  76.224  2232.68  76.255  207.972 3.7132 212.605 3.6338 -4.632446      5.195454  
1 1 1 4   0   12 o 250.862 3.0509 3108.17  75.544  3130.45  106.905 3085.94  106.767 251.664 4.3037 249.866 4.3291 1.797958       6.104313  
1 1 1 4   0   13 o 165.988 2.1095 1360.40  34.561  1380.15  48.900  1340.68  48.853  167.149 2.9640 164.740 3.0044 2.409668       4.220373  
1 1 1 4   0   14 o 121.029 1.6238 723.167  19.398  701.573  27.485  744.601  27.382  119.185 2.3363 122.788 2.2593 -3.603523      3.250051  
1 1 1 4   0   15 o 32.096  1.7631 51.020   5.5642  65.659   7.8501  36.240   7.8879  36.395  2.1955 26.910  3.0220 9.484772       3.735313  
1 1 1 4   0   16 f 222.172 7.4034 2459.16  162.351 2432.87  229.560 2485.47  229.638 219.908 10.576 222.317 10.465 -2.408997      14.87841  
1 1 1 4   0   17 o 230.331 7.4331 2644.77  168.988 2605.45  238.948 2684.12  239.021 227.415 10.645 230.892 10.488 -3.477020      14.94380  
1 1 1 4   0   18 o 48.010  1.4682 113.801  6.9575  101.645  9.8504  125.904  9.8286  45.361  2.2001 50.489  1.9722 -5.128548      2.954663  
1 1 1 4   0   19 o 83.678  1.3817 345.710  11.412  294.454  15.981  399.044  16.302  77.204  2.0971 89.886  1.8374 -12.68193      2.788172  
1 1 1 4   0   20 o 171.105 2.2350 1446.89  37.745  1451.62  52.831  1441.97  53.947  171.269 3.1252 170.687 3.2021 0.5820923      4.474382  
1 1 1 4   0   21 o 78.047  1.4186 300.846  10.928  351.525  16.291  259.387  14.735  84.337  1.9571 72.440  2.0609 11.89664       2.842063  
1 1 1 4   0   22 o 160.015 2.2810 1266.86  36.027  1275.35  51.625  1258.79  50.300  160.339 3.2620 159.310 3.1988 1.028976       4.568725  
1 1 1 4   0   23 o 43.197  1.7144 92.238   7.3097  87.148   12.257  95.048   9.1064  41.813  2.9895 43.832  2.1049 -2.018246      3.656152  
1 1 1 4   0   24 o 62.403  1.5444 192.477  9.5125  191.988  13.723  192.930  13.198  62.271  2.2326 62.432  2.1418 -0.1605721     3.093837  
1 1 1 4   1   0  o 99.396  1.2971 487.661  12.726  532.978  19.336  453.032  16.902  103.901 1.8854 95.794  1.7876 8.107086       2.598135  
1 1 1 4   1   1  o 189.731 6.8083 1785.01  127.499 1864.18  180.321 1705.84  180.301 193.471 9.4427 184.727 9.9250 8.744217       13.69928  
1 1 1 4   1   2  o 171.505 6.6164 1457.92  112.003 1427.61  158.393 1488.24  158.400 169.060 9.5309 172.667 9.3289 -3.606079      13.33664  
1 1 1 4   1   3  o 83.661  5.9616 348.437  48.907  341.437  69.165  355.436  69.164  82.419  8.6301 84.141  8.4418 -1.722374      12.07244  
1 1 1 4   1   4  o 66.153  5.8851 218.503  38.026  232.505  53.805  204.531  53.749  67.904  8.1933 63.513  8.8112 4.391003       12.03193  
1 1 1 4   1   5  o 164.907 2.7329 1343.30  44.483  1299.47  62.822  1387.36  62.995  162.118 3.9260 167.520 3.8099 -5.402237      5.470697  
1 1 1 4   1   6  o 182.051 2.6759 1636.96  48.084  1658.28  68.058  1615.70  67.945  183.161 3.7645 180.791 3.8076 2.370224       5.354380  
1 1 1 4   1   7  o 86.103  1.1153 365.920  9.4788  374.767  13.438  357.159  13.372  87.133  1.5625 85.061  1.5927 2.071960       2.231188  
1 1 1 4   1   8  o 243.704 2.9622 2932.76  71.253  2889.97  100.763 2975.55  100.772 241.850 4.2211 245.409 4.1602 -3.559082      5.926634  
1 1 1 4   1   9  o 354.032 6.5220 6200.59  227.906 6119.62  264.344 6435.08  449.832 351.559 7.6180 359.467 12.678 -7.907593      14.79090  
1 1 1 4   1   10 o 287.886 3.4501 4092.97  98.035  4172.41  138.688 4013.64  138.597 290.571 4.8356 284.982 4.9272 5.589325       6.903693  
1 1 1 4   1   11 o 29.592  1.3545 43.223   3.9562  63.973   5.9897  27.164   5.2692  36.000  1.6856 23.342  2.3177 12.65834       2.865842  
1 1 1 4   1   12 o 96.702  1.3223 461.560  12.621  414.359  17.675  510.657  18.027  91.617  1.9546 101.710 1.7956 -10.09261      2.654189  
1 1 1 4   1   13 o 263.949 3.5884 3442.59  93.489  3332.81  117.684 3630.38  153.919 259.604 4.5928 270.787 5.7588 -11.18378      7.365931  
1 1 1 4   1   14 o 187.015 2.2904 1727.20  42.279  1819.96  59.812  1634.57  59.771  191.914 3.1575 181.864 3.3298 10.04996       4.588835  
1 1 1 4   1   15 o 190.979 5.1479 1807.31  97.040  0.0000   0.0000  1807.31  97.040  ?       ?      190.979 5.1479 0.000000       5.147928  
1 1 1 4   1   16 o 315.892 8.6152 4987.13  268.620 4867.30  379.800 5107.06  379.973 309.994 12.413 317.730 12.116 -7.735840      17.34574  
1 1 1 4   1   17 o 163.965 2.7847 1328.67  45.067  1415.32  64.202  1244.49  63.277  169.119 3.8461 158.562 4.0431 10.55705       5.580245  
1 1 1 4   1   18 o 175.353 2.2422 1518.97  38.809  1578.88  55.160  1460.26  54.612  178.695 3.1274 171.841 3.2198 6.853424       4.488564  
1 1 1 4   1   19 o 88.308  1.9914 385.190  17.358  0.0000   0.0000  385.190  17.358  ?       ?      88.308  1.9914 0.000000       1.991427  
1 1 1 4   1   20 o 109.805 1.6462 595.453  17.842  586.406  25.325  604.367  25.141  108.928 2.3555 110.587 2.3032 -1.658989      3.294417  
1 1 1 4   1   21 o 92.234  1.5594 420.180  14.197  447.203  20.740  396.358  19.474  95.114  2.2092 89.545  2.2033 5.569786       3.120153  
1 1 1 4   1   22 o 148.710 2.0859 1093.52  30.618  1085.73  43.503  1101.17  43.100  148.030 2.9774 149.088 2.9289 -1.058365      4.176499  
1 1 1 4   1   23 o 129.536 1.8389 829.628  23.512  850.063  33.922  810.733  32.618  130.997 2.6236 127.938 2.5830 3.058983       3.681723  
1 1 1 4   1   24 o 98.539  1.6316 479.979  15.870  476.022  22.855  483.662  22.052  98.045  2.3617 98.843  2.2603 -0.7977829     3.269063  
1 1 1 4   2   0  o 282.327 3.6416 3939.74  101.479 3980.20  143.527 3899.29  143.498 283.562 5.1280 280.657 5.1801 2.905273       7.289048  
1 1 1 4   2   1  o 221.060 3.0048 2414.01  65.563  2437.78  98.549  2395.14  87.817  222.013 4.4972 220.108 4.0421 1.905029       6.046766  
1 1 1 4   2   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   2   3  o 193.998 6.8641 1866.44  131.435 1808.29  185.872 1924.61  185.883 190.194 9.9356 196.545 9.5818 -6.350540      13.80313  
1 1 1 4   2   4  o 317.221 8.5370 5005.82  267.302 4965.82  378.018 5045.82  378.027 314.670 12.171 317.235 12.073 -2.565002      17.14304  
1 1 1 4   2   5  o 299.425 3.5724 4431.34  105.581 4431.97  149.311 4430.71  149.317 299.219 5.0556 299.177 5.0565 0.4263306E-01  7.150299  
1 1 1 4   2   6  o 237.106 3.0094 2777.50  70.431  2721.53  104.438 2824.19  95.384  234.547 4.5112 238.987 4.0436 -4.439270      6.058217  
1 1 1 4   2   7  o 263.374 3.4824 3427.39  90.527  3403.27  128.052 3451.48  127.998 262.288 4.9462 264.143 4.9094 -1.855682      6.969037  
1 1 1 4   2   8  o 48.872  0.8237 117.881  3.9735  104.577  5.5381  131.995  5.7044  46.030  1.2189 51.714  1.1175 -5.683815      1.653699  
1 1 1 4   2   9  o 373.758 4.5337 6902.56  167.253 6875.12  227.569 6934.79  246.642 372.820 6.1842 374.366 6.6748 -1.545197      9.099271  
1 1 1 4   2   10 o 67.574  1.5161 225.383  10.112  222.265  10.265  327.768  58.817  67.105  1.5498 81.031  7.4369 -13.92576      7.596657  
1 1 1 4   2   11 o 450.393 5.9521 10032.73 264.604 9913.96  374.204 10151.51 374.210 447.227 8.4771 452.576 8.3770 -5.349304      11.91788  
1 1 1 4   2   12 f 93.676  1.3286 433.127  12.284  402.796  17.292  464.029  17.454  90.331  1.9395 96.955  1.8239 -6.624634      2.662322  
1 1 1 4   2   13 o 152.867 1.9521 1153.65  29.455  1162.73  41.673  1144.59  41.638  153.442 2.7516 152.240 2.7710 1.201981       3.905028  
1 1 1 4   2   14 o 189.750 2.7099 1778.41  50.754  1722.79  84.595  1809.69  63.440  186.611 4.5927 191.368 3.3586 -4.756912      5.689775  
1 1 1 4   2   15 o 124.087 7.3176 768.396  89.228  788.431  154.561 758.381  109.277 124.325 12.777 122.909 9.0718 1.416100       15.67010  
1 1 1 4   2   16 o 172.068 6.7443 1472.35  114.544 1409.74  161.946 1535.03  162.033 167.378 9.8459 174.819 9.4252 -7.441620      13.62995  
1 1 1 4   2   17 o 97.107  1.4507 465.556  13.904  473.357  19.959  458.199  19.381  97.898  2.0655 96.319  2.0386 1.579193       2.902124  
1 1 1 4   2   18 o 78.475  1.3151 304.026  10.186  303.559  14.459  304.487  14.353  78.402  1.8684 78.522  1.8519 -0.1202087     2.630664  
1 1 1 4   2   19 o 125.253 1.8070 774.779  22.340  763.108  31.797  786.157  31.394  124.261 2.5925 126.129 2.5218 -1.867447      3.616666  
1 1 1 4   2   20 o 85.658  6.1921 367.296  52.000  383.267  73.158  350.988  73.926  86.943  8.6395 83.022  9.1746 3.920921       12.60214  
1 1 1 4   2   21 o 157.691 2.1044 1228.86  32.754  1287.60  46.897  1172.91  45.767  161.312 2.9454 153.951 3.0118 7.361115       4.212650  
1 1 1 4   2   22 o 79.547  1.4881 312.564  11.684  352.308  17.613  281.331  15.614  84.414  2.1140 75.435  2.0970 8.979782       2.977640  
1 1 1 4   2   23 o 23.715  2.9639 28.312   6.7865  38.406   11.199  22.455   8.5313  27.450  4.2723 20.857  4.2875 6.593515       6.052697  
1 1 1 4   2   24 o 153.107 2.4222 1160.88  36.605  1141.60  45.549  1196.03  61.510  151.680 3.0424 154.941 4.0220 -3.261276      5.043108  
1 1 1 4   3   0  o 123.535 1.4904 753.347  18.173  757.183  25.710  749.517  25.692  123.832 2.1035 123.204 2.1127 0.6287460      2.981297  
1 1 1 4   3   1  o 119.014 1.5090 699.219  17.727  725.122  25.092  673.411  25.047  121.184 2.0978 116.781 2.1729 4.403091       3.020321  
1 1 1 4   3   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   3   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   3   4  o 33.184  5.9999 56.234   18.929  55.056   26.765  57.412   26.774  32.651  8.2899 33.327  8.1961 -0.6762772     11.65760  
1 1 1 4   3   5  o 87.512  1.0906 378.011  9.4201  387.794  13.383  368.405  13.262  88.632  1.5298 86.387  1.5553 2.244514       2.181584  
1 1 1 4   3   6  o 227.496 2.8713 2556.73  64.474  2605.62  87.302  2498.07  95.626  229.570 3.8528 224.731 4.3110 4.838516       5.781776  
1 1 1 4   3   7  o 78.941  1.3184 307.603  10.273  301.504  13.389  316.332  16.018  78.150  1.7357 80.044  2.0274 -1.894112      2.668921  
1 1 1 4   3   8  o 136.283 1.7837 916.830  23.994  918.763  33.893  914.887  33.972  136.410 2.5173 136.122 2.5285 0.2883301      3.567886  
1 1 1 4   3   9  o 327.100 3.8625 5285.21  124.705 5168.92  176.333 5401.57  176.386 323.327 5.5253 330.536 5.4064 -7.209595      7.730389  
1 1 1 4   3   10 o 159.880 2.0711 1261.83  32.683  1281.57  46.160  1241.98  46.283  161.107 2.9028 158.598 2.9566 2.509796       4.143363  
1 1 1 4   3   11 o 77.769  1.1752 298.504  9.0210  293.870  13.346  302.403  12.241  77.159  1.7524 78.272  1.5844 -1.113419      2.362456  
1 1 1 4   3   12 o 60.570  0.9965 181.072  5.9573  158.323  8.3798  204.316  8.4708  56.635  1.4990 64.339  1.3339 -7.703533      2.006566  
1 1 1 4   3   13 o 275.967 3.4007 3762.05  92.631  3571.69  128.050 3971.03  134.165 268.767 4.8269 283.397 4.7963 -14.63046      6.804710  
1 1 1 4   3   14 o 184.108 6.8902 1681.35  125.209 1646.67  176.007 1716.88  178.158 181.458 9.8641 185.318 9.7745 -3.860565      13.88669  
1 1 1 4   3   15 o 151.096 6.5268 1133.32  97.339  1171.27  137.695 1095.42  137.621 152.907 9.1657 147.776 9.4852 5.130585       13.19011  
1 1 1 4   3   16 o 332.644 4.4222 5478.45  145.195 5415.04  205.367 5541.83  205.308 330.168 6.3018 334.037 6.2270 -3.868866      8.859320  
1 1 1 4   3   17 o 243.587 2.9930 2932.99  71.961  2902.79  101.779 2963.18  101.756 242.130 4.2587 244.644 4.2140 -2.513916      5.991165  
1 1 1 4   3   18 o 106.811 1.5224 563.285  16.050  510.691  22.564  617.144  22.834  101.676 2.2484 111.780 2.0696 -10.10415      3.055891  
1 1 1 4   3   19 o 93.633  1.4625 432.862  13.516  436.360  19.314  429.505  18.921  93.989  2.0819 93.249  2.0558 0.7400589      2.925804  
1 1 1 4   3   20 o 65.474  1.5155 211.679  9.7942  251.536  15.034  182.290  12.910  71.354  2.1346 60.743  2.1532 10.61101       3.031971  
1 1 1 4   3   21 o 131.946 2.6148 860.866  34.054  858.854  35.406  885.711  124.413 131.781 2.7220 131.931 9.6203 -0.1491852     9.997998  
1 1 1 4   3   22 o 104.440 1.6488 538.862  16.997  546.077  24.265  531.911  23.816  105.083 2.3394 103.712 2.3266 1.370811       3.299352  
1 1 1 4   3   23 o 16.996  5.3524 14.292   10.022  9.1750   12.051  25.768   18.047  15.550  5.8211 22.697  7.1863 -7.146247      9.248123  
1 1 1 4   3   24 o 157.578 6.8807 1259.30  107.020 1300.97  151.719 1218.03  150.982 157.755 9.7920 152.359 10.097 5.396408       14.06532  
1 1 1 4   3   25 o 56.875  1.8421 160.003  10.341  182.092  16.086  144.443  13.501  60.597  2.6894 53.985  2.5338 6.612259       3.695001  
1 1 1 4   4   0  o 66.254  0.8286 216.650  5.4185  221.553  7.6488  211.710  7.6772  66.997  1.1567 65.491  1.1876 1.505531       1.657815  
1 1 1 4   4   1  o 365.811 4.7393 6622.04  171.121 6498.50  237.446 6755.54  246.831 361.910 6.6471 368.960 6.7778 -7.049072      9.493259  
1 1 1 4   4   2  o 38.571  8.4962 76.916   31.472  76.916   31.472  0.0000   0.0000  38.571  8.4962 ?       ?      0.000000       8.496224  
1 1 1 4   4   3  o 80.370  5.9177 321.799  46.614  346.757  65.932  296.856  65.912  83.112  8.1416 76.708  8.8690 6.404182       12.03934  
1 1 1 4   4   4  o 185.994 3.0094 1709.11  55.248  1710.56  78.141  1707.65  78.124  185.973 4.2569 185.815 4.2596 0.1586761      6.022116  
1 1 1 4   4   5  o 203.339 2.4521 2042.04  49.215  2074.04  69.620  2010.07  69.579  204.853 3.4432 201.665 3.4956 3.188217       4.906576  
1 1 1 4   4   6  o 59.282  0.8303 173.456  4.8582  161.477  8.0909  180.210  6.0753  57.194  1.4332 60.424  1.0187 -3.230309      1.758352  
1 1 1 4   4   7  o 70.019  0.9774 241.982  6.7553  228.855  9.4591  255.646  9.6508  68.090  1.4074 71.966  1.3586 -3.875702      1.956214  
1 1 1 4   4   8  o 133.173 1.7108 875.461  22.488  815.108  31.709  936.537  31.899  128.484 2.5004 137.726 2.3465 -9.242264      3.428977  
1 1 1 4   4   9  o 322.986 3.8443 5153.24  122.556 5034.62  173.284 5271.96  173.357 319.090 5.5019 326.539 5.3786 -7.448761      7.694201  
1 1 1 4   4   10 o 99.214  1.3902 485.842  13.614  506.666  19.318  465.297  19.189  101.312 1.9319 97.087  2.0024 4.224876       2.782386  
1 1 1 4   4   11 o 91.376  2.1655 412.182  19.531  785.858  87.035  392.367  20.042  125.807 7.0372 89.151  2.2776 36.65623       7.396582  
1 1 1 4   4   12 o 48.567  1.5537 116.430  7.4482  142.366  10.732  92.328   10.345  53.702  2.0247 43.175  2.4376 10.52672       3.168779  
1 1 1 4   4   13 o 196.957 7.0747 1921.90  137.536 1894.64  193.383 1949.80  195.646 194.912 10.086 197.742 10.057 -2.830185      14.24366  
1 1 1 4   4   14 o 248.614 7.6526 3068.59  187.789 3047.35  265.538 3089.85  265.609 247.001 10.892 248.737 10.819 -1.736237      15.35151  
1 1 1 4   4   15 o 110.984 1.5730 608.091  17.231  606.979  24.789  609.129  23.969  110.863 2.2653 111.062 2.1865 -0.1987228     3.148434  
1 1 1 4   4   16 o 169.911 2.3060 1426.00  38.674  1362.74  54.755  1488.98  54.632  166.021 3.3414 173.555 3.1892 -7.533890      4.619045  
1 1 1 4   4   17 o 272.680 3.2950 3676.71  88.684  3740.97  125.542 3612.70  125.294 274.791 4.6286 270.022 4.7011 4.768463       6.597313  
1 1 1 4   4   18 o 130.805 1.8042 844.938  23.294  855.221  33.063  834.805  32.823  131.558 2.5462 129.977 2.5585 1.580551       3.609577  
1 1 1 4   4   19 o 258.276 3.1606 3298.85  80.572  3309.21  114.054 3288.53  113.839 258.416 4.4715 257.606 4.4771 0.8101196      6.327676  
1 1 1 4   4   20 o 115.763 1.7641 661.832  20.157  678.665  28.913  645.914  28.116  117.184 2.4997 114.322 2.4917 2.862030       3.529496  
1 1 1 4   4   21 o 69.573  1.4986 239.028  10.291  259.706  15.240  221.696  13.953  72.498  2.1298 66.983  2.1104 5.514366       2.998273  
1 1 1 4   4   22 o 50.671  1.9879 126.888  9.9422  128.711  12.421  123.636  16.586  51.015  2.4668 49.838  3.3920 1.177002       4.194086  
1 1 1 4   4   23 o 56.609  6.5651 163.354  36.002  158.207  51.285  168.355  50.551  54.654  9.8701 56.595  9.3777 -1.941593      13.61473  
1 1 1 4   4   24 o 113.006 1.7915 631.412  19.982  619.870  28.769  642.171  27.776  111.852 2.6058 113.869 2.4713 -2.016670      3.591344  
1 1 1 4   4   25 o 105.918 1.7996 554.824  18.814  542.576  27.626  565.419  25.694  104.610 2.6755 106.832 2.4366 -2.221512      3.618771  
1 1 1 4   5   0  o 70.178  1.1791 243.088  8.1672  0.0000   0.0000  243.088  8.1672  ?       ?      70.178  1.1791 0.000000       1.179061  
1 1 1 4   5   1  o 133.401 1.7209 878.538  22.659  895.873  32.078  861.273  32.013  134.689 2.4129 132.061 2.4559 2.628082       3.442910  
1 1 1 4   5   2  o 51.698  12.076 139.474  60.505  139.474  60.505  0.0000   0.0000  51.698  12.076 ?       ?      0.000000       12.07558  
1 1 1 4   5   3  o 193.822 9.8142 1880.59  187.143 1880.59  187.143 0.0000   0.0000  193.822 9.8142 ?       ?      0.000000       9.814249  
1 1 1 4   5   4  o 21.776  1.0025 23.404   2.1546  24.461   3.0394  22.337   3.0549  22.217  1.3931 21.221  1.4675 0.9955311      2.023387  
1 1 1 4   5   5  o 170.563 2.1371 1436.55  35.979  1429.25  49.570  1444.67  52.305  170.086 2.9527 170.992 3.0991 -0.9056854     4.280512  
1 1 1 4   5   6  o 311.793 3.6679 4805.21  112.879 4810.87  159.628 4799.55  159.643 311.733 5.1879 311.365 5.1945 0.3681641      7.341504  
1 1 1 4   5   7  o 52.758  1.0238 137.379  5.3315  118.958  7.5380  155.819  7.5419  49.090  1.5557 56.185  1.3600 -7.094761      2.066338  
1 1 1 4   5   8  o 270.336 3.2742 3609.69  87.365  3631.42  120.898 3585.94  126.390 271.048 4.5190 269.322 4.7545 1.725494       6.559470  
1 1 1 4   5   9  o 500.593 5.9566 12395.58 294.319 12332.14 401.105 12469.59 433.207 498.814 8.1468 501.421 8.7531 -2.606964      11.95769  
1 1 1 4   5   10 o 184.156 2.6568 1674.39  48.293  1648.56  60.334  1720.43  80.563  182.708 3.3456 186.603 4.3740 -3.895706      5.506832  
1 1 1 4   5   11 o 73.193  1.4736 264.424  10.646  257.213  12.818  280.459  19.114  72.186  1.7991 75.370  2.5694 -3.183739      3.136599  
1 1 1 4   5   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   5   13 o 133.186 6.4713 878.237  85.072  907.637  119.569 848.097  121.064 134.897 9.0324 130.306 9.4777 4.590775       13.09237  
1 1 1 4   5   14 o 159.140 2.4137 1250.59  37.913  1262.01  47.421  1230.34  63.121  159.840 3.0057 157.764 4.0535 2.076385       5.046310  
1 1 1 4   5   15 o 93.506  1.5486 431.638  14.292  413.567  18.978  455.315  21.724  91.516  2.1010 96.019  2.2922 -4.502846      3.109371  
1 1 1 4   5   16 o 137.427 1.8102 932.554  24.555  971.378  35.081  895.263  34.382  140.223 2.5346 134.615 2.5876 5.608719       3.622168  
1 1 1 4   5   17 f 149.484 2.0545 1103.64  30.314  1094.29  45.489  1111.12  40.657  148.777 3.0977 149.944 2.7471 -1.167450      4.140348  
1 1 1 4   5   18 o 173.291 2.2542 1483.49  38.556  1581.92  54.959  1388.10  54.105  178.867 3.1130 167.535 3.2719 11.33214       4.516168  
1 1 1 4   5   19 o 122.406 1.7636 739.928  21.308  767.453  30.783  714.609  29.524  124.621 2.5026 120.255 2.4873 4.366096       3.528407  
1 1 1 4   5   20 o 186.491 2.4258 1718.70  44.653  1786.10  63.686  1653.53  62.624  189.991 3.3961 182.794 3.4709 7.197250       4.855989  
1 1 1 4   5   21 o 52.092  2.0719 134.070  10.653  132.616  13.783  136.227  16.788  51.718  2.7096 52.365  3.2644 -0.6473541     4.242414  
1 1 1 4   5   22 o 230.206 7.4495 2663.57  169.269 2624.25  239.377 2702.89  239.390 226.323 10.716 229.816 10.553 -3.493103      15.03995  
1 1 1 4   5   23 o 52.072  1.6971 133.989  8.7228  156.205  13.052  116.056  11.726  56.191  2.3533 48.366  2.4645 7.824684       3.407584  
1 1 1 4   5   24 o 65.107  1.7342 209.559  11.145  197.128  17.007  218.914  14.754  63.066  2.7321 66.506  2.2475 -3.439304      3.537774  
1 1 1 4   5   25 o 27.320  2.9607 37.469   7.8560  39.183   12.766  36.425   9.9667  27.577  4.8679 26.767  3.8859 0.8101063      6.228744  
1 1 1 4   5   26 o 66.957  6.4676 230.211  42.212  223.602  60.029  236.676  59.369  64.457  9.7391 66.585  9.2861 -2.128128      13.45666  
1 1 1 4   6   0  o 229.659 3.0053 2604.61  68.125  2618.95  96.364  2590.28  96.322  230.219 4.2407 228.954 4.2623 1.265137       6.012551  
1 1 1 4   6   1  o 167.598 9.3358 1400.91  153.825 0.0000   0.0000  1400.91  153.825 ?       ?      167.598 9.3358 0.000000       9.335824  
1 1 1 4   6   2  o 89.084  8.5974 398.187  74.657  0.0000   0.0000  398.187  74.657  ?       ?      89.084  8.5974 0.000000       8.597378  
1 1 1 4   6   3  o 151.459 3.0109 1133.26  45.012  1033.40  78.557  1182.07  54.921  144.462 5.5093 154.653 3.5979 -10.19162      6.580096  
1 1 1 4   6   4  o 219.869 2.8841 2388.07  62.590  2296.86  88.466  2479.48  88.566  215.519 4.1587 223.939 4.0069 -8.420029      5.774931  
1 1 1 4   6   5  o 137.116 1.7914 928.192  24.245  894.011  34.233  962.588  34.341  134.542 2.5779 139.610 2.4921 -5.068237      3.585532  
1 1 1 4   6   6  o 89.973  1.3525 399.587  12.011  414.729  16.805  383.775  17.174  91.654  1.8576 88.165  1.9735 3.488838       2.710235  
1 1 1 4   6   7  o 72.668  1.0313 260.632  7.3970  256.625  10.474  264.619  10.447  72.103  1.4718 73.218  1.4456 -1.114708      2.063010  
1 1 1 4   6   8  o 271.503 3.3771 3641.00  90.502  3598.85  122.372 3691.90  134.458 269.830 4.5947 273.258 4.9852 -3.428314      6.779633  
1 1 1 4   6   9  o 231.133 3.1015 2638.12  70.757  2585.92  100.032 2690.40  100.100 228.761 4.4302 233.342 4.3462 -4.580856      6.206134  
1 1 1 4   6   10 o 465.544 5.5325 10715.93 254.221 10709.04 374.142 10721.84 346.494 464.891 8.1537 465.303 7.5444 -0.4121399     11.10859  
1 1 1 4   6   11 o 227.793 2.8254 2562.12  63.525  2590.01  89.824  2534.22  89.853  228.974 3.9744 226.492 4.0192 2.481918       5.652457  
1 1 1 4   6   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   6   13 f 330.463 8.7743 5421.52  286.201 5371.02  404.725 5472.03  404.773 327.924 12.504 331.029 12.388 -3.105652      17.60180  
1 1 1 4   6   14 o 184.342 2.3768 1678.01  43.247  1690.08  61.223  1665.99  61.099  184.953 3.3537 183.629 3.3710 1.323944       4.755059  
1 1 1 4   6   15 o 214.480 2.8078 2272.56  59.441  2281.27  80.513  2262.12  88.128  214.801 3.7975 213.857 4.1750 0.9448853      5.643719  
1 1 1 4   6   16 o 319.614 3.8277 5053.19  120.753 5032.86  170.738 5073.54  170.804 318.596 5.4295 319.886 5.4097 -1.290405      7.664430  
1 1 1 4   6   17 o 87.932  1.4414 381.737  12.510  377.329  17.465  386.382  17.929  87.407  2.0244 88.448  2.0537 -1.041412      2.883705  
1 1 1 4   6   18 o 180.689 2.4145 1613.12  43.062  1663.58  58.277  1552.43  63.911  183.411 3.2191 177.125 3.6556 6.285477       4.870958  
1 1 1 4   6   19 o 86.888  1.7818 372.828  15.281  369.598  19.493  377.978  24.613  86.492  2.2834 87.440  2.8518 -0.9481659     3.653274  
1 1 1 4   6   20 o 100.854 1.6239 502.286  16.165  557.714  24.062  456.687  21.824  106.241 2.2946 96.138  2.2999 10.10314       3.248803  
1 1 1 4   6   21 o 166.697 6.7157 1387.50  110.498 1405.17  156.561 1369.97  155.976 166.508 9.5663 164.363 9.6568 2.145691       13.59291  
1 1 1 4   6   22 o 100.670 1.6542 500.595  16.437  549.078  24.471  460.738  22.187  105.385 2.3525 96.538  2.3285 8.847336       3.310038  
1 1 1 4   6   23 o 67.302  6.1941 229.012  40.686  209.332  57.552  248.673  57.525  63.305  9.5042 69.431  8.5762 -6.126873      12.80161  
1 1 1 4   6   24 o 55.923  1.8306 154.635  10.105  149.427  15.593  158.405  13.267  54.821  2.8919 56.565  2.3763 -1.743286      3.742950  
1 1 1 4   6   25 o 69.761  1.7023 240.632  11.721  240.874  17.744  240.445  15.613  69.711  2.5787 69.683  2.2700 0.2816010E-01  3.435535  
1 1 1 4   6   26 f 59.203  1.8711 173.429  10.934  189.820  17.481  162.897  14.013  61.829  2.8645 57.320  2.4767 4.508209       3.786753  
1 1 1 4   7   0  o 235.586 2.8493 2740.39  66.254  2767.85  93.719  2712.95  93.677  236.707 4.0113 234.345 4.0499 2.361694       5.700174  
1 1 1 4   7   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   7   2  o 67.308  5.8769 225.859  38.652  222.848  54.617  228.881  54.708  66.483  8.5190 67.409  8.4050 -0.9267426     11.96734  
1 1 1 4   7   3  o 201.961 2.5265 2014.06  50.365  1919.85  73.688  2096.67  68.997  197.113 3.7874 206.015 3.3931 -8.902039      5.085051  
1 1 1 4   7   4  o 70.444  0.9500 244.924  6.6057  239.770  9.4196  249.911  9.2660  69.696  1.3693 71.155  1.3193 -1.459114      1.901465  
1 1 1 4   7   5  o 353.611 4.3419 6181.99  151.542 6355.56  228.011 6044.65  202.821 358.157 6.4498 349.402 5.8810 8.755035       8.728508  
1 1 1 4   7   6  o 142.963 2.0187 1009.03  28.486  1038.29  41.402  982.721  39.255  144.994 2.8929 141.063 2.8193 3.931091       4.039495  
1 1 1 4   7   7  o 150.327 2.5648 1115.83  38.056  1110.50  53.819  1121.17  53.819  149.929 3.6368 150.648 3.6194 -0.7193146     5.130933  
1 1 1 4   7   8  o 182.435 2.4131 1643.22  43.452  1613.42  61.449  1673.04  61.452  180.735 3.4446 184.047 3.3828 -3.311829      4.827869  
1 1 1 4   7   9  o 376.233 4.6547 6995.47  172.857 7077.64  230.839 6890.57  260.808 378.237 6.1832 373.063 7.0828 5.173737       9.402003  
1 1 1 4   7   10 o 382.068 4.9000 7214.87  184.785 7187.96  255.813 7244.22  267.211 381.093 6.8008 382.537 7.0770 -1.443359      9.814984  
1 1 1 4   7   11 o 395.053 13.920 7798.12  542.787 7798.12  542.787 0.0000   0.0000  395.053 13.920 ?       ?      0.000000       13.92003  
1 1 1 4   7   12 o 496.362 23.671 12623.63 1159.72 12623.63 1159.72 0.0000   0.0000  496.362 23.671 ?       ?      0.000000       23.67134  
1 1 1 4   7   13 o 89.680  1.5010 396.984  13.287  394.129  17.475  400.897  20.456  89.351  1.9815 90.110  2.2999 -0.7589417     3.035773  
1 1 1 4   7   14 o 132.841 2.5378 871.464  33.276  869.121  33.908  932.572  173.164 132.660 2.5896 135.698 13.091 -3.038010      13.34463  
1 1 1 4   7   15 o 226.988 3.0474 2545.86  68.276  2455.10  107.123 2607.95  88.606  222.697 4.8734 229.651 3.9090 -6.953568      6.247427  
1 1 1 4   7   16 o 201.160 2.5463 1999.12  50.558  2035.30  71.550  1963.05  71.450  202.869 3.5732 199.229 3.6334 3.639938       5.096066  
1 1 1 4   7   17 o 93.018  1.6053 427.219  14.739  394.437  21.261  457.548  20.450  89.351  2.4107 96.245  2.1527 -6.893784      3.231986  
1 1 1 4   7   18 o 51.546  1.6668 131.200  8.4802  121.625  11.810  141.392  12.184  49.614  2.4116 53.496  2.3075 -3.882595      3.337758  
1 1 1 4   7   19 o 285.885 3.4899 4044.18  98.479  3943.65  139.181 4144.96  139.360 281.919 5.0017 289.061 4.8844 -7.141998      6.991078  
1 1 1 4   7   20 o 62.762  6.5847 198.447  40.183  177.787  56.753  219.216  56.902  58.526  10.195 65.442  9.0515 -6.915756      13.63320  
1 1 1 4   7   21 f 108.345 2.5777 580.335  27.566  558.821  37.091  606.878  41.199  106.236 3.5372 110.685 3.7711 -4.449043      5.170410  
1 1 1 4   7   22 o 231.621 3.3114 2656.87  75.704  2652.32  95.481  2664.56  124.227 231.184 4.1843 231.275 5.4419 -0.9150696E-01 6.864655  
1 1 1 4   7   23 o 12.934  4.5838 7.2126   7.3271  -2.3114  11.438  13.842   9.5422  11.847  5.1736 16.715  5.2160 -4.867806      7.346591  
1 1 1 4   7   24 o 82.655  3.5665 339.544  29.097  326.952  31.492  413.012  76.068  81.046  3.9367 89.236  8.7488 -8.189613      9.593705  
1 1 1 4   7   25 o 39.437  1.6270 76.890   6.3331  79.283   14.980  76.369   6.9884  39.700  3.8720 39.295  1.8018 0.4051437      4.270743  
1 1 1 4   7   26 o 66.054  1.8584 215.882  12.116  217.751  18.713  214.533  15.898  66.222  2.8629 65.785  2.4484 0.4372864      3.767113  
1 1 1 4   8   0  o 304.847 8.3561 4605.04  251.431 4636.44  355.590 4573.63  355.565 305.269 11.801 303.177 11.882 2.091553       16.74680  
1 1 1 4   8   1  o 371.987 9.3748 6864.84  344.211 6894.62  486.793 6835.06  486.782 371.823 13.264 370.196 13.322 1.626495       18.79920  
1 1 1 4   8   2  o 170.610 2.3813 1437.04  40.100  1439.49  49.981  1432.61  67.179  170.739 2.9658 170.292 3.9968 0.4473724      4.976953  
1 1 1 4   8   3  o 73.060  1.4006 263.461  10.100  263.461  10.100  0.0000   0.0000  73.060  1.4006 ?       ?      0.000000       1.400636  
1 1 1 4   8   4  o 228.778 3.0066 2584.72  67.893  2581.52  96.013  2587.91  96.018  228.562 4.2559 228.845 4.2509 -0.2832184     6.015222  
1 1 1 4   8   5  o 133.208 1.7443 875.916  22.934  914.956  32.511  837.244  32.358  136.130 2.4196 130.219 2.5175 5.911728       3.491755  
1 1 1 4   8   6  o 261.123 3.4345 3367.95  88.521  3483.52  125.244 3252.58  125.132 265.460 4.7800 256.495 4.9426 8.964630       6.875854  
1 1 1 4   8   7  o 370.199 4.9576 6774.99  181.149 6864.59  276.922 6707.97  239.500 372.226 7.5373 368.124 6.5914 4.101624       10.01290  
1 1 1 4   8   8  o 231.998 3.1665 2658.01  72.509  2643.55  107.870 2669.94  97.936  231.272 4.7255 232.455 4.2684 -1.182983      6.367854  
1 1 1 4   8   9  o 264.431 4.0883 3454.52  106.706 3449.27  162.738 3458.49  141.328 264.044 6.2442 264.477 5.4139 -0.4333191     8.264398  
1 1 1 4   8   10 o 225.080 14.783 2545.55  326.604 0.0000   0.0000  2545.55  326.604 ?       ?      225.080 14.783 0.000000       14.78337  
1 1 1 4   8   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   8   12 o 414.364 7.9968 8511.25  327.062 8761.48  566.491 8386.14  400.567 418.619 13.710 410.830 9.8782 7.788971       16.89814  
1 1 1 4   8   13 o 134.658 1.8816 895.154  25.009  871.445  34.811  920.444  35.954  132.843 2.6549 136.526 2.6680 -3.683243      3.763876  
1 1 1 4   8   14 o 143.943 2.2172 1023.08  31.502  1004.01  37.642  1067.65  57.549  142.578 2.6748 146.960 3.9674 -4.382507      4.784832  
1 1 1 4   8   15 o 103.688 1.9877 530.879  20.343  540.254  24.688  511.051  35.904  104.588 2.3916 101.673 3.5778 2.914589       4.303473  
1 1 1 4   8   16 o 59.681  1.3035 175.834  7.6786  165.124  10.244  189.567  11.600  57.828  1.7947 61.958  1.8968 -4.130604      2.611346  
1 1 1 4   8   17 o 80.003  1.5001 316.017  11.846  318.310  16.489  313.571  17.029  80.277  2.0810 79.674  2.1654 0.6025620      3.003233  
1 1 1 4   8   18 o 108.979 1.6715 586.472  17.980  591.129  24.845  581.351  26.053  109.383 2.3012 108.467 2.4335 0.9155426      3.349226  
1 1 1 4   8   19 o 60.116  7.3597 183.102  42.758  187.857  53.183  174.411  71.903  60.480  9.1990 57.302  13.010 3.177696       15.93365  
1 1 1 4   8   20 o 22.277  5.5009 25.645   12.024  29.670   24.653  24.388   13.773  25.080  8.4294 21.835  6.1360 3.245287       10.42618  
1 1 1 4   8   21 f 96.038  1.7558 455.568  16.644  436.920  23.137  475.566  23.960  94.013  2.4934 98.084  2.4749 -4.070900      3.513119  
1 1 1 4   8   22 f 146.191 2.4380 1056.74  35.179  1023.07  43.013  1124.77  61.138  143.769 3.0311 150.560 4.1140 -6.791473      5.110094  
1 1 1 4   8   23 o 39.796  2.4752 78.659   9.6744  74.832   13.743  82.418   13.622  38.665  3.6440 40.624  3.4291 -1.959393      5.003755  
1 1 1 4   8   24 o 80.883  1.9534 323.544  15.595  312.000  20.281  340.247  24.395  79.364  2.5890 82.829  2.9839 -3.464745      3.950486  
1 1 1 4   8   25 o 104.973 1.8526 545.092  19.195  544.516  28.450  545.573  26.007  104.771 2.7511 104.917 2.5114 -0.1463547     3.725021  
1 1 1 4   8   26 o 52.618  2.0899 137.089  10.854  141.938  17.175  133.865  14.006  53.313  3.2797 51.862  2.7458 1.451469       4.277377  
1 1 1 4   9   0  o 119.747 6.2432 711.340  73.535  725.181  103.953 697.477  104.036 120.608 8.7928 118.244 8.9812 2.364700       12.56881  
1 1 1 4   9   1  o 114.702 1.4449 649.383  16.359  651.276  23.136  647.490  23.133  114.862 2.0407 114.527 2.0464 0.3343887      2.890036  
1 1 1 4   9   2  o 429.047 4.9633 9098.30  210.190 9121.56  297.251 9075.04  297.256 429.276 7.0154 428.177 7.0336 1.099457       9.934133  
1 1 1 4   9   3  o 97.368  1.2428 467.930  11.944  467.933  16.831  467.927  16.952  97.364  1.7514 97.363  1.7639 0.6866455E-03  2.485736  
1 1 1 4   9   4  f 232.624 3.2024 2672.35  73.530  2692.11  92.234  2637.90  121.800 233.439 4.0030 230.985 5.3423 2.454025       6.675670  
1 1 1 4   9   5  o 157.917 2.1468 1231.09  33.462  1269.38  45.198  1184.66  49.779  160.335 2.8560 154.880 3.2562 5.454849       4.331264  
1 1 1 4   9   6  o 222.725 2.7309 2449.36  60.035  2466.91  84.932  2431.83  84.872  223.468 3.8506 221.872 3.8755 1.596024       5.463171  
1 1 1 4   9   7  o 443.368 5.4442 9720.07  238.251 9806.45  336.938 9633.69  336.938 444.911 7.6726 440.960 7.7414 3.951538       10.89943  
1 1 1 4   9   8  o 139.156 1.6838 955.849  23.128  972.729  32.778  939.113  32.637  140.367 2.3658 137.920 2.3975 2.447479       3.368233  
1 1 1 4   9   9  o 45.903  5.7756 105.852  25.589  77.820   35.837  135.008  36.549  38.828  9.4421 51.697  7.3713 -12.86942      11.97876  
1 1 1 4   9   10 f 344.001 12.736 5904.05  432.424 0.0000   0.0000  5904.05  432.424 ?       ?      344.001 12.736 0.000000       12.73552  
1 1 1 4   9   11 f 138.083 1.9673 941.243  26.813  944.626  38.852  938.166  37.051  138.309 2.8460 137.839 2.7233 0.4703217      3.938995  
1 1 1 4   9   12 o 283.175 3.7558 3961.80  104.975 3944.30  148.456 3979.30  148.459 282.391 5.3261 283.644 5.3027 -1.252899      7.515764  
1 1 1 4   9   13 o 182.500 2.6603 1644.79  47.920  1664.31  70.525  1628.05  65.314  183.512 3.8935 181.518 3.6455 1.994476       5.333771  
1 1 1 4   9   14 o 144.215 1.9568 1026.87  27.854  1031.16  40.370  1022.98  38.481  144.481 2.8308 143.912 2.7090 0.5686951      3.918213  
1 1 1 4   9   15 f 229.643 4.8228 2611.33  109.316 0.0000   0.0000  2611.33  109.316 ?       ?      229.643 4.8228 0.000000       4.822765  
1 1 1 4   9   16 o 162.999 2.2589 1312.39  36.343  1273.90  51.253  1351.31  51.543  160.516 3.2349 165.328 3.1586 -4.812042      4.521207  
1 1 1 4   9   17 o 88.970  1.6225 390.861  14.249  398.843  19.750  382.198  20.576  89.853  2.2269 87.952  2.3702 1.900787       3.252259  
1 1 1 4   9   18 f 155.430 13.640 1248.89  207.139 1248.89  207.139 0.0000   0.0000  155.430 13.640 ?       ?      0.000000       13.63970  
1 1 1 4   9   19 o 31.283  10.776 45.517   40.324  45.517   40.324  0.0000   0.0000  31.283  10.776 ?       ?      0.000000       10.77636  
1 1 1 4   9   20 o 172.719 2.4767 1474.51  42.223  1460.13  59.679  1488.92  59.746  171.742 3.5206 173.431 3.4902 -1.689148      4.957427  
1 1 1 4   9   21 o 123.783 1.9582 756.978  23.925  728.589  33.437  786.760  34.247  121.373 2.7911 126.129 2.7509 -4.756119      3.918907  
1 1 1 4   9   22 o 55.499  2.0781 152.227  11.384  147.120  15.630  157.997  16.613  54.446  2.9191 56.420  2.9939 -1.974319      4.181466  
1 1 1 4   9   23 o 56.983  2.0077 160.520  11.292  151.324  15.670  170.454  16.286  55.202  2.8860 58.672  2.8123 -3.469788      4.029595  
1 1 1 4   9   24 o 117.359 2.0152 681.261  23.343  696.267  31.292  662.435  35.051  118.543 2.6744 115.554 3.0731 2.989029       4.073899  
1 1 1 4   9   25 o 53.014  3.1890 140.180  16.610  0.0000   0.0000  140.180  16.610  ?       ?      53.014  3.1890 0.000000       3.189030  
1 1 1 4   9   26 o 27.380  9.1398 38.067   28.982  38.067   28.982  0.0000   0.0000  27.380  9.1398 ?       ?      0.000000       9.139824  
1 1 1 4   10  0  o 124.386 2.1826 763.822  26.797  759.722  27.639  828.060  109.401 124.050 2.2573 128.900 8.6489 -4.850426      8.938577  
1 1 1 4   10  1  o 237.934 2.8769 2795.50  67.563  2740.10  95.492  2851.03  95.604  235.497 4.1082 240.221 4.0321 -4.724442      5.756319  
1 1 1 4   10  2  o 153.282 1.9384 1159.82  29.328  1185.51  41.497  1134.18  41.454  154.952 2.7132 151.558 2.7711 3.393753       3.878235  
1 1 1 4   10  3  o 99.526  1.2305 488.895  12.087  463.223  17.019  515.028  17.171  96.872  1.7799 102.146 1.7031 -5.274223      2.463422  
1 1 1 4   10  4  o 311.929 4.7760 4808.93  147.047 4722.08  366.914 4825.55  160.499 307.892 12.073 312.425 5.2047 -4.532501      13.14753  
1 1 1 4   10  5  o 214.600 2.6643 2273.86  56.434  2237.83  79.776  2309.95  79.843  212.844 3.7973 216.249 3.7407 -3.405457      5.330344  
1 1 1 4   10  6  o 133.862 1.6631 884.498  21.974  850.238  30.979  919.189  31.173  131.231 2.3917 136.451 2.3146 -5.219086      3.328256  
1 1 1 4   10  7  o 94.337  1.7164 439.291  15.982  448.301  22.124  429.458  23.113  95.292  2.3522 93.265  2.5108 2.026581       3.440472  
1 1 1 4   10  8  o 104.982 6.1293 547.134  63.237  556.067  89.459  538.212  89.402  105.532 8.6647 103.792 8.8099 1.740227       12.35685  
1 1 1 4   10  9  o 263.196 7.7778 3433.06  202.055 3469.33  285.767 3396.81  285.732 264.039 10.965 261.241 11.081 2.797272       15.58921  
1 1 1 4   10  10 o 223.350 2.8136 2463.35  62.027  2497.89  87.678  2428.75  87.761  224.848 3.9507 221.710 4.0103 3.137711       5.629447  
1 1 1 4   10  11 o 198.995 2.5099 1955.14  49.299  1897.67  69.688  2012.71  69.750  196.003 3.6021 201.861 3.5007 -5.858505      5.022993  
1 1 1 4   10  12 o 148.164 2.2226 1083.87  32.504  1115.15  45.967  1052.58  45.969  150.257 3.0994 145.977 3.1904 4.279739       4.448039  
1 1 1 4   10  13 o 282.017 3.7044 3930.68  103.116 3950.67  145.909 3910.74  145.747 282.536 5.2321 281.101 5.2530 1.434540       7.414063  
1 1 1 4   10  14 o 207.807 2.6383 2133.09  54.115  2125.09  76.500  2141.11  76.560  207.325 3.7383 208.106 3.7272 -0.7811279     5.278946  
1 1 1 4   10  15 o 209.806 2.9770 2175.42  61.649  2195.88  91.319  2158.28  83.566  210.619 4.3927 208.855 4.0537 1.763992       5.977308  
1 1 1 4   10  16 o 59.651  2.3489 175.786  13.830  0.0000   0.0000  175.786  13.830  ?       ?      59.651  2.3489 0.000000       2.348880  
1 1 1 4   10  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   10  18 o 30.356  8.6565 47.407   27.205  0.0000   0.0000  47.407   27.205  ?       ?      30.356  8.6565 0.000000       8.656462  
1 1 1 4   10  19 o 35.043  1.4136 60.635   4.8895  60.860   5.3461  59.484   12.091  35.107  1.5428 34.477  3.6064 0.6297455      3.922539  
1 1 1 4   10  20 o 58.833  1.8919 170.979  10.986  169.368  15.624  172.554  15.451  58.526  2.7047 59.076  2.6497 -0.5500870     3.786323  
1 1 1 4   10  21 o 38.160  1.6920 71.924   6.3731  67.432   7.0311  92.608   15.088  36.893  1.9376 43.092  3.5797 -6.198315      4.070471  
1 1 1 4   10  22 o 94.671  1.8882 442.857  17.645  422.609  25.067  462.740  24.841  92.419  2.7479 96.721  2.6020 -4.301376      3.784406  
1 1 1 4   10  23 o 32.214  3.3773 52.023   10.579  47.365   15.096  56.519   14.830  30.387  5.2212 33.379  4.6255 -2.991966      6.975399  
1 1 1 4   10  24 o 61.060  1.6756 184.291  10.099  186.965  12.428  179.093  17.327  61.477  2.0481 60.095  2.9212 1.381962       3.567603  
1 1 1 4   10  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   10  26 o 26.258  7.2871 36.584   19.553  36.584   19.553  0.0000   0.0000  26.258  7.2871 ?       ?      0.000000       7.287113  
1 1 1 4   10  27 o 75.246  2.3984 280.959  17.813  280.791  25.574  281.117  24.826  75.005  3.4545 75.073  3.3503 -0.6852722E-01 4.812274  
1 1 1 4   11  0  o 322.511 4.2479 5141.70  135.225 4993.46  191.191 5290.08  191.282 317.551 6.0999 326.877 5.9287 -9.325989      8.506335  
1 1 1 4   11  1  o 147.441 1.8656 1073.16  27.150  1076.83  38.426  1069.49  38.366  147.673 2.6363 147.169 2.6412 0.5046082      3.731763  
1 1 1 4   11  2  o 157.007 1.9956 1216.94  30.925  1197.39  43.737  1236.49  43.733  155.717 2.8457 158.240 2.8000 -2.523483      3.992229  
1 1 1 4   11  3  o 117.064 1.5643 676.431  18.075  721.884  25.590  631.176  25.534  120.924 2.1440 113.070 2.2879 7.854713       3.135485  
1 1 1 4   11  4  o 275.688 3.4515 3754.09  93.921  3701.38  138.955 3798.42  127.439 273.605 5.1454 277.215 4.6575 -3.609955      6.940253  
1 1 1 4   11  5  o 145.789 2.7121 1049.49  39.027  1440.24  137.192 1015.09  40.709  170.433 8.1553 143.375 2.8766 27.05797       8.647784  
1 1 1 4   11  6  o 61.440  1.3532 186.323  8.2061  193.810  11.609  178.846  11.601  62.659  1.8771 60.191  1.9527 2.468124       2.708614  
1 1 1 4   11  7  o 289.084 8.1224 4143.81  231.763 4011.78  327.699 4275.94  327.824 283.725 11.702 293.005 11.335 -9.280090      16.29161  
1 1 1 4   11  8  o 216.919 7.1693 2330.97  153.500 2384.52  217.148 2277.49  217.016 218.999 10.046 213.992 10.275 5.007507       14.36949  
1 1 1 4   11  9  f 132.218 2.0603 862.994  26.888  851.692  37.966  874.367  38.083  131.330 2.9289 133.068 2.8995 -1.737488      4.121367  
1 1 1 4   11  10 f 123.695 1.8037 755.277  22.022  732.968  31.009  777.979  31.281  121.840 2.5784 125.526 2.5247 -3.686554      3.608665  
1 1 1 4   11  11 o 199.394 2.6844 1963.35  52.831  1964.48  74.711  1962.22  74.719  199.388 3.7962 199.273 3.7988 0.1149902      5.370480  
1 1 1 4   11  12 o 111.991 1.6531 619.138  18.273  622.156  25.810  616.105  25.873  112.249 2.3296 111.701 2.3467 0.5475922      3.306646  
1 1 1 4   11  13 f 156.651 2.0770 1211.69  32.115  1189.92  45.339  1233.62  45.497  155.196 2.9598 158.023 2.9169 -2.826630      4.155589  
1 1 1 4   11  14 o 202.779 2.5574 2031.23  51.186  1976.85  72.325  2085.80  72.453  199.948 3.6647 205.393 3.5738 -5.445511      5.118801  
1 1 1 4   11  15 o 179.614 2.3289 1593.65  41.289  1549.96  58.277  1637.69  58.506  177.048 3.3348 181.997 3.2569 -4.949280      4.661357  
1 1 1 4   11  16 o 122.870 6.4762 753.414  78.264  764.924  110.659 741.894  110.704 123.130 9.1710 121.207 9.3250 1.922867       13.07906  
1 1 1 4   11  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   11  18 o 185.010 2.4235 1691.63  44.257  1651.48  65.457  1725.45  60.066  182.640 3.6310 186.743 3.2588 -4.102814      4.878901  
1 1 1 4   11  19 o 81.008  1.4179 324.029  11.337  304.293  16.728  340.798  15.419  78.476  2.1596 83.062  1.8808 -4.585815      2.863740  
1 1 1 4   11  20 o 80.872  1.5234 322.984  12.161  326.056  17.846  320.320  16.616  81.227  2.2259 80.516  2.0908 0.7112427      3.053851  
1 1 1 4   11  21 o 160.127 2.6707 1268.16  42.211  1220.88  80.256  1286.24  49.630  156.643 5.1908 161.201 3.1192 -4.557938      6.055873  
1 1 1 4   11  22 o 103.590 1.8690 530.246  19.110  525.276  26.431  535.688  27.661  103.044 2.5988 104.051 2.6933 -1.006981      3.742665  
1 1 1 4   11  23 f 97.312  1.8708 468.081  17.969  458.632  24.925  478.307  25.929  96.251  2.6236 98.289  2.6726 -2.037224      3.745139  
1 1 1 4   11  24 o 73.873  9.5567 287.674  68.049  0.0000   0.0000  287.674  68.049  ?       ?      73.873  9.5567 0.000000       9.556691  
1 1 1 4   11  25 o 85.712  2.8150 364.720  23.815  355.262  35.557  372.413  32.070  84.159  4.2948 86.411  3.7601 -2.252380      5.708217  
1 1 1 4   11  26 o 75.791  2.2747 284.728  17.017  288.606  25.505  281.617  22.844  76.102  3.3954 75.240  3.0761 0.8619690      4.581611  
1 1 1 4   11  27 f 25.655  1.4513 32.653   3.6600  23.410   21.041  32.941   3.7167  22.149  7.7756 25.767  1.4675 -3.617935      7.912896  
1 1 1 4   12  0  o 225.225 2.7523 2505.74  61.185  2481.89  86.517  2529.61  86.539  224.044 3.9123 226.192 3.8762 -2.147705      5.507358  
1 1 1 4   12  1  o 25.541  1.1897 32.199   2.9991  36.729   4.1011  26.991   4.3970  27.234  1.5319 23.302  1.9291 3.932491       2.463384  
1 1 1 4   12  2  o 262.019 3.4707 3392.05  89.761  3386.36  126.964 3397.72  126.919 261.650 4.9162 262.090 4.9062 -0.4396973     6.945436  
1 1 1 4   12  3  o 218.716 2.6895 2362.30  58.061  2341.98  82.129  2382.61  82.094  217.704 3.8220 219.587 3.7876 -1.882843      5.380911  
1 1 1 4   12  4  o 121.575 1.5743 729.594  18.891  712.310  26.691  746.941  26.741  120.114 2.2514 123.000 2.2026 -2.886253      3.149600  
1 1 1 4   12  5  o 338.440 4.0815 5660.41  136.343 5547.19  201.247 5756.46  185.368 334.765 6.0906 341.113 5.5056 -6.348602      8.210118  
1 1 1 4   12  6  o 329.749 8.7573 5399.11  285.027 5223.58  403.047 5574.71  403.130 323.283 12.631 334.105 12.224 -10.82224      17.57786  
1 1 1 4   12  7  o 277.101 7.9778 3808.95  218.201 3724.91  308.526 3893.05  308.638 273.290 11.438 279.453 11.189 -6.162811      16.00068  
1 1 1 4   12  8  o 207.673 2.7336 2129.76  56.034  2080.74  82.819  2171.15  76.095  205.190 4.0892 209.628 3.6777 -4.437790      5.499712  
1 1 1 4   12  9  f 272.227 3.5286 3661.28  94.813  3637.79  134.132 3684.75  134.038 271.203 5.0108 272.952 4.9752 -1.749023      7.061188  
1 1 1 4   12  10 o 190.490 3.0167 1792.31  56.720  1780.66  80.219  1803.97  80.210  189.788 4.2823 191.029 4.2540 -1.240219      6.036108  
1 1 1 4   12  11 o 35.611  0.8491 62.589   2.9846  53.871   4.2161  71.346   4.2256  33.036  1.2930 38.019  1.1260 -4.983288      1.714569  
1 1 1 4   12  12 o 109.557 1.6569 592.550  17.917  595.071  25.200  589.973  25.480  109.772 2.3258 109.300 2.3618 0.4723587      3.314744  
1 1 1 4   12  13 o 260.855 3.2661 3363.18  84.093  3301.50  124.231 3415.35  114.247 258.216 4.8743 262.710 4.4059 -4.494202      6.570463  
1 1 1 4   12  14 o 43.850  1.4549 94.927   6.2972  96.925   11.017  93.957   7.6744  44.221  2.5347 43.621  1.7824 0.5993385      3.098663  
1 1 1 4   12  15 o 63.800  7.2071 205.402  44.589  161.146  76.659  228.031  54.816  55.063  14.057 67.000  8.4788 -11.93676      16.41592  
1 1 1 4   12  16 o 154.951 6.6060 1196.34  101.035 1170.36  143.575 1221.83  142.204 152.169 9.6085 155.605 9.3014 -3.435944      13.37308  
1 1 1 4   12  17 o 117.438 1.8654 681.219  21.623  645.708  30.273  718.209  30.896  114.285 2.6837 120.537 2.5969 -6.252014      3.734419  
1 1 1 4   12  18 o 89.015  2.2263 391.541  19.560  392.487  20.204  377.401  78.110  89.119  2.2969 86.021  9.3502 3.097733       9.628170  
1 1 1 4   12  19 o 139.069 2.0798 955.591  28.548  890.250  38.351  1036.80  42.754  134.157 2.8962 144.767 2.9921 -10.61047      4.164204  
1 1 1 4   12  20 o 67.186  1.4505 222.909  9.6192  221.524  13.572  224.306  13.635  66.956  2.0537 67.376  2.0503 -0.4192047     2.901957  
1 1 1 4   12  21 o 51.803  1.6555 132.554  8.4647  131.120  10.093  135.954  15.542  51.512  1.9851 52.322  3.0224 -0.8104210     3.615990  
1 1 1 4   12  22 o 83.268  1.8003 342.602  14.796  328.954  20.295  358.084  21.617  81.544  2.5216 85.074  2.5743 -3.529678      3.603502  
1 1 1 4   12  23 o 77.377  6.4913 303.427  49.118  329.966  69.999  277.684  68.941  79.766  9.0510 72.771  9.8513 6.994980       13.37798  
1 1 1 4   12  24 o 140.563 4.0213 984.940  55.793  1073.85  133.429 966.100  61.420  143.275 9.4888 139.047 4.4752 4.228271       10.49119  
1 1 1 4   12  25 o 73.659  2.0271 268.639  14.738  286.709  24.467  258.348  18.464  75.900  3.2659 72.160  2.5924 3.739952       4.169701  
1 1 1 4   12  26 o 33.756  3.7863 57.638   12.398  59.987   17.635  55.342   17.433  34.030  5.4329 32.606  5.6198 1.424217       7.816559  
1 1 1 4   12  27 o 39.874  4.3487 80.884   16.838  59.619   38.856  85.801   18.683  32.850  10.560 40.981  4.7042 -8.130623      11.56032  
1 1 1 4   13  0  o 241.391 2.9477 2879.70  70.232  2900.02  99.358  2859.41  99.286  242.075 4.1583 240.370 4.1848 1.705292       5.899537  
1 1 1 4   13  1  o 182.139 2.2857 1638.45  41.091  1598.11  58.088  1678.86  58.136  179.812 3.2729 184.306 3.1958 -4.493439      4.574355  
1 1 1 4   13  2  f 125.180 1.6298 773.605  20.138  769.127  28.483  778.081  28.476  124.796 2.3123 125.520 2.2984 -0.7248459     3.260285  
1 1 1 4   13  3  o 89.550  1.2473 395.831  11.024  387.176  15.466  404.772  15.719  88.557  1.7693 90.547  1.7588 -1.990128      2.494795  
1 1 1 4   13  4  o 323.316 4.2726 5168.94  136.348 4976.42  192.706 5361.95  192.945 316.905 6.1607 328.998 5.9416 -12.09293      8.559078  
1 1 1 4   13  5  o 382.138 13.701 7343.85  516.769 7189.71  730.664 7498.12  730.980 373.812 19.874 382.096 19.446 -8.283173      27.80559  
1 1 1 4   13  6  o 274.772 7.9354 3749.15  215.216 3660.00  304.328 3838.34  304.397 270.601 11.394 277.197 11.125 -6.595886      15.92484  
1 1 1 4   13  7  o 340.047 8.9400 5751.64  300.063 5746.51  424.451 5756.77  424.256 338.550 12.702 338.859 12.685 -0.3096008     17.95100  
1 1 1 4   13  8  o 350.949 4.4786 6090.78  155.140 6010.43  212.870 6181.80  226.573 348.306 6.1919 353.167 6.4997 -4.861176      8.976952  
1 1 1 4   13  9  o 41.667  2.0479 85.721   8.4223  89.207   11.275  81.321   12.668  42.413  2.7075 40.445  3.1994 1.968258       4.191271  
1 1 1 4   13  10 o 234.683 3.1159 2721.16  72.178  2646.82  101.954 2795.85  102.196 231.319 4.4654 237.756 4.3548 -6.436630      6.237315  
1 1 1 4   13  11 o 67.742  1.5166 226.538  10.140  210.712  13.891  244.593  14.836  65.323  2.1545 70.379  2.1358 -5.056419      3.033686  
1 1 1 4   13  12 o 97.011  1.5650 464.625  14.986  425.497  20.861  506.351  21.542  92.818  2.2770 101.258 2.1554 -8.439507      3.135335  
1 1 1 4   13  13 o 147.209 2.0609 1070.24  29.946  1034.27  44.240  1100.65  40.683  144.650 3.0986 149.244 2.7617 -4.594528      4.150695  
1 1 1 4   13  14 o 83.826  6.2419 351.265  51.274  347.315  73.261  355.058  71.787  82.754  9.1206 83.755  8.8161 -1.000572      12.68497  
1 1 1 4   13  15 o 70.127  6.2286 246.633  42.664  274.696  60.193  218.300  60.482  73.578  8.4410 65.178  9.6968 8.400383       12.85602  
1 1 1 4   13  16 o 170.643 2.4304 1439.13  40.935  1398.42  58.773  1477.49  57.047  168.077 3.5427 172.792 3.3448 -4.714798      4.872224  
1 1 1 4   13  17 o 69.539  1.5863 238.807  10.888  220.949  14.421  262.488  16.606  66.869  2.1849 72.879  2.3085 -6.009956      3.178500  
1 1 1 4   13  18 o 128.259 1.8554 812.620  23.489  807.058  33.015  818.321  33.425  127.760 2.6181 128.647 2.6324 -0.8871384     3.712633  
1 1 1 4   13  19 o 212.905 2.8254 2242.21  59.375  2191.42  81.060  2301.00  87.215  210.260 3.9058 215.404 4.1021 -5.144348      5.664131  
1 1 1 4   13  20 o 115.018 1.9120 653.632  21.706  628.509  29.389  683.783  32.196  112.728 2.6413 117.567 2.7745 -4.839264      3.830745  
1 1 1 4   13  21 o 31.343  1.2325 48.507   3.8131  50.646   5.3881  46.362   5.3968  31.973  1.7136 30.580  1.7959 1.392570       2.482265  
1 1 1 4   13  22 o 28.518  7.9787 42.376   23.341  35.251   34.084  48.668   32.029  27.855  9.8847 30.807  9.5468 -2.952261      13.74223  
1 1 1 4   13  23 o 88.020  6.3997 392.395  55.220  433.786  78.500  351.852  77.691  91.565  8.7939 81.926  9.8023 9.638710       13.16879  
1 1 1 4   13  24 o 124.695 2.2078 769.876  27.173  779.596  38.216  759.935  38.646  125.284 3.0904 123.674 3.1658 1.609413       4.424134  
1 1 1 4   13  25 o 28.345  4.6656 41.379   12.599  49.311   16.245  29.407   19.958  30.774  5.5524 23.904  7.5559 6.870476       9.376595  
1 1 1 4   13  26 o 32.039  1.7672 50.963   5.5669  50.285   5.8643  57.146   17.704  31.812  1.8759 33.119  5.6164 -1.307066      5.921365  
1 1 1 4   13  27 o 19.881  1.7509 19.722   3.4007  19.701   3.4421  20.584   22.000  19.867  1.7740 21.485  7.8985 -1.617445      8.095301  
1 1 1 4   14  0  o 267.386 3.2193 3535.54  84.964  3505.00  120.178 3566.05  120.136 265.955 4.5781 268.271 4.5370 -2.316040      6.445401  
1 1 1 4   14  1  o 41.370  0.9459 84.480   3.8627  81.693   6.1309  86.314   4.9740  40.677  1.5270 41.815  1.2052 -1.137997      1.945300  
1 1 1 4   14  2  o 162.311 2.0602 1301.09  33.006  1261.87  46.661  1340.36  46.694  159.785 2.9586 164.686 2.8726 -4.901367      4.123713  
1 1 1 4   14  3  o 148.175 1.9020 1084.17  27.817  1075.52  39.337  1092.81  39.342  147.541 2.7012 148.723 2.6801 -1.182358      3.805165  
1 1 1 4   14  4  o 72.469  6.1528 262.445  43.595  277.622  61.648  247.264  61.657  74.130  8.5843 69.784  9.1738 4.346237       12.56377  
1 1 1 4   14  5  o 47.294  6.5565 113.118  29.783  123.570  42.018  102.565  42.222  49.016  9.0172 44.440  9.8815 4.576466       13.37736  
1 1 1 4   14  6  o 112.564 1.5299 625.517  16.998  618.983  23.899  632.205  24.180  111.957 2.1627 113.147 2.1651 -1.189339      3.060217  
1 1 1 4   14  7  o 292.484 3.6084 4229.12  104.171 4155.40  141.412 4316.60  154.036 289.707 4.9453 295.205 5.2864 -5.498383      7.238977  
1 1 1 4   14  8  o 88.413  6.2003 389.631  53.766  394.679  76.420  384.684  75.660  88.536  8.8639 87.390  8.8955 1.146004       12.55780  
1 1 1 4   14  9  o 149.080 2.1237 1097.52  31.250  1068.88  44.004  1126.67  44.387  147.074 3.0313 151.000 2.9782 -3.926498      4.249465  
1 1 1 4   14  10 o 190.568 2.4566 1793.86  46.208  1751.64  65.178  1836.53  65.519  188.224 3.5082 192.737 3.4441 -4.513489      4.916226  
1 1 1 4   14  11 o 103.418 1.6511 528.067  16.854  504.730  23.390  553.268  24.306  101.085 2.3443 105.834 2.3268 -4.749596      3.302981  
1 1 1 4   14  12 o 252.087 3.3859 3142.63  84.246  3088.35  119.085 3197.01  119.200 249.635 4.8330 254.006 4.7544 -4.370621      6.779570  
1 1 1 4   14  13 o 131.558 6.5140 861.401  84.586  846.047  119.822 876.652  119.423 129.458 9.4424 131.854 9.2345 -2.395950      13.20735  
1 1 1 4   14  14 o 93.565  6.2484 437.684  57.374  422.430  81.914  452.375  80.385  91.220  9.2246 94.566  8.7099 -3.346298      12.68682  
1 1 1 4   14  15 o 163.820 2.2887 1326.16  37.008  1311.31  50.558  1343.29  54.318  162.808 3.1461 164.755 3.3402 -1.947617      4.588567  
1 1 1 4   14  16 o 176.111 2.3844 1532.94  41.447  1474.27  58.172  1593.44  59.069  172.572 3.4151 179.425 3.3354 -6.852341      4.773647  
1 1 1 4   14  17 o 78.602  1.6488 305.138  12.792  301.758  17.943  308.630  18.241  78.136  2.3265 79.020  2.3387 -0.8840561     3.298797  
1 1 1 4   14  18 o 122.057 2.0480 736.143  24.673  725.039  34.880  747.263  34.906  121.056 2.9192 122.902 2.8774 -1.845688      4.098940  
1 1 1 4   14  19 o 140.282 2.8406 973.643  39.332  1158.52  130.536 955.183  41.249  151.171 8.7863 138.925 3.0082 12.24565       9.287003  
1 1 1 4   14  20 o 147.639 2.2160 1077.52  32.293  1044.90  45.400  1110.92  45.943  145.261 3.1665 149.790 3.1074 -4.528519      4.436520  
1 1 1 4   14  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   14  22 o 187.186 7.0255 1767.73  129.803 1772.84  183.302 1762.58  183.838 185.108 10.070 184.518 10.133 0.5903320      14.28590  
1 1 1 4   14  23 o 106.367 2.1145 559.789  22.200  560.002  31.289  559.574  31.503  106.253 2.9834 106.209 3.0051 0.4452515E-01  4.234522  
1 1 1 4   14  24 o 66.608  2.3560 219.848  15.489  226.912  22.306  213.270  21.525  67.530  3.3465 65.385  3.3464 2.144661       4.732615  
1 1 1 4   14  25 o 62.592  2.6460 194.581  16.347  214.306  23.460  175.965  22.791  65.404  3.6486 59.175  3.9244 6.229618       5.358500  
1 1 1 4   14  26 o 52.702  3.3741 139.201  17.459  136.512  20.566  146.142  33.037  52.017  4.0372 52.972  6.4517 -0.9552116     7.610793  
1 1 1 4   14  27 o 50.987  2.9858 130.071  14.961  129.489  21.403  130.628  20.921  50.495  4.3363 50.757  4.2140 -0.2625732     6.046601  
1 1 1 4   15  0  o 159.135 2.0263 1250.92  31.828  1256.83  45.027  1245.02  44.997  159.440 2.8612 158.687 2.8728 0.7525482      4.054539  
1 1 1 4   15  1  o 131.223 1.7111 850.344  22.162  872.700  31.469  828.348  31.216  132.896 2.3991 129.472 2.4427 3.424026       3.423758  
1 1 1 4   15  2  o 131.140 1.7204 849.262  22.269  842.961  31.526  855.536  31.461  130.612 2.4454 131.584 2.4223 -0.9722137     3.442061  
1 1 1 4   15  3  f 59.132  6.2935 175.833  36.167  162.352  51.407  189.046  50.894  56.094  9.6318 60.845  8.7240 -4.751492      12.99535  
1 1 1 4   15  4  o 196.896 4.8290 1921.69  93.848  1880.16  107.563 2054.11  192.061 194.610 5.5997 202.257 9.6206 -7.646439      11.13162  
1 1 1 4   15  5  o 74.017  1.3567 270.467  9.9114  284.617  14.181  256.953  13.858  75.917  1.8925 72.132  1.9465 3.785072       2.714844  
1 1 1 4   15  6  o 74.882  1.3338 276.819  9.8584  283.960  13.671  269.084  14.229  75.832  1.8265 73.815  1.9530 2.016205       2.674029  
1 1 1 4   15  7  o 31.056  2.1888 47.875   6.6666  46.059   8.9465  50.142   9.9966  30.376  3.0241 31.681  3.2425 -1.305374      4.433883  
1 1 1 4   15  8  o 129.153 1.9969 823.783  25.456  811.599  34.138  839.044  38.205  128.157 2.6988 130.288 2.9709 -2.131302      4.013652  
1 1 1 4   15  9  f 186.654 3.2562 1722.70  59.991  1673.82  63.498  2128.86  183.048 183.961 3.4971 206.196 8.9940 -22.23509      9.649943  
1 1 1 4   15  10 o 127.472 1.8946 802.468  23.838  755.370  33.327  851.802  34.110  123.630 2.7311 131.291 2.6321 -7.660942      3.793058  
1 1 1 4   15  11 f 262.785 3.1907 3415.05  82.761  3357.95  116.897 3472.43  117.187 260.304 4.5498 264.720 4.4850 -4.415619      6.388706  
1 1 1 4   15  12 o 200.121 7.0502 1997.80  139.260 2036.22  197.094 1959.50  196.792 200.981 9.9354 196.819 10.165 4.161316       14.21380  
1 1 1 4   15  13 o 170.232 7.7850 1450.59  130.808 1455.20  160.339 1441.42  226.193 169.623 9.6164 166.663 13.876 2.959213       16.88266  
1 1 1 4   15  14 o 154.157 2.1215 1174.16  32.280  1148.51  45.395  1200.41  45.911  152.374 3.0183 155.783 2.9858 -3.408508      4.245602  
1 1 1 4   15  15 o 46.527  1.3482 106.886  6.1914  98.015   8.7159  115.922  8.7967  44.541  1.9825 48.443  1.8397 -3.901722      2.704622  
1 1 1 4   15  16 o 126.036 1.9060 784.767  23.711  759.624  33.229  810.849  33.844  123.934 2.7164 128.048 2.6778 -4.114372      3.814325  
1 1 1 4   15  17 o 127.337 2.1076 801.292  26.490  744.788  43.244  835.229  33.514  122.612 3.5732 129.959 2.6127 -7.347099      4.426511  
1 1 1 4   15  18 o 88.860  1.8086 390.094  15.863  394.775  19.653  381.347  26.868  89.368  2.2280 87.770  3.1014 1.597572       3.818761  
1 1 1 4   15  19 o 39.824  2.4493 78.723   9.5809  77.363   13.264  80.207   13.854  39.365  3.4486 40.075  3.5387 -0.7101746     4.941226  
1 1 1 4   15  20 o 140.725 6.6057 993.142  91.753  907.909  129.294 1079.61  130.227 132.898 9.9283 145.421 9.1189 -12.52260      13.48060  
1 1 1 4   15  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   15  22 o 86.303  2.0065 368.329  17.092  367.905  26.232  368.642  22.532  86.134  3.0854 86.275  2.6459 -0.1408539     4.064570  
1 1 1 4   15  23 o 47.936  1.8557 113.655  8.7804  119.236  20.032  112.328  9.7688  48.703  4.2084 47.642  2.0774 1.060635       4.693172  
1 1 1 4   15  24 o 33.385  1.1588 55.066   3.8185  41.839   5.2980  69.365   5.5085  29.016  1.8596 37.456  1.4900 -8.440058      2.382896  
1 1 1 4   15  25 f 36.601  1.2615 66.217   4.5573  60.880   6.3847  71.760   6.5071  35.015  1.8540 38.076  1.7314 -3.061016      2.536771  
1 1 1 4   15  26 o 57.308  1.5080 162.484  8.5298  173.847  21.611  160.387  9.2836  58.789  3.7437 56.923  1.6523 1.866402       4.092123  
1 1 1 4   15  27 o 58.959  6.9103 183.957  39.451  179.956  54.967  188.207  56.657  56.137  10.300 57.371  10.388 -1.234715      14.62834  
1 1 1 4   16  0  o 83.254  1.2078 342.193  9.9248  340.609  14.112  343.744  13.961  83.046  1.7216 83.428  1.6954 -0.3821869     2.416245  
1 1 1 4   16  1  f 135.053 1.8278 900.869  24.365  924.997  34.203  876.008  34.719  136.800 2.5330 133.119 2.6424 3.680832       3.660364  
1 1 1 4   16  2  o 81.647  6.1862 333.815  49.483  320.107  70.031  347.483  69.930  79.271  9.1163 82.744  8.6923 -3.472435      12.59613  
1 1 1 4   16  3  o 91.844  1.8295 416.629  16.585  385.698  23.502  447.315  23.409  88.329  2.6957 95.135  2.4929 -6.805885      3.671710  
1 1 1 4   16  4  o 93.699  1.5143 433.511  14.005  424.238  19.809  442.778  19.804  92.666  2.1658 94.671  2.1193 -2.005272      3.030200  
1 1 1 4   16  5  o 47.376  1.6642 110.839  7.7819  105.639  11.635  115.049  10.468  46.161  2.5637 48.256  2.1977 -2.095615      3.376792  
1 1 1 4   16  6  o 86.335  1.4787 368.038  12.601  363.338  18.375  372.209  17.312  85.759  2.1708 86.805  2.0205 -1.046600      2.965638  
1 1 1 4   16  7  o 222.926 2.8745 2457.04  63.250  2409.24  93.549  2497.30  85.845  220.499 4.2983 224.578 3.8727 -4.078857      5.785628  
1 1 1 4   16  8  o 207.518 2.5904 2128.43  53.058  2062.95  74.833  2194.63  75.240  204.141 3.7139 210.572 3.6200 -6.430542      5.186311  
1 1 1 4   16  9  o 196.465 2.5708 1907.75  49.853  1813.65  73.353  1988.52  67.960  191.376 3.8833 200.464 3.4347 -9.087631      5.184288  
1 1 1 4   16  10 o 121.074 2.7629 724.737  33.018  681.566  34.623  1158.27  109.720 117.395 2.9880 152.254 7.3010 -34.85863      7.888810  
1 1 1 4   16  11 o 186.527 6.9000 1737.03  127.035 1714.14  179.507 1760.00  179.803 183.920 9.9250 186.428 9.8058 -2.508316      13.95204  
1 1 1 4   16  12 o 134.267 6.4300 899.161  85.215  907.439  120.669 890.927  120.357 133.858 9.1887 132.605 9.2535 1.252518       13.04072  
1 1 1 4   16  13 o 92.755  1.5890 424.892  14.547  408.579  19.875  443.718  21.351  90.928  2.2144 94.753  2.2829 -3.825424      3.180500  
1 1 1 4   16  14 o 121.525 1.8853 729.580  22.614  684.351  31.902  775.257  32.060  117.631 2.7477 125.215 2.5941 -7.583809      3.778756  
1 1 1 4   16  15 o 77.219  1.6794 294.521  12.800  286.091  17.618  303.946  18.628  76.075  2.3463 78.410  2.4069 -2.334686      3.361276  
1 1 1 4   16  16 o 62.749  1.3313 194.428  8.2453  189.661  10.591  201.762  13.137  61.963  1.7317 63.896  2.0830 -1.932720      2.708842  
1 1 1 4   16  17 o 132.209 1.9924 863.758  26.000  845.948  36.548  882.007  36.995  130.753 2.8319 133.513 2.8073 -2.760635      3.987538  
1 1 1 4   16  18 o 33.981  1.2415 57.017   4.1639  31.703   14.208  59.396   4.3551  24.709  5.9061 34.682  1.2722 -9.973185      6.041578  
1 1 1 4   16  19 o 30.141  8.3086 47.425   25.515  38.352   43.128  52.310   31.647  30.033  11.056 31.765  9.4186 -1.731981      14.52420  
1 1 1 4   16  20 f 61.648  6.5522 192.899  39.258  192.144  55.391  193.660  55.649  60.608  9.5774 60.850  9.5823 -0.2418594     13.54795  
1 1 1 4   16  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   16  22 o 74.229  1.8957 272.489  13.889  289.562  25.622  265.384  16.529  76.344  3.4002 73.220  2.2871 3.123825       4.097804  
1 1 1 4   16  23 o 60.037  1.4246 178.146  8.4418  179.661  12.298  176.795  11.609  60.242  2.0682 59.769  1.9678 0.4736290      2.854793  
1 1 1 4   16  24 o 59.503  1.6410 175.167  9.6376  182.031  13.459  167.943  13.807  60.592  2.2504 58.181  2.4043 2.411007       3.293162  
1 1 1 4   16  25 o 49.060  1.5376 119.087  7.4455  108.951  10.505  129.318  10.554  46.855  2.2715 51.068  2.0938 -4.213337      3.089296  
1 1 1 4   16  26 o 62.846  6.8555 207.811  41.836  199.457  59.293  216.092  59.037  59.209  10.532 62.087  9.9710 -2.877888      14.50298  
1 1 1 4   16  27 o 101.052 6.7783 538.270  67.216  495.539  93.962  583.057  96.194  93.081  10.405 101.936 9.6767 -8.854935      14.20944  
1 1 1 4   17  0  o 168.332 2.4989 1400.78  41.520  1388.61  51.602  1423.13  69.923  167.520 3.1208 169.413 4.1816 -1.892776      5.217776  
1 1 1 4   17  1  o 125.749 6.4254 790.905  79.485  798.651  112.534 783.193  112.285 125.518 9.1463 124.265 9.2203 1.253242       12.98726  
1 1 1 4   17  2  o 140.536 1.9564 975.691  27.137  982.455  38.714  969.157  38.051  140.949 2.7827 139.995 2.7537 0.9541931      3.914903  
1 1 1 4   17  3  o 202.333 3.1365 2025.59  62.640  1934.80  107.820 2071.85  76.960  197.213 5.5390 204.506 3.8126 -7.292999      6.724313  
1 1 1 4   17  4  o 133.366 1.7689 878.507  23.285  845.755  32.829  911.662  33.031  130.799 2.5429 135.807 2.4642 -5.007767      3.540924  
1 1 1 4   17  5  o 187.232 2.4887 1732.86  45.993  1745.45  68.298  1722.41  62.214  187.731 3.6858 186.540 3.3790 1.190475       5.000286  
1 1 1 4   17  6  o 94.867  1.5015 444.410  14.060  434.108  20.253  453.996  19.534  93.729  2.1891 95.859  2.0646 -2.129585      3.009131  
1 1 1 4   17  7  o 125.304 1.7624 775.514  21.797  774.909  31.078  776.100  30.579  125.203 2.5148 125.302 2.4725 -0.9960175E-01 3.526663  
1 1 1 4   17  8  o 181.422 2.4739 1626.99  44.299  1636.73  60.329  1615.60  65.258  181.840 3.3613 180.612 3.6606 1.227539       4.969739  
1 1 1 4   17  9  o 86.720  1.6321 371.408  13.970  364.134  19.100  379.774  20.485  85.839  2.2543 87.656  2.3677 -1.817902      3.269231  
1 1 1 4   17  10 o 56.973  6.5266 164.105  36.040  115.015  51.002  213.063  50.934  46.578  11.226 64.632  8.1663 -18.05409      13.88183  
1 1 1 4   17  11 o 67.775  2.0961 226.976  14.022  227.765  14.428  213.531  59.545  67.890  2.1530 64.272  9.6871 3.618286       9.923470  
1 1 1 4   17  12 o 25.191  3.2015 31.914   7.7807  28.772   10.716  35.416   11.315  23.651  4.7554 26.346  4.5136 -2.694710      6.556401  
1 1 1 4   17  13 o 35.804  1.1551 63.293   4.0823  54.305   5.7559  72.389   5.7907  33.109  1.7677 38.285  1.5324 -5.176304      2.339417  
1 1 1 4   17  14 o 146.596 2.1455 1062.12  31.044  1043.38  43.512  1081.54  44.305  145.191 3.0362 147.823 3.0365 -2.631485      4.294086  
1 1 1 4   17  15 f 129.363 2.0130 826.991  25.703  822.079  36.000  832.099  36.709  128.895 2.8296 129.673 2.8681 -0.7785187     4.029001  
1 1 1 4   17  16 o 109.503 1.8702 592.485  20.214  581.581  28.990  602.803  28.200  108.420 2.7090 110.392 2.5881 -1.972450      3.746571  
1 1 1 4   17  17 o 48.875  2.2730 118.110  10.965  127.023  15.369  108.871  15.649  50.552  3.0952 46.747  3.4152 3.804989       4.609069  
1 1 1 4   17  18 o 116.255 6.4796 679.736  74.056  654.007  104.981 705.222  104.483 112.815 9.5167 117.376 9.0894 -4.560654      13.15993  
1 1 1 4   17  19 o 44.751  7.1963 103.329  30.709  95.473   43.942  110.829  42.934  42.210  10.570 45.673  9.8160 -3.463127      14.42515  
1 1 1 4   17  20 o 47.555  3.1412 112.605  14.661  115.150  24.702  111.220  18.217  47.702  5.3379 47.139  3.9517 0.5635452      6.641492  
1 1 1 4   17  21 o 48.873  2.9300 118.851  14.069  122.724  22.547  116.382  18.004  49.358  4.6842 48.223  3.8136 1.134991       6.040310  
1 1 1 4   17  22 o 86.383  3.0797 370.614  26.259  378.605  28.085  315.111  74.017  87.277  3.2603 76.862  9.9927 10.41480       10.51109  
1 1 1 4   17  23 o 82.990  1.6344 340.666  13.388  359.052  19.842  325.297  18.141  85.097  2.3623 81.013  2.2687 4.084160       3.275238  
1 1 1 4   17  24 o 84.603  1.8382 354.482  15.350  357.674  20.081  349.995  23.807  84.879  2.3969 83.854  2.8764 1.025444       3.744184  
1 1 1 4   17  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   17  26 o 39.011  4.8344 78.467   18.216  74.612   38.443  79.583   20.686  35.850  10.312 39.046  5.5215 -3.196156      11.69678  
1 1 1 4   18  0  o 26.671  7.3568 36.804   19.996  37.745   29.064  35.958   27.554  27.817  9.1465 27.149  8.9047 0.6686096      12.76526  
1 1 1 4   18  1  o 46.960  1.7564 108.935  8.1410  106.344  10.865  112.251  12.293  46.319  2.3846 47.570  2.6282 -1.250965      3.548807  
1 1 1 4   18  2  o 193.159 2.4574 1844.60  46.852  1823.13  66.103  1866.27  66.417  191.858 3.4906 194.120 3.4664 -2.261627      4.919370  
1 1 1 4   18  3  o 115.948 1.6624 664.016  19.026  672.473  26.976  655.646  26.837  116.638 2.3432 115.168 2.3608 1.469963       3.326275  
1 1 1 4   18  4  o 129.501 1.8264 828.451  23.345  824.838  33.004  832.069  33.026  129.155 2.5890 129.721 2.5794 -0.5657959     3.654591  
1 1 1 4   18  5  o 204.776 2.7713 2074.10  56.014  1999.52  79.130  2149.01  79.302  200.821 3.9921 208.224 3.8585 -7.403351      5.552019  
1 1 1 4   18  6  o 134.201 2.0119 889.876  26.650  893.656  39.767  886.795  35.906  134.389 2.9980 133.904 2.7167 0.4856110      4.045757  
1 1 1 4   18  7  o 175.873 2.5241 1529.37  43.816  1542.96  57.838  1511.06  67.123  176.532 3.3194 174.592 3.8951 1.940079       5.117600  
1 1 1 4   18  8  o 68.437  6.3438 235.833  42.365  248.397  59.958  223.307  59.869  69.596  8.9346 65.770  9.4976 3.826439       13.03958  
1 1 1 4   18  9  o 158.598 6.6512 1257.97  104.119 1239.38  147.132 1276.63  147.362 156.042 9.5994 158.443 9.4661 -2.400909      13.48170  
1 1 1 4   18  10 o 153.551 2.1304 1165.24  32.289  1167.36  45.491  1163.08  45.838  153.585 3.0009 153.299 3.0294 0.2858124      4.264074  
1 1 1 4   18  11 o 18.672  4.5383 18.009   8.2824  21.509   10.655  12.665   13.166  20.406  5.2575 17.206  6.1394 3.199575       8.082929  
1 1 1 4   18  12 o 64.189  1.8211 203.560  11.538  197.891  15.957  209.771  16.702  63.256  2.5557 65.125  2.5984 -1.868736      3.644622  
1 1 1 4   18  13 o 73.602  1.6230 267.589  11.791  264.056  16.189  271.580  17.207  73.085  2.2441 74.113  2.3522 -1.027710      3.250982  
1 1 1 4   18  14 o 110.213 2.2070 600.491  24.009  613.143  39.843  593.278  30.084  111.208 3.6298 109.494 2.7836 1.713272       4.574261  
1 1 1 4   18  15 o 83.369  1.5426 343.306  12.694  350.877  17.955  335.739  17.949  84.248  2.1591 82.408  2.2067 1.840508       3.087311  
1 1 1 4   18  16 o 49.725  1.3344 122.108  6.5490  120.364  9.1527  123.937  9.3748  49.352  1.8789 50.079  1.8966 -0.7265472     2.669731  
1 1 1 4   18  17 o 53.784  6.6882 147.428  34.739  162.955  50.104  133.054  48.208  55.785  9.4361 50.093  10.099 5.691521       13.82114  
1 1 1 4   18  18 o 148.680 6.1707 1108.96  90.556  1425.83  128.015 791.589  128.117 167.816 7.7285 123.274 10.633 44.54216       13.14532  
1 1 1 4   18  19 o 34.192  3.8158 58.804   12.658  65.671   19.906  54.143   16.402  35.747  5.8437 32.504  5.2947 3.243767       7.885625  
1 1 1 4   18  20 o 66.693  1.4208 219.756  9.3529  229.045  11.827  204.251  15.281  68.068  1.7604 64.231  2.4102 3.836891       2.984643  
1 1 1 4   18  21 o 37.301  3.7173 69.949   13.504  80.605   22.681  64.098   16.808  39.540  6.0000 35.435  4.9398 4.104927       7.771837  
1 1 1 4   18  22 o 80.204  2.1825 318.664  17.277  350.894  25.130  289.772  23.793  84.015  3.0304 76.324  3.1583 7.691063       4.376985  
1 1 1 4   18  23 o 34.977  1.9676 60.798   6.7652  71.514   21.309  59.597   7.1344  36.978  6.0474 34.613  2.0982 2.364941       6.401052  
1 1 1 4   18  24 o 67.017  6.8209 235.752  44.490  249.288  63.345  222.574  62.501  66.853  9.8989 62.703  10.468 4.150322       14.40697  
1 1 1 4   18  25 o 38.279  10.887 86.315   43.090  84.787   61.552  87.783   60.344  37.512  13.286 38.013  13.178 -0.5008278     18.71318  
1 1 1 4   18  26 o 83.404  2.3765 346.144  19.564  353.169  28.040  339.480  27.310  83.893  3.3863 82.260  3.3636 1.632935       4.772904  
1 1 1 4   19  0  o 63.936  2.2303 202.133  14.075  202.780  14.545  192.614  55.780  64.034  2.3013 60.719  9.6285 3.315098       9.899726  
1 1 1 4   19  1  o 38.125  1.9393 72.016   7.2738  73.127   10.246  70.886   10.328  38.346  2.7248 37.744  2.7921 0.6026421      3.901311  
1 1 1 4   19  2  o 124.677 1.8477 768.042  22.738  728.007  31.864  809.584  32.458  121.308 2.6612 127.934 2.5704 -6.626541      3.699831  
1 1 1 4   19  3  o 86.982  1.5073 373.674  12.941  383.433  18.273  363.855  18.330  88.079  2.1019 85.797  2.1645 2.281944       3.017090  
1 1 1 4   19  4  o 31.962  2.4224 50.801   7.5853  54.056   11.466  48.268   10.115  32.832  3.5969 31.037  3.3552 1.794802       4.918885  
1 1 1 4   19  5  o 84.420  1.5659 351.997  13.048  365.524  18.821  339.480  18.105  85.992  2.2175 82.872  2.2134 3.119820       3.133075  
1 1 1 4   19  6  o 130.747 1.8729 844.629  24.170  825.063  34.158  864.249  34.205  129.147 2.6797 132.185 2.6216 -3.037918      3.748788  
1 1 1 4   19  7  o 56.856  6.5571 163.829  36.123  162.891  50.794  164.789  51.383  55.907  9.5477 56.222  9.6042 -0.3156662     13.54252  
1 1 1 4   19  8  o 30.052  7.5398 47.163   22.328  43.794   31.361  50.626   31.796  29.611  9.4836 31.393  9.4710 -1.781519      13.40295  
1 1 1 4   19  9  o 8.9003  1.6304 4.0363   1.3795  3.9944   1.3910  6.5450   10.761  8.8497  1.6532 14.145  5.4524 -5.295579      5.697497  
1 1 1 4   19  10 o 163.620 2.6496 1324.42  42.790  1334.73  69.019  1317.98  54.536  163.941 4.2653 163.097 3.3877 0.8441772      5.446970  
1 1 1 4   19  11 o 168.652 2.3639 1406.51  39.351  1407.30  53.975  1405.60  57.492  168.553 3.2443 168.409 3.4587 0.1439209      4.742150  
1 1 1 4   19  12 o 125.903 2.6400 784.278  32.808  831.278  113.600 780.001  34.268  127.600 9.0790 125.544 2.7654 2.056282       9.490811  
1 1 1 4   19  13 o 200.218 2.9247 1984.71  57.798  1991.41  78.250  1976.66  85.741  200.291 3.9581 199.426 4.3559 0.8654633      5.885618  
1 1 1 4   19  14 o 40.681  2.6239 82.229   10.480  71.642   14.618  93.426   15.032  37.779  3.9799 43.260  3.5518 -5.480694      5.334288  
1 1 1 4   19  15 o 100.957 1.8455 503.706  18.390  490.735  25.826  517.048  26.192  99.578  2.6276 102.216 2.5961 -2.638145      3.693786  
1 1 1 4   19  16 o 69.825  6.5675 247.103  44.732  244.571  63.774  249.554  62.758  68.430  9.7148 69.241  9.4279 -0.8115311     13.53746  
1 1 1 4   19  17 f 80.845  2.7404 323.671  21.868  355.794  34.353  301.786  28.355  84.580  4.1150 77.956  3.6851 6.623917       5.523824  
1 1 1 4   19  18 o 64.066  1.4718 202.779  9.3072  201.833  13.622  203.607  12.746  63.876  2.1606 64.166  2.0125 -0.2900352     2.952701  
1 1 1 4   19  19 o 83.724  2.3147 346.980  19.128  371.655  29.495  329.069  25.130  86.491  3.4550 81.434  3.1264 5.056946       4.659539  
1 1 1 4   19  20 o 50.027  1.4513 123.684  7.1662  136.812  10.230  111.036  10.042  52.585  1.9710 47.362  2.1480 5.222927       2.915272  
1 1 1 4   19  21 o 41.766  1.8159 86.310   7.4858  87.198   8.2682  82.273   17.630  41.969  1.9960 40.270  4.5130 1.698208       4.934635  
1 1 1 4   19  22 o 29.404  1.2488 42.732   3.6242  54.920   5.3052  32.067   4.9627  33.318  1.6132 25.364  1.9985 7.953419       2.568335  
1 1 1 4   19  23 o 99.146  6.6789 512.109  64.979  523.038  92.405  501.417  91.393  97.404  9.7420 95.231  9.8661 2.172668       13.86533  
1 1 1 4   19  24 f 40.166  9.2310 91.474   35.829  97.239   58.787  88.066   45.193  39.624  13.007 38.465  11.214 1.159492       17.17398  
1 1 1 4   19  25 o 26.748  1.6110 35.568   4.2334  30.792   6.1863  39.774   5.8056  24.731  2.5719 28.222  2.0991 -3.491543      3.319829  
1 1 1 4   19  26 o 25.402  1.0432 31.903   2.6156  35.971   3.6864  27.779   3.7119  26.919  1.3922 23.621  1.6015 3.297462       2.122061  
1 1 1 4   20  0  o 75.330  1.5098 280.389  11.226  301.748  15.822  258.741  15.929  78.106  2.0524 72.311  2.2317 5.794678       3.031952  
1 1 1 4   20  1  o 81.914  1.4580 331.476  11.788  318.761  16.720  344.043  16.623  80.284  2.1099 83.414  2.0190 -3.130432      2.920284  
1 1 1 4   20  2  o 120.618 1.7409 718.937  20.727  713.376  29.158  724.617  29.468  120.073 2.4603 121.014 2.4671 -0.9414215     3.484174  
1 1 1 4   20  3  f 153.049 2.3679 1158.63  35.770  1185.13  59.859  1143.91  44.612  154.486 3.9256 151.975 2.9740 2.510941       4.924954  
1 1 1 4   20  4  o 122.436 1.8569 740.799  22.440  758.629  32.107  723.773  31.375  123.818 2.6272 120.940 2.6284 2.877991       3.716218  
1 1 1 4   20  5  f 65.811  1.6168 213.959  10.503  203.765  15.473  222.667  14.302  64.183  2.4424 67.111  2.1591 -2.927567      3.259911  
1 1 1 4   20  6  o 225.950 7.4359 2571.90  165.835 2565.50  234.463 2578.31  234.589 223.303 10.638 223.878 10.616 -0.5751190     15.02866  
1 1 1 4   20  7  f 143.544 6.5796 1033.40  93.223  1015.59  131.668 1051.31  132.006 140.784 9.5315 143.330 9.3827 -2.546265      13.37477  
1 1 1 4   20  8  o 125.495 1.9417 778.344  24.051  785.256  35.404  772.420  32.774  125.948 2.8479 124.939 2.6577 1.008926       3.895384  
1 1 1 4   20  9  o 56.537  1.4533 157.877  8.1102  160.089  11.966  155.997  11.030  56.905  2.1304 56.180  1.9891 0.7256241      2.914688  
1 1 1 4   20  10 o 116.288 1.7807 668.200  20.438  668.677  28.946  667.726  28.862  116.257 2.5226 116.175 2.5170 0.8203125E-01  3.563522  
1 1 1 4   20  11 o 107.110 1.8005 566.926  19.035  528.617  26.259  609.356  27.634  103.358 2.5739 110.977 2.5228 -7.618690      3.604100  
1 1 1 4   20  12 o 225.417 3.0999 2517.59  68.972  2413.46  97.093  2623.66  97.995  220.241 4.4664 229.691 4.3224 -9.450012      6.215453  
1 1 1 4   20  13 o 39.777  3.4664 79.071   13.473  124.178  40.745  73.533   14.277  48.685  8.8030 38.294  3.8284 10.39091       9.599501  
1 1 1 4   20  14 o 42.279  1.2148 88.274   5.0693  73.542   7.1428  103.225  7.1955  38.572  1.8761 45.708  1.5949 -7.135815      2.462423  
1 1 1 4   20  15 o 67.994  6.5390 234.734  43.344  220.106  61.244  249.413  61.352  64.673  9.9100 69.196  9.2117 -4.523529      13.53012  
1 1 1 4   20  16 o 50.423  1.3767 125.595  6.8516  133.570  9.7385  117.777  9.6414  51.977  1.8982 48.803  2.0015 3.174309       2.758495  
1 1 1 4   20  17 o 54.764  1.1469 148.115  6.1997  147.963  8.7917  148.266  8.7439  54.716  1.6279 54.772  1.6174 -0.5645370E-01 2.294752  
1 1 1 4   20  18 o 17.972  1.3896 16.054   2.4459  31.735   3.6969  3.8469   3.2618  25.298  1.4871 9.1127  3.0661 16.18513       3.407672  
1 1 1 4   20  19 o 31.705  0.9063 49.635   2.8360  55.836   4.0434  43.632   3.9787  33.619  1.2185 29.715  1.3565 3.903868       1.823467  
1 1 1 4   20  20 o 71.143  2.3299 250.881  16.361  259.565  24.854  244.241  21.734  72.169  3.4890 70.071  3.1425 2.098465       4.695600  
1 1 1 4   20  21 o 51.877  2.8637 134.262  14.607  138.745  22.218  130.849  19.384  52.381  4.3364 50.982  3.8813 1.399010       5.819679  
1 1 1 4   20  22 o 60.851  7.0429 195.334  41.519  176.630  57.391  215.873  60.140  55.489  10.867 61.982  10.184 -6.492641      14.89344  
1 1 1 4   20  23 o 73.562  6.6968 285.100  48.092  295.503  68.746  275.129  67.301  72.352  9.8849 69.610  10.089 2.742416       14.12478  
1 1 1 4   20  24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   20  25 o 37.099  3.6073 69.983   13.042  73.022   19.752  67.635   17.367  37.193  5.5502 35.978  5.0278 1.214878       7.488874  
1 1 1 4   21  0  o 57.364  1.5850 162.699  8.9741  166.624  12.941  159.062  12.456  57.996  2.2606 56.668  2.2269 1.327976       3.173251  
1 1 1 4   21  1  o 69.664  1.5009 239.861  10.320  234.293  14.360  245.807  14.841  68.801  2.1147 70.469  2.1337 -1.668495      3.004069  
1 1 1 4   21  2  o 61.339  1.5932 185.960  9.6456  192.225  13.960  180.237  13.343  62.316  2.2696 60.344  2.2402 1.972134       3.188951  
1 1 1 4   21  3  o 228.251 2.9088 2582.72  65.533  2628.56  92.757  2537.03  92.598  229.766 4.0900 225.698 4.1566 4.068253       5.831440  
1 1 1 4   21  4  o 91.553  1.6616 414.224  15.015  402.271  21.192  426.273  21.277  90.157  2.3815 92.814  2.3225 -2.657013      3.326487  
1 1 1 4   21  5  o 110.229 6.4386 613.258  69.748  623.612  98.826  602.982  98.452  109.915 9.1937 108.002 9.3270 1.912788       13.09639  
1 1 1 4   21  6  o 141.491 2.1347 990.060  29.813  986.302  40.474  994.517  44.081  141.098 2.9062 141.636 3.1531 -0.5383453     4.288126  
1 1 1 4   21  7  o 62.891  1.7853 195.481  11.083  207.997  16.284  184.682  15.126  64.826  2.5450 61.087  2.5087 3.738655       3.573550  
1 1 1 4   21  8  o 103.574 1.7717 530.164  18.113  520.500  26.251  538.945  25.024  102.543 2.5936 104.363 2.4292 -1.820267      3.553565  
1 1 1 4   21  9  o 48.289  1.3503 115.174  6.4358  99.361   9.3916  129.173  8.8369  44.825  2.1227 51.125  1.7512 -6.300457      2.751825  
1 1 1 4   21  10 o 34.691  2.4423 59.848   8.3092  53.285   10.786  69.431   13.033  32.598  3.4022 37.229  3.5913 -4.630558      4.946972  
1 1 1 4   21  11 o 68.272  1.8900 230.420  12.736  222.919  18.093  237.786  17.931  67.091  2.7322 69.302  2.6214 -2.210754      3.786423  
1 1 1 4   21  12 o 131.299 2.0232 852.476  26.220  807.311  36.509  900.585  37.680  127.642 2.8979 134.826 2.8314 -7.184418      4.051510  
1 1 1 4   21  13 o 47.965  7.1358 118.756  32.754  128.727  46.204  108.682  46.440  49.109  9.8743 44.833  10.652 4.275555       14.52460  
1 1 1 4   21  14 o 54.693  6.8485 153.424  36.160  124.371  50.675  183.565  51.616  47.848  10.965 59.105  9.1427 -11.25665      14.27629  
1 1 1 4   21  15 o 102.061 1.8612 515.064  18.749  520.723  26.927  509.738  26.122  102.517 2.6611 101.438 2.6090 1.079361       3.726641  
1 1 1 4   21  16 o 92.767  2.0552 425.791  18.818  465.097  27.321  390.310  25.957  96.840  2.8583 88.696  2.9650 8.143356       4.118361  
1 1 1 4   21  17 o 93.820  2.1223 435.704  19.654  457.467  28.573  416.161  27.076  95.989  3.0158 91.556  2.9962 4.432602       4.251120  
1 1 1 4   21  18 o 39.891  3.4078 79.779   13.289  92.175   19.471  68.969   18.182  42.618  4.7072 36.680  5.1651 5.937859       6.988282  
1 1 1 4   21  19 f 27.553  4.4233 39.004   11.622  43.605   17.299  35.219   15.692  28.716  6.2783 25.786  6.2339 2.929398       8.847553  
1 1 1 4   21  20 o 54.835  2.5917 149.405  14.027  149.019  20.985  149.718  18.860  54.390  3.9355 54.629  3.5163 -0.2390480     5.277557  
1 1 1 4   21  21 o 51.848  7.5878 144.125  37.682  144.423  52.736  143.813  53.863  49.854  11.011 49.576  11.264 0.2781143      15.75144  
1 1 1 4   21  22 o 61.767  1.8931 189.227  11.542  200.930  16.321  177.519  16.324  63.508  2.6036 59.656  2.7723 3.851646       3.803214  
1 1 1 4   21  23 o 72.125  2.4731 259.160  17.606  262.840  26.329  256.184  23.678  72.123  3.7111 71.427  3.3586 0.6964645      5.005186  
1 1 1 4   21  24 o 84.333  2.0778 353.537  17.296  379.510  28.498  338.391  21.762  86.891  3.3229 82.311  2.6786 4.579521       4.268063  
1 1 1 4   21  25 o 18.968  6.7979 17.426   16.158  19.933   19.333  11.616   29.430  20.313  7.4138 20.646  8.6323 -0.3329601     11.37897  
1 1 1 4   22  0  o 75.963  1.5366 285.429  11.521  298.132  16.780  274.099  15.847  77.544  2.1923 74.358  2.1591 3.185997       3.077032  
1 1 1 4   22  1  o 65.202  1.5686 210.275  10.095  203.776  14.519  216.358  14.046  64.105  2.2946 66.074  2.1538 -1.968010      3.147085  
1 1 1 4   22  2  o 35.452  2.3126 62.562   8.0479  64.901   10.957  59.822   11.859  35.989  3.1154 34.464  3.5363 1.525028       4.712860  
1 1 1 4   22  3  o 20.799  4.0973 22.348   8.1123  26.373   15.647  20.868   9.4871  22.530  6.6070 19.997  4.8552 2.533039       8.199167  
1 1 1 4   22  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   22  5  f 81.293  1.7470 326.776  14.018  340.167  20.602  315.233  19.128  82.855  2.5192 79.772  2.4293 3.083138       3.499700  
1 1 1 4   22  6  o 5.3873  2.2990 -0.0679  2.1586  -0.4278  2.1957  10.330   11.802  5.2212  2.2738 15.848  5.7914 -10.62660      6.221746  
1 1 1 4   22  7  o 44.051  1.6286 95.915   7.0812  101.779  17.197  94.717   7.7706  45.050  3.9060 43.768  1.7987 1.282120       4.300264  
1 1 1 4   22  8  o 26.927  1.5476 35.950   4.0958  34.959   4.3457  43.823   12.255  26.542  1.6673 29.332  4.3659 -2.789614      4.673454  
1 1 1 4   22  9  o 122.035 2.0813 736.760  25.069  716.324  35.423  757.264  35.483  120.176 2.9863 123.578 2.9090 -3.402267      4.169015  
1 1 1 4   22  10 o 46.338  1.3884 106.083  6.3500  105.329  8.9668  106.842  8.9938  46.147  1.9686 46.478  1.9605 -0.3307037     2.778274  
1 1 1 4   22  11 o 86.802  1.8027 372.542  15.445  370.946  21.672  374.190  22.018  86.536  2.5372 86.910  2.5667 -0.3737869     3.609067  
1 1 1 4   22  12 o 43.452  7.5554 98.825   31.228  103.001  44.342  94.715   43.985  43.484  10.459 41.650  10.656 1.833305       14.93122  
1 1 1 4   22  13 o 140.656 6.7166 1003.69  93.249  1024.03  133.125 984.103  130.658 139.741 9.7120 136.966 9.7280 2.775070       13.74620  
1 1 1 4   22  14 o 17.771  5.3968 15.987   10.299  14.093   15.165  17.608   14.031  18.158  6.5756 19.099  6.3588 -0.9413757     9.147272  
1 1 1 4   22  15 o 165.224 4.9752 1370.72  81.136  1981.78  225.948 1280.26  86.935  190.586 12.074 159.360 5.5269 31.22601       13.27841  
1 1 1 4   22  16 o 38.603  1.8614 73.739   7.0925  102.303  20.264  69.751   7.5714  44.933  4.6356 37.478  2.0546 7.454739       5.070557  
1 1 1 4   22  17 o 56.851  2.3900 160.287  13.411  141.431  19.625  176.808  18.370  53.081  3.7702 59.523  3.1378 -6.441883      4.905092  
1 1 1 4   22  18 o 29.077  1.2625 41.791   3.6234  43.574   5.1143  39.995   5.1342  29.618  1.7573 28.361  1.8441 1.256596       2.547291  
1 1 1 4   22  19 o 41.888  3.0517 87.939   12.531  105.700  18.749  73.600   16.846  45.650  4.2083 37.919  4.5947 7.731239       6.230646  
1 1 1 4   22  20 o 64.029  7.1339 217.682  44.319  211.047  62.588  224.354  62.766  60.372  10.905 62.582  10.535 -2.209965      15.16251  
1 1 1 4   22  21 o 71.091  2.0958 251.037  14.706  263.684  20.833  238.476  20.763  72.645  2.9054 69.043  3.0467 3.601883       4.209934  
1 1 1 4   22  22 o 17.532  1.3325 15.300   2.2885  25.759   3.8494  9.5829   2.8461  22.726  1.7291 13.717  2.1746 9.008450       2.778240  
1 1 1 4   22  23 o 19.625  6.3294 20.142   13.951  16.301   21.924  22.756   18.084  19.972  7.7589 21.043  7.2186 -1.070297      10.59757  
1 1 1 4   22  24 o 37.596  4.6333 73.607   16.830  68.104   20.069  86.643   30.892  35.572  5.9244 38.819  8.3131 -3.246487      10.20815  
1 1 1 4   23  0  o 100.541 1.7254 500.555  17.122  504.058  24.050  496.953  24.383  100.728 2.4189 100.002 2.4703 0.7265701      3.457372  
1 1 1 4   23  1  o 22.629  3.4845 26.181   7.5333  31.994   11.447  21.740   10.005  24.740  4.8612 20.317  5.0187 4.422913       6.987057  
1 1 1 4   23  2  f 41.627  2.8215 86.635   11.524  136.401  41.779  82.536   11.990  49.968  8.7920 40.588  3.0143 9.380001       9.294341  
1 1 1 4   23  3  o 80.415  7.6055 340.484  59.650  335.188  73.101  351.037  103.192 78.332  9.6593 76.172  14.249 2.160042       17.21438  
1 1 1 4   23  4  o 19.104  4.0612 18.970   7.4221  9.4538   10.684  27.846   10.318  15.051  5.5087 23.114  4.6831 -8.063007      7.230309  
1 1 1 4   23  5  o 86.230  1.7710 367.988  15.073  369.973  21.840  366.182  20.829  86.330  2.5630 85.907  2.4564 0.4230270      3.550073  
1 1 1 4   23  6  o 38.876  1.5782 74.743   6.0558  74.774   6.6547  74.596   14.607  38.875  1.7343 38.443  3.9037 0.4323387      4.271593  
1 1 1 4   23  7  o 79.782  1.8596 315.002  14.644  322.612  20.803  307.528  20.616  80.631  2.6140 78.717  2.6534 1.914047       3.724719  
1 1 1 4   23  8  o 4.8494  1.8915 0.6969   1.3070  0.7211   1.3130  -1.9098  13.642  4.8814  1.8981 13.039  5.6731 -8.158077      5.982170  
1 1 1 4   23  9  o 79.970  1.8095 316.398  14.283  318.258  21.315  314.883  19.242  80.083  2.6965 79.696  2.4461 0.3868179      3.640687  
1 1 1 4   23  10 o 32.607  1.2568 52.536   4.0451  64.713   15.617  51.660   4.1880  35.660  4.5397 32.333  1.3123 3.327557       4.725592  
1 1 1 4   23  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   23  12 o 68.782  1.8761 234.132  12.737  234.032  15.684  234.327  21.829  68.718  2.3123 68.625  3.2226 0.9253693E-01  3.966339  
1 1 1 4   23  13 o 27.501  4.9829 39.195   13.028  27.734   18.709  49.982   18.151  23.243  7.3120 30.834  6.1794 -7.591505      9.573378  
1 1 1 4   23  14 o 44.071  1.3913 96.014   6.0521  110.437  8.5456  81.500   8.5723  47.236  1.8329 40.499  2.1522 6.736458       2.826911  
1 1 1 4   23  15 o 66.335  2.2189 218.165  14.528  236.051  21.561  203.292  19.661  68.835  3.1734 63.891  3.1178 4.944309       4.448719  
1 1 1 4   23  16 o 117.723 6.7477 717.799  78.079  715.393  110.360 720.210  110.480 114.539 9.8577 114.954 9.8316 -0.4146652     13.92246  
1 1 1 4   23  17 o 31.586  1.2716 49.327   3.9643  54.618   5.6449  44.177   5.5686  33.166  1.7303 29.798  1.9033 3.368244       2.572255  
1 1 1 4   23  18 o 62.111  2.1510 191.510  13.187  185.959  14.300  223.048  34.086  61.166  2.3687 65.878  5.2866 -4.711216      5.792992  
1 1 1 4   23  19 o 46.787  8.0907 120.568  36.012  99.571   51.821  140.178  50.080  40.143  12.087 48.760  10.699 -8.617271      16.14208  
1 1 1 4   23  20 o 39.994  1.9676 79.429   7.7674  134.380  28.264  74.940   8.0785  50.582  5.7641 38.772  2.1190 11.81017       6.141213  
1 1 1 4   23  21 o 55.109  1.6323 150.580  8.8790  148.066  9.2046  184.243  33.681  54.636  1.7069 59.126  5.8480 -4.490540      6.092019  
1 1 1 4   23  22 f 51.920  2.0981 134.129  10.752  164.283  43.000  132.118  11.105  53.914  8.3503 51.512  2.1841 2.402279       8.631229  
1 1 1 4   23  23 o 42.936  5.5689 98.008   23.045  101.907  33.294  94.422   31.929  42.070  8.3125 40.486  8.2696 1.584530       11.72535  
1 1 1 4   24  1  o 61.763  2.6431 190.024  16.113  0.0000   0.0000  190.024  16.113  ?       ?      61.763  2.6431 0.000000       2.643141  
1 1 1 4   24  2  o 34.113  7.7972 64.002   25.681  68.391   36.458  59.679   36.180  34.513  10.075 32.421  10.163 2.091579       14.31073  
1 1 1 4   24  3  o 46.281  2.1004 106.290  9.5950  108.759  13.798  103.978  13.352  46.587  3.0169 45.554  2.9860 1.032688       4.244763  
1 1 1 4   24  4  o 56.551  1.5951 158.327  8.9038  163.594  11.241  149.456  14.587  57.435  1.9828 54.785  2.6976 2.650551       3.347904  
1 1 1 4   24  5  o 45.847  2.0783 104.278  9.4051  104.499  14.057  104.098  12.655  45.641  3.1395 45.623  2.8241 0.1757813E-01  4.222773  
1 1 1 4   24  6  o 70.105  1.6928 243.358  11.714  245.310  15.352  240.637  18.122  70.302  2.2124 69.546  2.6400 0.7565079      3.444449  
1 1 1 4   24  7  o 117.570 1.9989 685.242  23.196  673.701  32.952  696.577  32.658  116.299 2.8706 118.285 2.7972 -1.985512      4.008092  
1 1 1 4   24  8  o 92.549  1.7680 424.156  16.151  434.151  23.622  415.382  22.132  93.459  2.5607 91.443  2.4520 2.015572       3.545369  
1 1 1 4   24  9  o 42.926  7.7595 99.172   31.666  84.006   44.853  114.244  44.713  38.185  11.183 44.887  10.309 -6.702431      15.21003  
1 1 1 4   24  10 o 64.240  6.8468 215.771  42.745  192.997  60.200  238.928  60.703  58.370  10.848 65.952  9.6073 -7.581860      14.49086  
1 1 1 4   24  11 o 67.645  1.8526 226.650  12.369  255.912  21.733  212.628  15.044  71.651  3.0729 65.450  2.3287 6.201057       3.855615  
1 1 1 4   24  12 o 86.901  1.9867 374.297  17.040  379.145  25.460  370.362  22.935  87.236  2.9569 86.289  2.6928 0.9468765      3.999301  
1 1 1 4   24  13 o 65.364  1.8146 211.637  11.707  216.189  14.276  202.292  20.457  66.007  2.1912 63.559  3.2720 2.448174       3.937920  
1 1 1 4   24  14 o 80.555  2.2178 322.124  17.634  329.894  25.348  314.836  24.548  81.278  3.1596 79.409  3.1319 1.868538       4.448804  
1 1 1 4   24  15 o 8.7826  1.9152 3.9726   1.6135  10.522   2.5415  -0.4492  2.0883  14.458  1.8213 5.0596  2.2100 9.398611       2.863813  
1 1 1 4   24  16 o 34.276  1.5828 58.180   5.3547  65.949   7.3948  49.616   7.7642  36.391  2.0673 31.472  2.5206 4.919184       3.259913  
1 1 1 4   24  17 o 82.526  6.9210 362.171  55.855  353.344  78.837  371.068  79.146  78.061  10.498 80.317  10.215 -2.256607      14.64763  
1 1 1 4   24  18 o 44.954  7.7328 111.623  33.074  97.228   45.832  127.267  47.776  39.714  11.205 45.943  10.730 -6.229954      15.51373  
1 1 1 4   24  19 o 37.563  0.9875 69.754   3.6614  76.521   5.1852  63.023   5.1708  39.315  1.3362 35.667  1.4688 3.647278       1.985623  
1 1 1 4   24  20 o 23.663  1.4965 27.859   3.4771  38.028   4.9928  18.283   4.8453  27.610  1.8427 18.943  2.6652 8.667173       3.240149  
1 1 1 4   24  21 o 22.439  1.0717 24.907   2.3736  26.543   2.8053  20.785   4.4530  23.123  1.2336 20.297  2.2612 2.826818       2.575821  
1 1 1 4   24  22 o 15.360  5.8686 9.5576   12.395  24.869   19.505  -0.8130  16.053  21.622  7.4923 14.026  6.1270 7.595255       9.678538  
1 1 1 4   24  23 o 21.063  8.2724 20.280   25.139  9.7830   36.131  30.129   35.000  21.282  9.2457 24.402  9.7044 -3.119898      13.40367  
1 1 1 4   25  3  o 76.141  2.4067 288.663  18.087  289.744  21.433  285.988  33.712  76.148  2.8516 74.796  4.5886 1.352135       5.402487  
1 1 1 4   25  4  o 75.441  1.8237 282.257  13.580  284.057  19.281  280.486  19.129  75.495  2.5874 75.020  2.5834 0.4750061      3.656305  
1 1 1 4   25  5  o 48.557  2.3766 117.307  11.390  109.291  18.695  122.040  14.364  46.321  4.1322 49.331  2.9639 -3.009247      5.085257  
1 1 1 4   25  6  o 75.722  1.7586 284.235  13.144  298.207  18.035  268.405  19.197  77.424  2.3600 73.377  2.6505 4.046837       3.548904  
1 1 1 4   25  7  o 23.936  4.1864 29.771   9.5306  28.572   13.899  30.836   13.093  23.041  6.0385 24.002  5.6250 -0.9601002     8.252509  
1 1 1 4   25  8  o 106.776 6.7494 601.474  70.767  599.639  98.971  603.394  101.226 102.977 9.8577 103.000 10.086 -0.2346802E-01 14.10349  
1 1 1 4   25  9  o 15.002  6.1798 4.7074   14.769  -9.6691  17.565  39.395   27.284  13.247  6.0463 26.899  8.8629 -13.65238      10.72887  
1 1 1 4   25  10 o 39.934  3.1705 80.320   12.394  77.353   17.391  83.382   17.667  38.743  4.6401 40.285  4.5213 -1.541435      6.478601  
1 1 1 4   25  11 o 78.894  1.9182 308.828  14.938  293.751  19.122  332.435  23.927  76.795  2.5227 81.550  2.9726 -4.754745      3.898735  
1 1 1 4   25  12 o 63.479  2.5390 200.772  15.909  194.059  21.280  209.276  23.952  62.055  3.4884 64.332  3.7889 -2.276321      5.150231  
1 1 1 4   25  13 f 36.811  3.5243 68.728   12.648  66.960   18.362  70.324   17.448  35.710  5.3762 36.781  4.9301 -1.071175      7.294468  
1 1 1 4   25  14 f 93.659  1.9673 435.583  18.186  439.654  25.441  431.329  26.008  93.823  2.7472 92.894  2.8365 0.9290009      3.948766  
1 1 1 4   25  15 o 10.079  2.2792 5.2562   2.2144  0.9023   2.9391  10.972   3.3675  6.8164  2.7763 14.652  2.4125 -7.835916      3.678002  
1 1 1 4   25  16 o 61.024  7.6743 204.933  45.202  200.011  64.969  209.551  62.930  56.276  12.059 58.414  11.323 -2.138557      16.54209  
1 1 1 4   25  17 o 27.555  8.9854 43.417   28.070  48.812   40.961  38.640   38.544  29.248  10.774 27.127  10.353 2.120895       14.94159  
1 1 1 4   25  18 o 87.435  3.2897 385.289  28.390  353.214  29.941  671.078  89.373  83.527  3.6317 109.188 8.3562 -25.66007      9.111309  
1 1 1 4   25  19 o 20.030  1.4476 19.988   2.8427  14.615   3.9600  25.700   4.0831  16.938  2.4390 22.668  1.8408 -5.729815      3.055709  
1 1 1 4   25  20 f 19.151  6.5050 19.067   14.683  12.879   22.883  23.398   19.144  19.141  7.7652 21.129  7.4168 -1.988035      10.73807  
1 1 1 4   25  21 o 16.010  5.9338 11.578   12.461  14.652   17.954  8.7211   17.309  18.305  7.0464 16.585  6.7442 1.719587       9.753712  
1 1 1 4   26  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   26  6  o 12.095  5.2837 -1.4706  11.941  1.2653   23.487  -2.4242  13.866  17.266  7.4777 12.822  5.6451 4.444077       9.369271  
1 1 1 4   26  7  o 40.019  8.2206 90.598   31.385  80.791   44.819  100.035  43.964  36.025  11.315 40.346  10.818 -4.321495      15.65404  
1 1 1 4   26  8  o 46.411  2.7934 108.102  12.737  92.901   17.750  124.236  18.287  42.525  4.2875 49.436  3.7762 -6.911839      5.713347  
1 1 1 4   26  9  o 72.084  2.1715 258.525  15.450  230.953  20.566  294.244  23.408  67.858  3.0705 76.583  3.0967 -8.725288      4.360910  
1 1 1 4   26  10 o 46.448  1.7660 107.053  8.0965  109.193  8.9659  97.595   18.848  46.884  1.9375 43.518  4.4506 3.365940       4.854045  
1 1 1 4   26  11 o 29.207  1.6453 42.435   4.7238  42.615   5.0125  41.003   14.123  29.255  1.7438 27.713  5.3568 1.542078       5.633517  
1 1 1 4   26  12 o 80.321  2.6285 322.411  20.839  319.623  35.118  323.926  25.889  78.895  4.5287 80.236  3.2690 -1.341072      5.585320  
1 1 1 4   26  13 o 51.412  1.9379 131.365  9.8338  124.783  11.218  153.214  20.438  50.042  2.2711 54.859  3.7977 -4.817566      4.425026  
1 1 1 4   26  14 o 33.001  1.3484 53.938   4.3924  60.089   6.1116  47.366   6.3170  34.741  1.7883 30.781  2.0916 3.960558       2.751932  
1 1 1 4   26  15 o 25.041  8.7712 34.480   26.767  36.411   37.533  32.482   38.185  26.411  10.182 25.761  10.171 0.6495762      14.39153  
1 1 1 4   26  16 o 19.879  6.0158 21.330   12.814  17.467   18.608  24.813   17.671  19.380  7.2377 21.486  7.1351 -2.105959      10.16337  
1 1 1 4   26  17 o 75.883  2.4977 288.068  18.708  281.004  21.040  314.738  40.883  74.795  2.8499 77.280  5.3935 -2.484924      6.100178  
1 1 1 4   26  18 o 37.177  1.3299 68.492   4.8801  69.239   6.9930  67.783   6.8135  37.251  1.9083 36.862  1.8789 0.3888435      2.678010  
1 1 1 4   26  19 o 26.799  1.7522 35.863   4.6092  35.863   4.6092  0.0000   0.0000  26.799  1.7522 ?       ?      0.000000       1.752193  
1 1 1 4   26  20 o 30.666  9.2264 59.349   30.205  83.245   45.282  40.193   40.542  34.347  11.423 26.321  10.452 8.025892       15.48278  
1 1 1 4   27  9  o 46.687  1.8633 108.385  8.5866  105.826  9.4007  121.268  21.094  46.093  2.0663 48.348  4.4709 -2.255505      4.925279  
1 1 1 4   27  10 o 13.761  1.5100 9.5036   2.0173  14.172   2.9776  5.5429   2.7426  16.788  1.8264 10.326  2.6709 6.461985       3.235606  
1 1 1 4   27  11 o 21.364  6.2591 25.082   14.048  25.697   19.490  24.417   20.267  21.872  7.4941 21.575  7.6259 0.2964497      10.69191  
1 1 1 4   27  12 o 43.723  3.6210 97.701   15.486  97.050   21.574  98.392   22.243  42.813  5.2128 43.035  5.3522 -0.2216949     7.471258  
1 1 1 4   27  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   27  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 4   27  15 o 27.964  5.7560 42.953   15.358  30.169   22.254  54.577   21.221  23.227  8.0054 30.888  7.1083 -7.661146      10.70581  
1 1 1 4   27  16 o 63.954  2.2276 204.434  14.062  209.512  39.522  203.698  15.046  61.549  6.6090 63.778  2.3901 -2.228237      7.027964  
1 1 1 4   27  17 o 27.073  9.3843 45.329   30.602  44.620   43.424  46.028   43.132  27.202  10.812 27.425  10.815 -0.2232761     15.29283  
1 1 1 5   -23 0  o 42.449  7.9345 100.906  32.022  85.786   45.464  115.791  45.110  37.010  11.359 43.642  10.582 -6.631760      15.52383  
1 1 1 5   -22 0  o 40.137  7.9234 88.743   30.276  105.156  43.382  73.159   42.273  42.326  10.447 35.213  10.977 7.113049       15.15382  
1 1 1 5   -22 1  o 58.498  7.0672 182.881  39.979  179.791  56.478  185.983  56.599  55.422  10.712 56.537  10.530 -1.115719      15.02094  
1 1 1 5   -22 2  o 57.864  2.3570 166.614  13.462  153.389  20.545  176.564  17.820  55.035  3.8054 59.326  3.0536 -4.291241      4.879075  
1 1 1 5   -21 0  o 32.683  1.0966 52.791   3.5376  50.982   4.9288  54.714   5.0805  32.096  1.5558 33.250  1.5480 -1.154339      2.194761  
1 1 1 5   -21 1  o 39.714  1.4357 78.028   5.6277  75.697   6.5737  84.426   10.889  39.096  1.7035 41.095  2.6996 -1.999008      3.192101  
1 1 1 5   -21 2  o 49.706  1.3383 122.200  6.5657  107.387  11.365  129.619  8.0438  46.407  2.4903 51.170  1.5926 -4.762676      2.955994  
1 1 1 5   -21 3  o 55.987  1.5100 155.139  8.3447  148.551  10.566  166.061  13.604  54.733  1.9558 57.802  2.3845 -3.068989      3.083991  
1 1 1 5   -21 4  o 60.765  1.5272 182.788  9.1599  174.344  11.836  195.395  14.463  59.276  2.0231 62.696  2.3372 -3.419956      3.091129  
1 1 1 5   -20 0  o 23.840  3.2834 28.825   7.5212  18.495   10.750  38.731   10.527  18.902  5.4573 27.554  3.9866 -8.652220      6.758372  
1 1 1 5   -20 1  o 28.767  1.0816 40.886   3.0713  39.809   4.3454  41.962   4.3414  28.326  1.5602 29.089  1.5173 -0.7625217     2.176364  
1 1 1 5   -20 2  o 30.000  1.4404 44.508   4.2650  44.727   4.6403  43.318   10.826  30.027  1.5712 29.168  3.8546 0.8580971      4.162466  
1 1 1 5   -20 3  o 35.423  2.0772 62.420   7.2309  49.922   9.5623  79.112   11.051  31.494  3.1170 39.771  2.8336 -8.276714      4.212494  
1 1 1 5   -20 4  o 46.317  1.7836 106.241  8.1542  107.882  11.566  104.618  11.498  46.526  2.5280 45.810  2.5531 0.7158279      3.592913  
1 1 1 5   -20 5  o 36.230  1.4227 64.928   5.0878  64.239   5.7725  67.329   10.770  36.025  1.6234 36.630  3.0053 -0.6053467     3.415739  
1 1 1 5   -20 6  o 69.046  1.6078 236.018  10.957  228.327  15.439  243.824  15.554  67.799  2.3071 70.073  2.2489 -2.274284      3.221799  
1 1 1 5   -19 0  o 36.039  1.0626 64.144   3.7799  65.565   5.3692  62.747   5.3221  36.424  1.4934 35.632  1.5133 0.7922363      2.126107  
1 1 1 5   -19 1  o 28.973  1.5144 41.603   4.3158  46.323   10.340  40.607   4.7493  30.313  3.5215 28.608  1.6894 1.705395       3.905821  
1 1 1 5   -19 2  f 42.353  1.2132 88.622   5.0717  87.101   7.1917  90.127   7.1533  41.964  1.7363 42.689  1.6977 -0.7247276     2.428335  
1 1 1 5   -19 3  o 31.396  1.4877 48.734   4.6101  60.652   9.8811  45.418   5.2121  34.819  2.9015 30.248  1.7533 4.570992       3.390127  
1 1 1 5   -19 4  o 50.011  1.5807 123.713  7.8028  121.023  11.061  126.378  11.009  49.406  2.2682 50.493  2.2089 -1.087193      3.166064  
1 1 1 5   -19 5  o 59.182  1.5558 173.257  9.0879  176.351  12.788  170.100  12.918  59.642  2.1722 58.568  2.2346 1.074463       3.116402  
1 1 1 5   -19 6  o 119.164 1.7876 703.018  21.026  707.742  29.503  698.141  29.973  119.382 2.5038 118.552 2.5615 0.8296204      3.581907  
1 1 1 5   -19 7  o 63.932  3.2295 204.436  20.313  201.255  58.616  204.870  21.655  60.038  10.260 63.942  3.4439 -3.904190      10.82244  
1 1 1 5   -18 0  o 86.930  1.5834 373.371  13.586  353.903  19.074  393.418  19.356  84.581  2.2847 89.186  2.1988 -4.604805      3.170918  
1 1 1 5   -18 1  o 107.181 1.9756 568.014  20.900  587.151  25.170  525.520  37.507  108.930 2.3410 102.853 3.6946 6.077484       4.373817  
1 1 1 5   -18 2  o 49.719  1.2824 122.102  6.2932  122.065  7.4581  122.193  11.727  49.703  1.5202 49.684  2.3912 0.1854324E-01  2.833572  
1 1 1 5   -18 3  o 118.900 1.7958 699.012  21.075  695.785  30.538  701.946  29.122  118.501 2.6109 119.048 2.4784 -0.5468903     3.599858  
1 1 1 5   -18 4  o 22.603  1.4489 25.352   3.2155  25.295   3.4208  25.781   9.4224  22.569  1.5449 22.332  4.4310 0.2369366      4.692635  
1 1 1 5   -18 5  o 34.055  5.7667 60.163   18.692  0.0000   0.0000  60.163   18.692  ?       ?      34.055  5.7667 0.000000       5.766743  
1 1 1 5   -18 6  o 66.193  6.6862 226.345  43.086  224.950  61.182  227.718  60.686  64.324  9.9581 64.823  9.7898 -0.4981918     13.96443  
1 1 1 5   -18 7  o 97.240  6.5544 486.485  62.542  493.089  88.399  479.866  88.496  95.835  9.4690 94.402  9.6324 1.433212       13.50726  
1 1 1 5   -18 8  o 55.086  1.5398 150.085  8.3719  139.311  12.243  159.549  11.474  52.995  2.3406 56.747  2.0484 -3.752621      3.110366  
1 1 1 5   -18 9  o 41.134  1.8529 83.796   7.5229  82.167   10.075  85.848   11.310  40.594  2.5270 41.453  2.7802 -0.8588600     3.757057  
1 1 1 5   -17 0  o 47.248  1.4678 110.259  6.8452  102.501  8.3907  125.700  11.836  45.544  1.8665 50.415  2.3786 -4.871140      3.023532  
1 1 1 5   -17 1  o 36.633  1.2153 66.267   4.3942  70.999   4.9054  47.046   9.8865  37.917  1.3107 30.633  3.3230 7.283735       3.572204  
1 1 1 5   -17 2  o 134.601 1.8870 895.402  25.071  903.024  35.375  887.710  35.537  135.080 2.6532 133.924 2.6883 1.155289       3.777102  
1 1 1 5   -17 3  o 83.131  6.4601 349.130  52.591  354.785  74.509  343.514  74.241  82.817  9.2743 81.420  9.4114 1.396500       13.21313  
1 1 1 5   -17 4  o 112.792 6.5117 642.535  72.186  667.382  102.267 617.862  101.907 113.696 9.1916 109.179 9.5526 4.516167       13.25664  
1 1 1 5   -17 5  o 89.819  6.4522 409.094  56.821  412.332  80.529  405.883  80.185  88.918  9.3138 88.192  9.3543 0.7258148      13.20032  
1 1 1 5   -17 6  o 54.883  1.7738 148.951  9.6093  132.499  14.004  163.588  13.210  51.619  2.7586 57.476  2.3285 -5.856838      3.609947  
1 1 1 5   -17 7  o 86.568  1.5154 370.460  12.948  370.875  18.301  370.045  18.322  86.544  2.1425 86.447  2.1473 0.9750366E-01  3.033296  
1 1 1 5   -17 8  o 119.296 1.7314 704.041  20.388  744.375  29.102  665.171  28.570  122.528 2.4064 115.805 2.4994 6.723122       3.469555  
1 1 1 5   -17 9  o 38.020  1.8331 71.540   6.8791  70.698   9.5672  72.442   9.8984  37.655  2.5899 38.110  2.6479 -0.4551163     3.703855  
1 1 1 5   -17 10 o 92.337  1.5700 421.721  14.309  421.424  20.095  422.027  20.381  92.203  2.2080 92.263  2.2380 -0.6032562E-01 3.143899  
1 1 1 5   -16 0  o 13.408  1.5669 8.9999   2.0346  5.4356   12.881  9.0911   2.0604  14.720  5.8768 13.475  1.5791 1.244764       6.085230  
1 1 1 5   -16 1  o 215.947 10.505 2383.04  223.908 2449.68  317.025 2316.70  316.284 214.699 15.055 208.334 15.492 6.364944       21.60223  
1 1 1 5   -16 2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -16 3  o 78.056  6.4605 306.974  49.327  285.498  69.708  328.512  69.809  74.292  9.7409 80.026  8.9936 -5.734810      13.25786  
1 1 1 5   -16 4  o 90.386  1.5003 403.518  13.385  385.992  18.892  421.182  18.967  88.362  2.1661 92.308  2.0817 -3.946114      3.004235  
1 1 1 5   -16 5  o 60.441  2.0329 180.584  12.128  274.243  58.313  176.350  12.399  73.142  8.2195 59.724  2.1033 13.41792       8.484375  
1 1 1 5   -16 6  o 107.100 1.5836 566.733  16.740  559.629  23.464  574.097  23.890  106.366 2.2350 107.731 2.2467 -1.364891      3.169030  
1 1 1 5   -16 7  o 119.789 1.6909 709.255  19.993  705.619  28.187  712.936  28.361  119.391 2.3919 120.008 2.3943 -0.6170578     3.384367  
1 1 1 5   -16 8  o 140.617 1.9499 978.180  27.064  1020.39  38.324  936.188  38.225  143.460 2.7065 137.386 2.8188 6.073395       3.907774  
1 1 1 5   -16 9  o 62.595  1.3209 193.609  8.1612  208.117  11.908  180.758  11.207  64.857  1.8601 60.443  1.8786 4.414772       2.643694  
1 1 1 5   -16 10 o 78.635  1.3754 305.609  10.675  298.509  15.081  312.738  15.113  77.656  1.9676 79.491  1.9262 -1.834259      2.753481  
1 1 1 5   -16 11 o 91.861  1.4630 417.194  13.265  421.909  18.765  412.484  18.755  92.299  2.0597 91.258  2.0821 1.040192       2.928781  
1 1 1 5   -15 0  o 68.949  6.4219 239.341  43.202  265.681  61.221  213.213  60.973  72.090  8.7856 64.143  9.9532 7.946671       13.27598  
1 1 1 5   -15 1  o 183.024 2.7514 1656.73  49.704  1703.46  58.821  1540.05  92.944  185.515 3.2123 175.935 5.3522 9.579361       6.242241  
1 1 1 5   -15 2  o 26.801  2.3622 35.780   6.1848  42.333   8.7760  29.315   8.7176  29.083  3.1052 24.032  3.8016 5.051514       4.908612  
1 1 1 5   -15 3  o 113.873 1.6342 640.449  18.368  643.950  25.659  636.771  26.305  114.142 2.2775 113.498 2.3481 0.6434631      3.271148  
1 1 1 5   -15 4  o 87.290  1.5319 376.309  13.199  371.720  17.859  381.832  19.593  86.730  2.0862 87.892  2.2585 -1.161903      3.074534  
1 1 1 5   -15 5  f 126.937 1.7697 796.000  22.173  796.915  31.090  795.053  31.632  126.949 2.4812 126.796 2.5275 0.1530762      3.541822  
1 1 1 5   -15 6  o 105.425 2.1962 549.432  22.853  658.063  95.251  542.797  23.541  113.747 8.5463 104.780 2.2762 8.967216       8.844268  
1 1 1 5   -15 7  o 75.994  1.3296 285.210  9.9735  301.588  14.185  269.197  14.026  78.121  1.8396 73.802  1.9254 4.318932       2.662973  
1 1 1 5   -15 8  o 58.667  1.2749 169.988  7.3825  182.454  10.817  159.119  10.101  60.757  1.8037 56.739  1.8036 4.018147       2.550747  
1 1 1 5   -15 9  o 147.655 1.9908 1078.32  29.014  1105.06  41.128  1051.83  40.936  149.317 2.7906 145.663 2.8472 3.653625       3.986769  
1 1 1 5   -15 10 o 108.224 1.6263 579.030  17.373  586.534  24.470  571.404  24.668  108.833 2.2780 107.412 2.3267 1.420700       3.256186  
1 1 1 5   -15 11 o 20.768  2.5329 21.697   5.0845  24.238   7.0256  18.903   7.3678  21.823  3.3701 19.108  4.0332 2.715723       5.255920  
1 1 1 5   -15 12 o 71.882  1.3190 255.339  9.3584  278.836  13.261  232.030  13.208  75.074  1.7896 68.468  1.9545 6.606514       2.650040  
1 1 1 5   -14 0  f 187.787 2.8823 1744.03  53.424  1717.69  75.554  1770.38  75.552  186.160 4.1118 189.006 4.0498 -2.845779      5.771346  
1 1 1 5   -14 1  o 68.558  1.3296 232.069  8.9972  244.478  12.575  219.055  12.878  70.354  1.8108 66.590  1.9594 3.763145       2.668025  
1 1 1 5   -14 2  o 79.836  1.3771 314.715  10.852  320.122  14.743  308.323  16.031  80.503  1.8554 78.998  2.0560 1.505554       2.769400  
1 1 1 5   -14 3  o 228.664 2.9328 2586.28  66.193  2566.16  97.644  2603.39  90.041  227.467 4.3490 229.203 3.9800 -1.735825      5.895299  
1 1 1 5   -14 4  o 90.498  1.3981 404.399  12.489  416.552  17.376  391.411  17.963  91.827  1.9171 89.007  2.0446 2.820129       2.802828  
1 1 1 5   -14 5  o 27.468  1.0430 37.246   2.8278  36.783   2.9787  41.464   8.9988  27.296  1.1056 28.766  3.2248 -1.470264      3.409060  
1 1 1 5   -14 6  f 99.991  1.5484 493.766  15.282  511.738  21.452  475.250  21.775  101.763 2.1357 98.061  2.2497 3.702126       3.102015  
1 1 1 5   -14 7  o 123.124 2.3192 749.394  28.185  674.422  111.287 754.533  29.135  114.782 9.9203 123.539 2.3893 -8.757118      10.20400  
1 1 1 5   -14 8  o 116.941 1.6464 675.524  19.003  694.597  26.976  656.737  26.774  118.526 2.3059 115.246 2.3537 3.279930       3.294994  
1 1 1 5   -14 9  o 51.734  1.2894 132.177  6.5839  128.801  9.4359  135.380  9.1911  51.050  1.8726 52.341  1.7790 -1.291195      2.582986  
1 1 1 5   -14 10 o 52.161  1.1966 134.368  6.1608  135.801  8.6096  132.864  8.8196  52.421  1.6640 51.848  1.7234 0.5724983      2.395602  
1 1 1 5   -14 11 o 133.681 1.9081 883.870  25.177  933.278  35.843  835.746  35.374  137.229 2.6462 129.837 2.7603 7.392136       3.823798  
1 1 1 5   -14 12 o 25.427  1.7995 32.137   4.4872  36.198   6.5668  28.580   6.1458  26.912  2.5008 23.863  2.6543 3.048740       3.646780  
1 1 1 5   -14 13 o 42.993  1.3151 91.334   5.5808  93.744   7.4102  88.177   8.4830  43.537  1.7244 42.207  2.0363 1.330273       2.668319  
1 1 1 5   -14 14 o 59.501  6.8219 183.397  39.341  178.068  55.733  188.689  55.540  56.994  10.286 58.910  9.9031 -1.916565      14.27815  
1 1 1 5   -13 0  o 56.463  1.0966 157.379  6.1113  152.617  8.6410  162.145  8.6442  55.594  1.5747 57.304  1.5283 -1.710068      2.194403  
1 1 1 5   -13 1  o 166.364 2.3080 1367.57  37.899  1341.74  59.635  1385.07  49.087  164.632 3.6699 167.358 2.9716 -2.725281      4.722110  
1 1 1 5   -13 2  o 79.955  1.3100 315.623  10.339  335.349  14.789  296.771  14.458  82.401  1.8184 77.514  1.8897 4.886757       2.622507  
1 1 1 5   -13 3  o 149.129 2.0537 1098.65  30.229  1078.56  41.008  1122.56  44.737  147.695 2.8130 150.657 3.0084 -2.962250      4.118699  
1 1 1 5   -13 4  o 303.640 3.6480 4564.65  109.332 4526.53  154.477 4602.91  154.761 301.879 5.1844 304.428 5.1504 -2.548950      7.307862  
1 1 1 5   -13 5  o 77.895  1.2683 299.569  9.7513  292.785  13.472  307.036  14.133  76.994  1.7727 78.844  1.8161 -1.849983      2.537822  
1 1 1 5   -13 6  o 102.593 1.4761 519.731  14.947  540.382  20.956  498.346  21.325  104.586 2.0301 100.430 2.1513 4.156593       2.957895  
1 1 1 5   -13 7  o 121.679 1.7302 731.267  20.781  760.727  29.421  701.941  29.355  124.061 2.4027 119.164 2.4958 4.896919       3.464349  
1 1 1 5   -13 8  o 22.545  7.6700 23.629   20.414  17.044   29.113  29.997   28.631  22.985  8.9377 25.832  9.0702 -2.846891      12.73385  
1 1 1 5   -13 9  o 109.156 1.5165 588.452  16.339  593.629  23.152  583.315  23.062  109.596 2.1402 108.639 2.1507 0.9569702      3.034129  
1 1 1 5   -13 10 o 20.141  1.9062 20.225   3.7443  17.745   5.2652  22.762   5.3258  18.707  2.9493 21.294  2.5870 -2.587471      3.923136  
1 1 1 5   -13 11 o 150.814 1.9833 1124.49  29.522  1134.40  41.761  1114.59  41.741  151.345 2.7956 150.013 2.8190 1.331680       3.970169  
1 1 1 5   -13 12 o 52.875  1.1686 138.079  6.0991  144.489  8.8061  132.169  8.4554  54.068  1.6501 51.711  1.6566 2.356682       2.338194  
1 1 1 5   -13 13 o 71.743  2.5386 255.057  17.977  210.101  60.303  259.441  18.833  62.611  10.102 72.345  2.6374 -9.733971      10.44022  
1 1 1 5   -13 14 o 79.965  6.4109 326.271  50.175  334.407  71.116  318.206  70.801  79.613  9.2207 77.517  9.4492 2.096359       13.20258  
1 1 1 5   -13 15 o 36.610  7.2487 70.984   25.267  65.128   35.745  76.831   35.720  34.540  9.9455 37.445  9.6148 -2.905430      13.83325  
1 1 1 5   -12 0  o 109.887 1.5548 596.191  16.863  568.519  24.839  619.851  22.968  107.276 2.3458 112.027 2.0771 -4.750488      3.133241  
1 1 1 5   -12 1  o 188.644 2.6538 1758.61  49.413  1780.90  66.602  1731.33  73.696  189.734 3.5564 187.017 3.9924 2.717575       5.346654  
1 1 1 5   -12 2  o 134.097 1.9466 888.117  25.765  903.577  34.468  868.540  38.786  135.220 2.5825 132.544 2.9647 2.675751       3.931796  
1 1 1 5   -12 3  o 195.940 2.7147 1897.69  52.502  1886.71  74.014  1908.81  74.485  195.221 3.8411 196.361 3.8431 -1.139313      5.433535  
1 1 1 5   -12 4  o 143.334 2.0367 1014.84  28.815  992.881  41.056  1036.15  40.451  141.707 2.9353 144.771 2.8309 -3.064041      4.077953  
1 1 1 5   -12 5  o 66.179  1.2032 216.215  7.8597  206.068  11.209  226.031  11.024  64.596  1.7580 67.655  1.6509 -3.059235      2.411608  
1 1 1 5   -12 6  o 42.984  1.2159 91.215   5.1587  94.822   7.1820  87.371   7.4145  43.819  1.6605 42.060  1.7860 1.758900       2.438659  
1 1 1 5   -12 7  f 114.922 1.5738 652.172  17.852  646.541  25.151  657.890  25.344  114.392 2.2276 115.392 2.2252 -0.9997253     3.148582  
1 1 1 5   -12 8  o 40.186  1.0906 79.721   4.3260  87.993   5.5907  67.378   6.8290  42.216  1.3417 36.886  1.8820 5.330364       2.311283  
1 1 1 5   -12 9  o 66.773  6.4433 224.412  41.939  223.995  59.789  224.815  58.844  65.987  9.4496 66.161  9.2650 -0.1734619     13.23383  
1 1 1 5   -12 10 o 153.141 2.0133 1158.76  30.432  1168.56  42.989  1148.91  43.087  153.699 2.8337 152.397 2.8644 1.302063       4.029207  
1 1 1 5   -12 11 o 37.633  1.1999 69.929   4.4570  68.487   6.3939  71.292   6.2162  37.233  1.7398 37.990  1.6578 -0.7568321     2.403165  
1 1 1 5   -12 12 o 39.020  7.0011 78.882   25.974  71.334   36.968  86.240   36.500  36.645  9.9600 40.302  9.3557 -3.657036      13.66493  
1 1 1 5   -12 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -12 14 f 76.885  6.3888 300.834  48.044  314.379  68.143  287.445  67.748  77.452  9.0863 73.812  9.5209 3.639824       13.16088  
1 1 1 5   -12 15 o 15.571  6.0430 7.9461   13.289  6.5273   19.126  9.2703   18.478  17.371  7.0795 17.817  7.0620 -0.4455147     9.999575  
1 1 1 5   -11 0  o 134.175 1.7475 888.859  23.144  856.886  32.497  921.766  32.968  131.711 2.4997 136.609 2.4450 -4.897964      3.496660  
1 1 1 5   -11 1  o 84.310  1.3916 350.901  11.580  337.988  16.162  364.524  16.601  82.732  1.9792 85.919  1.9575 -3.186935      2.783690  
1 1 1 5   -11 2  o 112.773 1.6021 627.902  17.834  623.806  26.185  631.445  24.355  112.377 2.3607 113.071 2.1822 -0.6934128     3.214850  
1 1 1 5   -11 3  o 179.721 2.6465 1596.01  46.948  1648.98  59.798  1510.89  75.799  182.616 3.3175 174.676 4.3964 7.940292       5.507676  
1 1 1 5   -11 4  o 28.447  0.9834 39.943   2.7611  40.765   3.0345  35.990   6.6553  28.737  1.0698 26.869  2.5396 1.868429       2.755758  
1 1 1 5   -11 5  f 56.818  1.1288 159.363  6.3304  159.554  8.6492  159.142  9.2902  56.846  1.5415 56.770  1.6580 0.7570267E-01  2.263852  
1 1 1 5   -11 6  o 39.780  1.2749 78.122   5.0059  77.584   6.8471  78.739   7.3370  39.637  1.7502 39.929  1.8616 -0.2922783     2.555145  
1 1 1 5   -11 7  o 46.369  1.1692 106.140  5.3510  111.531  7.5906  100.814  7.5445  47.525  1.6181 45.183  1.6917 2.342125       2.340993  
1 1 1 5   -11 8  o 242.169 2.9875 2899.95  71.410  2893.44  100.945 2906.46  101.034 241.659 4.2320 242.204 4.2262 -0.5445862     5.980888  
1 1 1 5   -11 9  o 43.812  2.5252 95.184   10.874  66.676   36.272  97.998   11.398  35.810  9.9206 44.450  2.6093 -8.640862      10.25798  
1 1 1 5   -11 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -11 11 o 100.674 6.3472 507.606  62.749  477.351  88.767  537.825  88.713  96.766  9.4130 102.957 8.8147 -6.191124      12.89589  
1 1 1 5   -11 12 o 30.751  7.3597 49.347   22.041  54.979   31.331  43.830   31.012  32.516  9.2959 29.597  9.4256 2.918640       13.23838  
1 1 1 5   -11 13 o 77.702  6.4297 304.864  48.869  279.784  68.951  330.178  69.273  73.336  9.7685 80.083  8.9151 -6.746109      13.22505  
1 1 1 5   -11 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -11 15 f 39.704  6.9507 82.130   26.247  82.739   37.213  81.528   37.026  39.146  9.6844 38.859  9.6874 0.2871284      13.69787  
1 1 1 5   -11 16 o 106.630 1.4898 561.915  15.680  537.022  21.652  589.368  22.738  104.169 2.1058 109.127 2.1110 -4.958084      2.981765  
1 1 1 5   -10 0  o 182.742 6.8943 1656.24  124.355 1664.09  174.825 1648.21  176.923 182.475 9.7419 181.560 9.9101 0.9144287      13.89652  
1 1 1 5   -10 1  o 133.838 1.7592 884.332  23.239  862.559  32.689  906.581  33.045  132.157 2.5060 135.489 2.4709 -3.331818      3.519297  
1 1 1 5   -10 2  o 216.266 2.7762 2310.41  59.261  2291.29  87.863  2326.37  80.267  215.245 4.1356 216.928 3.7488 -1.682129      5.581800  
1 1 1 5   -10 3  o 22.598  0.7842 25.204   1.7492  26.752   2.9038  24.322   2.1914  23.245  1.2704 22.198  1.0002 1.047239       1.616898  
1 1 1 5   -10 4  o 174.499 2.3238 1503.99  40.025  1480.22  59.136  1524.09  54.372  173.028 3.4626 175.602 3.1370 -2.574432      4.672297  
1 1 1 5   -10 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -10 6  o 131.280 6.4785 857.157  83.947  885.919  118.804 828.479  118.632 132.662 9.1286 128.181 9.4431 4.481522       13.13408  
1 1 1 5   -10 7  o 19.587  6.2999 18.569   13.828  12.811   19.101  24.910   20.045  19.163  7.2939 22.918  7.5988 -3.754711      10.53299  
1 1 1 5   -10 8  o 20.085  6.5757 19.283   15.028  28.871   21.166  9.5344   21.341  24.319  7.7913 19.067  7.5793 5.251947       10.86968  
1 1 1 5   -10 9  o 224.725 7.4626 2521.39  165.530 2500.65  234.062 2542.15  234.127 222.469 10.659 224.349 10.573 -1.880783      15.01353  
1 1 1 5   -10 10 o 163.614 6.6811 1333.97  107.896 1328.59  152.564 1339.37  152.611 162.199 9.5720 162.872 9.5347 -0.6736298     13.51045  
1 1 1 5   -10 11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -10 12 o 64.500  6.3563 209.413  39.940  180.862  56.471  237.990  56.497  59.006  10.057 68.290  8.5705 -9.284225      13.21330  
1 1 1 5   -10 13 o 162.049 6.8383 1314.77  109.379 1313.33  154.727 1316.20  154.643 160.478 9.8154 160.663 9.7985 -0.1846619     13.86914  
1 1 1 5   -10 14 o 72.558  6.2639 265.655  44.420  248.917  62.689  282.535  62.952  69.267  9.4129 74.089  8.7792 -4.821434      12.87154  
1 1 1 5   -10 15 o 128.781 2.5081 821.012  31.881  840.349  45.376  802.161  44.801  130.091 3.5338 127.093 3.5714 2.998505       5.024226  
1 1 1 5   -10 16 o 42.817  1.0842 90.538   4.5819  83.230   6.3299  98.581   6.6408  41.038  1.5627 44.665  1.5063 -3.626823      2.170508  
1 1 1 5   -10 17 o 17.682  2.4227 15.773   4.1172  18.273   5.8351  13.294   5.8101  18.919  3.2413 16.026  3.7411 2.893364       4.949928  
1 1 1 5   -9  0  o 203.661 2.7603 2048.28  55.488  2015.73  78.448  2080.87  78.497  201.972 3.9351 205.213 3.8754 -3.241135      5.523031  
1 1 1 5   -9  1  o 94.797  2.4024 443.719  22.479  446.213  23.415  414.389  80.299  95.061  2.4955 90.873  9.0737 4.188538       9.410641  
1 1 1 5   -9  2  o 241.914 7.5303 2903.14  179.808 2874.84  254.201 2931.48  254.374 240.097 10.726 242.474 10.629 -2.376816      15.10043  
1 1 1 5   -9  3  o 231.732 7.4008 2665.00  169.278 2642.62  239.270 2687.43  239.520 230.101 10.535 232.063 10.457 -1.961929      14.84365  
1 1 1 5   -9  4  o 88.887  6.1672 393.510  53.773  371.940  76.001  415.132  76.091  85.932  9.0988 90.932  8.5792 -5.000046      12.50564  
1 1 1 5   -9  5  f 289.780 8.2119 4181.69  234.879 4234.46  332.193 4128.94  332.146 290.313 11.593 286.608 11.741 3.705200       16.49991  
1 1 1 5   -9  6  o 205.215 7.0949 2094.46  143.712 2105.38  203.297 2083.55  203.180 204.959 10.049 203.879 10.097 1.080032       14.24530  
1 1 1 5   -9  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -9  8  o 103.706 6.2502 536.531  63.680  510.573  89.917  562.652  90.197  100.534 9.1620 105.684 8.7247 -5.149712      12.65154  
1 1 1 5   -9  9  o 240.106 7.6313 2877.25  180.856 2816.56  255.680 2938.03  255.858 236.161 10.969 241.312 10.742 -5.151108      15.35263  
1 1 1 5   -9  10 o 62.321  1.3960 191.754  8.5872  199.532  12.520  184.846  11.800  63.560  1.9958 61.177  1.9541 2.382774       2.793147  
1 1 1 5   -9  11 o 167.845 2.3847 1392.00  39.508  1424.47  49.408  1334.42  65.790  169.738 2.9491 164.152 4.0605 5.586121       5.018480  
1 1 1 5   -9  12 o 162.986 3.1352 1313.91  50.437  1313.91  50.437  0.0000   0.0000  162.986 3.1352 ?       ?      0.000000       3.135200  
1 1 1 5   -9  13 o 55.753  1.1848 153.457  6.5198  155.378  8.2048  150.166  10.739  56.095  1.4819 55.134  1.9734 0.9607010      2.467852  
1 1 1 5   -9  14 o 24.510  1.4865 29.777   3.5792  26.557   4.6476  34.471   5.6110  23.091  2.0608 26.320  2.1795 -3.228853      2.999514  
1 1 1 5   -9  15 o 76.100  1.1727 285.961  8.8088  312.491  12.894  262.745  12.062  79.532  1.6426 72.926  1.6758 6.606163       2.346560  
1 1 1 5   -9  16 f 88.253  1.5409 384.829  13.423  393.272  23.330  380.652  16.411  89.114  2.6524 87.747  1.8948 1.367607       3.259676  
1 1 1 5   -9  17 o 56.635  1.4382 158.482  8.0395  164.264  11.510  152.974  11.234  57.626  2.0235 55.609  2.0468 2.016926       2.878186  
1 1 1 5   -9  18 o 75.306  1.2722 280.151  9.4560  284.020  13.605  276.536  13.152  75.785  1.8188 74.782  1.7818 1.002159       2.546141  
1 1 1 5   -8  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -8  1  o 214.241 8.2834 2275.81  175.164 2275.89  214.573 2275.66  303.277 213.994 10.159 212.735 14.530 1.259155       17.72928  
1 1 1 5   -8  2  o 276.416 8.0327 3788.80  219.158 3770.23  309.902 3807.37  309.971 275.071 11.414 276.435 11.360 -1.363861      16.10414  
1 1 1 5   -8  3  o 166.432 6.6487 1371.78  109.220 1322.05  154.206 1421.85  154.718 162.797 9.6396 168.908 9.3162 -6.110962      13.40573  
1 1 1 5   -8  4  f 259.677 3.1528 3330.80  80.809  3370.25  114.288 3291.37  114.274 261.099 4.4347 258.020 4.4870 3.078766       6.308734  
1 1 1 5   -8  5  o 139.923 2.0078 966.634  27.729  954.961  44.137  974.246  35.642  139.031 3.2163 140.454 2.5709 -1.423630      4.117557  
1 1 1 5   -8  6  o 77.760  1.1486 298.455  8.8160  291.476  12.566  305.219  12.371  76.838  1.6569 78.630  1.5940 -1.791550      2.299178  
1 1 1 5   -8  7  o 208.479 2.5943 2147.06  53.384  2148.94  75.481  2145.18  75.513  208.471 3.6682 208.288 3.6730 0.1832275      5.191055  
1 1 1 5   -8  8  o 106.737 1.6515 562.501  17.399  571.241  28.014  557.012  22.199  107.526 2.6395 106.200 2.1178 1.326271       3.384109  
1 1 1 5   -8  9  o 140.360 1.8206 972.857  25.222  969.811  35.625  975.918  35.715  140.099 2.5762 140.539 2.5747 -0.4405212     3.642238  
1 1 1 5   -8  10 f 150.742 1.9025 1122.19  28.306  1113.47  39.989  1130.94  40.073  150.104 2.6991 151.278 2.6837 -1.174728      3.806256  
1 1 1 5   -8  11 o 12.979  2.4030 8.5897   2.9651  6.9192   4.1229  10.379   4.2674  11.707  3.3797 14.212  3.1270 -2.505149      4.604355  
1 1 1 5   -8  12 f 138.782 1.8265 951.179  25.019  924.094  34.939  979.685  35.843  136.745 2.5886 140.798 2.5792 -4.053696      3.654170  
1 1 1 5   -8  13 o 105.456 1.5012 549.113  15.626  574.002  22.288  525.055  21.913  107.794 2.0948 103.093 2.1535 4.701187       3.004297  
1 1 1 5   -8  14 o 19.458  1.7394 18.848   3.3053  14.881   4.3583  24.218   5.0713  17.148  2.6611 22.010  2.3718 -4.861280      3.564710  
1 1 1 5   -8  15 o 42.217  1.0111 87.985   4.2130  97.547   6.0037  78.708   5.9135  44.446  1.3685 39.922  1.5007 4.524025       2.031030  
1 1 1 5   -8  16 o 118.977 1.6008 699.303  18.799  695.533  26.643  703.041  26.528  118.595 2.2760 119.236 2.2541 -0.6406937     3.203313  
1 1 1 5   -8  17 o 133.609 1.8727 882.525  24.697  854.932  35.187  909.315  34.671  131.378 2.7135 135.514 2.5921 -4.135712      3.752596  
1 1 1 5   -8  18 o 95.025  1.3720 446.097  12.868  471.367  18.711  423.418  17.726  97.628  1.9418 92.529  1.9409 5.098595       2.745440  
1 1 1 5   -8  19 o 48.215  1.2275 114.838  5.8419  105.870  8.3829  123.305  8.1457  46.268  1.8356 49.942  1.6524 -3.674454      2.469814  
1 1 1 5   -7  0  o 177.709 3.0072 1559.46  52.748  1545.90  74.621  1572.99  74.572  176.883 4.2741 178.428 4.2343 -1.545120      6.016381  
1 1 1 5   -7  1  o 260.428 3.2413 3349.45  83.319  3420.61  123.376 3289.79  112.972 263.078 4.7513 258.022 4.4359 5.055695       6.500177  
1 1 1 5   -7  2  o 273.262 3.5993 3688.35  97.080  3661.63  137.258 3715.10  137.326 272.153 5.1097 274.136 5.0752 -1.982971      7.201827  
1 1 1 5   -7  3  f 303.682 5.8195 4561.87  174.437 4561.87  174.437 0.0000   0.0000  303.682 5.8195 ?       ?      0.000000       5.819515  
1 1 1 5   -7  4  o 294.246 3.6164 4276.91  105.033 4189.83  155.213 4350.48  142.658 291.068 5.4026 296.653 4.8721 -5.585663      7.274942  
1 1 1 5   -7  5  o 277.627 3.3321 3807.22  91.310  3919.99  129.164 3694.55  129.100 281.593 4.6471 273.362 4.7847 8.231110       6.670027  
1 1 1 5   -7  6  o 157.976 1.9525 1232.08  30.444  1190.96  42.945  1273.63  43.165  155.288 2.8018 160.591 2.7232 -5.302612      3.907178  
1 1 1 5   -7  7  o 185.494 2.7951 1699.59  51.176  1704.26  60.280  1687.53  96.843  185.718 3.2884 184.625 5.3143 1.093048       6.249406  
1 1 1 5   -7  8  o 153.821 2.0276 1168.36  30.785  1188.12  41.582  1144.39  45.794  155.083 2.7165 152.182 3.0487 2.900955       4.083372  
1 1 1 5   -7  9  o 149.919 2.0216 1109.93  29.915  1117.03  42.311  1102.83  42.303  150.350 2.8511 149.391 2.8689 0.9594574      4.044662  
1 1 1 5   -7  10 o 323.190 3.8229 5167.93  121.949 5104.50  172.422 5231.43  172.502 320.783 5.4456 324.767 5.3813 -3.983429      7.655944  
1 1 1 5   -7  11 o 195.577 2.4404 1889.78  47.109  1846.06  66.553  1933.68  66.692  193.192 3.4902 197.733 3.4172 -4.540543      4.884496  
1 1 1 5   -7  12 o 90.212  1.2461 401.751  11.095  392.098  15.624  411.572  15.759  89.108  1.7764 91.295  1.7488 -2.186806      2.492776  
1 1 1 5   -7  13 f 221.135 3.5868 2419.55  78.287  2110.07  222.547 2463.26  83.633  203.996 11.094 223.089 3.7981 -19.09279      11.72652  
1 1 1 5   -7  14 o 178.001 2.3221 1565.52  40.799  1593.20  57.618  1537.69  57.778  179.466 3.2527 176.303 3.3202 3.162689       4.648004  
1 1 1 5   -7  15 o 284.068 3.4287 3994.20  96.136  3869.12  135.832 4119.73  136.081 279.146 4.9299 288.095 4.7855 -8.949036      6.870595  
1 1 1 5   -7  16 o 52.545  1.1893 136.318  6.1684  133.924  7.8920  140.078  9.8886  52.073  1.5355 53.247  1.8815 -1.173065      2.428530  
1 1 1 5   -7  17 o 116.288 2.1798 668.662  25.020  678.328  25.847  524.841  99.698  117.119 2.2359 100.582 10.183 16.53746       10.42525  
1 1 1 5   -7  18 o 92.737  6.4606 435.342  58.768  410.912  83.012  459.888  83.208  88.745  9.6315 94.219  9.0591 -5.473907      13.22240  
1 1 1 5   -7  19 o 60.873  6.5355 189.203  38.653  168.681  54.604  209.817  54.725  56.110  10.237 63.238  9.0232 -7.128105      13.64574  
1 1 1 5   -7  20 o 46.939  6.7655 114.003  30.439  109.147  43.291  118.751  42.809  44.808  10.037 46.951  9.5624 -2.142738      13.86321  
1 1 1 5   -6  0  o 92.958  1.4271 426.510  13.094  406.477  18.523  446.519  18.513  90.742  2.0681 95.108  1.9721 -4.365730      2.857658  
1 1 1 5   -6  1  o 214.451 2.6379 2270.62  55.837  2327.79  78.935  2213.37  78.996  217.090 3.6838 211.683 3.7808 5.407043       5.278739  
1 1 1 5   -6  2  o 306.104 4.1253 4629.05  124.640 4431.98  185.867 4790.09  168.016 299.312 6.2914 311.261 5.4688 -11.94885      8.336000  
1 1 1 5   -6  3  o 285.019 3.6829 4012.49  103.609 4094.38  134.600 3893.41  162.310 287.834 4.7377 280.578 5.8608 7.255676       7.536255  
1 1 1 5   -6  4  o 322.688 4.2560 5144.81  135.554 5085.21  191.671 5204.45  191.734 320.624 6.0566 324.370 5.9886 -3.745941      8.517361  
1 1 1 5   -6  5  o 262.168 3.4346 3394.82  88.877  3464.13  125.787 3325.71  125.594 264.728 4.8140 259.377 4.9057 5.350922       6.873178  
1 1 1 5   -6  6  o 89.009  1.2969 391.042  11.394  389.873  15.106  392.585  17.355  88.872  1.7220 89.177  1.9717 -0.3054962     2.617847  
1 1 1 5   -6  7  f 264.996 3.3091 3468.92  86.554  3419.80  127.997 3510.30  117.490 262.962 4.9314 266.469 4.4670 -3.507050      6.653838  
1 1 1 5   -6  8  o 101.272 1.3812 506.257  13.806  491.657  18.454  524.818  20.807  99.793  1.8735 103.099 2.0446 -3.306808      2.773180  
1 1 1 5   -6  9  o 268.912 3.2461 3573.68  86.160  3580.29  121.845 3567.08  121.852 268.977 4.5895 268.479 4.5982 0.4980164      6.496679  
1 1 1 5   -6  10 o 51.062  0.9965 128.694  5.0225  122.363  7.2194  134.632  6.9918  49.785  1.4691 52.223  1.3564 -2.437481      1.999562  
1 1 1 5   -6  11 o 220.308 2.7195 2398.33  59.137  2428.22  83.648  2368.46  83.617  221.540 3.8253 218.790 3.8720 2.749466       5.442909  
1 1 1 5   -6  12 o 150.849 1.9155 1123.76  28.520  1166.20  40.413  1081.65  40.255  153.624 2.6652 147.944 2.7567 5.680359       3.834389  
1 1 1 5   -6  13 o 117.394 1.5549 680.448  18.017  733.117  25.668  629.295  25.296  121.829 2.1346 112.867 2.2707 8.962090       3.116498  
1 1 1 5   -6  14 o 81.067  1.6267 324.502  13.016  224.037  65.733  328.602  13.279  65.908  10.453 81.577  1.6492 -15.66904      10.58268  
1 1 1 5   -6  15 o 83.251  1.2455 342.160  10.235  353.398  14.576  331.228  14.375  84.593  1.7457 81.896  1.7783 2.697403       2.491946  
1 1 1 5   -6  16 o 123.006 1.8727 747.397  22.737  754.451  28.252  734.427  38.308  123.556 2.3166 121.830 3.1857 1.725838       3.938915  
1 1 1 5   -6  17 o 64.386  6.3035 209.165  39.546  222.508  56.321  196.189  55.540  65.742  8.9090 61.503  9.4514 4.238754       12.98845  
1 1 1 5   -6  18 o 71.430  6.2645 257.894  43.721  240.629  61.874  275.111  61.787  67.952  9.4837 73.005  8.7489 -5.053131      12.90283  
1 1 1 5   -6  19 o 126.454 7.7014 816.142  95.666  826.265  117.807 796.539  163.932 126.145 9.5320 120.464 14.051 5.681038       16.97918  
1 1 1 5   -6  20 o 127.484 7.6176 831.188  95.415  816.553  116.679 860.730  165.777 125.138 9.5178 125.096 13.648 0.4232788E-01  16.63863  
1 1 1 5   -5  0  o 173.723 2.5198 1490.04  43.208  1501.75  57.677  1475.06  65.227  174.377 3.3510 172.801 3.8243 1.575714       5.084721  
1 1 1 5   -5  1  o 371.325 4.6908 6814.32  171.924 6787.04  243.085 6841.62  243.190 370.318 6.6504 371.807 6.6266 -1.489807      9.388330  
1 1 1 5   -5  2  o 108.787 1.4585 584.142  15.661  593.950  22.159  574.354  22.136  109.690 2.0467 107.865 2.0792 1.825165       2.917542  
1 1 1 5   -5  3  o 207.974 2.8007 2135.63  57.492  2131.46  81.274  2139.81  81.337  207.722 3.9640 208.129 3.9593 -0.4068298     5.602660  
1 1 1 5   -5  4  o 63.970  1.6906 201.987  10.674  195.720  53.545  202.246  10.893  62.194  8.9828 64.010  1.7241 -1.816322      9.146791  
1 1 1 5   -5  5  o 155.102 1.9975 1187.52  30.580  1180.37  43.227  1194.69  43.267  154.615 2.8325 155.551 2.8181 -0.9357452     3.995590  
1 1 1 5   -5  6  o 168.822 2.3649 1407.09  39.407  1421.92  52.850  1388.54  59.138  169.684 3.1555 167.664 3.5735 2.019211       4.767334  
1 1 1 5   -5  7  o 282.643 3.5123 3945.98  97.986  3784.27  144.766 4082.71  133.113 276.637 5.3018 287.400 4.6925 -10.76245      7.080109  
1 1 1 5   -5  8  o 266.226 3.2020 3500.88  84.140  3422.59  118.938 3579.30  119.046 263.115 4.5798 269.081 4.4823 -5.966278      6.408193  
1 1 1 5   -5  9  o 72.300  1.1329 258.014  8.0845  250.565  11.989  264.227  10.949  71.243  1.7049 73.162  1.5161 -1.918823      2.281506  
1 1 1 5   -5  10 o 282.342 3.5396 3940.54  98.643  3891.28  133.918 3998.97  145.850 280.376 4.8391 284.163 5.2000 -3.786865      7.103340  
1 1 1 5   -5  11 o 188.317 2.5025 1751.86  46.515  1774.64  65.798  1729.09  65.767  189.450 3.5187 186.998 3.5632 2.451675       5.007747  
1 1 1 5   -5  12 o 275.637 3.3195 3756.52  90.312  3751.11  127.700 3761.93  127.741 275.181 4.7015 275.579 4.6963 -0.3976746     6.645255  
1 1 1 5   -5  13 f 217.068 2.6947 2328.39  57.735  2304.15  81.559  2352.74  81.742  215.793 3.8291 218.061 3.7978 -2.268112      5.393105  
1 1 1 5   -5  14 o 51.524  1.0464 131.043  5.3214  132.404  7.3550  129.547  7.7086  51.786  1.4389 51.223  1.5247 0.5629997      2.096441  
1 1 1 5   -5  15 o 58.284  9.0700 174.232  50.481  209.600  71.511  139.100  71.272  63.327  11.877 51.240  13.789 12.08702       18.19871  
1 1 1 5   -5  16 o 79.318  6.3615 315.270  49.385  322.767  70.074  307.873  69.611  79.652  9.0752 77.722  9.2561 1.929298       12.96277  
1 1 1 5   -5  17 o 117.003 6.3590 684.976  73.162  698.911  103.631 671.129  103.303 117.393 9.0124 114.965 9.1802 2.428467       12.86467  
1 1 1 5   -5  18 o 74.497  6.2246 279.484  45.351  290.583  64.411  268.572  63.866  75.231  8.8429 72.183  9.1710 3.048180       12.73986  
1 1 1 5   -5  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -5  20 o 67.464  2.2564 225.230  15.025  129.159  55.120  232.942  15.617  48.542  11.652 68.606  2.3062 -20.06356      11.87810  
1 1 1 5   -5  21 o 135.876 2.0168 913.349  27.048  975.221  34.049  807.512  44.532  140.321 2.4583 127.443 3.5402 12.87837       4.310006  
1 1 1 5   -4  0  o 272.242 3.7503 3661.59  100.775 3621.74  150.668 3693.85  135.561 270.577 5.6415 273.325 5.0249 -2.747650      7.554857  
1 1 1 5   -4  1  o 82.471  1.2382 335.703  10.079  342.409  14.334  329.146  14.175  83.286  1.7437 81.657  1.7587 1.629196       2.476608  
1 1 1 5   -4  2  o 152.691 2.4293 1151.08  36.612  1165.40  51.775  1136.76  51.780  153.607 3.4149 151.706 3.4580 1.900604       4.859994  
1 1 1 5   -4  3  o 146.454 1.8279 1058.77  26.423  1091.03  37.396  1026.59  37.341  148.654 2.5486 144.196 2.6236 4.458725       3.657700  
1 1 1 5   -4  4  o 344.621 4.3996 5867.97  149.655 5929.64  211.689 5806.34  211.599 346.231 6.1944 342.604 6.2573 3.626648       8.804802  
1 1 1 5   -4  5  o 265.200 4.1936 3474.48  109.771 3581.52  289.047 3456.44  118.661 268.469 10.908 264.487 4.5454 3.982483       11.81705  
1 1 1 5   -4  6  o 281.992 3.4790 3927.23  96.834  3877.52  143.044 3969.28  131.564 280.080 5.1743 283.414 4.7031 -3.333740      6.992333  
1 1 1 5   -4  7  o 357.609 4.7333 6320.21  167.072 6307.97  236.263 6332.46  236.286 357.009 6.7048 357.703 6.6924 -0.6942749     9.473233  
1 1 1 5   -4  8  o 253.075 3.1916 3163.07  79.724  3103.94  108.157 3233.43  117.973 250.621 4.3722 255.772 4.6730 -5.150269      6.399509  
1 1 1 5   -4  9  o 73.034  1.1350 263.272  8.1817  254.728  10.953  274.060  12.307  71.836  1.5447 74.511  1.6733 -2.674850      2.277316  
1 1 1 5   -4  10 o 196.279 2.4475 1902.50  47.417  1873.60  67.013  1931.47  67.102  194.719 3.4867 197.707 3.4386 -2.987946      4.897074  
1 1 1 5   -4  11 o 52.962  1.0016 138.451  5.2358  130.012  7.0654  148.730  7.7977  51.320  1.3948 54.889  1.4393 -3.569588      2.004256  
1 1 1 5   -4  12 o 137.815 1.8745 937.843  25.499  971.158  36.116  904.730  36.006  140.205 2.6098 135.320 2.6957 4.884796       3.752056  
1 1 1 5   -4  13 o 91.558  1.2903 413.822  11.661  397.678  16.279  430.835  16.711  89.741  1.8378 93.408  1.8125 -3.666924      2.581218  
1 1 1 5   -4  14 o 115.291 1.5748 656.277  17.921  622.056  25.069  692.047  25.630  112.218 2.2633 118.367 2.1937 -6.148178      3.151933  
1 1 1 5   -4  15 o 59.611  1.1733 175.414  6.9037  182.963  8.6286  161.983  11.509  60.876  1.4360 57.268  2.0360 3.607704       2.491467  
1 1 1 5   -4  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   -4  17 f 199.654 7.1183 1990.63  140.278 1951.17  198.395 2030.08  198.370 196.169 10.282 200.214 10.070 -4.045532      14.39203  
1 1 1 5   -4  18 o 67.296  6.3865 228.135  41.914  248.001  59.537  208.615  59.016  69.567  8.8727 63.470  9.7308 6.096867       13.16862  
1 1 1 5   -4  19 o 104.659 1.7403 541.205  17.977  553.451  31.472  535.274  21.902  105.713 3.0162 104.054 2.1326 1.659752       3.693955  
1 1 1 5   -4  20 o 109.708 1.6189 594.753  17.531  605.052  24.752  584.386  24.832  110.586 2.2677 108.675 2.3150 1.910698       3.240618  
1 1 1 5   -4  21 o 79.340  1.3916 310.988  10.897  320.303  15.854  302.645  15.004  80.475  1.9960 78.229  1.9431 2.245308       2.785582  
1 1 1 5   -4  22 o 71.366  1.6194 251.774  11.407  232.548  18.981  262.644  14.272  68.473  2.8084 72.860  1.9846 -4.386925      3.438841  
1 1 1 5   -3  0  o 119.224 1.9544 701.753  22.999  686.739  32.524  716.769  32.526  117.920 2.7943 120.472 2.7353 -2.552498      3.910291  
1 1 1 5   -3  1  o 107.545 1.7047 570.955  18.095  577.102  25.591  564.809  25.590  108.108 2.3983 106.950 2.4242 1.158211       3.410045  
1 1 1 5   -3  2  o 171.329 2.1226 1449.21  35.894  1424.96  50.736  1473.52  50.788  169.855 3.0263 172.728 2.9790 -2.872437      4.246474  
1 1 1 5   -3  3  o 208.590 2.8109 2148.56  57.872  2124.71  91.726  2164.33  74.591  207.335 4.4822 209.314 3.6104 -1.979156      5.755425  
1 1 1 5   -3  4  o 402.380 4.6807 8002.16  185.901 7703.83  262.844 8300.75  262.963 394.500 6.7502 409.542 6.5052 -15.04233      9.374620  
1 1 1 5   -3  5  o 421.437 5.2678 8779.89  219.126 8823.95  286.568 8717.85  340.024 422.247 6.8759 419.449 8.2129 2.798279       10.71119  
1 1 1 5   -3  6  o 486.262 11.320 11754.35 543.329 11861.08 768.404 11647.63 768.362 486.712 15.995 482.249 16.142 4.463318       22.72464  
1 1 1 5   -3  7  o 215.756 2.7796 2298.39  59.193  2247.26  80.161  2359.71  87.781  213.301 3.8075 218.559 4.0691 -5.258453      5.572658  
1 1 1 5   -3  8  o 109.194 1.5577 588.536  16.789  562.798  25.116  609.325  22.573  106.768 2.3833 111.099 2.0584 -4.331116      3.149186  
1 1 1 5   -3  9  f 193.226 2.3995 1843.35  45.763  1856.24  64.757  1830.48  64.680  193.862 3.3843 192.511 3.4039 1.350662       4.799988  
1 1 1 5   -3  10 f 181.700 2.2567 1630.06  40.472  1626.53  57.239  1633.58  57.233  181.463 3.1957 181.856 3.1885 -0.3929749     4.514323  
1 1 1 5   -3  11 o 43.514  1.0127 93.458   4.3496  90.361   5.9860  96.923   6.3310  42.785  1.4175 44.311  1.4475 -1.526024      2.025978  
1 1 1 5   -3  12 o 66.776  1.1304 220.099  7.4504  231.626  11.122  210.717  10.034  68.495  1.6451 65.332  1.5561 3.163307       2.264482  
1 1 1 5   -3  13 o 263.073 3.1969 3421.05  83.011  3448.16  117.405 3393.96  117.386 263.902 4.5072 261.812 4.5425 2.089081       6.399169  
1 1 1 5   -3  14 o 275.695 3.3319 3758.26  90.667  3717.77  128.206 3798.77  128.239 273.940 4.7415 276.919 4.6917 -2.979340      6.670421  
1 1 1 5   -3  15 o 213.161 7.3093 2264.06  153.787 2186.95  217.356 2341.37  217.619 208.145 10.615 215.788 10.217 -7.642593      14.73331  
1 1 1 5   -3  16 o 112.132 6.1869 626.942  68.211  643.088  96.533  610.842  96.396  113.008 8.7218 110.063 8.9508 2.944977       12.49749  
1 1 1 5   -3  17 o 99.920  9.3639 506.038  91.274  517.088  129.890 495.260  128.286 99.628  13.561 97.409  13.723 2.218933       19.29328  
1 1 1 5   -3  18 o 85.408  2.6981 360.653  22.745  410.537  74.700  355.556  23.879  90.012  8.5089 84.793  2.8532 5.219025       8.974493  
1 1 1 5   -3  19 o 45.680  1.3758 103.042  6.2033  100.589  8.8804  105.380  8.6691  45.117  1.9941 46.182  1.9018 -1.064499      2.755624  
1 1 1 5   -3  20 o 51.842  1.3861 132.745  7.0926  150.397  10.780  119.271  9.4182  55.157  1.9801 49.121  1.9425 6.036697       2.773829  
1 1 1 5   -3  21 o 109.809 1.6156 595.888  17.510  589.344  25.352  601.858  24.214  109.121 2.3538 110.291 2.2243 -1.169395      3.238479  
1 1 1 5   -3  22 f 40.581  1.6163 81.393   6.4741  87.121   9.0212  75.311   9.2965  41.901  2.1889 38.923  2.4320 2.978271       3.271955  
1 1 1 5   -2  0  o 255.448 3.4110 3224.28  86.003  3157.46  124.783 3284.74  118.699 252.612 5.0046 257.696 4.6667 -5.084457      6.842793  
1 1 1 5   -2  1  o 145.706 1.9135 1048.17  27.519  1058.98  41.125  1039.40  37.032  146.421 2.8456 145.072 2.5862 1.349121       3.845207  
1 1 1 5   -2  2  o 135.408 1.9601 905.239  26.198  910.062  37.091  900.438  37.007  135.741 2.7684 135.021 2.7769 0.7200165      3.921072  
1 1 1 5   -2  3  o 379.054 5.0067 7108.20  187.321 6971.03  264.880 7245.44  264.945 374.905 7.1580 382.248 7.0223 -7.343170      10.02744  
1 1 1 5   -2  4  o 141.905 2.0098 994.122  28.151  992.185  39.750  996.071  39.873  141.744 2.8412 142.021 2.8444 -0.2772522     4.020287  
1 1 1 5   -2  5  o 360.519 4.3955 6422.81  156.411 6432.38  212.806 6411.58  230.669 360.587 5.9791 359.926 6.4930 0.6614075      8.826594  
1 1 1 5   -2  6  o 436.431 5.4324 9416.62  234.015 9612.96  331.022 9220.46  330.872 440.587 7.6119 431.467 7.7692 9.119263       10.87667  
1 1 1 5   -2  7  o 360.520 6.2505 6428.59  222.420 6448.11  253.717 6363.78  462.286 360.949 7.1215 357.368 13.106 3.580566       14.91562  
1 1 1 5   -2  8  o 407.133 4.7334 8191.08  190.216 8260.72  269.030 8121.46  268.983 408.599 6.6707 405.131 6.7266 3.467468       9.473389  
1 1 1 5   -2  9  f 116.958 1.5871 675.205  18.322  705.244  26.026  645.692  25.797  119.521 2.2061 114.362 2.2854 5.158958       3.176455  
1 1 1 5   -2  10 o 212.217 2.7734 2223.84  58.093  2359.99  86.191  2110.50  78.639  218.551 3.9955 206.684 3.8548 11.86693       5.551884  
1 1 1 5   -2  11 o 22.369  1.4223 24.798   3.1239  24.278   7.7701  24.898   3.4117  21.860  3.7353 22.405  1.5523 -0.5447845     4.045001  
1 1 1 5   -2  12 o 138.475 1.8578 946.730  25.392  982.537  35.627  909.760  36.201  141.044 2.5591 135.714 2.7025 5.330139       3.721874  
1 1 1 5   -2  13 o 22.516  1.6668 25.168   3.6782  26.093   4.8898  23.964   5.5821  22.881  2.1920 21.866  2.6398 1.014687       3.431198  
1 1 1 5   -2  14 o 28.641  1.4040 40.497   3.9692  37.239   5.3151  44.604   5.9680  27.389  1.9794 29.985  2.0284 -2.595270      2.834172  
1 1 1 5   -2  15 o 80.386  6.1349 322.829  48.309  300.744  68.256  344.995  68.382  76.983  9.1628 82.671  8.5014 -5.687767      12.49921  
1 1 1 5   -2  16 o 123.397 7.3692 761.601  89.345  734.360  109.271 816.546  155.189 120.702 9.2421 126.218 12.626 -5.515633      15.64728  
1 1 1 5   -2  17 o 48.746  6.0104 119.855  28.306  110.900  39.882  128.946  40.181  46.260  9.0585 50.109  8.4228 -3.848301      12.36933  
1 1 1 5   -2  18 o 160.077 2.1212 1265.90  33.516  1278.91  47.661  1253.18  47.140  160.815 3.0026 159.190 3.0001 1.625504       4.244594  
1 1 1 5   -2  19 o 112.464 1.6147 624.658  17.924  669.633  25.852  583.028  24.872  116.402 2.2501 108.610 2.3201 7.792572       3.231992  
1 1 1 5   -2  20 o 77.249  1.3931 294.710  10.622  325.226  16.052  270.942  14.167  81.119  2.0048 74.044  1.9384 7.075157       2.788690  
1 1 1 5   -2  21 o 44.105  1.5814 96.117   6.8844  95.864   10.055  96.340   9.4455  43.956  2.3259 44.133  2.1683 -0.1774864     3.179826  
1 1 1 5   -2  22 f 151.638 2.0388 1137.35  30.516  1172.52  43.678  1103.82  42.651  153.793 2.8774 149.215 2.8959 4.577545       4.082335  
1 1 1 5   -2  23 o 87.090  1.7303 375.018  14.874  435.862  26.837  348.044  17.869  93.732  2.9008 83.856  2.1589 9.875710       3.616002  
1 1 1 5   -1  0  o 85.130  1.2207 357.721  10.258  379.511  14.674  336.901  14.344  87.678  1.6957 82.609  1.7592 5.069565       2.443351  
1 1 1 5   -1  1  o 116.745 1.8896 672.919  21.774  678.956  30.793  666.882  30.793  117.244 2.6609 116.196 2.6849 1.047981       3.780083  
1 1 1 5   -1  2  o 182.899 2.2560 1651.90  40.726  1670.03  57.605  1633.79  57.587  183.847 3.1745 181.839 3.2085 2.008148       4.513492  
1 1 1 5   -1  3  o 159.257 2.1462 1252.34  33.736  1270.69  43.128  1223.42  54.154  160.395 2.7242 157.342 3.4870 3.052673       4.424939  
1 1 1 5   -1  4  o 182.845 2.6967 1651.14  48.668  1584.11  68.795  1718.29  68.859  179.025 3.8932 186.464 3.7414 -7.439102      5.399548  
1 1 1 5   -1  5  o 234.014 2.9491 2704.51  68.119  2638.85  100.929 2759.45  92.315  231.054 4.4256 236.312 3.9578 -5.257751      5.937179  
1 1 1 5   -1  6  o 266.786 3.3048 3515.14  87.024  3488.78  128.727 3537.32  118.100 265.669 4.9090 267.547 4.4721 -1.877930      6.640699  
1 1 1 5   -1  7  o 301.244 4.3103 4483.40  128.162 4554.48  181.251 4412.33  181.245 303.464 6.0512 298.681 6.1479 4.783478       8.626313  
1 1 1 5   -1  8  o 348.535 5.2982 6004.51  182.266 5952.25  200.271 6256.56  439.829 346.955 5.8481 354.489 12.570 -7.533691      13.86411  
1 1 1 5   -1  9  o 234.189 2.8943 2708.02  66.903  2665.23  92.911  2754.09  96.417  232.277 4.0525 236.112 4.1371 -3.835464      5.791294  
1 1 1 5   -1  10 o 88.938  1.3337 390.413  11.708  382.194  17.219  397.480  15.967  87.990  1.9827 89.735  1.8027 -1.744339      2.679682  
1 1 1 5   -1  11 o 222.317 2.7675 2440.67  60.729  2423.50  85.882  2457.85  85.885  221.467 3.9288 223.032 3.9014 -1.565567      5.536805  
1 1 1 5   -1  12 o 107.260 1.6722 567.942  17.704  582.405  21.955  541.055  29.934  108.610 2.0480 104.661 2.8977 3.948792       3.548347  
1 1 1 5   -1  13 o 336.214 3.9815 5590.13  132.128 5526.56  186.834 5653.73  186.880 333.948 5.6682 337.783 5.6052 -3.835724      7.971621  
1 1 1 5   -1  14 o 254.221 3.9149 3197.05  98.236  3175.76  120.305 3239.65  170.174 253.221 4.8134 255.316 6.7527 -2.095459      8.292658  
1 1 1 5   -1  15 o 250.708 7.6865 3133.03  190.208 3191.67  269.091 3074.46  268.898 251.820 10.826 247.063 11.027 4.756989       15.45300  
1 1 1 5   -1  16 o 162.680 6.6405 1316.43  106.628 1263.15  150.705 1369.84  150.885 158.374 9.6873 165.077 9.2982 -6.703125      13.42759  
1 1 1 5   -1  17 o 211.163 2.6564 2203.56  55.367  2177.27  78.371  2229.75  78.231  209.755 3.7854 212.276 3.7337 -2.521072      5.316953  
1 1 1 5   -1  18 o 33.150  3.0781 54.807   9.9566  0.0000   0.0000  54.807   9.9566  ?       ?      33.150  3.0781 0.000000       3.078089  
1 1 1 5   -1  19 o 88.020  1.4462 382.554  12.564  411.956  18.290  356.281  17.289  91.317  2.0292 84.921  2.0627 6.396011       2.893473  
1 1 1 5   -1  20 o 58.751  1.4605 170.463  8.4693  158.732  12.606  180.114  11.434  56.667  2.2539 60.376  1.9187 -3.709499      2.959925  
1 1 1 5   -1  21 o 53.711  1.5116 142.509  8.0135  144.003  12.647  141.507  10.358  53.953  2.3748 53.504  1.9615 0.4495468      3.080086  
1 1 1 5   -1  22 o 75.757  1.4564 283.547  10.890  302.289  16.421  268.834  14.550  78.171  2.1283 73.729  1.9994 4.442368       2.920131  
1 1 1 5   -1  23 o 29.878  2.3977 44.485   7.0114  57.007   11.659  37.392   8.7754  33.680  3.5612 27.239  3.3335 6.441168       4.877975  
1 1 1 5   0   0  o 218.867 3.4516 2367.30  74.565  2325.70  99.762  2419.95  112.237 216.814 4.6617 221.104 5.1429 -4.290421      6.941232  
1 1 1 5   0   1  o 164.392 2.5198 1334.74  40.886  1320.90  52.593  1355.88  65.002  163.496 3.2590 165.596 3.9769 -2.099701      5.141719  
1 1 1 5   0   2  o 204.092 2.8524 2057.70  57.460  2000.27  77.978  2125.93  84.996  201.136 3.9278 207.334 4.1533 -6.198639      5.716442  
1 1 1 5   0   3  o 86.850  1.1215 372.311  9.6138  378.361  13.611  366.288  13.581  87.546  1.5752 86.138  1.5973 1.408501       2.243349  
1 1 1 5   0   4  o 96.750  1.3554 462.056  12.943  483.514  18.405  441.061  18.205  98.962  1.8842 94.516  1.9514 4.445564       2.712641  
1 1 1 5   0   5  o 169.925 2.5144 1425.89  42.172  1392.28  59.567  1459.66  59.713  167.857 3.5953 171.875 3.5198 -4.018280      5.031422  
1 1 1 5   0   6  o 284.617 3.7158 4001.99  104.386 3997.66  147.669 4006.31  147.579 284.314 5.2621 284.623 5.2532 -0.3085327     7.435414  
1 1 1 5   0   7  o 295.325 3.8331 4308.27  111.733 4195.66  157.947 4421.08  158.082 291.298 5.4934 299.035 5.3558 -7.737000      7.672177  
1 1 1 5   0   8  o 235.290 2.8490 2733.45  66.165  2803.53  93.607  2663.48  93.536  238.235 3.9808 232.203 4.0811 6.032013       5.701046  
1 1 1 5   0   9  o 182.022 2.3590 1635.64  42.383  1697.72  63.085  1584.57  57.219  185.411 3.4472 179.133 3.2362 6.277969       4.728193  
1 1 1 5   0   10 o 297.623 4.3790 4376.71  128.641 4447.90  182.021 4305.67  181.829 299.863 6.1499 295.019 6.2443 4.843933       8.764231  
1 1 1 5   0   11 o 234.732 2.8517 2720.77  66.071  2768.89  93.418  2672.60  93.459  236.734 3.9979 232.577 4.0712 4.157028       5.705959  
1 1 1 5   0   12 o 362.797 4.2663 6506.17  152.773 6558.42  216.068 6453.93  216.040 363.964 6.0145 361.044 6.0623 2.920258       8.539674  
1 1 1 5   0   13 o 97.705  1.7277 471.290  16.662  466.171  28.561  473.931  20.514  97.141  2.9788 97.970  2.1214 -0.8295975     3.656989  
1 1 1 5   0   14 o 178.937 6.8434 1590.65  120.866 1596.72  172.115 1584.73  169.770 178.400 9.8121 177.757 9.7129 0.6435699      13.80643  
1 1 1 5   0   15 o 192.307 6.9543 1839.59  132.001 1824.81  186.661 1854.37  186.695 190.499 9.9618 192.069 9.8814 -1.569427      14.03139  
1 1 1 5   0   16 o 138.251 3.2318 945.002  44.101  888.770  123.770 953.179  47.199  132.827 9.5033 138.831 3.4444 -6.003677      10.10828  
1 1 1 5   0   17 o 142.701 1.9470 1005.69  27.423  976.529  38.795  1034.81  38.769  140.565 2.7962 144.704 2.7144 -4.139603      3.896995  
1 1 1 5   0   18 o 81.237  1.3480 325.814  10.809  342.920  16.044  311.598  14.626  83.326  1.9508 79.432  1.8656 3.894012       2.699250  
1 1 1 5   0   19 o 105.718 6.2554 558.371  64.984  576.526  92.047  540.332  91.755  106.800 8.8104 103.292 9.0924 3.508385       12.66078  
1 1 1 5   0   20 o 206.606 2.6335 2110.73  53.705  2159.31  76.300  2063.02  75.605  208.773 3.7027 204.054 3.7538 4.718658       5.272683  
1 1 1 5   0   21 o 43.535  1.5288 93.616   6.5692  101.254  9.7322  87.224   8.9036  45.256  2.1787 41.949  2.1577 3.306839       3.066330  
1 1 1 5   0   22 o 106.268 1.6915 558.097  17.743  579.378  25.811  539.032  24.430  108.197 2.4168 104.367 2.3715 3.829803       3.386012  
1 1 1 5   0   23 o 168.624 2.2776 1407.31  37.908  1395.03  54.153  1419.12  53.084  167.630 3.2729 169.100 3.1804 -1.469238      4.563673  
1 1 1 5   0   24 o 39.364  2.2801 76.979   8.8211  84.746   13.494  71.183   11.656  41.158  3.3507 37.728  3.1592 3.429630       4.605219  
1 1 1 5   1   0  o 310.125 3.9383 4754.78  120.553 4812.00  172.267 4699.87  168.763 311.708 5.5991 308.065 5.5501 3.643707       7.883786  
1 1 1 5   1   1  f 304.448 4.7585 4586.74  142.995 4554.24  217.388 4611.53  189.848 302.823 7.2730 304.959 6.3071 -2.136505      9.626858  
1 1 1 5   1   2  o 97.922  1.4784 473.343  14.289  485.689  20.200  460.980  20.214  99.178  2.0635 96.621  2.1196 2.557106       2.958165  
1 1 1 5   1   3  o 169.217 2.3923 1414.14  39.957  1389.66  54.749  1442.03  58.447  167.694 3.3077 170.813 3.4666 -3.119278      4.791482  
1 1 1 5   1   4  o 162.308 2.1133 1300.80  33.856  1331.08  46.722  1267.32  49.126  164.149 2.8837 160.156 3.1077 3.992844       4.239513  
1 1 1 5   1   5  o 133.649 1.9181 881.872  25.303  942.735  35.059  815.706  36.554  138.162 2.5708 128.505 2.8819 9.656754       3.861964  
1 1 1 5   1   6  o 149.986 2.3677 1110.78  35.052  1075.42  53.671  1137.09  46.287  147.525 3.6859 151.724 3.0908 -4.199249      4.810293  
1 1 1 5   1   7  o 207.029 2.7332 2116.36  55.851  2230.16  72.026  1944.72  88.453  212.490 3.4341 198.367 4.5176 14.12270       5.674696  
1 1 1 5   1   8  o 100.706 1.4873 500.582  14.784  485.461  20.890  515.755  20.926  99.167  2.1342 102.215 2.0741 -3.048096      2.976054  
1 1 1 5   1   9  o 237.537 4.0888 2787.24  95.865  2793.04  244.822 2786.19  104.185 237.168 10.458 237.472 4.4449 -0.3039246     11.36363  
1 1 1 5   1   10 o 149.749 1.9360 1106.94  28.616  1131.81  40.539  1082.24  40.399  151.405 2.7127 148.051 2.7645 3.353638       3.873158  
1 1 1 5   1   11 o 213.609 2.8300 2253.03  59.668  2189.70  84.341  2316.49  84.424  210.528 4.0588 216.543 3.9499 -6.015213      5.663545  
1 1 1 5   1   12 o 443.311 5.1304 9718.63  224.487 9757.03  317.495 9680.25  317.449 443.737 7.2490 441.980 7.2768 1.756348       10.27129  
1 1 1 5   1   13 o 152.502 2.0251 1148.24  30.482  1013.50  42.992  1284.45  43.225  143.238 3.0409 161.266 2.7156 -18.02895      4.076924  
1 1 1 5   1   14 o 293.410 8.2648 4286.38  239.354 4247.41  338.460 4325.37  338.535 290.751 11.794 293.453 11.688 -2.702698      16.60415  
1 1 1 5   1   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   1   16 o 156.618 2.0985 1211.47  32.440  1230.49  46.007  1192.67  45.747  157.783 2.9541 155.337 2.9837 2.446320       4.198740  
1 1 1 5   1   17 o 307.304 3.6895 4672.20  111.911 4440.47  158.207 4904.28  158.325 299.174 5.3576 314.488 5.1005 -15.31357      7.397210  
1 1 1 5   1   18 o 120.544 1.7847 717.575  21.235  663.728  30.168  770.451  29.895  115.891 2.6374 124.874 2.4255 -8.983055      3.583097  
1 1 1 5   1   19 o 121.447 1.7952 728.413  21.520  775.877  31.215  685.419  29.709  125.299 2.5240 117.766 2.5558 7.532524       3.592019  
1 1 1 5   1   20 o 143.435 2.7495 1017.30  38.927  1001.61  40.635  1192.21  135.688 142.310 2.8929 153.604 8.9888 -11.29381      9.442838  
1 1 1 5   1   21 o 55.682  1.5017 153.130  8.2531  153.634  12.197  152.704  11.209  55.749  2.2165 55.587  2.0430 0.1621284      3.014405  
1 1 1 5   1   22 o 164.916 2.2229 1345.16  36.184  1389.04  51.055  1300.88  51.288  167.415 3.0897 161.989 3.2077 5.426285       4.453732  
1 1 1 5   1   23 o 101.039 1.7285 504.643  17.238  529.026  25.229  483.293  23.608  103.364 2.4728 98.802  2.4208 4.561981       3.460536  
1 1 1 5   1   24 o 58.732  6.5378 176.584  37.257  181.975  52.622  171.167  52.756  58.558  9.4241 56.602  9.7977 1.956417       13.59440  
1 1 1 5   2   0  o 149.202 3.3859 1099.96  49.863  1104.58  53.889  1072.52  131.473 149.499 3.6520 146.494 9.1381 3.005234       9.840816  
1 1 1 5   2   1  o 88.348  1.0391 385.257  9.0613  387.990  13.009  382.681  12.629  88.655  1.4866 88.047  1.4532 0.6080322      2.078889  
1 1 1 5   2   2  o 49.126  1.0072 119.120  4.8839  106.521  6.9063  131.722  6.9074  46.452  1.5063 51.657  1.3547 -5.204781      2.025876  
1 1 1 5   2   3  f 55.918  1.0047 154.334  5.5452  152.111  8.5223  155.966  7.3025  55.509  1.5555 56.211  1.3162 -0.7014236     2.037602  
1 1 1 5   2   4  o 191.915 2.5246 1819.08  47.823  1781.60  67.597  1856.64  67.666  189.852 3.6073 193.815 3.5371 -3.962967      5.052094  
1 1 1 5   2   5  o 123.080 1.7968 747.889  21.828  742.540  30.852  753.250  30.887  122.617 2.5492 123.498 2.5339 -0.8816452     3.594295  
1 1 1 5   2   6  o 159.107 2.2464 1249.96  35.278  1280.37  48.491  1215.78  51.420  160.997 3.0515 156.870 3.3209 4.126648       4.509984  
1 1 1 5   2   7  o 129.155 1.7856 823.440  22.763  820.121  34.268  826.061  30.451  128.875 2.6939 129.348 2.3851 -0.4735718     3.598048  
1 1 1 5   2   8  o 217.285 2.6843 2331.09  57.571  2262.19  78.561  2411.00  84.609  214.005 3.7192 220.923 3.8801 -6.918091      5.374708  
1 1 1 5   2   9  o 120.749 1.6439 719.672  19.593  725.896  28.911  714.386  26.643  121.259 2.4156 120.296 2.2439 0.9623718      3.296994  
1 1 1 5   2   10 o 586.355 8.4096 17036.99 486.707 16483.32 1070.48 17181.27 546.455 572.022 18.960 588.532 9.4070 -16.50989      21.16511  
1 1 1 5   2   11 o 360.575 4.4837 6425.13  159.577 6475.46  225.700 6374.83  225.651 361.743 6.3212 358.914 6.3696 2.829437       8.973809  
1 1 1 5   2   12 o 268.561 3.2129 3562.14  85.169  3595.21  120.528 3529.16  120.366 269.707 4.5275 267.215 4.5636 2.492218       6.428460  
1 1 1 5   2   13 o 145.640 6.4549 1050.81  92.790  1042.24  131.236 1059.37  131.213 144.466 9.2522 145.668 9.1728 -1.201569      13.02854  
1 1 1 5   2   14 o 194.617 6.9578 1880.03  133.654 1893.63  189.034 1866.44  188.997 194.512 9.8785 193.086 9.9506 1.425339       14.02137  
1 1 1 5   2   15 o 192.012 2.5396 1821.27  48.131  1746.64  68.009  1896.16  68.126  187.940 3.6662 195.834 3.5245 -7.893616      5.085539  
1 1 1 5   2   16 o 54.889  1.3985 148.737  7.5770  140.044  10.348  158.784  11.125  53.252  1.9688 56.703  1.9877 -3.450806      2.797687  
1 1 1 5   2   17 o 63.660  1.3896 200.075  8.7313  212.759  13.349  190.592  11.543  65.633  2.0607 62.124  1.8824 3.509113       2.790992  
1 1 1 5   2   18 o 59.706  1.3889 175.996  8.1851  168.462  12.137  182.281  11.085  58.400  2.1055 60.754  1.8486 -2.353912      2.801888  
1 1 1 5   2   19 o 130.226 1.8152 837.524  23.332  823.919  33.060  851.024  32.933  129.117 2.5941 131.228 2.5426 -2.110260      3.632339  
1 1 1 5   2   20 o 148.613 2.2478 1091.30  32.971  1088.76  41.291  1095.76  54.773  148.389 2.8191 148.759 3.7304 -0.3702087     4.675804  
1 1 1 5   2   21 o 87.558  1.5182 378.612  13.121  392.710  18.780  365.165  18.340  89.143  2.1344 85.959  2.1617 3.184639       3.037794  
1 1 1 5   2   22 o 164.046 2.5440 1331.53  41.192  1315.92  70.234  1339.71  50.857  162.674 4.3742 164.440 3.1334 -1.766342      5.380642  
1 1 1 5   2   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   2   24 o 47.823  6.5538 117.671  30.122  130.539  42.902  105.160  42.303  49.564  9.1051 44.109  9.9530 5.455238       13.48941  
1 1 1 5   2   25 f 109.334 2.1304 591.775  22.991  548.207  40.420  612.612  27.953  104.849 3.9057 111.168 2.5475 -6.318382      4.663075  
1 1 1 5   3   0  o 11.910  4.2670 5.9028   6.3658  4.8082   9.0112  6.9931   8.9940  12.737  4.9670 13.588  5.0402 -0.8507128     7.076336  
1 1 1 5   3   1  o 110.169 2.2453 599.326  24.416  610.012  25.489  480.436  85.021  111.145 2.3235 97.850  8.9003 13.29469       9.198621  
1 1 1 5   3   2  o 40.450  0.8074 80.757   3.2236  75.291   4.0729  89.923   5.2742  39.056  1.0565 42.682  1.2519 -3.625565      1.638150  
1 1 1 5   3   3  o 72.006  0.9596 255.911  6.8203  241.260  9.5714  271.023  9.7211  69.910  1.3871 74.098  1.3292 -4.187424      1.921108  
1 1 1 5   3   4  o 154.133 1.9519 1172.98  29.695  1147.22  42.980  1196.51  41.075  152.391 2.8574 155.640 2.6738 -3.248749      3.913294  
1 1 1 5   3   5  o 147.680 2.4384 1077.07  35.544  1097.01  52.208  1059.84  48.526  148.985 3.5503 146.450 3.3570 2.534622       4.886094  
1 1 1 5   3   6  o 101.750 1.2921 511.027  12.976  533.992  18.656  489.507  18.060  104.002 1.8174 99.576  1.8375 4.426582       2.584486  
1 1 1 5   3   7  o 203.293 2.9818 2041.08  59.833  2107.06  84.653  1975.22  84.581  206.482 4.1536 199.909 4.2865 6.573288       5.968816  
1 1 1 5   3   8  o 324.065 5.0117 5191.46  160.307 5381.52  213.093 4943.65  243.317 329.750 6.5471 315.862 7.8044 13.88779       10.18695  
1 1 1 5   3   9  o 74.981  1.2061 277.489  8.9263  279.334  12.657  275.663  12.590  75.227  1.7046 74.731  1.7069 0.4960175      2.412305  
1 1 1 5   3   10 o 436.222 5.8885 9409.90  253.539 9448.52  333.154 9356.76  390.830 436.802 7.7273 434.385 9.1155 2.417450       11.95001  
1 1 1 5   3   11 o 287.072 8.1782 4083.82  231.729 4083.82  231.729 0.0000   0.0000  287.072 8.1782 ?       ?      0.000000       8.178199  
1 1 1 5   3   12 o 416.831 5.7584 8594.28  236.916 8197.75  353.709 8916.93  319.064 406.482 8.8160 424.222 7.6199 -17.73959      11.65268  
1 1 1 5   3   13 o 243.109 10.776 2945.54  258.582 2945.54  258.582 0.0000   0.0000  243.109 10.776 ?       ?      0.000000       10.77617  
1 1 1 5   3   14 o 271.183 9.1686 3663.09  245.412 3666.03  300.545 3657.22  425.131 270.661 11.250 267.938 16.151 2.723114       19.68256  
1 1 1 5   3   15 o 330.291 3.9281 5395.56  128.060 5314.73  181.117 5476.38  181.092 327.441 5.6039 332.405 5.5195 -4.964111      7.865668  
1 1 1 5   3   16 o 233.743 3.1300 2700.77  72.213  2801.43  102.366 2601.06  101.884 237.878 4.3598 229.189 4.5038 8.689209       6.268362  
1 1 1 5   3   17 o 67.847  1.3683 227.254  9.1632  234.805  13.564  220.914  12.428  68.952  1.9930 66.884  1.8825 2.068161       2.741515  
1 1 1 5   3   18 o 116.739 1.7329 672.953  19.967  646.235  28.366  699.194  28.112  114.362 2.5129 118.962 2.3941 -4.600380      3.470819  
1 1 1 5   3   19 o 245.200 3.0406 2972.84  73.589  3016.34  104.284 2929.70  103.859 246.757 4.2817 243.178 4.3270 3.579483       6.087327  
1 1 1 5   3   20 o 265.690 3.5879 3494.16  94.092  3540.83  133.343 3447.86  132.791 267.068 5.0584 263.524 5.1052 3.543793       7.186867  
1 1 1 5   3   21 o 107.116 2.3070 567.097  24.391  798.143  98.645  552.051  25.173  125.820 7.9845 105.678 2.4133 20.14127       8.341255  
1 1 1 5   3   22 o 19.877  3.8018 20.252   7.1873  24.198   9.5878  15.191   10.859  21.652  4.6266 17.589  5.5750 4.063768       7.244736  
1 1 1 5   3   23 o 37.087  6.8174 71.463   24.037  74.438   34.803  68.749   33.237  37.331  9.4394 35.911  9.3023 1.420044       13.25272  
1 1 1 5   3   24 o 74.284  1.6076 272.735  11.787  274.183  17.943  271.636  15.633  74.408  2.4431 74.091  2.1377 0.3164444      3.246319  
1 1 1 5   3   25 o 103.434 1.7596 529.058  17.965  554.897  26.311  506.492  24.588  105.817 2.5191 101.106 2.4638 4.711571       3.523712  
1 1 1 5   4   0  o 123.697 6.1811 757.348  75.467  767.514  106.734 747.185  106.718 124.036 8.7747 122.355 8.8975 1.680634       12.49645  
1 1 1 5   4   1  o 152.728 6.4379 1155.76  97.051  1175.42  137.255 1136.10  137.245 153.454 9.1025 150.826 9.2640 2.628250       12.98755  
1 1 1 5   4   2  o 171.254 2.4816 1448.35  41.947  1364.33  68.649  1498.41  52.990  166.111 4.1870 174.157 3.0826 -8.045959      5.199342  
1 1 1 5   4   3  o 110.462 1.4472 602.326  15.779  615.784  22.349  588.951  22.280  111.676 2.0275 109.215 2.0668 2.461273       2.895240  
1 1 1 5   4   4  o 167.860 2.0770 1391.28  34.412  1420.70  45.799  1353.12  52.150  169.595 2.7360 165.487 3.1927 4.108398       4.204632  
1 1 1 5   4   5  o 179.990 2.1726 1599.66  38.597  1562.62  54.566  1636.74  54.605  177.846 3.1084 182.020 3.0393 -4.173355      4.347394  
1 1 1 5   4   6  o 157.941 2.0981 1231.64  32.708  1248.20  46.256  1215.08  46.257  158.965 2.9480 156.840 2.9881 2.124588       4.197552  
1 1 1 5   4   7  o 239.817 3.3256 2840.90  78.720  2851.40  117.412 2832.33  106.100 240.126 4.9538 239.365 4.4908 0.7612000      6.686363  
1 1 1 5   4   8  o 254.158 3.6825 3190.89  92.380  3184.41  164.967 3193.85  111.502 253.642 6.5894 254.222 4.4436 -0.5799408     7.947667  
1 1 1 5   4   9  o 145.429 2.4380 1044.15  34.996  998.451  51.363  1083.74  47.811  142.179 3.6600 148.140 3.2698 -5.960495      4.907889  
1 1 1 5   4   10 o 152.824 2.1740 1152.94  32.793  1114.19  47.733  1187.56  45.128  150.210 3.2195 155.084 2.9481 -4.874329      4.365379  
1 1 1 5   4   11 o 387.162 5.3477 7410.52  204.360 7416.27  275.134 7403.45  305.218 387.037 7.2021 386.559 7.9995 0.4778442      10.76391  
1 1 1 5   4   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   4   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   4   14 o 82.152  1.3632 333.140  11.054  339.933  15.479  326.069  15.792  82.978  1.8899 81.267  1.9688 1.711090       2.729039  
1 1 1 5   4   15 o 148.726 2.0097 1092.23  29.502  1081.09  40.820  1104.42  42.687  147.928 2.7957 149.510 2.8926 -1.582275      4.022786  
1 1 1 5   4   16 o 136.070 1.8658 914.268  25.059  883.439  34.820  947.390  36.091  133.718 2.6382 138.473 2.6406 -4.755112      3.732620  
1 1 1 5   4   17 o 167.012 2.2492 1377.83  37.078  1407.43  51.265  1345.36  53.691  168.729 3.0782 164.946 3.2978 3.783234       4.511204  
1 1 1 5   4   18 o 197.102 2.7192 1920.02  52.901  1935.03  69.473  1899.31  81.611  197.770 3.5589 195.839 4.2220 1.931061       5.521885  
1 1 1 5   4   19 o 259.741 3.3427 3337.19  85.698  3434.83  116.221 3220.83  126.868 263.275 4.4724 254.799 5.0445 8.475677       6.741649  
1 1 1 5   4   20 o 132.737 1.9466 870.283  25.503  890.141  35.896  850.042  36.241  134.189 2.7102 131.124 2.8002 3.064682       3.896916  
1 1 1 5   4   21 o 145.273 2.0774 1042.72  29.788  1006.20  41.791  1080.44  42.472  142.621 2.9687 147.795 2.9114 -5.174606      4.158045  
1 1 1 5   4   22 f 81.539  7.3587 336.731  58.586  351.430  71.923  307.747  100.998 82.823  8.9397 75.454  14.079 7.368896       16.67735  
1 1 1 5   4   23 o 47.365  1.8324 110.886  8.5666  115.998  12.773  106.706  11.549  48.328  2.6883 46.363  2.5334 1.965103       3.693925  
1 1 1 5   4   24 o 52.079  1.8520 134.116  9.5202  140.493  14.924  129.741  12.362  53.156  2.8549 51.185  2.4469 1.970493       3.760050  
1 1 1 5   4   25 o 60.957  1.7092 183.722  10.284  230.521  16.201  152.142  13.308  68.219  2.4061 55.418  2.4330 12.80029       3.421785  
1 1 1 5   5   0  o 252.896 7.6080 3168.24  189.908 3124.96  268.561 3211.53  268.581 250.677 10.854 254.151 10.707 -3.474228      15.24606  
1 1 1 5   5   1  o 151.732 6.4293 1139.76  96.289  1185.15  136.187 1094.39  136.159 154.239 8.9845 148.135 9.3604 6.103821       12.97451  
1 1 1 5   5   2  o 109.207 1.4359 588.690  15.477  561.760  21.834  615.891  21.943  106.669 2.0738 111.691 1.9904 -5.022911      2.874446  
1 1 1 5   5   3  o 102.601 1.3533 519.624  13.705  533.942  19.360  505.239  19.405  103.996 1.8860 101.161 1.9434 2.834969       2.708119  
1 1 1 5   5   4  o 73.118  1.1146 263.878  8.0437  272.874  11.472  255.181  11.281  74.349  1.5633 71.898  1.5897 2.451073       2.229571  
1 1 1 5   5   5  o 212.515 2.5151 2230.31  52.758  2271.28  74.648  2189.41  74.573  214.392 3.5276 210.488 3.5894 3.904419       5.032666  
1 1 1 5   5   6  o 195.849 2.6064 1894.20  50.385  1853.38  71.241  1935.05  71.268  193.662 3.7269 197.887 3.6487 -4.225830      5.215692  
1 1 1 5   5   7  o 375.191 4.9322 6960.32  182.654 6983.27  296.979 6946.35  231.648 375.228 8.0186 374.598 6.2651 0.6301575      10.17594  
1 1 1 5   5   8  o 264.444 3.4949 3454.05  91.222  3399.46  128.985 3508.69  129.031 262.234 4.9833 266.420 4.9067 -4.186615      6.993521  
1 1 1 5   5   9  o 309.627 3.9853 4735.91  121.797 4655.56  172.239 4816.28  172.254 306.835 5.6871 312.097 5.5917 -5.261536      7.975654  
1 1 1 5   5   10 o 317.876 3.8627 4991.16  121.196 4907.20  175.954 5066.95  167.176 315.033 5.6586 320.157 5.2903 -5.124603      7.746411  
1 1 1 5   5   11 o 266.441 4.8672 3508.65  128.000 3644.99  182.512 3376.69  179.562 271.377 6.8137 261.182 6.9653 10.19553       9.743816  
1 1 1 5   5   12 o 51.051  8.8693 133.008  43.070  0.0000   0.0000  133.008  43.070  ?       ?      51.051  8.8693 0.000000       8.869309  
1 1 1 5   5   13 o 111.208 3.0309 610.792  33.269  600.856  35.393  686.210  97.511  110.294 3.2511 117.283 8.4805 -6.988869      9.082347  
1 1 1 5   5   14 o 117.989 1.6712 687.243  19.463  697.682  28.171  677.710  26.921  118.864 2.4011 117.152 2.3281 1.711525       3.344506  
1 1 1 5   5   15 o 110.284 1.6872 600.467  18.366  607.999  27.864  594.682  24.421  110.947 2.5444 109.735 2.2547 1.211800       3.399658  
1 1 1 5   5   16 o 108.072 1.6572 576.659  17.677  592.999  26.651  563.825  23.621  109.563 2.4644 106.843 2.2398 2.720100       3.330202  
1 1 1 5   5   17 o 128.632 1.8386 817.091  23.344  858.569  33.271  776.876  32.761  131.819 2.5572 125.385 2.6472 6.433342       3.680570  
1 1 1 5   5   18 o 50.825  1.8444 127.572  9.2526  137.563  17.354  123.604  10.937  52.632  3.3581 50.021  2.2151 2.610222       4.022901  
1 1 1 5   5   19 o 214.410 2.9189 2272.78  61.773  2259.90  87.456  2285.61  87.266  213.610 4.1480 214.828 4.1155 -1.217682      5.843179  
1 1 1 5   5   20 o 69.184  1.5063 236.343  10.286  238.421  14.574  234.281  14.520  69.470  2.1255 68.864  2.1362 0.6062317      3.013420  
1 1 1 5   5   21 o 102.674 13.416 552.251  132.711 552.251  132.711 0.0000   0.0000  102.674 13.416 ?       ?      0.000000       13.41594  
1 1 1 5   5   22 o 189.995 4.7129 1794.30  88.383  1904.86  192.085 1764.60  99.546  193.057 10.116 188.220 5.3583 4.837097       11.44706  
1 1 1 5   5   23 o 18.988  5.3907 18.473   10.574  18.473   10.574  0.0000   0.0000  18.988  5.3907 ?       ?      0.000000       5.390723  
1 1 1 5   5   24 o 104.879 1.8178 543.857  18.817  505.680  27.412  577.880  25.878  101.011 2.7494 108.032 2.4269 -7.020775      3.667262  
1 1 1 5   5   25 f 71.216  1.7629 250.796  12.392  250.443  18.037  251.111  17.053  71.087  2.5707 71.198  2.4266 -0.1108932     3.535077  
1 1 1 5   5   26 o 53.317  2.0144 140.716  10.601  131.598  15.847  148.101  14.262  51.357  3.1412 54.639  2.6445 -3.282478      4.106176  
1 1 1 5   6   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   6   1  o 231.574 4.6594 2650.25  106.501 2671.14  119.373 2568.79  235.774 232.445 5.2030 227.342 10.507 5.102386       11.72477  
1 1 1 5   6   2  o 388.353 4.6690 7454.84  178.973 7562.37  243.605 7328.73  263.811 390.891 6.3139 384.689 6.9478 6.201843       9.388184  
1 1 1 5   6   3  o 277.783 3.5737 3812.05  97.985  3842.31  138.610 3781.83  138.534 278.743 5.0380 276.537 5.0754 2.206696       7.151283  
1 1 1 5   6   4  o 156.715 2.1404 1212.54  33.109  1224.14  46.834  1200.96  46.812  157.432 3.0139 155.933 3.0415 1.498856       4.281863  
1 1 1 5   6   5  o 143.181 2.1252 1012.15  30.035  997.960  42.475  1026.34  42.476  142.145 3.0274 144.154 2.9853 -2.008835      4.251716  
1 1 1 5   6   6  o 97.730  1.5867 471.464  15.306  455.467  20.200  493.026  23.453  96.050  2.1307 99.928  2.3778 -3.877373      3.192778  
1 1 1 5   6   7  o 178.172 2.8040 1567.58  49.311  1537.75  69.734  1597.42  69.739  176.416 4.0047 179.810 3.9294 -3.393845      5.610557  
1 1 1 5   6   8  o 235.374 3.2543 2736.04  75.604  2700.10  113.150 2765.02  101.618 233.719 4.9049 236.552 4.3522 -2.832626      6.557389  
1 1 1 5   6   9  o 159.828 2.0290 1261.01  32.008  1328.94  45.364  1193.65  45.170  164.058 2.8014 155.479 2.9434 8.578598       4.063431  
1 1 1 5   6   10 o 208.100 2.7926 2138.22  57.361  2182.92  79.514  2089.71  82.828  210.221 3.8321 205.671 4.0801 4.549194       5.597500  
1 1 1 5   6   11 o 353.855 9.1243 6212.08  318.681 6147.09  450.678 6277.07  450.689 351.051 13.007 354.783 12.870 -3.731415      18.29781  
1 1 1 5   6   12 o 281.357 7.9851 3924.00  221.753 3979.45  313.642 3868.58  313.571 282.730 11.239 278.730 11.398 4.000641       16.00703  
1 1 1 5   6   13 o 160.028 2.2525 1264.36  35.580  1314.62  48.116  1203.72  52.852  163.153 2.9879 156.102 3.4302 7.051086       4.549009  
1 1 1 5   6   14 f 271.629 3.4323 3645.64  92.022  3651.45  125.084 3638.77  135.862 271.708 4.6641 271.181 5.0758 0.5270081      6.893292  
1 1 1 5   6   15 o 88.356  1.4625 385.384  12.755  366.768  18.353  402.774  17.739  86.181  2.1576 90.317  1.9899 -4.135315      2.935085  
1 1 1 5   6   16 o 146.631 1.9992 1061.77  28.935  1086.09  42.422  1040.62  39.566  148.248 2.8991 145.120 2.7622 3.127472       4.004380  
1 1 1 5   6   17 o 154.939 2.2537 1185.86  34.466  1181.89  47.029  1190.47  50.657  154.617 3.0816 155.156 3.3078 -0.5392914     4.520821  
1 1 1 5   6   18 o 213.564 2.7958 2254.41  58.934  2274.81  86.957  2237.08  80.149  214.336 4.1103 212.600 3.8194 1.736374       5.610977  
1 1 1 5   6   19 o 129.409 1.8925 827.103  24.173  848.749  33.724  804.230  34.667  131.047 2.6072 127.553 2.7535 3.493675       3.792039  
1 1 1 5   6   20 o 58.292  9.5479 175.333  53.032  0.0000   0.0000  175.333  53.032  ?       ?      58.292  9.5479 0.000000       9.547935  
1 1 1 5   6   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   6   22 o 49.565  1.8932 121.376  9.2621  104.033  13.806  135.571  12.490  45.743  3.0756 52.364  2.4166 -6.621559      3.911403  
1 1 1 5   6   23 o 94.690  1.6808 443.015  15.709  409.197  22.995  472.611  21.511  90.934  2.5619 97.759  2.2294 -6.824440      3.396117  
1 1 1 5   6   24 o 100.039 1.7768 494.753  17.545  464.688  25.308  522.569  24.344  96.850  2.6475 102.740 2.4006 -5.889587      3.573770  
1 1 1 5   6   25 o 42.338  2.2603 89.004   9.4115  77.464   14.013  98.488   12.703  39.284  3.6558 44.457  2.9110 -5.173374      4.673221  
1 1 1 5   6   26 o 36.534  2.7457 66.603   9.8287  63.132   15.164  69.117   12.907  35.244  4.4587 37.085  3.5703 -1.840469      5.711990  
1 1 1 5   7   0  o 172.075 6.6514 1465.00  112.970 1439.41  159.738 1490.60  159.788 170.074 9.5544 173.105 9.3870 -3.031433      13.39409  
1 1 1 5   7   1  o 131.247 1.9855 850.322  25.721  905.707  44.658  822.830  31.464  135.425 3.3409 129.100 2.4692 6.325531       4.154391  
1 1 1 5   7   2  o 298.736 4.9748 4411.09  146.687 4641.33  345.122 4360.32  162.053 305.427 11.448 296.958 5.5288 8.469177       12.71319  
1 1 1 5   7   3  o 399.783 4.5901 7898.83  181.128 7742.90  256.146 8054.78  256.160 395.528 6.5611 403.438 6.4328 -7.909637      9.188549  
1 1 1 5   7   4  o 259.088 3.1841 3315.20  81.427  3205.15  110.350 3446.76  120.647 254.668 4.3900 264.073 4.6287 -9.404190      6.379437  
1 1 1 5   7   5  o 74.838  1.0971 276.434  8.1039  288.762  10.813  260.639  12.240  76.487  1.4323 72.664  1.7066 3.822311       2.227989  
1 1 1 5   7   6  o 287.849 3.5549 4092.80  101.002 4006.10  137.125 4195.63  149.331 284.671 4.8802 291.294 5.1938 -6.623291      7.126883  
1 1 1 5   7   7  o 265.732 3.1565 3487.25  82.790  3424.44  117.056 3550.12  117.109 263.237 4.5052 268.030 4.4267 -4.793396      6.316010  
1 1 1 5   7   8  o 84.838  1.4862 355.258  12.446  341.241  16.837  372.142  18.479  83.142  2.0517 86.824  2.1563 -3.681717      2.976378  
1 1 1 5   7   9  o 317.194 3.8063 4969.83  119.167 4940.33  164.394 5002.50  172.990 316.122 5.2686 318.079 5.5100 -1.957428      7.623569  
1 1 1 5   7   10 o 355.429 9.1481 6267.01  320.934 6233.28  453.789 6300.76  453.950 353.539 13.004 355.466 12.938 -1.927124      18.34414  
1 1 1 5   7   11 o 210.796 7.1069 2200.20  147.869 2082.63  209.998 2315.82  208.251 204.435 10.442 215.946 9.7703 -11.51140      14.30001  
1 1 1 5   7   12 f 213.198 2.9243 2244.54  61.538  2113.76  97.594  2330.86  79.287  206.790 4.7815 217.220 3.6980 -10.42949      6.044641  
1 1 1 5   7   13 o 375.048 5.8367 6961.32  216.065 6769.24  327.652 7109.11  287.412 369.129 8.9929 378.619 7.6908 -9.489319      11.83302  
1 1 1 5   7   14 o 122.403 2.4944 739.886  30.136  762.099  107.237 737.982  31.401  123.456 8.8592 122.242 2.6025 1.214005       9.233598  
1 1 1 5   7   15 o 83.242  1.6281 342.090  13.377  342.170  16.665  341.945  22.428  83.244  2.0283 83.198  2.7311 0.4563141E-01  3.401927  
1 1 1 5   7   16 o 285.699 3.8854 4038.13  109.565 4080.10  138.358 3967.56  179.422 286.976 4.8846 282.592 6.4326 4.384674       8.076921  
1 1 1 5   7   17 o 73.395  1.4406 265.956  10.436  252.305  15.560  277.116  14.069  71.468  2.2058 74.909  1.9029 -3.440453      2.913190  
1 1 1 5   7   18 o 203.299 2.6837 2042.71  53.852  2088.75  73.188  1988.37  79.522  205.456 3.6090 200.395 4.0204 5.061264       5.402645  
1 1 1 5   7   19 o 60.165  6.3189 182.111  36.964  189.025  52.635  175.383  51.922  60.724  9.0590 58.384  9.3237 2.340088       12.99994  
1 1 1 5   7   20 o 126.597 6.4732 800.652  80.616  797.413  115.361 803.743  112.702 125.511 9.3798 126.098 9.1164 -0.5872345     13.08015  
1 1 1 5   7   21 o 33.323  2.7703 55.287   9.0293  52.320   14.348  57.233   11.618  32.141  4.6586 33.817  3.5328 -1.675972      5.846630  
1 1 1 5   7   22 o 127.729 2.1907 806.359  27.618  818.255  35.076  786.951  44.803  128.612 2.7631 126.024 3.6018 2.587982       4.539548  
1 1 1 5   7   23 o 18.241  4.4741 17.208   7.9941  21.124   12.676  14.622   10.300  20.352  5.9408 17.220  5.4266 3.132221       8.046247  
1 1 1 5   7   24 o 58.846  2.1651 171.327  12.576  246.930  76.326  169.217  12.750  67.442  11.901 58.480  2.2089 8.962299       12.10424  
1 1 1 5   7   25 o 78.131  1.7714 301.882  13.661  262.128  19.753  338.326  18.913  72.699  2.7528 82.652  2.3183 -9.952644      3.598962  
1 1 1 5   7   26 o 80.476  1.7632 320.348  14.005  337.565  21.111  306.813  18.717  82.502  2.5924 78.680  2.4102 3.821609       3.539706  
1 1 1 5   8   0  o 248.139 7.5563 3049.29  185.071 3000.10  261.686 3098.51  261.774 245.688 10.791 249.712 10.621 -4.024536      15.14088  
1 1 1 5   8   1  o 232.573 2.8419 2670.71  65.237  2677.23  92.282  2664.21  92.236  232.801 4.0160 232.234 4.0238 0.5669708      5.685068  
1 1 1 5   8   2  o 33.601  1.1643 55.724   3.8613  59.686   4.3813  41.940   8.1718  34.775  1.2765 29.000  2.8935 5.774542       3.162504  
1 1 1 5   8   3  o 73.993  1.4631 270.231  10.685  304.767  86.880  269.701  10.767  77.407  11.740 73.920  1.4757 3.486984       11.83201  
1 1 1 5   8   4  o 121.497 1.6667 728.641  19.987  715.127  28.278  742.132  28.255  120.355 2.3804 122.607 2.3348 -2.252243      3.334310  
1 1 1 5   8   5  o 266.287 3.1620 3501.74  83.110  3427.32  117.515 3576.21  117.554 263.354 4.5209 269.021 4.4271 -5.666626      6.327509  
1 1 1 5   8   6  o 68.048  1.0458 228.539  7.0242  220.391  9.9870  236.516  9.8813  66.821  1.5142 69.223  1.4462 -2.401756      2.093892  
1 1 1 5   8   7  o 179.311 2.6412 1587.48  46.746  1647.16  66.181  1528.06  66.036  182.612 3.6718 175.881 3.8039 6.730942       5.286908  
1 1 1 5   8   8  o 132.174 1.8094 862.359  23.606  862.666  33.348  862.050  33.421  132.184 2.5560 132.137 2.5625 0.4731750E-01  3.619274  
1 1 1 5   8   9  o 112.467 6.1330 627.568  67.825  661.770  95.975  593.445  95.863  115.228 8.4985 109.017 8.9891 6.211540       12.37047  
1 1 1 5   8   10 o 178.946 6.7300 1584.96  118.869 1549.67  168.078 1620.28  168.135 176.405 9.6903 180.425 9.4744 -4.020691      13.55231  
1 1 1 5   8   11 o 318.753 3.8215 5019.37  120.231 5044.90  169.956 4993.80  170.110 319.404 5.3909 317.778 5.4234 1.625732       7.646919  
1 1 1 5   8   12 o 457.639 5.6088 10360.22 253.353 10460.66 358.292 10259.78 358.300 459.321 7.9029 454.869 7.9804 4.452423       11.23136  
1 1 1 5   8   13 o 245.699 3.2741 2982.03  79.400  2977.92  112.322 2986.15  112.256 245.414 4.6369 245.754 4.6278 -0.3399658     6.551179  
1 1 1 5   8   14 o 281.743 3.3710 3922.34  93.743  3956.81  132.662 3887.96  132.485 282.806 4.7525 280.329 4.7881 2.476318       6.746301  
1 1 1 5   8   15 o 197.059 6.9765 1929.19  135.696 1838.86  191.736 2019.82  192.071 191.419 10.185 201.023 9.6802 -9.603973      14.05117  
1 1 1 5   8   16 o 117.755 1.7480 684.674  20.316  688.974  28.923  680.487  28.544  118.094 2.4813 117.365 2.4640 0.7288208      3.496891  
1 1 1 5   8   17 o 96.653  1.6714 461.283  15.945  453.229  21.746  470.649  23.451  95.782  2.3002 97.600  2.4343 -1.817329      3.349129  
1 1 1 5   8   18 o 179.939 3.4596 1601.92  61.445  1648.27  83.316  1546.66  90.983  182.344 4.6292 176.527 5.2218 5.816971       6.978259  
1 1 1 5   8   19 o 87.988  6.3154 387.396  54.483  403.927  77.096  370.904  77.005  89.275  8.8665 85.403  9.2847 3.872261       12.83826  
1 1 1 5   8   20 o 132.339 2.1763 865.305  28.428  877.460  35.837  844.678  46.687  133.223 2.7253 130.622 3.6211 2.600449       4.532092  
1 1 1 5   8   21 o 95.578  1.7273 451.192  16.295  470.681  23.705  433.733  22.437  97.581  2.4612 93.675  2.4266 3.906242       3.456322  
1 1 1 5   8   22 o 63.410  1.5704 198.588  9.8289  210.951  16.934  192.307  12.070  65.309  2.6270 62.386  1.9602 2.923130       3.277680  
1 1 1 5   8   23 o 68.445  1.7417 231.480  11.766  253.016  18.102  215.723  15.484  71.508  2.5647 66.040  2.3754 5.467567       3.495730  
1 1 1 5   8   24 o 88.023  1.7860 383.028  15.517  382.060  23.080  383.826  20.961  87.822  2.6626 88.054  2.4118 -0.2322464     3.592487  
1 1 1 5   8   25 o 67.292  3.6784 226.136  24.339  226.136  24.339  0.0000   0.0000  67.292  3.6784 ?       ?      0.000000       3.678391  
1 1 1 5   8   26 o 79.663  6.4591 324.786  50.351  330.577  71.046  318.942  71.370  78.915  9.2996 77.355  9.5502 1.560341       13.33000  
1 1 1 5   9   0  o 310.873 3.6812 4773.99  112.956 4828.23  159.785 4719.81  159.703 312.489 5.1805 308.954 5.2370 3.534607       7.366386  
1 1 1 5   9   1  o 196.774 2.4184 1911.62  46.972  1938.81  66.455  1884.48  66.401  198.132 3.3981 195.335 3.4440 2.797516       4.838207  
1 1 1 5   9   2  o 157.268 1.9801 1220.92  30.737  1194.65  43.468  1247.20  43.470  155.547 2.8312 158.932 2.7710 -3.385895      3.961613  
1 1 1 5   9   3  o 165.568 2.0546 1353.21  33.577  1363.92  47.532  1342.55  47.438  166.200 2.8975 164.892 2.9147 1.307419       4.109848  
1 1 1 5   9   4  o 120.018 8.8318 718.100  103.888 676.617  146.853 759.659  146.987 115.770 13.081 122.904 12.281 -7.134743      17.94254  
1 1 1 5   9   5  o 318.118 4.3960 5000.35  138.031 5075.50  185.776 4907.74  206.234 320.348 5.8754 314.916 6.6349 5.431793       8.862342  
1 1 1 5   9   6  o 299.363 4.0728 4427.43  120.344 4503.59  161.848 4333.26  179.975 301.804 5.4331 295.963 6.1609 5.840668       8.214314  
1 1 1 5   9   7  o 101.732 1.6591 510.856  16.660  556.104  23.071  461.545  24.084  106.135 2.2022 96.687  2.5236 9.448303       3.349422  
1 1 1 5   9   8  o 189.177 2.9807 1767.20  55.656  1734.09  78.685  1800.35  78.734  187.341 4.2553 190.890 4.1788 -3.549774      5.964012  
1 1 1 5   9   9  o 221.100 7.1905 2420.78  156.921 2376.70  221.874 2464.90  221.967 218.691 10.279 222.739 10.096 -4.048035      14.40788  
1 1 1 5   9   10 o 208.014 2.6185 2136.46  53.762  2169.56  76.065  2103.42  75.998  209.572 3.6772 206.349 3.7313 3.222305       5.238768  
1 1 1 5   9   11 o 200.336 2.4251 1981.50  47.955  1985.11  67.807  1977.89  67.829  200.478 3.4267 200.113 3.4341 0.3650970      4.851280  
1 1 1 5   9   12 o 44.129  1.9951 96.136   8.6901  85.348   12.468  106.328  12.119  41.457  3.0687 46.327  2.6615 -4.870335      4.062090  
1 1 1 5   9   13 o 360.423 4.7610 6424.75  169.374 6534.88  239.553 6314.67  239.508 363.123 6.6837 356.927 6.7984 6.196533       9.533622  
1 1 1 5   9   14 f 318.862 4.2564 5028.41  133.962 5123.28  199.201 4950.09  181.006 321.456 6.2782 316.082 5.8018 5.373901       8.548475  
1 1 1 5   9   15 o 317.039 3.7931 4970.91  118.697 5013.25  167.844 4928.55  167.882 318.060 5.3464 315.350 5.3936 2.709656       7.594419  
1 1 1 5   9   16 o 141.917 2.7126 995.251  37.997  982.925  39.701  1129.61  131.079 141.026 2.8522 150.005 8.8927 -8.978836      9.338931  
1 1 1 5   9   17 o 136.415 1.9631 919.099  26.432  908.850  36.278  930.695  38.590  135.605 2.7104 137.214 2.8493 -1.609390      3.932563  
1 1 1 5   9   18 o 279.660 8.1050 3914.80  223.727 3892.20  316.211 3937.46  316.584 276.839 11.572 278.481 11.518 -1.642181      16.32696  
1 1 1 5   9   19 o 46.395  1.9885 106.326  9.1058  95.736   12.759  117.320  13.000  43.900  2.9618 48.640  2.7187 -4.739426      4.020355  
1 1 1 5   9   20 o 94.650  1.5476 442.388  14.458  435.665  21.125  448.311  19.831  93.896  2.2794 95.258  2.1091 -1.361725      3.105504  
1 1 1 5   9   21 o 81.259  1.7120 326.131  13.731  325.533  19.258  326.749  19.583  81.153  2.4042 81.302  2.4403 -0.1494446     3.425696  
1 1 1 5   9   22 o 75.477  1.7778 281.426  13.244  287.725  18.561  274.892  18.904  76.281  2.4652 74.555  2.5688 1.726715       3.560377  
1 1 1 5   9   23 o 93.799  2.0171 434.921  18.675  416.880  23.520  465.696  30.719  91.784  2.5962 96.939  3.2105 -5.155754      4.128835  
1 1 1 5   9   24 o 40.864  2.3312 82.917   9.3639  84.288   14.444  81.923   12.298  41.031  3.6030 40.523  3.0982 0.5081978      4.751924  
1 1 1 5   9   25 o 49.634  2.6779 122.520  13.070  122.002  17.419  123.187  19.773  49.376  3.5989 49.520  4.0816 -0.1437874     5.441710  
1 1 1 5   9   26 o 46.735  8.0424 115.799  35.761  131.916  44.181  85.182   60.896  49.382  9.4078 39.316  13.248 10.06689       16.24851  
1 1 1 5   9   27 o 73.698  1.9417 268.948  14.124  283.112  23.973  261.417  17.481  75.392  3.2215 72.588  2.4398 2.803940       4.041161  
1 1 1 5   10  0  o 187.120 2.3556 1728.78  43.507  1740.53  61.549  1717.04  61.507  187.714 3.3219 186.442 3.3423 1.271896       4.712358  
1 1 1 5   10  1  o 181.664 2.2626 1629.30  40.571  1593.22  57.302  1665.57  57.451  179.606 3.2323 183.642 3.1695 -4.035751      4.527000  
1 1 1 5   10  2  o 124.180 1.5285 761.161  18.734  733.470  26.593  788.446  26.397  121.890 2.2104 126.377 2.1162 -4.487198      3.060046  
1 1 1 5   10  3  o 168.945 2.1343 1409.06  35.590  1429.57  50.339  1388.56  50.325  170.145 2.9974 167.686 3.0406 2.459610       4.269619  
1 1 1 5   10  4  o 368.128 4.3132 6696.25  156.721 6681.62  221.630 6710.89  221.646 367.499 6.1100 368.305 6.0970 -0.8057556     8.631653  
1 1 1 5   10  5  o 199.321 6.9601 1966.93  136.931 1983.01  193.673 1950.86  193.627 199.821 9.8196 198.185 9.8984 1.636551       13.94281  
1 1 1 5   10  6  o 182.698 2.4070 1647.92  43.404  1604.22  64.493  1684.10  58.684  180.216 3.6257 184.665 3.2196 -4.448837      4.848833  
1 1 1 5   10  7  o 202.392 2.3697 2022.34  47.339  2022.62  66.936  2022.05  66.958  202.368 3.3511 202.340 3.3526 0.2864075E-01  4.740244  
1 1 1 5   10  8  o 230.637 7.3279 2634.85  166.818 2683.47  235.935 2586.25  235.898 232.343 10.288 228.064 10.479 4.278137       14.68533  
1 1 1 5   10  9  o 71.765  1.9713 254.241  13.964  291.764  21.567  227.160  18.322  76.867  2.8426 67.826  2.7368 9.040642       3.945971  
1 1 1 5   10  10 o 367.672 4.1639 6679.34  151.109 6680.22  213.691 6678.46  213.710 367.481 5.8914 367.432 5.8927 0.4864502E-01  8.332609  
1 1 1 5   10  11 o 432.880 5.0137 9266.28  214.218 9227.13  302.960 9305.42  302.940 431.529 7.1128 433.363 7.0823 -1.834442      10.03746  
1 1 1 5   10  12 o 163.839 2.1750 1325.31  35.172  1345.83  49.708  1304.74  49.775  165.068 3.0509 162.526 3.1028 2.541992       4.351479  
1 1 1 5   10  13 o 205.428 2.9125 2084.56  59.056  2115.85  79.402  2045.82  88.348  206.892 3.8882 203.394 4.4007 3.498352       5.872382  
1 1 1 5   10  14 o 91.853  1.3596 416.477  12.326  472.307  17.724  364.182  17.154  97.806  1.8360 85.880  2.0236 11.92593       2.732374  
1 1 1 5   10  15 o 130.502 1.8535 840.959  23.875  861.205  32.827  818.225  34.786  132.034 2.5189 128.685 2.7387 3.348557       3.720965  
1 1 1 5   10  16 o 110.347 1.5697 601.205  17.097  615.367  24.026  586.676  24.335  111.615 2.1808 108.978 2.2623 2.636650       3.142313  
1 1 1 5   10  17 o 185.812 6.8901 1721.02  126.367 1804.46  178.804 1637.76  178.615 189.149 9.6088 179.976 10.095 9.173111       13.93729  
1 1 1 5   10  18 o 59.264  2.1101 173.509  12.343  161.919  17.530  184.906  17.383  57.131  3.1204 61.153  2.8798 -4.021339      4.246229  
1 1 1 5   10  19 o 34.711  1.4061 59.491   4.8175  59.172   5.0052  63.506   17.756  34.617  1.4649 35.379  5.2435 -0.7619171     5.444264  
1 1 1 5   10  20 o 74.761  1.5518 276.005  11.451  260.063  15.460  295.383  17.044  72.548  2.1589 77.315  2.2335 -4.766563      3.106369  
1 1 1 5   10  21 o 125.001 1.9396 771.964  23.931  747.585  33.608  797.038  34.085  122.944 2.7695 126.950 2.7201 -4.006142      3.881947  
1 1 1 5   10  22 o 48.872  2.3809 118.093  11.485  111.765  15.877  125.041  16.635  47.376  3.4182 50.129  3.3818 -2.753021      4.808346  
1 1 1 5   10  23 o 95.114  1.8215 447.084  17.100  428.916  23.802  466.467  24.584  93.096  2.5902 97.089  2.5654 -3.992310      3.645624  
1 1 1 5   10  24 o 81.708  1.8448 330.087  14.878  312.737  20.720  348.556  21.378  79.455  2.6420 83.889  2.5818 -4.433838      3.694045  
1 1 1 5   10  25 o 83.596  6.4105 356.627  52.491  322.895  74.310  390.220  74.158  77.783  9.9036 86.232  8.8375 -8.448746      13.27338  
1 1 1 5   10  26 o 60.287  2.0180 179.950  12.008  189.485  53.753  179.449  12.320  59.298  9.5049 60.198  2.0734 -0.8996162     9.728411  
1 1 1 5   10  27 o 33.126  3.6542 55.454   11.749  64.096   17.614  48.526   15.770  35.251  5.2202 30.526  5.4330 4.724636       7.534442  
1 1 1 5   11  0  o 170.709 2.1976 1438.93  37.029  1451.33  52.410  1426.57  52.324  171.400 3.0979 169.930 3.1196 1.469482       4.396444  
1 1 1 5   11  1  o 37.392  1.0076 69.008   3.7187  73.599   5.0813  63.713   5.4568  38.614  1.3332 35.926  1.5388 2.688004       2.036017  
1 1 1 5   11  2  o 230.087 2.7947 2614.34  63.469  2603.52  89.766  2625.17  89.750  229.536 3.9621 230.489 3.9450 -0.9536133     5.591219  
1 1 1 5   11  3  o 120.559 1.5853 717.442  18.864  705.676  26.678  729.207  26.678  119.555 2.2608 121.532 2.2239 -1.977730      3.171296  
1 1 1 5   11  4  o 36.792  1.2695 66.811   4.6100  66.311   6.5317  67.308   6.5073  36.651  1.8055 36.926  1.7854 -0.2746048     2.539210  
1 1 1 5   11  5  o 307.553 3.6579 4672.38  111.042 4670.83  157.057 4673.94  157.016 307.362 5.1770 307.465 5.1739 -0.1025696     7.319154  
1 1 1 5   11  6  o 246.719 4.3424 3008.20  105.747 2964.74  115.442 3234.82  263.610 244.894 4.7759 254.997 10.474 -10.10220      11.51106  
1 1 1 5   11  7  o 223.701 7.2596 2479.31  160.293 2492.11  226.736 2466.52  226.640 223.843 10.262 222.682 10.311 1.160690       14.54784  
1 1 1 5   11  8  o 179.882 4.0646 1598.69  72.166  1560.94  79.318  1780.15  173.908 177.721 4.5217 189.367 9.3043 -11.64590      10.34480  
1 1 1 5   11  9  o 188.330 3.0093 1751.52  55.939  1673.65  97.840  1789.34  68.183  183.969 5.3881 190.325 3.6295 -6.356400      6.496560  
1 1 1 5   11  10 o 231.231 2.7985 2640.45  63.871  2646.46  90.277  2634.43  90.378  231.420 3.9523 230.892 3.9657 0.5277100      5.598859  
1 1 1 5   11  11 o 143.569 2.1306 1017.66  30.192  1033.69  42.590  1001.47  42.806  144.667 2.9826 142.392 3.0457 2.275116       4.262909  
1 1 1 5   11  12 o 282.915 3.7748 3955.96  105.410 3941.16  149.053 3970.77  149.092 282.177 5.3516 283.238 5.3330 -1.061066      7.555171  
1 1 1 5   11  13 o 115.559 1.5506 659.235  17.687  686.903  25.057  631.762  24.969  117.943 2.1524 113.108 2.2365 4.835480       3.104018  
1 1 1 5   11  14 o 139.909 1.9336 966.558  26.702  952.876  37.664  980.384  37.862  138.876 2.7477 140.868 2.7230 -1.991684      3.868405  
1 1 1 5   11  15 o 167.752 2.2291 1390.00  36.909  1432.35  50.219  1340.25  54.429  170.230 2.9888 164.634 3.3495 5.596649       4.489083  
1 1 1 5   11  16 o 131.880 6.4144 865.447  83.497  871.614  117.277 859.107  118.904 131.509 9.0907 130.497 9.2920 1.011429       12.99931  
1 1 1 5   11  17 o 109.816 3.3505 596.660  36.317  622.685  96.543  592.370  39.196  111.013 8.8852 109.397 3.6300 1.616409       9.598067  
1 1 1 5   11  18 o 107.419 1.7051 569.853  18.079  570.162  24.635  569.493  26.614  107.416 2.3236 107.341 2.5120 0.7468414E-01  3.421835  
1 1 1 5   11  19 o 203.280 2.6185 2042.89  52.539  2024.76  74.079  2061.23  74.525  202.199 3.7118 204.014 3.7009 -1.814651      5.241563  
1 1 1 5   11  20 o 136.571 1.9420 921.425  26.178  897.813  37.826  943.130  36.265  134.731 2.8444 138.108 2.6604 -3.377243      3.894605  
1 1 1 5   11  21 o 58.908  1.9734 171.459  11.474  167.229  15.853  176.114  16.630  58.145  2.7623 59.666  2.8237 -1.521702      3.950115  
1 1 1 5   11  22 o 101.817 1.9212 512.271  19.307  502.753  26.964  522.286  27.659  100.803 2.7100 102.741 2.7275 -1.937874      3.844887  
1 1 1 5   11  23 o 39.964  1.3589 78.882   5.3602  82.120   5.7819  59.080   14.298  40.774  1.4367 34.195  4.3335 6.578403       4.565431  
1 1 1 5   11  24 o 55.740  6.9038 159.620  37.171  154.733  52.319  164.601  52.818  53.670  10.250 55.490  10.012 -1.820110      14.32844  
1 1 1 5   11  25 o 47.743  2.7334 113.463  12.827  112.027  18.227  114.871  18.055  47.220  3.9470 47.838  3.8565 -0.6187401     5.518277  
1 1 1 5   11  26 o 52.643  3.1671 138.389  16.380  141.477  19.729  131.540  29.387  53.097  3.7893 50.556  6.0066 2.541214       7.101950  
1 1 1 5   11  27 o 103.581 6.5437 552.839  66.558  562.517  93.803  543.027  94.454  102.251 9.3995 100.217 9.6687 2.033791       13.48462  
1 1 1 5   12  0  o 82.495  1.3195 335.938  10.744  317.533  18.731  344.963  13.116  80.182  2.3668 83.591  1.5897 -3.409302      2.851123  
1 1 1 5   12  1  o 75.355  1.0575 280.280  7.8652  298.399  11.260  263.017  10.991  77.748  1.4673 72.993  1.5255 4.755646       2.116660  
1 1 1 5   12  2  o 249.241 3.0299 3068.81  74.538  3035.64  105.341 3102.06  105.486 247.766 4.3075 250.466 4.2669 -2.700729      6.063057  
1 1 1 5   12  3  o 37.249  1.1972 68.484   4.4018  68.726   6.1103  68.224   6.3467  37.312  1.6591 37.175  1.7296 0.1368294      2.396735  
1 1 1 5   12  4  o 132.906 1.7194 871.988  22.556  905.639  31.987  838.705  31.812  135.430 2.3929 130.327 2.4730 5.103012       3.441191  
1 1 1 5   12  5  f 215.961 2.6690 2303.14  56.893  2292.94  80.419  2313.35  80.500  215.417 3.7822 216.374 3.7693 -0.9575348     5.339716  
1 1 1 5   12  6  o 19.936  6.3473 19.263   14.064  17.390   19.811  21.167   19.970  20.700  7.5126 21.837  7.5802 -1.137722      10.67230  
1 1 1 5   12  7  o 270.473 7.8790 3629.34  210.344 3575.97  297.454 3682.73  297.489 267.749 11.255 271.758 11.091 -4.009125      15.80139  
1 1 1 5   12  8  f 141.997 1.9193 995.413  26.901  1018.87  38.368  972.734  37.727  143.638 2.7063 140.348 2.7234 3.290359       3.839356  
1 1 1 5   12  9  o 255.908 3.2134 3235.02  81.168  3331.98  110.155 3119.84  120.062 259.620 4.2987 251.163 4.8430 8.456955       6.475608  
1 1 1 5   12  10 o 322.204 4.1660 5132.09  132.491 5125.95  187.397 5138.22  187.344 321.740 5.9010 322.126 5.8922 -0.3864746     8.339077  
1 1 1 5   12  11 o 89.606  1.5419 396.358  13.637  423.096  19.610  371.319  18.977  92.568  2.1462 86.718  2.2171 5.850365       3.085731  
1 1 1 5   12  12 o 118.059 1.8837 688.161  21.951  690.834  31.025  685.481  31.061  118.262 2.6579 117.803 2.6713 0.4596024      3.768302  
1 1 1 5   12  13 o 164.638 2.4061 1338.82  39.100  1308.87  55.302  1368.76  55.290  162.716 3.4433 166.403 3.3663 -3.687363      4.815394  
1 1 1 5   12  14 o 96.412  1.7644 458.975  16.790  474.711  29.734  451.609  20.344  97.999  3.0740 95.623  2.1555 2.376038       3.754426  
1 1 1 5   12  15 o 218.440 7.2619 2378.88  156.572 2396.12  221.299 2361.61  221.553 218.128 10.279 216.514 10.367 1.614212       14.59885  
1 1 1 5   12  16 o 93.599  6.1973 437.850  56.930  461.812  80.367  413.716  80.655  95.593  8.6100 90.290  9.1778 5.302856       12.58429  
1 1 1 5   12  17 o 137.971 1.9513 940.308  26.573  929.035  37.477  951.706  37.685  137.078 2.7699 138.742 2.7519 -1.664124      3.904465  
1 1 1 5   12  18 o 153.218 2.6877 1160.68  40.647  991.410  134.075 1177.82  42.654  139.739 9.7824 154.333 2.8001 -14.59398      10.17528  
1 1 1 5   12  19 o 183.685 2.4875 1667.90  45.099  1656.05  63.589  1679.90  63.972  182.880 3.5227 184.193 3.5187 -1.312622      4.979067  
1 1 1 5   12  20 o 43.976  2.2420 95.827   9.6993  92.001   12.951  100.714  14.637  43.009  3.0710 44.982  3.3202 -1.972523      4.522630  
1 1 1 5   12  21 o 165.353 2.4528 1351.93  40.032  1340.93  56.660  1362.89  56.569  164.518 3.4892 165.867 3.4553 -1.348221      4.910575  
1 1 1 5   12  22 o 81.582  1.9300 328.917  15.541  307.853  21.523  351.862  22.464  78.870  2.7648 84.325  2.6990 -5.454781      3.863777  
1 1 1 5   12  23 o 105.074 6.4632 557.262  66.706  566.774  94.517  547.823  94.156  104.780 9.2333 102.935 9.3698 1.844795       13.15480  
1 1 1 5   12  24 o 96.645  2.0476 462.106  19.533  458.947  25.121  466.936  31.062  96.234  2.6446 96.967  3.2455 -0.7326431     4.186552  
1 1 1 5   12  25 o 64.837  2.0136 208.104  12.886  207.900  21.559  208.217  16.074  64.535  3.3965 64.799  2.5131 -0.2637253     4.225183  
1 1 1 5   12  26 o 29.497  4.3464 44.530   12.275  49.292   16.919  39.238   17.837  30.691  5.7974 27.151  6.6974 3.540007       8.858025  
1 1 1 5   12  27 o 45.504  3.0664 103.592  13.692  113.462  19.686  94.342   19.057  47.344  4.2582 43.057  4.5532 4.287109       6.234076  
1 1 1 5   13  0  o 76.875  1.0438 291.711  7.9201  297.197  11.301  286.415  11.103  77.587  1.4757 76.167  1.4769 1.420517       2.087791  
1 1 1 5   13  1  o 252.114 3.0569 3141.50  76.070  3166.34  107.586 3116.67  107.572 252.926 4.3095 250.928 4.3433 1.997345       6.118481  
1 1 1 5   13  2  o 94.243  1.2639 438.428  11.757  443.764  16.419  432.813  16.843  94.805  1.7546 93.626  1.8226 1.178688       2.529986  
1 1 1 5   13  3  o 133.819 1.7969 884.142  23.734  907.884  33.734  860.868  33.400  135.577 2.5209 132.018 2.5632 3.559067       3.595075  
1 1 1 5   13  4  o 68.712  1.3102 233.055  8.8863  234.519  12.456  231.536  12.681  68.921  1.8310 68.480  1.8761 0.4404678      2.621536  
1 1 1 5   13  5  o 75.008  6.1673 280.703  45.256  271.453  64.028  289.936  63.974  73.291  9.0426 75.843  8.7034 -2.551567      12.55062  
1 1 1 5   13  6  o 183.001 6.8125 1661.00  123.054 1600.80  173.943 1721.32  174.107 178.900 9.8890 185.616 9.5353 -6.716537      13.73734  
1 1 1 5   13  7  o 260.423 3.5620 3351.57  91.561  3325.49  136.494 3372.91  123.458 259.190 5.3353 261.108 4.7903 -1.917633      7.170289  
1 1 1 5   13  8  o 283.775 3.8372 3980.56  107.480 3983.56  135.418 3975.46  176.682 283.749 4.8351 283.207 6.3205 0.5420227      7.957880  
1 1 1 5   13  9  o 150.507 2.3005 1118.60  34.175  1131.71  42.801  1095.55  56.765  151.361 2.8649 148.867 3.8632 2.494064       4.809572  
1 1 1 5   13  10 o 249.805 3.2582 3083.64  80.337  3163.02  108.595 2987.68  119.398 252.872 4.3509 245.684 4.9237 7.187714       6.570570  
1 1 1 5   13  11 o 103.844 1.7837 532.420  18.283  530.340  25.728  534.541  25.985  103.620 2.5156 104.029 2.5307 -0.4090958     3.568243  
1 1 1 5   13  12 o 141.071 1.9145 982.692  26.658  983.719  37.685  981.664  37.715  141.107 2.7057 140.959 2.7108 0.1477356      3.830037  
1 1 1 5   13  13 o 84.861  1.6196 355.557  13.566  363.846  19.132  347.174  19.238  85.826  2.2584 83.835  2.3249 1.991547       3.241211  
1 1 1 5   13  14 o 163.233 6.6593 1326.23  107.294 1375.23  151.910 1277.45  151.563 165.293 9.3493 159.172 9.6932 6.120743       13.46729  
1 1 1 5   13  15 o 129.679 6.4230 837.369  82.213  845.530  117.264 829.478  115.296 129.386 9.2430 128.168 9.1745 1.218567       13.02319  
1 1 1 5   13  16 o 78.790  1.6078 306.562  12.503  308.445  17.589  304.638  17.777  79.008  2.2555 78.518  2.2938 0.4907761      3.216959  
1 1 1 5   13  17 o 163.946 2.3065 1328.29  37.324  1308.20  52.396  1348.97  53.180  162.591 3.2649 165.105 3.2633 -2.514038      4.616097  
1 1 1 5   13  18 o 276.549 3.5640 3787.33  97.285  3685.43  132.236 3907.57  143.634 272.383 4.9185 280.369 5.1903 -7.985779      7.150642  
1 1 1 5   13  19 o 54.006  6.3220 147.490  33.062  143.018  46.409  152.098  47.112  52.463  9.3028 54.185  9.1337 -1.722225      13.03712  
1 1 1 5   13  20 o 87.770  1.6942 380.516  14.678  358.041  20.167  405.829  21.402  85.100  2.4009 90.602  2.3932 -5.501915      3.390002  
1 1 1 5   13  21 o 86.508  1.7926 369.739  15.306  359.719  20.813  381.541  22.589  85.286  2.4724 87.825  2.6058 -2.538704      3.592076  
1 1 1 5   13  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   13  23 o 93.010  3.3826 429.354  31.054  493.566  85.198  419.516  33.348  97.737  8.9302 91.892  3.6767 5.845451       9.657496  
1 1 1 5   13  24 o 60.687  1.4129 181.988  8.4632  184.737  9.2560  167.971  20.901  61.137  1.5339 57.978  3.6712 3.158230       3.978762  
1 1 1 5   13  25 o 73.119  1.7045 264.477  12.302  239.455  17.037  291.737  17.782  69.483  2.4841 76.714  2.3484 -7.231369      3.418439  
1 1 1 5   13  26 o 60.623  1.8642 181.958  11.155  161.576  22.194  188.847  12.903  56.668  3.9934 61.731  2.1176 -5.063457      4.520151  
1 1 1 5   13  27 o 47.121  3.0750 111.122  14.224  102.529  20.482  119.126  19.767  44.836  4.6979 48.521  4.1679 -3.685341      6.280296  
1 1 1 5   14  0  o 211.447 2.6227 2209.57  54.737  2178.94  77.460  2240.13  77.360  209.826 3.7401 212.760 3.6838 -2.934525      5.249629  
1 1 1 5   14  1  o 226.307 2.7723 2531.29  61.926  2408.09  87.456  2655.18  87.698  220.552 4.0174 231.623 3.8360 -11.07074      5.554654  
1 1 1 5   14  2  o 104.577 1.4269 539.928  14.728  524.150  20.782  555.850  20.876  103.018 2.0438 106.089 1.9936 -3.071419      2.855108  
1 1 1 5   14  3  o 49.114  1.3952 119.087  6.7634  110.959  8.6842  131.617  10.783  47.403  1.8561 51.623  2.1162 -4.219868      2.814802  
1 1 1 5   14  4  o 78.233  6.0702 305.599  46.506  311.088  65.891  300.151  65.648  78.475  8.6504 77.038  8.7909 1.437096       12.33325  
1 1 1 5   14  5  o 76.400  2.5056 288.336  18.895  288.336  18.895  0.0000   0.0000  76.400  2.5056 ?       ?      0.000000       2.505612  
1 1 1 5   14  6  o 35.387  1.9863 62.029   6.9096  53.985   9.5272  70.955   10.036  32.920  2.9638 37.801  2.7077 -4.880844      4.014468  
1 1 1 5   14  7  o 261.412 3.6103 3378.71  93.154  3311.05  139.217 3433.57  125.351 258.478 5.4568 263.337 4.8226 -4.858978      7.282436  
1 1 1 5   14  8  o 76.810  1.6851 291.283  12.776  288.987  21.446  292.546  15.906  76.479  2.8411 76.968  2.0937 -0.4896011     3.529216  
1 1 1 5   14  9  o 273.807 3.6509 3707.12  98.668  3667.60  139.504 3746.68  139.571 272.073 5.1948 275.002 5.1419 -2.928711      7.309259  
1 1 1 5   14  10 o 93.994  1.5459 436.182  14.342  436.468  20.288  435.897  20.277  94.008  2.1865 93.946  2.1867 0.6160736E-01  3.092355  
1 1 1 5   14  11 o 291.236 3.5579 4194.73  102.274 4195.54  144.639 4193.93  144.636 290.957 5.0364 290.902 5.0373 0.5596924E-01  7.123209  
1 1 1 5   14  12 o 93.829  1.5975 434.689  14.794  436.189  20.489  433.055  21.384  93.971  2.2090 93.629  2.3139 0.3421783      3.199092  
1 1 1 5   14  13 o 12.247  5.1808 0.4172   10.799  -7.7007  15.125  8.8582   15.423  12.716  5.7264 16.795  6.5124 -4.078798      8.671966  
1 1 1 5   14  14 o 194.833 7.0135 1893.85  134.875 1934.68  190.905 1853.15  190.579 195.633 9.9189 191.361 10.126 4.272018       14.17459  
1 1 1 5   14  15 o 117.846 1.8682 685.964  21.731  684.179  31.974  687.496  29.624  117.634 2.7538 117.935 2.5449 -0.3006592     3.749641  
1 1 1 5   14  16 o 84.562  1.5459 353.118  12.903  326.314  17.994  381.491  18.513  81.261  2.2435 87.868  2.1346 -6.607544      3.096683  
1 1 1 5   14  17 o 23.990  1.0440 28.412   2.4721  19.007   3.4603  38.217   3.5330  19.532  1.8156 27.821  1.2866 -8.289536      2.225266  
1 1 1 5   14  18 o 83.184  1.5552 341.732  12.769  330.207  17.810  353.920  18.317  81.740  2.2075 84.625  2.1929 -2.884865      3.111521  
1 1 1 5   14  19 o 38.455  2.5104 73.432   9.4762  68.060   12.878  79.775   13.995  36.892  3.5816 39.968  3.5856 -3.075821      5.067997  
1 1 1 5   14  20 o 31.756  3.8960 50.757   11.956  49.526   12.954  57.830   31.055  31.295  4.3079 33.249  9.1668 -1.954847      10.12863  
1 1 1 5   14  21 o 111.382 6.4543 623.653  70.653  603.835  99.554  643.764  100.286 108.495 9.3890 112.158 9.1384 -3.662598      13.10198  
1 1 1 5   14  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   14  23 o 64.197  2.3550 204.005  14.922  208.344  20.676  199.287  21.559  64.790  3.2332 63.247  3.4666 1.543583       4.740335  
1 1 1 5   14  24 f 87.684  2.1828 380.701  18.891  374.818  26.160  387.112  27.309  86.867  3.0511 88.265  3.1346 -1.397415      4.374361  
1 1 1 5   14  25 o 13.457  5.3172 5.2693   10.444  2.8907   14.652  7.7262   14.891  14.647  6.1047 16.046  6.3462 -1.398930      8.805763  
1 1 1 5   14  26 o 57.856  1.9361 165.809  11.056  161.443  12.491  181.608  23.761  57.057  2.2180 60.053  4.0320 -2.996418      4.601768  
1 1 1 5   14  27 o ?       ?      -16.5184 2.6806  -17.3742 2.7224  10.712   15.356  ?       ?      16.991  6.5226 0.000000       6.522579  
1 1 1 5   15  0  o 164.404 2.0834 1335.21  33.808  1328.69  47.794  1341.73  47.829  163.923 2.9539 164.727 2.9416 -0.8037109     4.168809  
1 1 1 5   15  1  o 82.290  1.2207 334.305  9.9153  335.951  13.910  332.605  14.137  82.480  1.7086 82.067  1.7453 0.4129028      2.442441  
1 1 1 5   15  2  o 108.427 1.5701 580.505  16.803  554.014  23.348  608.968  24.201  105.895 2.2338 111.024 2.2084 -5.129219      3.141185  
1 1 1 5   15  3  o 147.210 6.4825 1078.79  94.192  1075.65  133.213 1081.93  133.203 146.056 9.2887 146.493 9.2598 -0.4369965     13.11583  
1 1 1 5   15  4  o 44.837  2.7541 99.736   12.130  95.527   12.665  146.398  42.171  43.860  2.9425 53.507  8.2503 -9.646633      8.759294  
1 1 1 5   15  5  o 49.925  1.5208 123.066  7.4943  114.245  9.9523  134.619  11.390  48.093  2.0965 52.203  2.2104 -4.110073      3.046541  
1 1 1 5   15  6  o 131.337 1.8075 851.809  23.432  827.874  32.897  876.456  33.384  129.439 2.5749 133.184 2.5395 -3.746002      3.616511  
1 1 1 5   15  7  o 94.025  1.5412 436.492  14.303  452.098  21.071  423.156  19.479  95.668  2.2314 92.559  2.1321 3.109238       3.086301  
1 1 1 5   15  8  o 215.826 2.8240 2302.21  60.159  2283.89  88.733  2317.79  81.840  214.779 4.1856 216.423 3.8312 -1.644150      5.674272  
1 1 1 5   15  9  o 205.188 3.5015 2082.56  70.915  2211.24  205.516 2065.17  75.556  209.753 9.9266 204.295 3.7469 5.458191       10.61027  
1 1 1 5   15  10 o 238.006 3.1456 2800.99  73.898  2724.59  104.408 2877.69  104.607 234.500 4.5108 241.022 4.3972 -6.521851      6.299400  
1 1 1 5   15  11 o 83.604  1.5143 345.109  12.496  356.739  17.219  332.170  18.163  84.984  2.0528 81.998  2.2441 2.985619       3.041386  
1 1 1 5   15  12 o 14.625  5.8547 5.1218   12.822  2.5845   19.092  7.2066   17.305  16.641  6.9548 17.044  6.8092 -0.4022770     9.733157  
1 1 1 5   15  13 o 102.960 6.2712 529.920  63.427  536.427  89.805  523.443  89.595  102.929 8.9280 101.639 9.0247 1.290115       12.69463  
1 1 1 5   15  14 o 111.063 1.8074 609.253  19.814  584.778  27.660  635.049  28.396  108.762 2.5765 113.344 2.5382 -4.581444      3.616779  
1 1 1 5   15  15 o 132.882 1.9349 872.308  25.378  857.696  35.673  887.281  36.111  131.697 2.7443 133.950 2.7312 -2.253372      3.871773  
1 1 1 5   15  16 o 159.099 2.5846 1251.58  40.588  1215.65  58.518  1284.89  56.344  156.630 3.7851 161.069 3.5441 -4.438873      5.185316  
1 1 1 5   15  17 o 40.121  2.4847 79.890   9.7911  63.459   13.275  99.492   14.499  35.576  3.8414 44.705  3.3094 -9.129066      5.070338  
1 1 1 5   15  18 o 137.620 2.1276 936.012  28.901  897.781  39.819  978.574  42.014  134.688 2.9952 140.613 3.0272 -5.925629      4.258528  
1 1 1 5   15  19 o 113.353 2.2627 635.193  25.316  607.649  31.208  688.203  43.293  110.812 2.8532 117.817 3.7229 -7.004990      4.690493  
1 1 1 5   15  20 o 70.600  6.4365 251.645  44.360  266.270  63.703  237.877  61.808  71.832  9.1958 67.734  9.5067 4.098183       13.22651  
1 1 1 5   15  21 o 89.181  6.2998 400.730  55.097  392.826  77.654  408.744  78.188  87.316  9.1459 89.137  9.0106 -1.821190      12.83895  
1 1 1 5   15  22 o 132.542 2.6390 869.898  34.524  854.817  42.384  899.634  59.516  131.270 3.2712 134.363 4.4877 -3.092804      5.553363  
1 1 1 5   15  23 f 156.171 2.4100 1207.90  37.149  1170.49  52.551  1245.26  52.522  153.445 3.4697 158.306 3.3614 -4.860733      4.830931  
1 1 1 5   15  24 o 52.052  1.9138 134.095  9.8324  151.299  20.151  128.719  11.264  54.950  3.7375 50.972  2.2389 3.978271       4.356818  
1 1 1 5   15  25 o 64.528  1.5689 205.976  9.9926  189.903  14.206  221.718  14.059  61.873  2.3261 66.883  2.1296 -5.009987      3.153737  
1 1 1 5   15  26 o 55.411  1.9639 152.147  10.741  149.242  12.158  162.475  22.924  54.845  2.2460 56.726  4.1224 -1.881794      4.694481  
1 1 1 5   15  27 o 45.275  7.3397 109.935  31.677  93.512   44.400  126.960  45.207  39.986  10.935 47.252  10.004 -7.266098      14.82101  
1 1 1 5   16  0  o 133.961 1.8207 886.360  24.074  846.795  33.961  926.323  34.132  130.880 2.6289 136.896 2.5260 -6.016754      3.645803  
1 1 1 5   16  1  o 62.881  1.3740 195.225  8.5278  201.282  12.793  190.381  11.440  63.831  2.0305 62.084  1.8669 1.747688       2.758320  
1 1 1 5   16  2  o 126.933 6.3886 804.845  79.786  787.960  112.937 821.668  112.731 124.776 9.2356 127.504 9.0156 -2.728020      12.90652  
1 1 1 5   16  3  o 110.270 6.2556 607.525  67.806  606.576  95.949  608.473  95.834  109.488 8.9570 109.667 8.9310 -0.1793671     12.64875  
1 1 1 5   16  4  o 173.228 2.2261 1482.67  38.063  1472.99  53.935  1492.27  53.723  172.560 3.1666 173.690 3.1337 -1.129791      4.455053  
1 1 1 5   16  5  o 67.218  1.4013 223.085  9.2974  221.622  13.262  224.499  13.038  66.981  2.0060 67.416  1.9593 -0.4348297     2.804095  
1 1 1 5   16  6  o 54.356  1.6659 145.906  8.9380  142.212  12.428  149.863  12.864  53.647  2.3470 55.070  2.3666 -1.423611      3.333066  
1 1 1 5   16  7  o 79.830  1.5483 314.678  12.200  310.264  16.894  319.489  17.636  79.247  2.1598 80.414  2.2219 -1.167068      3.098660  
1 1 1 5   16  8  o 160.142 2.4214 1267.33  38.274  1236.38  47.800  1322.63  63.889  158.111 3.0629 163.417 3.9609 -5.305679      5.007012  
1 1 1 5   16  9  o 248.551 3.0839 3055.52  75.656  3003.50  106.907 3107.70  107.081 246.149 4.4002 250.399 4.3326 -4.250107      6.175227  
1 1 1 5   16  10 o 199.910 3.5356 1978.12  69.764  2436.61  202.968 1916.70  74.290  219.938 9.3496 196.732 3.8258 23.20529       10.10210  
1 1 1 5   16  11 o 142.265 6.4994 1009.21  91.266  1040.02  128.163 977.518  129.995 143.446 9.0991 138.889 9.5404 4.556915       13.18380  
1 1 1 5   16  12 o 267.123 7.9275 3578.37  209.016 3540.55  295.577 3616.19  295.609 263.507 11.364 266.398 11.242 -2.891510      15.98550  
1 1 1 5   16  13 o 106.617 1.8222 561.493  19.176  536.973  26.938  586.679  27.302  104.213 2.6189 108.936 2.5392 -4.722679      3.647711  
1 1 1 5   16  14 o 121.178 1.8596 725.395  22.242  714.373  31.232  736.738  31.683  120.195 2.6326 122.062 2.6297 -1.867256      3.721021  
1 1 1 5   16  15 o 102.235 1.8114 516.324  18.279  517.955  25.561  514.617  26.150  102.350 2.5302 102.014 2.5971 0.3354797      3.625858  
1 1 1 5   16  16 o 51.375  1.1540 130.313  5.8517  131.347  7.4977  128.701  9.3600  51.572  1.4729 51.040  1.8579 0.5321274      2.370961  
1 1 1 5   16  17 o 37.030  1.7852 67.740   6.5247  77.336   13.463  64.795   7.4592  39.354  3.5026 36.148  2.0997 3.206478       4.083731  
1 1 1 5   16  18 o 41.300  2.4356 84.641   9.8846  87.062   13.552  81.890   14.449  41.794  3.3124 40.480  3.6556 1.313911       4.933130  
1 1 1 5   16  19 o 106.250 6.3290 567.188  66.074  542.111  93.185  592.544  93.701  102.825 9.2815 107.696 8.8945 -4.870384      12.85528  
1 1 1 5   16  20 o 83.960  6.3234 355.365  52.018  365.868  73.448  344.796  73.682  84.327  8.9616 81.709  9.3018 2.617538       12.91646  
1 1 1 5   16  21 o 113.723 2.0970 639.541  23.538  651.840  33.616  627.711  32.969  114.695 2.9694 112.553 2.9676 2.142563       4.198132  
1 1 1 5   16  22 o 37.812  1.2741 70.625   4.7551  74.658   6.7403  66.629   6.7093  38.861  1.7572 36.662  1.8602 2.199772       2.558936  
1 1 1 5   16  23 o 38.006  1.2192 71.358   4.5737  72.374   6.4148  70.308   6.5229  38.257  1.6988 37.704  1.7527 0.5524025      2.440894  
1 1 1 5   16  24 o 9.7681  2.6442 4.8943   2.6118  4.9011   2.6455  4.6311   16.409  9.7791  2.6671 15.808  6.5130 -6.029294      7.037962  
1 1 1 5   16  25 o 11.249  4.9238 -2.0028  10.414  -3.7213  14.379  -0.1065  15.104  12.949  5.7223 14.080  6.0466 -1.131283      8.325030  
1 1 1 5   16  26 o 29.195  8.0824 46.689   24.084  38.890   32.835  55.771   35.434  27.559  9.7102 31.676  10.074 -4.117376      13.99174  
1 1 1 5   16  27 o 43.541  4.9157 97.656   20.756  119.906  45.195  91.709   23.366  45.479  10.306 41.835  5.8160 3.644199       11.83425  
1 1 1 5   17  0  o 115.246 2.7795 656.862  31.618  655.567  100.772 657.003  33.299  113.643 9.0592 115.245 2.9274 -1.601418      9.520382  
1 1 1 5   17  1  o 141.276 6.4750 996.040  90.290  1019.88  127.893 972.351  127.488 141.890 9.1811 138.450 9.3846 3.439514       13.12872  
1 1 1 5   17  2  o 163.011 4.3961 1318.07  70.732  1318.07  70.732  0.0000   0.0000  163.011 4.3961 ?       ?      0.000000       4.396103  
1 1 1 5   17  3  o 106.612 1.5492 561.286  16.302  554.984  23.074  567.566  23.034  105.977 2.2058 107.174 2.1775 -1.196289      3.099544  
1 1 1 5   17  4  o 76.593  1.3869 289.667  10.485  302.148  15.359  278.775  14.348  78.205  1.9897 75.121  1.9351 3.083580       2.775523  
1 1 1 5   17  5  o 127.951 1.8525 808.684  23.396  829.214  31.771  784.363  34.581  129.519 2.4852 125.942 2.7818 3.577003       3.730259  
1 1 1 5   17  6  o 68.598  1.5425 232.377  10.444  217.419  14.549  248.282  15.002  66.331  2.2222 70.886  2.1442 -4.554832      3.087983  
1 1 1 5   17  7  o 93.288  1.5404 429.759  14.184  418.331  19.842  441.700  20.283  92.010  2.1848 94.546  2.1735 -2.535744      3.081844  
1 1 1 5   17  8  o 108.279 1.6318 579.021  17.440  516.361  23.946  649.797  25.449  102.212 2.3735 114.669 2.2485 -12.45728      3.269480  
1 1 1 5   17  9  o 34.577  1.1562 59.024   3.9460  48.680   5.5295  69.759   5.6330  31.342  1.7949 37.585  1.5184 -6.243032      2.351003  
1 1 1 5   17  10 o 84.662  6.2323 359.372  51.714  346.729  72.797  372.252  73.476  82.423  9.0999 85.514  8.8324 -3.091408      12.68147  
1 1 1 5   17  11 o 152.678 3.7164 1154.89  56.006  1360.15  144.706 1118.72  60.739  163.936 8.9770 150.206 4.0969 13.73018       9.867698  
1 1 1 5   17  12 o 118.786 1.8705 697.069  21.931  706.578  32.255  688.893  29.908  119.525 2.7341 118.035 2.5671 1.490219       3.750376  
1 1 1 5   17  13 o 18.101  1.0134 16.226   1.8032  19.705   2.5402  12.691   2.5602  19.935  1.2981 15.944  1.6507 3.990357       2.099984  
1 1 1 5   17  14 o 142.355 2.1687 1001.57  30.473  1030.31  42.975  972.516  43.217  144.284 3.0176 140.165 3.1238 4.119110       4.343248  
1 1 1 5   17  15 o 56.114  1.9580 155.588  10.845  149.290  14.923  162.637  15.786  54.863  2.7647 57.334  2.7896 -2.470829      3.927516  
1 1 1 5   17  16 o 63.373  1.4505 198.344  9.0729  193.771  12.718  203.084  12.947  62.616  2.0578 64.103  2.0463 -1.487545      2.902000  
1 1 1 5   17  17 o 77.384  1.7813 295.862  13.606  301.912  19.038  289.546  19.453  78.131  2.4687 76.506  2.5760 1.624168       3.567912  
1 1 1 5   17  18 o 102.630 6.3378 529.571  63.887  518.348  90.748  540.600  89.959  100.498 9.2523 102.770 8.9579 -2.271484      12.87823  
1 1 1 5   17  19 o 205.230 7.2148 2122.75  146.149 2072.36  206.681 2173.16  206.691 200.238 10.494 205.542 10.188 -5.304504      14.62586  
1 1 1 5   17  20 o 85.071  1.6314 357.591  13.699  350.746  19.380  364.426  19.366  84.200  2.3319 85.830  2.2860 -1.630463      3.265501  
1 1 1 5   17  21 o 175.025 2.6185 1517.27  45.236  1522.70  64.127  1511.89  63.821  175.022 3.7121 174.401 3.7075 0.6209106      5.246426  
1 1 1 5   17  22 o 108.869 2.8660 588.012  30.798  804.273  103.368 566.945  32.263  124.599 8.4551 106.863 3.0587 17.73660       8.991319  
1 1 1 5   17  23 o 127.637 2.2080 807.109  27.816  808.210  39.886  806.067  38.813  127.464 3.1703 127.320 3.0885 0.1434631      4.426000  
1 1 1 5   17  24 o 72.375  2.3017 259.865  16.442  264.063  24.549  256.448  22.143  72.729  3.4197 71.740  3.1271 0.9892273      4.633879  
1 1 1 5   17  25 o 43.105  7.5481 99.973   30.944  89.886   42.593  111.249  45.031  39.446  10.678 44.007  10.511 -4.561253      14.98388  
1 1 1 5   17  26 o 66.178  6.7682 230.548  43.588  211.189  60.617  251.275  62.722  60.808  10.478 66.986  9.7742 -6.178249      14.32899  
1 1 1 5   17  27 o 45.213  7.6283 111.713  32.831  93.357   45.035  132.533  47.964  39.316  11.112 47.421  10.522 -8.105473      15.30359  
1 1 1 5   18  0  o 158.158 6.6725 1252.31  104.163 1284.92  147.456 1219.82  147.163 158.818 9.4492 154.604 9.6927 4.214035       13.53649  
1 1 1 5   18  1  o 154.331 6.6390 1191.39  101.132 1249.91  143.295 1133.30  142.750 156.819 9.2991 149.083 9.7548 7.736679       13.47698  
1 1 1 5   18  2  o 30.728  2.1707 46.895   6.5411  45.114   9.5459  48.472   8.9810  30.010  3.2759 31.160  2.9554 -1.150118      4.412019  
1 1 1 5   18  3  o 114.478 1.6455 647.276  18.593  649.208  26.557  645.418  26.039  114.602 2.3478 114.270 2.3087 0.3319321      3.292719  
1 1 1 5   18  4  o 152.358 2.1483 1147.13  32.306  1173.34  45.877  1121.34  45.501  153.989 3.0183 150.532 3.0624 3.457275       4.299852  
1 1 1 5   18  5  o 116.963 1.6977 675.716  19.599  673.503  27.979  677.848  27.462  116.721 2.4286 117.101 2.3759 -0.3801727     3.397536  
1 1 1 5   18  6  f 188.565 2.4414 1757.83  45.439  1800.41  64.430  1715.69  64.093  190.676 3.4234 186.123 3.4888 4.552597       4.887917  
1 1 1 5   18  7  o 107.569 1.7029 571.541  18.081  570.692  25.878  572.349  25.273  107.441 2.4402 107.602 2.3796 -0.1604385     3.408356  
1 1 1 5   18  8  o 23.785  1.7543 28.098   4.0894  30.620   16.143  27.925   4.2273  24.346  6.5668 23.706  1.8206 0.6400261      6.814518  
1 1 1 5   18  9  o 239.096 7.5671 2869.73  178.582 2824.97  252.459 2914.56  252.646 235.117 10.879 238.940 10.712 -3.823349      15.26767  
1 1 1 5   18  10 o 205.305 2.9522 2085.73  59.824  2026.89  88.614  2135.01  81.092  202.049 4.4434 207.496 3.9595 -5.447128      5.951545  
1 1 1 5   18  11 o 139.519 2.2263 962.155  30.659  963.619  38.489  959.613  50.712  139.564 2.7940 139.147 3.6924 0.4168091      4.630352  
1 1 1 5   18  12 o 52.581  6.5538 140.370  33.275  132.739  46.727  148.221  47.397  50.303  9.7632 53.342  9.3426 -3.039398      13.51311  
1 1 1 5   18  13 o 31.840  1.1072 50.051   3.4795  56.563   4.9107  43.485   4.9309  33.842  1.4701 29.621  1.6935 4.220842       2.242600  
1 1 1 5   18  14 o 140.290 2.3678 973.175  32.788  959.535  46.366  986.819  46.372  139.165 3.3755 141.138 3.3287 -1.972260      4.740688  
1 1 1 5   18  15 o 100.334 1.7991 497.390  17.817  484.196  25.216  510.546  25.179  98.934  2.5822 101.597 2.5108 -2.662903      3.601693  
1 1 1 5   18  16 o 78.701  1.6760 305.998  13.020  291.625  18.277  320.806  18.551  76.787  2.4115 80.543  2.3335 -3.755768      3.355643  
1 1 1 5   18  17 o 142.341 6.5739 1016.93  92.361  1040.32  130.899 993.746  130.339 142.476 9.3602 139.133 9.5487 3.343201       13.37129  
1 1 1 5   18  18 o 76.155  7.4694 295.563  55.423  291.848  67.530  303.229  97.007  75.024  9.3202 74.559  13.686 0.4653091      16.55822  
1 1 1 5   18  19 o 138.734 2.4034 952.421  32.911  959.449  46.894  945.600  46.201  139.056 3.4166 138.054 3.3905 1.001572       4.813400  
1 1 1 5   18  20 o 63.872  2.3381 201.912  14.740  206.732  21.421  197.576  20.315  64.443  3.3795 63.012  3.2776 1.430946       4.707845  
1 1 1 5   18  21 o 130.197 2.3379 839.394  30.045  838.619  43.364  840.110  41.666  129.898 3.3822 130.049 3.2459 -0.1513977     4.687747  
1 1 1 5   18  22 o 49.084  2.8304 120.009  13.655  125.895  20.533  115.343  18.283  50.007  4.1989 47.917  3.8995 2.089649       5.730372  
1 1 1 5   18  23 o 145.033 6.8122 1082.95  97.518  1054.02  136.508 1113.10  139.359 139.558 9.9757 143.527 9.8977 -3.968719      14.05267  
1 1 1 5   18  24 o 63.701  2.4535 201.617  15.427  192.033  17.261  239.660  34.389  62.102  2.8159 68.507  5.1228 -6.404900      5.845705  
1 1 1 5   18  25 o 67.459  9.8652 255.391  63.746  265.197  89.496  245.292  90.820  64.560  14.410 61.236  15.117 3.323498       20.88450  
1 1 1 5   18  26 o 64.775  1.6833 207.895  10.762  198.428  15.072  217.743  15.372  63.151  2.4180 66.167  2.3537 -3.016399      3.374440  
1 1 1 5   19  0  o 58.561  6.4497 174.112  36.662  179.137  51.874  169.098  51.822  58.574  9.2819 56.774  9.5891 1.800236       13.34559  
1 1 1 5   19  1  o 52.304  1.5653 135.138  8.0812  136.495  11.908  133.979  11.002  52.539  2.2964 52.059  2.1412 0.4798317      3.139746  
1 1 1 5   19  2  o 96.158  6.2935 464.554  59.403  444.652  84.052  484.415  83.966  93.109  9.2690 97.383  8.8315 -4.274162      12.80274  
1 1 1 5   19  3  o 188.094 2.4081 1749.46  44.707  1774.95  63.317  1724.10  63.134  189.279 3.3891 186.539 3.4290 2.739548       4.821167  
1 1 1 5   19  4  f 185.371 2.4038 1699.08  43.981  1661.71  62.125  1736.63  62.273  183.140 3.4368 187.237 3.3696 -4.097107      4.813055  
1 1 1 5   19  5  o 57.246  1.5339 161.855  8.6669  166.541  12.268  157.186  12.246  58.048  2.1412 56.392  2.2001 1.656116       3.070020  
1 1 1 5   19  6  o 98.205  1.7506 476.436  16.969  499.715  23.863  452.623  24.135  100.531 2.4049 95.666  2.5560 4.865715       3.509464  
1 1 1 5   19  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   19  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   19  9  o 126.295 2.0521 788.287  25.580  817.337  35.693  757.610  36.680  128.521 2.8137 123.714 3.0038 4.807716       4.115783  
1 1 1 5   19  10 o 94.692  1.7683 442.992  16.527  421.534  23.380  464.423  23.366  92.316  2.5659 96.909  2.4428 -4.592819      3.542729  
1 1 1 5   19  11 o 73.591  1.7490 267.558  12.704  274.958  17.970  260.163  17.964  74.564  2.4416 72.526  2.5094 2.038109       3.501218  
1 1 1 5   19  12 o 78.525  1.7589 304.651  13.633  285.361  19.120  324.601  19.444  75.952  2.5504 81.015  2.4315 -5.062523      3.523790  
1 1 1 5   19  13 o 133.883 3.8747 889.508  51.203  835.230  56.271  1150.80  123.461 129.631 4.3978 150.573 8.3396 -20.94176      9.428143  
1 1 1 5   19  14 o 94.063  1.8076 437.207  16.782  435.587  23.507  438.891  23.968  93.832  2.5381 94.184  2.5782 -0.3514938     3.617899  
1 1 1 5   19  15 o 21.440  4.2364 23.637   8.6473  22.712   12.004  24.635   12.468  20.969  5.6655 21.806  5.7212 -0.8367577     8.051682  
1 1 1 5   19  16 o 53.129  6.8446 144.238  35.059  150.006  50.122  138.714  49.056  53.286  9.8940 51.136  10.078 2.149746       14.12276  
1 1 1 5   19  17 o 95.805  6.4057 463.264  60.225  483.415  85.545  443.462  84.803  96.829  9.0558 92.550  9.4144 4.279091       13.06286  
1 1 1 5   19  18 o 103.328 2.0582 527.999  20.991  523.500  29.956  532.339  29.423  102.775 2.9530 103.650 2.8760 -0.8753128     4.122087  
1 1 1 5   19  19 o 149.022 2.3153 1099.17  34.055  1094.10  48.622  1104.04  47.714  148.452 3.3183 149.145 3.2412 -0.6931610     4.638580  
1 1 1 5   19  20 o 34.773  4.5096 61.400   15.113  59.697   23.938  62.528   19.489  33.591  7.4180 34.771  5.8888 -1.180279      9.471231  
1 1 1 5   19  21 o 39.374  0.9864 76.567   3.8336  79.677   5.4823  73.591   5.3629  40.152  1.3833 38.587  1.4081 1.564869       1.973889  
1 1 1 5   19  22 o 20.769  5.6407 22.624   11.862  13.140   18.430  29.331   15.499  18.707  7.1541 23.557  6.4685 -4.849735      9.644832  
1 1 1 5   19  23 o 48.264  4.2050 118.032  19.832  106.345  27.706  130.311  28.401  45.023  6.4161 50.150  5.8473 -5.126736      8.680799  
1 1 1 5   19  24 o 110.655 6.6518 640.351  72.313  621.359  101.615 659.839  102.931 105.533 9.8698 109.021 9.6657 -3.487823      13.81440  
1 1 1 5   19  25 o 12.321  1.7037 7.6636   2.0165  -10.4715 23.202  7.8016   2.0242  15.435  7.0077 12.435  1.6932 2.999833       7.209335  
1 1 1 5   19  26 o 42.814  1.3305 90.717   5.6224  97.931   8.0618  83.885   7.8453  44.428  1.8384 41.107  1.9336 3.320744       2.668046  
1 1 1 5   20  0  o 87.032  1.5004 374.295  12.889  393.189  18.482  356.405  17.984  89.147  2.1004 84.870  2.1468 4.277084       3.003428  
1 1 1 5   20  1  o 76.107  1.5142 286.185  11.375  281.708  15.785  291.020  16.405  75.468  2.1191 76.701  2.1670 -1.233231      3.030878  
1 1 1 5   20  2  o 17.203  4.0870 15.302   6.8369  11.240   9.9306  18.962   9.4268  15.643  5.3495 19.141  4.9520 -3.498446      7.289621  
1 1 1 5   20  3  o 70.843  6.3234 253.670  43.751  251.816  61.980  255.512  61.768  69.669  9.2411 70.228  9.1265 -0.5590439     12.98811  
1 1 1 5   20  4  o 114.994 1.7770 653.424  20.170  665.627  28.412  641.026  28.638  115.995 2.4816 113.823 2.5491 2.171303       3.557541  
1 1 1 5   20  5  o 85.970  1.6484 365.134  13.987  359.283  19.493  371.343  20.082  85.236  2.3170 86.652  2.3480 -1.416382      3.298749  
1 1 1 5   20  6  o 60.761  6.4929 187.086  38.337  188.096  54.265  186.080  54.169  60.077  9.4644 59.734  9.5061 0.3426743      13.41416  
1 1 1 5   20  7  o 31.350  7.5442 51.472   23.062  65.540   32.493  37.194   32.737  35.242  9.2312 28.131  9.7087 7.110550       13.39674  
1 1 1 5   20  8  o 34.144  1.2081 57.566   4.0714  59.167   5.7914  56.002   5.7248  34.606  1.6955 33.623  1.7309 0.9835930      2.422952  
1 1 1 5   20  9  o 81.322  1.6011 326.695  12.852  324.224  17.987  329.271  18.369  80.976  2.2504 81.601  2.2807 -0.6257401     3.204059  
1 1 1 5   20  10 o 47.288  2.2382 110.573  10.447  124.572  15.860  99.842   13.885  50.038  3.2284 44.782  3.1616 5.255726       4.518684  
1 1 1 5   20  11 o 81.960  1.6453 331.868  13.310  340.437  18.177  321.961  19.544  82.975  2.2194 80.674  2.4544 2.300430       3.309049  
1 1 1 5   20  12 o 156.837 2.4549 1216.91  38.003  1238.40  56.311  1198.94  51.499  157.992 3.6110 155.511 3.3551 2.481644       4.929075  
1 1 1 5   20  13 o 104.587 1.7605 540.533  18.174  535.481  25.664  545.615  25.739  104.029 2.4995 105.010 2.4833 -0.9815750     3.523380  
1 1 1 5   20  14 o 24.950  1.5998 30.882   3.9189  30.619   3.9536  45.673   29.635  24.841  1.6214 29.811  9.1740 -4.969559      9.316172  
1 1 1 5   20  15 o 16.312  6.6137 5.7819   16.590  1.9884   23.526  9.5347   23.399  18.086  7.6486 19.592  7.8858 -1.506016      10.98575  
1 1 1 5   20  16 o 58.006  3.1653 167.356  18.054  172.146  29.002  164.325  23.069  58.483  5.0744 57.325  4.1043 1.157772       6.526478  
1 1 1 5   20  17 o 58.340  2.7638 168.646  15.915  188.058  25.260  155.868  20.495  61.306  4.1997 55.872  3.7379 5.434593       5.622248  
1 1 1 5   20  18 o 51.261  1.4897 129.846  7.5373  119.653  10.966  138.974  10.377  49.166  2.2597 53.005  1.9834 -3.839123      3.006692  
1 1 1 5   20  19 f 85.259  2.3639 360.061  19.893  386.123  30.719  341.238  26.106  88.092  3.5329 82.876  3.1914 5.216217       4.760960  
1 1 1 5   20  20 o 74.207  1.8724 272.497  13.714  293.237  19.580  252.523  19.215  76.886  2.5801 71.327  2.7293 5.558563       3.755795  
1 1 1 5   20  21 o 23.322  5.5922 28.675   12.707  25.318   19.304  31.242   16.879  22.487  7.4571 24.286  6.7815 -1.799263      10.07956  
1 1 1 5   20  22 o 27.822  1.3401 38.276   3.6800  29.259   5.3020  46.658   5.1118  24.179  2.2473 30.653  1.6962 -6.473478      2.815554  
1 1 1 5   20  23 o 99.021  6.6690 513.597  64.801  510.527  90.626  516.808  92.695  95.707  9.7287 96.089  9.9161 -0.3819580     13.89160  
1 1 1 5   20  24 o 20.797  5.8851 23.048   12.624  21.852   18.270  24.140   17.463  20.952  7.2517 21.578  7.0897 -0.6255913     10.14154  
1 1 1 5   20  25 o 59.629  1.1632 175.849  6.8459  189.636  9.6739  162.018  9.6891  61.866  1.5842 57.164  1.7172 4.701893       2.336360  
1 1 1 5   20  26 o 18.528  7.2668 13.126   19.373  6.0824   25.689  22.414   29.499  18.763  7.9668 22.800  8.9591 -4.036858      11.98894  
1 1 1 5   21  0  o 32.790  2.1590 53.485   6.9485  52.630   9.7077  54.383   9.9500  32.395  3.0728 32.930  3.0976 -0.5354004     4.363216  
1 1 1 5   21  1  o 59.931  1.5957 177.567  9.4390  188.165  14.065  168.884  12.732  61.633  2.3121 58.400  2.2087 3.233616       3.197509  
1 1 1 5   21  2  o 46.299  1.9237 106.031  8.7910  100.657  12.571  111.173  12.298  44.961  2.8475 47.287  2.6454 -2.326771      3.886734  
1 1 1 5   21  3  o 149.202 2.3758 1102.09  34.988  1119.81  43.138  1068.02  59.815  150.280 2.9082 146.413 4.1390 3.866943       5.058548  
1 1 1 5   21  4  o 24.008  7.4392 29.240   19.449  18.718   27.502  39.766   27.508  22.734  8.7284 27.963  8.8741 -5.228838      12.44727  
1 1 1 5   21  5  o 22.392  7.3844 24.392   18.939  26.572   27.007  22.282   26.566  24.492  8.7873 23.359  8.6628 1.132450       12.33941  
1 1 1 5   21  6  o 43.749  8.2462 100.326  34.302  96.707   42.000  107.576  59.445  42.464  10.157 44.416  12.836 -1.951649      16.36878  
1 1 1 5   21  7  f 60.943  1.7925 183.562  10.783  180.271  15.072  187.013  15.432  60.351  2.5302 61.468  2.5435 -1.117310      3.587701  
1 1 1 5   21  8  o 104.071 1.7245 535.233  17.714  531.082  24.944  539.457  25.161  103.598 2.4394 104.412 2.4414 -0.8134689     3.451261  
1 1 1 5   21  9  o 44.054  2.2348 96.242   9.6859  110.072  13.792  82.784   13.605  47.039  2.9861 40.709  3.4176 6.330414       4.538402  
1 1 1 5   21  10 o 23.310  4.1306 27.812   9.1557  28.444   13.703  27.303   12.306  23.376  5.9298 22.912  5.5092 0.4631882      8.094020  
1 1 1 5   21  11 o 95.872  1.8432 454.325  17.442  470.587  26.164  441.315  23.401  97.482  2.7192 94.426  2.5108 3.056847       3.701062  
1 1 1 5   21  12 o 101.632 1.8577 510.593  18.636  507.637  26.146  513.646  26.569  101.256 2.6161 101.850 2.6429 -0.5942001     3.718715  
1 1 1 5   21  13 o 76.858  1.8986 292.044  14.403  291.100  20.552  292.956  20.190  76.662  2.7161 76.912  2.6596 -0.2497330     3.801350  
1 1 1 5   21  14 o 60.940  6.5714 189.367  38.902  179.693  54.487  199.426  55.559  58.224  9.8312 61.556  9.4459 -3.332661      13.63372  
1 1 1 5   21  15 o 103.234 2.7407 528.118  27.926  523.536  29.293  573.807  92.509  102.762 2.8880 105.194 8.9961 -2.431320      9.448343  
1 1 1 5   21  16 o 21.266  0.8060 22.328   1.6918  19.004   2.5308  25.014   2.2748  19.569  1.3179 22.507  1.0240 -2.937525      1.668986  
1 1 1 5   21  17 o 69.028  1.6644 235.575  11.340  253.300  16.174  218.435  15.905  71.521  2.2911 66.403  2.4266 5.117889       3.337340  
1 1 1 5   21  18 o 31.415  1.3022 48.764   4.0378  45.608   5.8609  51.616   5.5706  30.293  1.9709 32.256  1.7563 -1.963041      2.639845  
1 1 1 5   21  19 o 28.628  0.9006 40.475   2.5447  41.181   3.6998  39.841   3.5057  28.867  1.2985 28.394  1.2508 0.4720860      1.802984  
1 1 1 5   21  20 f 79.722  2.3846 315.379  18.764  332.984  29.171  302.956  24.506  81.626  3.6207 77.969  3.1843 3.657082       4.821768  
1 1 1 5   21  21 o 90.979  6.7267 431.499  59.977  414.214  84.327  449.193  85.323  86.368  10.082 90.308  9.7255 -3.939407      14.00801  
1 1 1 5   21  22 o 40.354  8.0619 89.714   30.988  85.657   41.544  94.803   46.525  38.186  10.631 39.828  11.307 -1.641727      15.51999  
1 1 1 5   21  23 o 51.537  1.3064 131.414  6.6452  140.735  11.153  126.282  8.2745  53.222  2.1230 50.481  1.6607 2.741234       2.695355  
1 1 1 5   21  24 f 23.679  7.7851 30.002   21.056  32.300   25.235  24.734   38.203  24.697  8.5240 24.917  10.060 -0.2207489     13.18529  
1 1 1 5   21  25 o 63.249  2.6795 199.991  16.728  358.609  66.259  189.192  17.288  79.874  8.5366 61.467  2.8496 18.40702       8.999678  
1 1 1 5   22  0  o 21.372  3.1606 23.236   6.4661  19.740   9.5661  26.178   8.7741  19.404  4.9722 22.514  4.0994 -3.110472      6.444179  
1 1 1 5   22  1  f 43.761  1.7758 94.785   7.6703  93.093   10.890  96.451   10.805  43.226  2.5640 44.011  2.4976 -0.7859459     3.579370  
1 1 1 5   22  2  o 46.087  1.8399 105.127  8.3696  111.290  12.783  100.502  11.073  47.255  2.7525 44.937  2.5065 2.318035       3.722739  
1 1 1 5   22  3  f 68.434  2.0875 231.906  14.101  229.444  16.422  238.816  27.510  68.027  2.4457 69.009  4.0566 -0.9823380     4.736860  
1 1 1 5   22  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   22  5  o 99.668  6.4085 505.324  62.709  524.499  88.757  486.212  88.612  100.077 9.0844 96.095  9.4652 3.981567       13.11932  
1 1 1 5   22  6  o 42.215  2.1660 88.435   8.9949  88.210   13.298  88.625   12.213  42.021  3.2309 42.162  2.9534 -0.1411438     4.377330  
1 1 1 5   22  7  o 101.271 1.7461 507.048  17.454  492.633  24.704  521.416  24.663  99.726  2.5097 102.609 2.4352 -2.883102      3.496975  
1 1 1 5   22  8  f 93.401  1.7428 431.282  16.067  417.374  22.589  445.520  22.856  91.800  2.4930 94.852  2.4413 -3.051598      3.489325  
1 1 1 5   22  9  o 98.705  1.8076 481.703  17.610  491.383  24.932  472.065  24.877  99.603  2.5360 97.619  2.5819 1.983940       3.619023  
1 1 1 5   22  10 o 33.358  1.4936 54.987   4.9179  53.416   5.3032  64.635   13.142  32.874  1.6344 35.853  3.7700 -2.978420      4.109046  
1 1 1 5   22  11 o 88.305  1.8226 385.566  15.886  381.140  22.477  389.983  22.455  87.711  2.5963 88.727  2.5640 -1.015900      3.648955  
1 1 1 5   22  12 f 74.286  6.5373 281.159  47.445  275.272  66.909  287.114  67.288  72.214  9.6268 73.858  9.4465 -1.644142      13.48744  
1 1 1 5   22  13 o 80.714  6.4757 331.692  51.156  350.275  72.811  313.577  71.888  81.734  9.1843 77.046  9.6658 4.687561       13.33340  
1 1 1 5   22  14 o 92.671  1.8567 424.770  16.983  458.805  24.281  392.170  23.763  96.217  2.5568 88.933  2.7072 7.283607       3.723666  
1 1 1 5   22  15 o 62.321  2.5852 192.557  15.902  198.228  25.248  188.828  20.474  62.888  4.0898 61.523  3.3846 1.364700       5.308618  
1 1 1 5   22  16 o 101.910 2.7048 515.360  27.208  523.020  33.811  501.288  45.828  102.518 3.3414 99.980  4.6439 2.537636       5.721108  
1 1 1 5   22  17 o 111.816 2.2355 619.601  24.673  648.558  35.758  593.286  34.087  114.161 3.1734 109.191 3.1628 4.969818       4.480359  
1 1 1 5   22  18 o 18.454  6.1682 16.587   13.200  18.882   20.575  14.982   17.208  20.817  7.6407 18.877  6.9777 1.940079       10.34741  
1 1 1 5   22  19 o 76.249  2.3851 288.665  17.951  313.946  28.044  271.117  23.364  79.219  3.5865 73.716  3.2111 5.502960       4.814004  
1 1 1 5   22  20 o 42.183  7.8895 96.919   31.641  88.827   44.107  105.499  45.416  38.928  10.995 42.514  10.801 -3.585899      15.41292  
1 1 1 5   22  21 o 56.001  8.6850 173.843  46.452  166.017  57.767  188.163  78.143  52.660  11.441 53.272  14.481 -0.6113052     18.45545  
1 1 1 5   22  22 o 31.855  0.9757 50.154   3.0677  52.107   4.4286  48.352   4.2534  32.445  1.3829 31.254  1.3788 1.190752       1.952804  
1 1 1 5   22  23 o 15.110  5.7274 9.0749   11.747  6.6951   17.581  10.994   15.789  16.450  6.7551 17.004  6.5903 -0.5544224     9.437364  
1 1 1 5   22  24 o 35.307  1.6363 61.826   5.7023  55.055   24.810  62.204   5.8591  31.019  8.0378 35.410  1.6764 -4.390856      8.210766  
1 1 1 5   23  0  o 63.758  1.6792 201.271  10.567  213.721  15.760  191.101  14.244  65.584  2.4346 62.034  2.3263 3.549511       3.367275  
1 1 1 5   23  1  o 13.213  4.4072 8.3513   6.7390  8.5717   9.3773  8.1160   9.6912  14.213  5.1671 14.144  5.2348 0.6871986E-01  7.355433  
1 1 1 5   23  2  f 59.547  1.6634 175.516  9.7767  167.777  13.669  183.621  13.989  58.129  2.3824 60.819  2.3303 -2.690727      3.332624  
1 1 1 5   23  3  o 112.003 6.5706 648.823  72.321  650.453  102.288 647.193  102.267 109.409 9.5682 109.107 9.5937 0.3019943      13.54954  
1 1 1 5   23  4  o 101.490 1.7740 509.910  17.771  510.778  25.230  509.055  25.035  101.417 2.5204 101.250 2.5050 0.1673813      3.553536  
1 1 1 5   23  5  o 116.529 1.9020 672.378  21.876  672.030  31.081  672.719  30.797  116.301 2.7075 116.368 2.6812 -0.6711578E-01 3.810483  
1 1 1 5   23  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 5   23  7  o 62.103  1.7440 190.809  10.690  209.147  17.269  179.415  13.612  64.907  2.6955 60.166  2.2921 4.741211       3.538305  
1 1 1 5   23  8  o 28.162  3.3057 40.003   9.0140  38.181   13.594  41.432   12.042  27.081  5.2753 28.433  4.4357 -1.352734      6.892302  
1 1 1 5   23  9  o 83.143  1.8216 342.026  14.949  340.364  21.357  343.622  20.932  82.830  2.6122 83.236  2.5478 -0.4060364     3.648962  
1 1 1 5   23  10 o 37.542  1.5689 69.687   5.8135  68.512   6.4268  74.973   13.636  37.216  1.7496 38.620  3.6195 -1.404072      4.020178  
1 1 1 5   23  11 o 113.820 6.5143 662.083  72.881  674.639  103.060 649.521  103.079 112.901 9.3319 110.606 9.5350 2.294731       13.34166  
1 1 1 5   23  12 o 60.622  6.7607 189.907  39.765  188.150  55.893  191.708  56.584  58.861  9.9769 59.412  10.005 -0.5508499     14.12910  
1 1 1 5   23  13 o 67.045  1.9013 222.488  12.582  222.412  16.128  222.607  20.111  66.970  2.4398 66.909  3.0452 0.6045532E-01  3.902053  
1 1 1 5   23  14 o 37.384  3.3738 70.191   12.315  76.600   19.135  65.660   16.090  38.646  5.1441 35.862  4.6554 2.784283       6.937916  
1 1 1 5   23  15 o 105.794 2.2099 554.832  23.076  579.001  34.039  534.277  31.391  107.811 3.1988 103.602 3.0698 4.209526       4.433448  
1 1 1 5   23  16 o 17.980  1.1589 16.042   2.0458  21.752   2.9881  11.004   2.8068  20.922  1.4561 14.774  1.9741 6.147512       2.453024  
1 1 1 5   23  17 o 3.7484  1.7968 -2.7393  1.9081  -12.7173 2.8280  5.5985   2.5852  ?       ?      10.409  2.5389 0.000000       2.538936  
1 1 1 5   23  18 o 41.775  1.1785 86.273   4.8592  92.336   8.3425  83.160   5.9780  43.154  1.9586 40.995  1.4774 2.159191       2.453319  
1 1 1 5   23  19 o 43.914  8.1428 106.289  33.995  113.499  48.311  99.216   47.846  43.567  11.179 40.558  11.450 3.009491       16.00252  
1 1 1 5   23  20 o 47.324  1.7258 111.033  8.0614  113.239  11.512  108.909  11.293  47.619  2.4575 46.697  2.4587 0.9219627      3.476310  
1 1 1 5   23  21 o 34.777  0.9994 59.789   3.4306  63.621   4.8931  56.084   4.8112  35.847  1.3829 33.651  1.4485 2.195599       2.002674  
1 1 1 5   23  22 o 15.428  1.9988 12.024   2.9722  12.234   2.9924  -3.3029  25.577  15.565  1.9936 17.161  7.6055 -1.596258      7.862452  
1 1 1 5   23  23 o 26.723  1.1628 35.338   3.0670  29.876   4.4240  40.392   4.2557  24.455  1.8465 28.504  1.5181 -4.049784      2.390389  
1 1 1 5   23  24 o 27.018  5.0997 39.132   13.101  44.456   19.489  34.743   17.696  28.005  7.0542 24.824  6.9478 3.180466       9.901158  
1 1 1 5   24  1  o 57.482  8.2147 180.596  45.282  175.834  79.937  182.847  54.949  51.173  14.913 56.405  10.247 -5.231316      18.09430  
1 1 1 5   24  2  o 16.672  6.5890 9.0041   16.042  8.4037   22.338  9.6434   23.051  18.547  7.6152 19.023  7.7645 -0.4765968     10.87563  
1 1 1 5   24  3  o 11.104  4.3919 3.5477   7.1322  4.9869   10.650  2.3773   9.6038  13.385  5.3437 12.024  4.9711 1.360949       7.298447  
1 1 1 5   24  4  o 72.877  1.7864 263.132  12.850  254.030  18.523  271.575  17.841  71.444  2.6268 73.911  2.4455 -2.467323      3.588960  
1 1 1 5   24  5  o 122.421 2.0150 743.261  24.348  759.660  34.579  727.136  34.289  123.469 2.8374 120.781 2.8762 2.688065       4.040235  
1 1 1 5   24  6  o 81.643  1.9454 330.424  15.677  326.437  23.226  333.760  21.247  80.929  2.9076 81.905  2.6282 -0.9764481     3.919394  
1 1 1 5   24  7  o 112.249 6.6508 654.974  73.359  678.963  104.531 631.693  102.976 111.317 9.6078 107.082 9.8535 4.235931       13.76229  
1 1 1 5   24  8  o 71.846  2.0171 255.891  14.304  249.370  18.916  264.601  21.862  70.799  2.7069 72.853  3.0402 -2.053955      4.070610  
1 1 1 5   24  9  o 16.954  4.9412 14.856   8.7754  10.534   12.810  18.679   12.046  16.127  6.0085 19.054  5.8466 -2.926582      8.383595  
1 1 1 5   24  10 o 64.228  9.9728 228.474  61.172  224.385  86.049  232.653  86.979  59.986  14.658 61.168  14.608 -1.181911      20.69400  
1 1 1 5   24  11 o 27.722  4.2892 39.514   11.357  45.897   16.048  33.111   16.074  29.531  5.7123 24.896  6.4789 4.634884       8.637536  
1 1 1 5   24  12 o 31.797  3.7700 51.335   11.602  49.508   16.138  53.288   16.690  30.747  5.5205 31.936  5.4928 -1.188341      7.787549  
1 1 1 5   24  13 o 32.805  1.0450 53.175   3.3835  50.073   4.7926  56.256   4.7775  31.812  1.5263 33.724  1.4352 -1.911934      2.095133  
1 1 1 5   24  14 o 75.042  2.1139 279.357  15.657  297.181  22.254  261.885  22.033  77.217  2.9198 72.446  3.0812 4.770912       4.244892  
1 1 1 5   24  15 f 43.842  1.3884 95.086   6.0083  94.465   8.5767  95.685   8.4196  43.644  1.9910 43.930  1.9418 -0.2861290     2.781081  
1 1 1 5   24  16 o 45.096  3.0094 102.011  13.318  115.361  20.776  92.698   17.353  47.522  4.4822 42.657  4.1750 4.864624       6.125433  
1 1 1 5   24  17 o 57.024  2.5565 161.997  14.389  166.367  21.739  158.590  19.196  57.323  3.8647 56.094  3.4842 1.228409       5.203461  
1 1 1 5   24  18 o 96.886  8.1405 513.953  77.126  484.825  93.255  577.003  137.201 91.145  10.562 91.720  15.721 -0.5751877     18.93911  
1 1 1 5   24  19 o 73.696  1.4513 268.999  10.557  282.946  14.948  255.118  14.913  75.460  2.0069 71.627  2.1093 3.832359       2.911487  
1 1 1 5   24  20 o 14.432  1.3795 10.408   1.9412  10.751   2.8793  10.122   2.6282  14.562  2.0607 14.145  1.9331 0.4175482      2.825520  
1 1 1 5   24  21 o 39.544  3.4751 79.535   13.426  73.733   20.604  83.817   17.701  37.100  5.8177 40.193  4.5413 -3.093166      7.380352  
1 1 1 5   24  22 o 18.538  6.4469 17.306   14.448  14.812   22.579  19.034   18.802  19.565  7.7902 19.855  7.3015 -0.2903538     10.67707  
1 1 1 5   24  23 o 40.189  3.6966 82.881   14.499  97.229   21.779  71.460   19.432  42.759  5.2719 36.419  5.5837 6.339516       7.679233  
1 1 1 5   25  3  f 57.453  8.2678 182.615  45.534  197.782  81.541  175.742  54.890  53.507  14.893 54.563  10.574 -1.055984      18.26465  
1 1 1 5   25  4  o 27.462  3.3348 38.355   8.8540  42.204   12.870  34.897   12.200  28.427  4.7547 25.726  4.9846 2.701439       6.888626  
1 1 1 5   25  5  o 39.792  2.6460 79.264   10.333  69.472   15.133  87.818   14.144  36.824  4.2410 41.689  3.4687 -4.864826      5.478857  
1 1 1 5   25  6  o 20.516  4.7562 22.252   9.4438  20.076   13.784  24.177   12.965  19.705  6.2848 21.279  5.9440 -1.574259      8.650413  
1 1 1 5   25  7  o 75.125  1.8051 279.818  13.385  279.792  17.667  279.852  20.509  74.992  2.3868 74.894  2.7743 0.9761047E-01  3.659719  
1 1 1 5   25  8  o 52.310  7.2587 147.230  36.468  136.642  51.299  158.047  51.851  47.870  11.077 52.075  10.451 -4.205341      15.22905  
1 1 1 5   25  9  o 29.355  8.4007 48.209   25.574  42.330   35.853  54.299   36.490  28.249  10.126 30.940  10.252 -2.690365      14.40975  
1 1 1 5   25  10 o 64.572  1.7802 206.706  11.346  211.115  14.122  198.679  19.057  65.181  2.1950 63.029  3.0632 2.152172       3.768490  
1 1 1 5   25  11 o 30.898  1.6964 47.452   5.1539  47.786   21.030  47.430   5.3160  29.469  7.2739 30.884  1.7511 -1.415123      7.481715  
1 1 1 5   25  12 f 44.340  2.8106 98.528   12.237  90.526   17.915  105.527  16.755  42.035  4.3824 45.629  3.7536 -3.594418      5.770140  
1 1 1 5   25  13 o 32.696  3.9928 54.754   12.618  61.485   21.190  51.057   15.705  33.721  6.6029 31.135  5.3004 2.586061       8.467135  
1 1 1 5   25  14 o 23.329  1.1269 26.913   2.5948  35.421   3.7046  18.718   3.6357  26.712  1.4101 19.324  1.9320 7.387865       2.391836  
1 1 1 5   25  15 o 60.828  2.3327 184.219  14.005  183.272  19.879  185.152  19.734  60.303  3.3531 60.628  3.3103 -0.3254814     4.711834  
1 1 1 5   25  16 o 14.252  6.2187 -1.2575  16.496  10.892   25.979  -9.4648  21.353  19.811  8.1820 14.766  6.7113 5.044877       10.58242  
1 1 1 5   25  17 o 43.075  8.4013 105.581  34.437  84.216   49.382  125.807  48.048  36.278  11.922 45.162  10.903 -8.883572      16.15559  
1 1 1 5   25  18 o 76.358  4.8991 301.911  36.729  440.610  79.574  264.362  41.403  87.210  9.3924 70.616  5.9969 16.59445       11.14356  
1 1 1 5   25  19 o 63.234  3.4091 202.448  21.199  186.340  25.235  241.079  39.079  60.226  4.2728 67.358  5.9387 -7.132008      7.316076  
1 1 1 5   25  20 o 47.056  3.5720 112.827  16.467  161.049  34.800  98.914   18.692  54.364  6.6222 43.690  4.3941 10.67385       7.947380  
1 1 1 5   25  21 o 57.090  3.6375 166.357  20.391  179.554  50.206  163.750  22.314  54.337  9.7178 56.427  4.0330 -2.090172      10.52144  
1 1 1 5   25  22 o 26.498  8.5103 41.932   25.241  51.371   35.041  31.753   36.389  28.615  10.035 24.738  9.8771 3.877378       14.08041  
1 1 1 5   26  6  o 15.342  1.6278 11.800   2.4274  7.3083   14.530  11.929   2.4620  15.521  6.2256 15.425  1.6424 0.9596348E-01  6.438612  
1 1 1 5   26  7  o 45.942  7.8001 117.184  34.106  118.964  49.873  115.620  46.744  43.625  11.441 43.407  10.920 0.2179451      15.81582  
1 1 1 5   26  8  o 57.300  7.2804 178.580  40.247  170.049  57.279  186.898  56.562  52.597  11.365 55.901  10.640 -3.304108      15.56830  
1 1 1 5   26  9  o 48.978  7.5598 131.932  35.370  138.612  50.111  125.300  49.931  47.743  10.877 44.997  11.267 2.746220       15.66058  
1 1 1 5   26  10 o 22.129  1.6573 24.416   3.5938  24.087   3.6993  29.934   15.151  21.970  1.7196 23.421  6.3807 -1.451115      6.608345  
1 1 1 5   26  11 o 24.869  1.9538 30.911   4.7574  28.793   5.1198  44.305   12.874  23.957  2.1894 29.102  4.6373 -5.145376      5.128154  
1 1 1 5   26  12 o 25.522  1.7288 32.463   4.3294  31.975   4.5025  38.446   15.767  25.316  1.8139 26.554  6.1387 -1.238022      6.401067  
1 1 1 5   26  13 o 15.550  5.6229 10.951   11.083  12.312   16.058  9.7117   15.317  17.411  6.6732 16.442  6.4574 0.9689045      9.285997  
1 1 1 5   26  14 o 28.679  4.3623 42.885   11.959  30.916   17.623  53.102   16.282  23.663  7.0313 31.566  5.4213 -7.903587      8.878574  
1 1 1 5   26  15 o 17.912  7.7710 2.0572   25.453  -10.0199 43.902  8.1720   31.239  21.021  9.5807 20.451  8.7369 0.5697308      12.96618  
1 1 1 5   26  16 o 24.202  9.4440 28.022   32.593  26.837   60.705  28.502   38.633  27.599  11.987 25.102  10.122 2.496788       15.68941  
1 1 1 5   26  17 o 25.093  5.3032 33.998   12.724  24.130   20.043  40.659   16.468  21.507  7.5855 27.115  6.2771 -5.607765      9.845887  
1 1 1 5   26  18 o 9.4736  1.4476 4.5511   1.3107  8.9989   2.0704  1.5767   1.6931  13.371  1.6006 6.1218  2.1998 7.249519       2.720466  
1 1 1 5   26  19 o 36.779  1.8654 67.482   6.7496  90.287   64.155  67.227   6.7873  34.906  13.348 36.706  1.8797 -1.799885      13.47964  
1 1 1 5   26  20 o 17.110  1.7210 14.702   2.8670  6.7309   4.1787  21.792   3.9409  11.431  3.4300 20.824  1.9396 -9.393026      3.940451  
1 1 1 5   27  9  o 133.439 8.3113 1011.87  108.925 1048.22  190.425 994.195  132.795 113.594 17.549 126.981 10.695 -13.38747      20.55141  
1 1 1 5   27  10 o 35.955  8.5186 75.990   29.768  83.235   42.160  68.787   42.037  35.947  10.920 32.813  11.007 3.134384       15.50476  
1 1 1 5   27  11 o 22.041  1.6958 24.263   3.6609  38.942   16.340  23.487   3.7564  26.493  6.3345 21.672  1.7716 4.820978       6.577533  
1 1 1 5   27  12 o 57.375  1.4219 163.176  8.0524  163.999  13.096  162.676  10.211  57.313  2.3150 57.210  1.8082 0.1029968      2.937514  
1 1 1 5   27  13 o 33.613  1.7771 56.303   5.8748  66.498   23.559  55.627   6.0664  34.298  7.1891 33.397  1.8475 0.9015923      7.422678  
1 1 1 5   27  14 o 42.511  8.3662 105.602  33.854  122.492  47.442  88.078   48.325  43.370  11.051 35.967  11.793 7.402523       16.16129  
1 1 1 5   27  15 o 16.710  6.2361 12.584   13.810  12.484   17.409  12.755   22.680  17.601  6.8927 18.971  7.7177 -1.369436      10.34758  
1 1 1 5   27  16 o 49.065  1.8198 119.788  8.8130  120.453  9.8388  117.090  19.824  49.153  2.0280 47.475  4.2764 1.678005       4.732852  
1 1 1 5   27  17 o 25.703  1.5117 32.912   3.8184  18.478   22.143  33.354   3.8764  20.020  7.7919 25.874  1.5246 -5.853672      7.939706  
1 1 1 6   -22 0  o 36.089  3.6660 66.223   12.877  64.176   13.657  82.635   38.669  35.431  3.9736 37.359  10.200 -1.927998      10.94674  
1 1 1 6   -22 1  o 26.043  1.0696 33.534   2.7495  33.429   2.8127  35.791   13.037  26.001  1.0960 25.942  5.2713 0.5977440E-01  5.383989  
1 1 1 6   -21 0  o 37.794  1.2196 70.628   4.5494  55.153   6.4264  86.175   6.4414  33.290  1.9645 41.721  1.5642 -8.431080      2.511130  
1 1 1 6   -21 1  o 50.079  7.2449 134.252  34.771  141.331  49.371  127.286  48.978  49.474  10.439 46.621  10.848 2.853287       15.05433  
1 1 1 6   -21 2  o 30.569  8.1475 51.907   25.029  61.287   35.374  42.503   35.419  32.747  10.014 28.396  10.076 4.350956       14.20617  
1 1 1 6   -21 3  o 13.169  5.8762 -4.9830  15.535  -4.1053  22.351  -5.8033  21.606  16.126  7.1300 15.565  6.9389 0.5608292      9.949172  
1 1 1 6   -20 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -20 1  o 32.946  1.6625 53.863   5.3890  50.559   5.7662  76.665   15.149  31.897  1.8393 38.888  4.0040 -6.990290      4.406214  
1 1 1 6   -20 2  o 62.004  2.1963 190.753  13.441  188.215  13.810  236.319  58.523  61.578  2.2722 65.653  9.2905 -4.074436      9.564352  
1 1 1 6   -20 3  o 27.854  1.0467 38.338   2.8777  40.979   4.0021  35.511   4.1408  28.783  1.4087 26.740  1.5758 2.042967       2.113693  
1 1 1 6   -20 4  o 40.651  1.4706 81.762   5.9005  81.018   6.7881  84.063   11.935  40.449  1.7003 40.955  2.9726 -0.5068512     3.424508  
1 1 1 6   -20 5  o 57.431  1.5385 163.258  8.7211  157.505  11.067  172.682  14.166  56.355  1.9896 58.937  2.4351 -2.581295      3.144587  
1 1 1 6   -19 0  o 23.491  1.4604 27.381   3.3695  26.904   3.5723  31.227   10.145  23.276  1.5640 24.639  4.3295 -1.363779      4.603327  
1 1 1 6   -19 1  o 64.183  1.5848 203.703  10.040  204.167  14.239  203.243  14.158  64.193  2.2472 64.048  2.2396 0.1446533      3.172698  
1 1 1 6   -19 2  f 53.794  1.1935 142.987  6.3371  124.301  11.322  151.513  7.6472  50.074  2.2907 55.362  1.3995 -5.287678      2.684350  
1 1 1 6   -19 3  o 48.099  1.7381 114.496  8.2517  114.496  8.2517  0.0000   0.0000  48.099  1.7381 ?       ?      0.000000       1.738114  
1 1 1 6   -19 4  o 28.546  2.4759 40.760   6.9070  37.832   8.8123  45.424   11.122  27.340  3.3346 29.881  3.8614 -2.540197      5.101943  
1 1 1 6   -19 5  o 44.845  1.7916 99.579   7.9303  106.944  11.541  92.989   10.916  46.330  2.5333 43.185  2.5725 3.144676       3.610448  
1 1 1 6   -19 6  o 87.792  1.5982 381.416  13.849  368.350  19.273  395.364  19.913  86.157  2.2664 89.262  2.2602 -3.104782      3.200747  
1 1 1 6   -19 7  o 151.232 2.4373 1136.46  36.382  1198.86  62.361  1104.26  44.796  154.377 4.0926 148.789 3.0503 5.588379       5.104251  
1 1 1 6   -18 0  o 95.632  1.6664 452.010  15.730  424.475  22.248  479.530  22.242  92.597  2.4342 98.437  2.2892 -5.839592      3.341513  
1 1 1 6   -18 1  o 70.579  1.5844 246.192  11.038  252.400  15.719  240.154  15.502  71.414  2.2301 69.658  2.2546 1.756111       3.171222  
1 1 1 6   -18 2  o 97.401  1.6788 469.014  16.140  450.674  21.754  491.471  24.073  95.405  2.3102 99.609  2.4485 -4.204559      3.366284  
1 1 1 6   -18 3  o 70.540  1.4837 245.936  10.330  245.268  14.266  246.671  14.979  70.396  2.0531 70.587  2.1499 -0.1913376     2.972746  
1 1 1 6   -18 4  o 59.627  2.0054 176.001  11.802  176.652  12.100  163.255  53.549  59.733  2.0523 54.636  10.308 5.096634       10.50995  
1 1 1 6   -18 5  o 27.087  1.3718 36.360   3.6558  33.145   9.1478  36.971   3.9881  25.503  3.7457 27.304  1.4854 -1.801592      4.029454  
1 1 1 6   -18 6  o 116.886 1.7985 676.264  20.750  681.871  30.018  671.133  28.715  117.183 2.5952 116.282 2.5019 0.9011307      3.604795  
1 1 1 6   -18 7  o 28.373  2.5175 40.278   6.9771  42.119   9.9875  38.524   9.7510  28.824  3.5882 27.528  3.6808 1.295803       5.140362  
1 1 1 6   -18 8  o 46.242  1.7845 105.869  8.1449  113.421  11.791  98.977   11.264  47.724  2.5119 44.562  2.5719 3.161152       3.595089  
1 1 1 6   -17 0  o 52.454  1.5698 135.924  8.1277  137.370  16.000  135.422  9.4358  52.565  3.0975 52.347  1.8262 0.2175636      3.595774  
1 1 1 6   -17 1  o 79.768  1.5137 314.326  11.918  325.109  17.410  304.819  16.348  81.082  2.1754 78.516  2.1095 2.566238       3.030264  
1 1 1 6   -17 2  o 229.419 3.4316 2611.35  77.708  2525.70  100.850 2736.51  121.913 225.180 4.5375 234.008 5.2782 -8.828506      6.960448  
1 1 1 6   -17 3  o 96.229  1.5648 457.546  14.862  423.982  20.401  495.505  21.696  92.574  2.2327 100.082 2.1963 -7.508186      3.131850  
1 1 1 6   -17 4  o 47.171  1.6204 109.973  7.5447  108.843  10.312  111.274  11.067  46.898  2.2277 47.411  2.3650 -0.5127106     3.248990  
1 1 1 6   -17 5  o 91.979  2.0849 418.653  18.928  415.994  19.449  466.374  82.391  91.679  2.1492 94.533  8.9360 -2.854538      9.190794  
1 1 1 6   -17 6  o 54.431  1.3543 146.406  7.2759  140.878  9.3274  154.999  11.628  53.368  1.7707 55.953  2.1055 -2.584888      2.751110  
1 1 1 6   -17 7  o 43.221  2.5209 92.971   10.708  92.050   15.979  93.722   14.425  42.773  3.8253 43.247  3.4070 -0.4740906     5.122519  
1 1 1 6   -17 8  o 61.533  6.7388 196.163  40.259  189.837  57.059  202.435  56.811  58.814  10.199 61.020  9.7615 -2.206032      14.11740  
1 1 1 6   -17 9  o 45.380  7.2067 108.588  31.201  123.227  44.365  94.263   43.889  47.239  9.8347 40.885  10.738 6.354465       14.56089  
1 1 1 6   -17 10 o 32.663  8.8165 58.634   29.085  42.436   34.637  97.368   53.562  28.765  9.9831 40.869  12.284 -12.10365      15.82920  
1 1 1 6   -16 0  o 127.576 1.8825 804.217  23.705  795.806  33.398  812.757  33.650  126.830 2.6679 128.174 2.6598 -1.344582      3.767275  
1 1 1 6   -16 1  o 83.005  1.4484 340.275  11.866  323.924  16.659  357.116  16.907  80.954  2.0848 85.005  2.0151 -4.050789      2.899495  
1 1 1 6   -16 2  o 102.548 1.5582 519.443  15.771  490.681  21.495  552.984  23.212  99.626  2.1859 105.759 2.2236 -6.132729      3.118145  
1 1 1 6   -16 3  o 70.116  1.4205 242.808  9.8310  238.962  13.625  246.986  14.199  69.533  1.9852 70.688  2.0351 -1.155052      2.843032  
1 1 1 6   -16 4  f 76.305  1.4620 287.603  11.011  277.394  15.084  299.249  16.111  74.908  2.0402 77.799  2.0981 -2.891197      2.926461  
1 1 1 6   -16 5  o 14.136  6.0649 -0.6793  15.170  4.6477   22.155  -5.3811  20.814  18.132  7.5277 15.682  6.9097 2.450606       10.21814  
1 1 1 6   -16 6  o 92.244  6.4423 430.936  58.288  402.316  82.340  459.684  82.523  87.729  9.6696 94.181  8.9864 -6.451309      13.20062  
1 1 1 6   -16 7  o 101.235 6.4593 520.433  64.206  526.342  90.853  514.538  90.749  100.340 9.2785 99.137  9.3859 1.203285       13.19797  
1 1 1 6   -16 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -16 9  o 92.485  1.5094 422.883  13.779  415.919  19.480  429.857  19.493  91.637  2.1537 93.165  2.1198 -1.528084      3.021903  
1 1 1 6   -16 10 o 46.369  1.4996 106.307  6.8636  114.284  9.9378  99.032   9.4908  48.035  2.0960 44.711  2.1506 3.324280       3.003040  
1 1 1 6   -16 11 o 93.005  1.5321 427.776  14.065  447.756  20.043  408.394  19.741  95.058  2.1362 90.772  2.2033 4.286018       3.068873  
1 1 1 6   -15 0  o 10.189  4.0715 2.5104   6.1884  -1.3646  8.7687  6.3555   8.7349  10.517  4.5619 13.178  4.9515 -2.661671      6.732567  
1 1 1 6   -15 1  o 195.085 2.5975 1882.10  50.017  1858.86  67.922  1909.64  73.928  193.704 3.5525 196.275 3.8160 -2.570419      5.213678  
1 1 1 6   -15 2  o 61.680  7.5681 193.761  45.109  199.424  55.394  182.613  77.718  62.111  9.3236 58.075  13.768 4.035633       16.62766  
1 1 1 6   -15 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -15 4  o 71.206  6.4506 255.637  44.844  264.717  63.497  246.601  63.342  71.717  9.1809 69.068  9.5467 2.648849       13.24496  
1 1 1 6   -15 5  o 38.759  7.4188 77.968   27.348  76.845   38.760  79.082   38.592  38.105  10.131 38.641  10.031 -0.5357857     14.25648  
1 1 1 6   -15 6  o 172.672 2.7167 1475.64  46.302  1461.41  54.830  1511.02  86.448  171.735 3.2346 174.130 5.0298 -2.395401      5.980094  
1 1 1 6   -15 7  o 49.599  1.6660 121.555  8.1562  109.237  10.199  143.414  13.586  46.997  2.1986 53.829  2.5570 -6.832218      3.372233  
1 1 1 6   -15 8  o 46.634  1.6758 107.483  7.7135  108.881  13.154  106.750  9.5227  46.785  2.8622 46.456  2.0767 0.3280678      3.536245  
1 1 1 6   -15 9  o 36.400  1.6768 65.503   6.0246  69.939   8.5849  61.198   8.4566  37.511  2.3302 35.064  2.4590 2.447186       3.387732  
1 1 1 6   -15 10 o 54.483  1.3338 146.681  7.1726  157.160  10.238  136.581  10.051  56.364  1.8403 52.537  1.9383 3.826519       2.672797  
1 1 1 6   -15 11 o 45.259  1.3757 101.235  6.1456  108.708  8.7200  93.860   8.6627  46.870  1.8849 43.543  2.0156 3.326809       2.759594  
1 1 1 6   -15 12 o 32.320  1.9101 51.885   6.0665  53.624   8.9255  50.392   8.2706  32.743  2.7882 31.753  2.6635 0.9903507      3.855957  
1 1 1 6   -14 0  o 87.704  6.3320 385.678  54.446  398.749  77.053  372.644  76.943  88.509  8.9426 85.436  9.2731 3.073013       12.88257  
1 1 1 6   -14 1  o 44.538  6.9385 101.439  29.508  108.336  41.900  94.652   41.564  45.464  9.6365 42.388  10.081 3.075424       13.94620  
1 1 1 6   -14 2  o 88.791  6.3428 395.310  55.222  385.112  78.025  405.545  78.168  86.870  9.2417 89.243  8.9968 -2.372986      12.89775  
1 1 1 6   -14 3  o 163.702 2.5322 1324.89  40.915  1319.04  52.723  1333.75  64.874  163.243 3.2722 164.029 4.0069 -0.7865448     5.173269  
1 1 1 6   -14 4  o 185.188 2.4808 1695.45  45.347  1702.30  66.702  1689.57  61.834  185.375 3.6455 184.727 3.3913 0.6478271      4.979008  
1 1 1 6   -14 5  o 59.409  1.2655 174.266  7.4209  182.531  10.694  166.589  10.306  60.787  1.7824 58.072  1.7980 2.715584       2.531736  
1 1 1 6   -14 6  o 127.648 1.8090 804.955  22.792  812.474  32.072  797.282  32.396  128.180 2.5350 126.971 2.5850 1.209106       3.620514  
1 1 1 6   -14 7  o 155.874 2.0664 1200.83  31.793  1190.28  44.832  1211.49  45.092  155.076 2.9289 156.453 2.9200 -1.376984      4.135832  
1 1 1 6   -14 8  o 113.862 1.6549 640.494  18.599  641.627  26.240  639.351  26.367  113.903 2.3340 113.699 2.3495 0.2037811      3.311702  
1 1 1 6   -14 9  o 102.285 1.5080 516.869  15.225  506.087  21.415  527.890  21.650  101.159 2.1448 103.317 2.1230 -2.158287      3.017819  
1 1 1 6   -14 10 o 63.914  1.2732 201.778  8.0322  198.211  11.375  205.325  11.343  63.317  1.8202 64.445  1.7832 -1.128685      2.548147  
1 1 1 6   -14 11 o 96.497  1.5179 460.230  14.457  477.030  20.778  444.463  20.129  98.169  2.1443 94.758  2.1521 3.411285       3.038070  
1 1 1 6   -14 12 o 9.8508  3.5584 4.0194   4.4369  1.3895   6.7841  5.9853   5.8653  10.089  4.1751 11.668  4.1047 -1.578935      5.854912  
1 1 1 6   -14 13 o 55.918  1.3347 154.521  7.3665  157.853  10.116  150.759  10.749  56.485  1.8144 55.189  1.9732 1.296280       2.680590  
1 1 1 6   -13 0  o 36.039  1.2836 64.123   4.5658  66.430   5.1214  55.189   10.079  36.680  1.4146 33.257  3.1063 3.422325       3.413268  
1 1 1 6   -13 1  o 199.940 2.6485 1976.29  52.268  2023.03  70.727  1920.04  77.585  202.152 3.5446 196.858 3.9929 5.294327       5.339276  
1 1 1 6   -13 2  o 58.209  1.1466 167.271  6.5880  153.805  9.6111  179.205  9.0479  55.805  1.7449 60.242  1.5217 -4.437477      2.315191  
1 1 1 6   -13 3  o 129.389 1.9296 826.997  24.643  815.163  35.111  838.486  34.596  128.396 2.7705 130.227 2.6915 -1.830902      3.862629  
1 1 1 6   -13 4  o 169.767 2.2755 1424.23  38.129  1369.11  56.257  1471.07  51.857  166.311 3.4271 172.446 3.0466 -6.135483      4.585490  
1 1 1 6   -13 5  o 213.018 2.7387 2243.77  57.584  2262.81  77.797  2220.71  85.639  213.752 3.6874 211.667 4.0991 2.084991       5.513556  
1 1 1 6   -13 6  o 179.929 2.3860 1600.17  42.374  1595.17  57.691  1606.03  62.443  179.531 3.2556 180.099 3.5127 -0.5679779     4.789383  
1 1 1 6   -13 7  o 141.055 2.0541 983.098  28.599  1006.90  42.269  963.000  38.838  142.657 3.0019 139.533 2.8200 3.124084       4.118712  
1 1 1 6   -13 8  o 65.611  1.2693 212.556  8.2199  217.637  11.456  207.165  11.801  66.376  1.7486 64.756  1.8463 1.620117       2.542908  
1 1 1 6   -13 9  o 122.896 1.6560 746.089  20.088  761.727  28.355  730.331  28.463  124.122 2.3144 121.531 2.3728 2.590652       3.314664  
1 1 1 6   -13 10 o 67.360  1.2051 224.063  8.0127  226.623  11.295  221.469  11.368  67.725  1.6898 66.949  1.7204 0.7759705      2.411403  
1 1 1 6   -13 11 o 38.173  1.4634 71.990   5.5137  78.277   8.0687  66.482   7.5521  39.731  2.0646 36.603  2.0991 3.127560       2.944303  
1 1 1 6   -13 12 o 11.959  3.5756 7.1871   4.5469  8.1016   6.3976  6.2537   6.4635  13.032  4.2916 12.079  4.3025 0.9530668      6.076983  
1 1 1 6   -13 13 o 60.901  1.2300 183.229  7.3939  178.672  10.047  188.613  10.921  60.112  1.6933 61.755  1.7916 -1.642651      2.465208  
1 1 1 6   -13 14 o 34.724  1.4262 59.591   4.8882  63.213   6.5902  55.161   7.2882  35.695  1.8771 33.299  2.2304 2.396217       2.915112  
1 1 1 6   -12 0  o 134.675 2.0660 895.918  27.464  880.310  35.113  920.512  44.076  133.457 2.6656 136.418 3.2734 -2.961411      4.221441  
1 1 1 6   -12 1  o 87.169  1.4363 375.162  12.358  363.300  18.755  384.263  16.428  85.753  2.2158 88.205  1.8869 -2.452141      2.910386  
1 1 1 6   -12 2  o 81.758  1.3090 330.010  10.563  331.045  14.622  328.881  15.277  81.872  1.8094 81.601  1.8967 0.2710266      2.621375  
1 1 1 6   -12 3  o 148.555 1.9524 1090.07  28.628  1065.43  40.229  1115.36  40.749  146.801 2.7764 150.205 2.7485 -3.403702      3.906723  
1 1 1 6   -12 4  o 167.222 2.5495 1382.11  42.080  1403.99  65.784  1366.95  54.746  168.363 3.9586 166.214 3.3370 2.149185       5.177417  
1 1 1 6   -12 5  o 70.453  1.2756 245.055  8.8707  253.598  11.937  234.518  13.257  71.660  1.6877 68.904  1.9492 2.756027       2.578314  
1 1 1 6   -12 6  o 100.803 1.4512 501.725  14.439  514.867  20.935  489.803  19.940  102.087 2.0777 99.574  2.0288 2.513420       2.903933  
1 1 1 6   -12 7  o 17.174  3.0530 15.025   4.9854  14.041   6.9652  16.059   7.1389  16.520  4.2478 17.649  4.1652 -1.128641      5.949153  
1 1 1 6   -12 8  o 176.113 2.4187 1533.01  42.045  1597.03  59.524  1469.26  59.397  179.627 3.3573 172.271 3.4932 7.356461       4.844959  
1 1 1 6   -12 9  o 129.855 2.3839 833.511  30.555  736.401  116.567 840.676  31.662  120.140 9.9188 130.406 2.4599 -10.26593      10.21925  
1 1 1 6   -12 10 o 186.375 2.3935 1717.36  44.031  1719.49  62.203  1715.22  62.334  186.324 3.3823 186.090 3.3937 0.2337799      4.791358  
1 1 1 6   -12 11 o 101.633 1.4848 510.188  14.894  503.556  21.028  516.865  21.100  100.927 2.1109 102.254 2.0906 -1.326759      2.970893  
1 1 1 6   -12 12 o 58.557  1.2036 169.336  6.9563  166.702  9.5146  172.360  10.196  58.082  1.6596 59.056  1.7492 -0.9732552     2.411235  
1 1 1 6   -12 13 o 24.332  1.8749 29.449   4.4682  32.219   5.6817  24.959   7.2338  25.411  2.2899 22.163  3.4166 3.248411       4.113038  
1 1 1 6   -12 14 f 13.164  3.0810 8.9476   3.9324  10.451   4.9332  6.3280   6.5126  14.218  3.5312 12.134  4.3192 2.084259       5.578989  
1 1 1 6   -12 15 o 72.268  1.2964 258.044  9.2472  255.012  12.126  262.258  14.295  71.812  1.7108 72.799  1.9894 -0.9876251     2.623804  
1 1 1 6   -11 0  o 179.692 2.9168 1595.86  51.733  1598.06  62.723  1591.17  91.488  179.755 3.5352 179.149 5.1739 0.6060638      6.266306  
1 1 1 6   -11 1  o 66.370  1.1913 217.447  7.8044  218.184  10.765  216.630  11.332  66.475  1.6406 66.236  1.7333 0.2389679      2.386596  
1 1 1 6   -11 2  o 95.313  1.6121 448.560  15.166  463.818  20.865  431.470  22.082  96.901  2.1815 93.452  2.3940 3.448692       3.238822  
1 1 1 6   -11 3  o 129.847 1.8209 832.628  23.337  865.937  32.873  798.786  33.135  132.379 2.5159 127.135 2.6405 5.244423       3.647185  
1 1 1 6   -11 4  o 48.596  1.3136 116.588  6.3007  127.065  8.6877  104.961  9.1516  50.725  1.7352 46.098  2.0113 4.627728       2.656367  
1 1 1 6   -11 5  f 36.243  1.0796 64.842   3.8622  58.532   7.6382  67.009   4.4767  34.345  2.2659 36.842  1.2311 -2.497265      2.578728  
1 1 1 6   -11 6  o 77.655  1.3301 297.723  10.195  316.391  14.271  278.266  14.569  80.040  1.8064 75.058  1.9666 4.982109       2.670312  
1 1 1 6   -11 7  o 144.982 2.0126 1038.30  28.801  1023.75  38.789  1056.18  42.996  143.907 2.7308 146.145 2.9806 -2.237900      4.042478  
1 1 1 6   -11 8  o 76.374  1.2661 287.974  9.5445  298.916  13.027  275.295  14.023  77.800  1.6965 74.656  1.9031 3.143707       2.549458  
1 1 1 6   -11 9  o 149.346 1.9985 1101.81  29.460  1116.52  41.602  1087.02  41.725  150.269 2.8049 148.266 2.8512 2.003006       3.999558  
1 1 1 6   -11 10 o 96.612  1.9300 461.088  18.404  453.697  83.867  461.462  18.864  94.456  9.1085 96.648  1.9774 -2.192291      9.320649  
1 1 1 6   -11 11 o 64.377  1.1317 204.609  7.1909  198.407  10.016  211.205  10.330  63.382  1.6010 65.394  1.6004 -2.012142      2.263774  
1 1 1 6   -11 12 o 66.782  1.1699 220.204  7.7116  221.259  10.832  219.120  10.981  66.926  1.6398 66.600  1.6704 0.3254013      2.340783  
1 1 1 6   -11 13 o 92.435  1.3961 422.033  12.738  429.344  17.964  414.639  18.064  93.195  1.9529 91.581  1.9984 1.613472       2.794144  
1 1 1 6   -11 14 o 70.952  1.2408 248.653  8.6899  254.066  12.069  242.826  12.522  71.694  1.7055 70.083  1.8102 1.610756       2.487102  
1 1 1 6   -11 15 o 99.224  1.4605 486.521  14.303  495.466  20.047  477.246  20.414  100.071 2.0296 98.205  2.1060 1.866707       2.924806  
1 1 1 6   -11 16 o 45.366  1.2257 101.669  5.4886  97.960   7.6681  105.565  7.8594  44.508  1.7455 46.204  1.7234 -1.696640      2.452898  
1 1 1 6   -10 0  o 83.624  1.2893 345.188  10.642  335.744  14.768  355.392  15.350  82.463  1.8143 84.841  1.8330 -2.378189      2.579113  
1 1 1 6   -10 1  o 226.806 3.3851 2542.76  75.780  2489.90  107.166 2595.62  107.173 224.250 4.8416 228.976 4.7420 -4.726440      6.777033  
1 1 1 6   -10 2  o 72.812  1.1947 261.695  8.5857  244.706  12.265  278.023  12.023  70.399  1.7650 75.042  1.6232 -4.642265      2.397954  
1 1 1 6   -10 3  o 91.014  1.4261 408.946  12.811  425.274  18.502  393.908  17.756  92.798  2.0200 89.311  2.0143 3.487610       2.852635  
1 1 1 6   -10 4  o 64.362  1.2594 204.498  8.0005  206.729  11.089  202.076  11.554  64.704  1.7364 63.970  1.8298 0.7341232      2.522557  
1 1 1 6   -10 5  o 196.658 3.1020 1912.12  60.213  1878.40  91.525  1937.86  79.952  194.677 4.7631 197.844 4.0943 -3.167648      6.280935  
1 1 1 6   -10 6  o 129.851 1.7913 832.664  22.959  816.024  33.835  846.863  31.256  128.497 2.6678 130.919 2.4188 -2.422043      3.601021  
1 1 1 6   -10 7  o 99.637  1.4444 490.154  14.205  521.305  20.926  463.529  19.346  102.731 2.0637 96.873  2.0233 5.858307       2.890082  
1 1 1 6   -10 8  o 154.803 2.4115 1184.13  36.847  1170.66  46.929  1205.78  59.498  153.859 3.0902 156.061 3.8626 -2.201736      4.946554  
1 1 1 6   -10 9  o 82.391  1.2716 335.133  10.341  334.720  14.400  335.574  14.861  82.327  1.7721 82.430  1.8266 -0.1032410     2.544917  
1 1 1 6   -10 10 o 146.107 1.8956 1054.39  27.337  1094.15  38.721  1014.89  38.599  148.779 2.6368 143.281 2.7293 5.498184       3.794975  
1 1 1 6   -10 11 o 132.846 3.5713 873.705  46.828  1009.53  170.670 862.647  48.697  139.859 12.495 131.982 3.7381 7.876923       13.04200  
1 1 1 6   -10 12 o 91.870  1.3642 416.754  12.370  407.726  17.491  425.791  17.498  90.845  1.9506 92.838  1.9095 -1.992767      2.729668  
1 1 1 6   -10 13 f 65.191  1.1452 209.833  7.3687  208.002  10.321  211.737  10.524  64.892  1.6114 65.472  1.6285 -0.5794754     2.290974  
1 1 1 6   -10 14 o 126.716 1.7209 793.424  21.524  777.430  30.240  809.846  30.643  125.354 2.4441 127.942 2.4265 -2.588951      3.444011  
1 1 1 6   -10 15 o 95.892  1.4639 454.307  13.856  429.379  19.267  481.007  19.940  93.169  2.0952 98.616  2.0486 -5.447296      2.930247  
1 1 1 6   -10 16 f 76.783  1.2724 291.236  9.6435  283.215  13.693  299.129  13.583  75.679  1.8332 77.781  1.7693 -2.102478      2.547724  
1 1 1 6   -10 17 o 39.167  1.3499 75.799   5.2185  75.713   6.8068  75.922   8.1279  39.129  1.7624 39.109  2.1134 0.1974487E-01  2.751829  
1 1 1 6   -9  0  o 107.314 1.8967 568.561  20.090  552.428  36.226  575.727  24.143  105.736 3.4711 107.980 2.2653 -2.244484      4.144865  
1 1 1 6   -9  1  o 143.031 2.7947 1010.47  39.455  1210.61  130.838 990.449  41.382  155.789 8.5413 141.600 2.9608 14.18961       9.039893  
1 1 1 6   -9  2  o 356.234 4.5280 6277.58  159.210 6400.30  225.222 6155.00  225.093 359.292 6.3508 352.308 6.4730 6.983978       9.068243  
1 1 1 6   -9  3  o 137.286 1.9461 930.603  26.372  892.287  37.492  968.125  37.101  134.395 2.8263 139.997 2.6850 -5.601669      3.898338  
1 1 1 6   -9  4  o 134.623 1.8846 894.869  25.043  903.894  33.727  883.779  37.387  135.274 2.5259 133.745 2.8321 1.528931       3.794897  
1 1 1 6   -9  5  o 30.285  1.4483 45.280   4.3293  45.069   6.0433  45.503   6.2050  30.140  2.0434 30.282  2.0887 -0.1420155     2.922060  
1 1 1 6   -9  6  o 93.611  1.4908 432.635  13.774  450.573  17.896  406.562  21.576  95.520  1.8981 90.718  2.4095 4.802147       3.067352  
1 1 1 6   -9  7  o 222.802 3.0039 2453.99  66.061  2425.97  93.638  2481.76  93.212  221.333 4.2862 223.876 4.2182 -2.542496      6.013730  
1 1 1 6   -9  8  o 124.603 1.6977 766.667  20.879  773.937  29.525  759.393  29.531  125.158 2.3900 123.975 2.4133 1.182877       3.396477  
1 1 1 6   -9  9  o 47.256  1.0531 110.234  4.9122  116.195  7.0398  104.577  6.8575  48.512  1.4702 46.022  1.5096 2.489590       2.107238  
1 1 1 6   -9  10 o 148.122 1.9608 1083.65  28.667  1081.64  40.035  1085.77  41.067  147.928 2.7419 148.204 2.8074 -0.2763672     3.924213  
1 1 1 6   -9  11 o 32.931  1.2368 53.539   4.0203  48.136   5.6236  59.187   5.7495  31.165  1.8363 34.620  1.6826 -3.454559      2.490553  
1 1 1 6   -9  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -9  13 o 61.514  1.1261 186.812  6.8375  193.141  9.6393  180.403  9.7002  62.538  1.5616 60.439  1.6260 2.099159       2.254472  
1 1 1 6   -9  14 o 99.028  1.4148 484.287  13.829  501.153  19.699  467.900  19.417  100.706 1.9818 97.305  2.0217 3.401016       2.831061  
1 1 1 6   -9  15 o 162.664 2.1046 1308.22  33.791  1312.49  47.776  1303.94  47.799  162.782 2.9735 162.248 2.9848 0.5331726      4.213138  
1 1 1 6   -9  16 o 25.494  1.5554 32.236   3.8953  41.447   6.4553  26.962   4.8849  28.851  2.2855 23.247  2.1533 5.603977       3.140160  
1 1 1 6   -9  17 o 53.891  1.1517 143.441  6.1261  138.207  8.4028  149.378  8.9503  52.880  1.6099 54.973  1.6495 -2.093460      2.304923  
1 1 1 6   -9  18 o 63.971  1.4135 202.220  8.9250  195.567  10.211  223.758  18.372  62.896  1.6448 67.170  2.7711 -4.274052      3.222478  
1 1 1 6   -8  0  o 182.965 2.6137 1653.03  47.201  1614.46  71.040  1683.52  63.158  180.752 3.9819 184.606 3.4661 -3.854309      5.279149  
1 1 1 6   -8  1  o 225.139 2.9924 2503.38  66.498  2471.10  94.001  2535.72  94.085  223.597 4.2592 226.506 4.2083 -2.908539      5.987560  
1 1 1 6   -8  2  o 251.414 4.3268 3124.59  107.372 3342.96  268.575 3083.05  117.140 259.014 10.505 249.695 4.7530 9.319839       11.53047  
1 1 1 6   -8  3  o 259.396 3.2249 3324.00  82.568  3301.36  114.290 3348.72  119.415 258.391 4.4812 260.219 4.6493 -1.827393      6.457358  
1 1 1 6   -8  4  o 207.716 2.9448 2131.33  60.375  2128.34  90.541  2133.72  81.017  207.449 4.4218 207.755 3.9508 -0.3060608     5.929726  
1 1 1 6   -8  5  o 204.010 2.6545 2055.80  53.452  2103.82  72.287  1997.87  79.398  206.309 3.5498 201.005 4.0019 5.303787       5.349476  
1 1 1 6   -8  6  o 31.185  1.4195 48.009   4.3694  64.680   6.4571  33.927   5.9345  36.194  1.8075 26.106  2.3275 10.08773       2.946900  
1 1 1 6   -8  7  f 161.769 2.1653 1292.46  34.573  1318.25  51.448  1271.23  46.686  163.303 3.1918 160.383 2.9491 2.919754       4.345708  
1 1 1 6   -8  8  o 194.453 2.7229 1868.54  52.261  1836.66  77.849  1894.70  70.510  192.628 4.0945 195.708 3.6501 -3.079437      5.485281  
1 1 1 6   -8  9  o 164.075 2.3369 1329.94  37.846  1368.81  47.293  1260.71  63.111  166.411 2.8793 159.589 4.0065 6.821655       4.933830  
1 1 1 6   -8  10 o 38.229  1.0094 72.140   3.8086  67.308   5.4783  76.659   5.2987  36.922  1.5032 39.405  1.3623 -2.482964      2.028693  
1 1 1 6   -8  11 o 173.312 2.3110 1483.98  39.533  1472.02  52.607  1499.49  59.919  172.539 3.0890 174.096 3.4869 -1.556412      4.658400  
1 1 1 6   -8  12 o 290.013 3.4797 4161.54  99.608  4268.00  140.924 4055.24  140.810 293.339 4.8672 285.897 4.9899 7.441376       6.970570  
1 1 1 6   -8  13 o 119.587 2.4058 706.728  28.397  706.728  28.397  0.0000   0.0000  119.587 2.4058 ?       ?      0.000000       2.405771  
1 1 1 6   -8  14 o 35.815  1.2318 63.329   4.3544  61.496   5.8889  65.539   6.4678  35.287  1.6908 36.426  1.7989 -1.139568      2.468780  
1 1 1 6   -8  15 o 53.699  1.1765 142.374  6.2358  126.642  8.5996  159.818  9.0557  50.632  1.7208 56.882  1.6129 -6.250130      2.358490  
1 1 1 6   -8  16 o 53.427  1.1298 140.949  5.9580  154.186  9.1685  131.273  7.8387  55.863  1.6628 51.549  1.5406 4.313637       2.266800  
1 1 1 6   -8  17 o 113.899 1.6592 641.153  18.654  689.160  26.737  595.621  26.038  118.010 2.2954 109.695 2.4048 8.315147       3.324451  
1 1 1 6   -8  18 o 15.659  2.7169 12.500   4.0471  9.8024   7.0969  13.800   4.9267  14.151  4.5092 16.403  3.1576 -2.251962      5.504896  
1 1 1 6   -8  19 o 106.072 1.8251 556.459  19.108  556.021  23.504  557.311  32.816  105.971 2.2471 105.931 3.1385 0.4053497E-01  3.860029  
1 1 1 6   -7  0  o 344.760 5.5959 5878.31  190.422 5846.12  241.949 5930.70  308.668 343.588 7.1343 345.706 9.0459 -2.117401      11.52073  
1 1 1 6   -7  1  o 125.615 2.4758 779.058  30.697  750.544  43.098  808.420  43.734  123.268 3.5422 127.935 3.4633 -4.666870      4.953952  
1 1 1 6   -7  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -7  3  o 198.107 6.9845 1944.11  136.574 1866.62  192.970 2021.89  193.322 193.461 10.141 201.681 9.7114 -8.219620      14.04097  
1 1 1 6   -7  4  o 102.633 6.1657 523.359  62.171  528.942  87.949  517.783  87.897  102.835 8.7478 101.722 8.8423 1.113281       12.43831  
1 1 1 6   -7  5  o 88.741  6.1594 391.889  53.616  398.438  75.759  385.318  75.891  89.116  8.7248 87.592  8.9016 1.523514       12.46437  
1 1 1 6   -7  6  f 200.781 7.0311 2000.40  139.342 1992.20  197.068 2008.60  197.050 199.564 10.037 200.647 9.9497 -1.082336      14.13263  
1 1 1 6   -7  7  o 147.805 6.4996 1084.06  94.821  1097.55  134.081 1070.56  134.115 148.038 9.2220 146.170 9.3446 1.867493       13.12886  
1 1 1 6   -7  8  o 174.689 6.7584 1516.38  116.532 1479.28  164.754 1553.53  164.849 171.638 9.7653 175.979 9.5261 -4.340530      13.64213  
1 1 1 6   -7  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -7  10 o 163.690 6.7519 1333.30  109.089 1375.63  154.378 1291.08  154.173 165.346 9.4991 160.067 9.8056 5.279144       13.65220  
1 1 1 6   -7  11 o 88.762  6.3973 393.815  55.672  376.417  78.619  411.314  78.845  86.132  9.4003 90.182  8.9770 -4.050316      12.99811  
1 1 1 6   -7  12 o 152.545 3.4341 1151.08  51.706  975.635  135.361 1181.05  55.949  138.925 9.9371 154.493 3.6690 -15.56799      10.59278  
1 1 1 6   -7  13 o 56.331  1.0927 156.643  6.0757  157.587  8.5471  155.679  8.6382  56.494  1.5328 56.150  1.5586 0.3435020      2.186025  
1 1 1 6   -7  14 o 103.981 2.0894 534.130  21.444  534.468  21.752  522.435  127.817 104.013 2.1188 100.135 13.258 3.878120       13.42637  
1 1 1 6   -7  15 o 89.881  1.3388 398.885  11.877  398.991  16.558  398.772  17.046  89.873  1.8666 89.846  1.9221 0.2711487E-01  2.679338  
1 1 1 6   -7  16 o 50.155  1.1426 124.197  5.6565  141.918  8.1954  108.075  7.8170  53.604  1.5490 46.774  1.6932 6.829533       2.294813  
1 1 1 6   -7  17 o 74.644  1.2297 275.152  9.0596  296.754  13.204  255.935  12.454  77.494  1.7262 71.966  1.7532 5.528305       2.460397  
1 1 1 6   -7  18 o 122.025 1.7020 735.967  20.499  789.920  29.548  685.906  28.463  126.329 2.3697 117.706 2.4499 8.622620       3.408419  
1 1 1 6   -7  19 o 53.844  1.3209 143.224  7.0202  126.560  10.467  156.848  9.4642  50.577  2.0968 56.328  1.7022 -5.751747      2.700783  
1 1 1 6   -7  20 o 154.043 2.3675 1175.43  35.998  1190.59  60.016  1166.90  44.989  154.530 3.9348 153.320 2.9728 1.210648       4.931545  
1 1 1 6   -6  0  o 152.259 6.4830 1147.22  97.430  1164.10  137.779 1130.34  137.795 152.897 9.1720 150.634 9.3135 2.263077       13.07155  
1 1 1 6   -6  1  o 126.419 6.2706 790.735  78.245  796.854  110.734 784.634  110.576 126.431 8.9309 125.445 8.9901 0.9863052      12.67214  
1 1 1 6   -6  2  o 237.396 7.4374 2791.41  174.273 2849.31  246.494 2733.54  246.423 239.426 10.430 234.477 10.648 4.949493       14.90513  
1 1 1 6   -6  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -6  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -6  5  o 239.605 7.4669 2845.21  176.592 2754.77  249.641 2935.80  249.835 235.239 10.752 242.909 10.420 -7.670044      14.97257  
1 1 1 6   -6  6  o 147.741 6.4728 1081.10  94.389  1046.73  133.445 1115.50  133.529 144.791 9.3881 149.544 9.0894 -4.752457      13.06728  
1 1 1 6   -6  7  o 139.390 6.4175 962.930  88.294  986.127  124.858 939.728  124.874 140.483 9.0527 137.080 9.2839 3.402939       12.96696  
1 1 1 6   -6  8  o 202.850 7.0555 2043.11  141.265 1994.41  199.700 2091.89  199.857 199.518 10.174 204.660 9.8936 -5.141907      14.19156  
1 1 1 6   -6  9  o 205.851 7.1752 2106.83  145.786 2052.79  206.111 2160.94  206.236 202.131 10.366 207.738 10.058 -5.606903      14.44339  
1 1 1 6   -6  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -6  11 o 121.506 6.3324 735.751  75.682  728.015  107.013 743.493  107.049 120.251 9.0830 121.554 8.9861 -1.302917      12.77701  
1 1 1 6   -6  12 o 65.433  6.1237 214.589  39.090  224.885  55.325  204.324  55.238  66.513  8.6305 63.240  9.1124 3.272919       12.55073  
1 1 1 6   -6  13 o 204.509 7.1246 2084.37  143.815 2145.79  203.484 2023.07  203.286 206.535 9.9816 200.162 10.325 6.372803       14.36076  
1 1 1 6   -6  14 o 206.216 2.6340 2101.69  53.612  2144.20  77.189  2062.06  74.521  208.137 3.7573 204.120 3.6988 4.016541       5.272374  
1 1 1 6   -6  15 o 87.631  1.3347 379.138  11.545  377.033  15.955  381.451  16.726  87.371  1.8502 87.879  1.9282 -0.5074463     2.672308  
1 1 1 6   -6  16 o 113.490 1.5846 636.085  17.751  666.033  25.196  606.575  25.011  116.094 2.1988 110.785 2.2873 5.309059       3.172769  
1 1 1 6   -6  17 o 40.031  1.2579 79.128   4.9700  66.170   6.5037  97.318   7.7055  36.596  1.8005 44.383  1.7590 -7.786480      2.517095  
1 1 1 6   -6  18 o 59.917  1.2670 177.304  7.4929  168.036  11.039  185.222  10.203  58.303  1.9183 61.223  1.6885 -2.920162      2.555511  
1 1 1 6   -6  19 o 94.934  1.4585 445.289  13.667  466.619  20.081  426.885  18.653  97.123  2.0947 92.902  2.0342 4.220978       2.919913  
1 1 1 6   -6  20 o 18.822  2.7008 17.913   4.8739  19.596   7.0579  16.379   6.7385  19.517  3.8005 17.794  3.9407 1.722845       5.474725  
1 1 1 6   -5  0  o 119.286 2.1875 702.444  25.755  720.639  35.488  682.195  37.437  120.806 2.9762 117.534 3.2271 3.272064       4.389948  
1 1 1 6   -5  1  o 330.395 4.2029 5393.06  137.061 5468.16  193.896 5318.07  193.770 332.513 5.9078 327.908 5.9869 4.604523       8.411031  
1 1 1 6   -5  2  o 60.751  1.0769 182.153  6.4572  175.181  9.0117  189.510  9.2569  59.575  1.5325 61.963  1.5136 -2.388622      2.153961  
1 1 1 6   -5  3  o 279.432 3.8249 3856.99  105.495 3867.71  142.122 3843.82  157.435 279.719 5.1476 278.800 5.7210 0.9184875      7.695984  
1 1 1 6   -5  4  f 295.780 3.6474 4321.21  106.483 4325.63  157.253 4317.47  144.708 295.784 5.3863 295.546 4.9606 0.2378845      7.322555  
1 1 1 6   -5  5  o 65.348  1.6080 210.786  10.372  210.786  10.372  0.0000   0.0000  65.348  1.6080 ?       ?      0.000000       1.608044  
1 1 1 6   -5  6  o 569.445 7.2700 16063.17 408.620 15812.00 604.832 16274.07 554.230 563.676 10.871 572.294 9.8116 -8.617798      14.64399  
1 1 1 6   -5  7  o 257.776 3.5698 3282.72  90.827  3248.44  122.298 3324.88  135.634 256.317 4.8340 259.266 5.3002 -2.948914      7.173526  
1 1 1 6   -5  8  o 122.358 1.8944 739.129  22.879  753.515  26.701  699.377  44.383  123.536 2.1897 118.960 3.7800 4.575737       4.368420  
1 1 1 6   -5  9  o 124.535 6.3126 770.958  77.341  736.002  109.331 805.973  109.422 121.172 9.2102 126.918 8.7888 -5.745468      12.73070  
1 1 1 6   -5  10 o 117.960 6.2733 692.474  72.779  691.670  102.916 693.278  102.933 117.389 8.9497 117.528 8.9402 -0.1392365     12.65005  
1 1 1 6   -5  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -5  12 o 207.626 7.1327 2146.48  146.173 2222.62  206.841 2070.51  206.598 210.394 9.9602 202.676 10.362 7.718109       14.37281  
1 1 1 6   -5  13 o 47.875  6.2409 115.809  28.790  103.322  40.731  128.276  40.699  44.561  9.5478 49.972  8.5593 -5.410912      12.82275  
1 1 1 6   -5  14 o 56.634  2.3486 158.459  13.129  114.745  44.823  162.561  13.731  46.913  9.9864 57.360  2.4252 -10.44682      10.27662  
1 1 1 6   -5  15 o 107.391 1.7541 569.528  18.594  557.252  31.425  576.142  23.065  106.162 2.9989 107.995 2.1638 -1.832596      3.698035  
1 1 1 6   -5  16 o 124.746 1.6817 768.500  20.706  761.819  29.039  775.410  29.533  124.162 2.3695 125.263 2.3886 -1.101303      3.364526  
1 1 1 6   -5  17 o 109.339 1.5419 590.397  16.641  596.308  23.504  584.456  23.564  109.849 2.1678 108.749 2.1952 1.098984       3.085176  
1 1 1 6   -5  18 o 73.200  1.2899 264.600  9.3197  274.818  14.260  256.982  12.313  74.571  1.9374 72.121  1.7297 2.450371       2.597208  
1 1 1 6   -5  19 o 81.624  1.4049 329.113  11.319  349.293  17.061  313.248  15.128  84.045  2.0567 79.600  1.9254 4.444733       2.817308  
1 1 1 6   -5  20 o 70.627  1.5946 246.517  11.116  235.311  14.044  265.318  18.191  68.971  2.0629 73.196  2.5178 -4.224495      3.255045  
1 1 1 6   -5  21 o 127.151 2.0361 799.894  25.553  851.191  32.175  712.272  42.051  131.084 2.4868 119.677 3.5599 11.40710       4.342440  
1 1 1 6   -4  0  o 196.594 2.9108 1908.41  56.484  1886.76  79.923  1930.01  79.837  195.424 4.1434 197.654 4.0923 -2.229752      5.823637  
1 1 1 6   -4  1  o 101.501 1.4611 508.506  14.638  522.580  19.323  489.555  22.423  102.891 1.9027 99.582  2.2813 3.309013       2.970618  
1 1 1 6   -4  2  o 87.565  1.5150 378.461  13.094  389.760  18.222  366.397  18.829  88.857  2.0776 86.151  2.2143 2.705841       3.036337  
1 1 1 6   -4  3  o 297.697 3.6741 4377.23  107.959 4221.72  145.394 4568.32  161.176 292.259 5.0402 303.988 5.3717 -11.72928      7.366030  
1 1 1 6   -4  4  o 164.153 2.0838 1330.19  33.763  1344.69  47.149  1314.92  48.372  165.026 2.8946 163.186 3.0031 1.839874       4.171014  
1 1 1 6   -4  5  o 205.724 2.7570 2089.64  55.984  2046.06  79.081  2133.42  79.264  203.519 3.9367 207.821 3.8641 -4.302734      5.516301  
1 1 1 6   -4  6  f 365.388 5.5302 6601.75  199.448 6501.96  219.712 7069.15  475.488 362.534 6.1400 376.508 12.795 -13.97452      14.19174  
1 1 1 6   -4  7  o 263.635 3.6667 3433.28  95.413  3284.61  142.417 3554.34  128.520 257.707 5.5989 268.150 4.8558 -10.44348      7.411222  
1 1 1 6   -4  8  o 302.650 3.7643 4525.48  112.449 4519.07  152.874 4533.04  165.988 302.292 5.1236 302.705 5.5555 -0.4125366     7.557436  
1 1 1 6   -4  9  o 273.597 3.2332 3697.97  87.314  3678.80  123.461 3717.15  123.500 272.747 4.5860 274.168 4.5637 -1.420868      6.469842  
1 1 1 6   -4  10 o 138.183 3.0625 943.407  41.769  773.436  118.118 967.699  44.655  124.125 9.7187 139.942 3.2328 -15.81691      10.24225  
1 1 1 6   -4  11 o 242.346 7.5434 2922.09  180.441 2965.54  255.226 2878.67  255.137 243.176 10.633 239.530 10.791 3.645554       15.15007  
1 1 1 6   -4  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -4  13 o 126.214 6.4790 793.972  80.441  785.096  113.772 802.844  113.751 124.857 9.2985 126.297 9.1879 -1.439690      13.07205  
1 1 1 6   -4  14 o 65.401  6.1444 214.391  39.199  226.953  54.930  201.356  55.956  66.852  8.5180 62.727  9.3210 4.124947       12.62692  
1 1 1 6   -4  15 o 63.614  1.1654 199.768  7.3172  188.057  10.214  212.115  10.488  61.713  1.6768 65.543  1.6212 -3.829849      2.332333  
1 1 1 6   -4  16 o 70.849  1.7609 247.887  12.314  0.0000   0.0000  247.887  12.314  ?       ?      70.849  1.7609 0.000000       1.760858  
1 1 1 6   -4  17 o 73.236  1.3015 264.809  9.4084  271.566  13.620  258.642  13.012  74.149  1.8610 72.364  1.8217 1.784637       2.604206  
1 1 1 6   -4  18 o 87.590  1.3991 378.858  12.096  382.802  17.798  375.474  16.489  88.015  2.0488 87.176  1.9163 0.8395233      2.805257  
1 1 1 6   -4  19 o 96.899  1.4721 463.783  14.080  486.923  20.611  443.536  19.279  99.242  2.1041 94.721  2.0621 4.521317       2.946096  
1 1 1 6   -4  20 o 112.983 1.7369 630.932  19.370  636.330  28.088  626.037  26.746  113.372 2.5101 112.465 2.4094 0.9067535      3.479348  
1 1 1 6   -4  21 o 26.970  2.0602 36.191   5.4429  35.324   7.8971  36.975   7.5121  26.509  3.0753 27.165  2.8439 -0.6556721     4.188692  
1 1 1 6   -4  22 o 76.340  1.7225 288.162  12.979  272.416  22.447  296.070  15.908  74.071  3.0702 77.346  2.0837 -3.275146      3.710552  
1 1 1 6   -3  0  f 340.886 5.1937 5744.60  174.749 5761.70  271.474 5732.50  228.349 340.985 8.0660 340.321 6.7979 0.6636963      10.54860  
1 1 1 6   -3  1  f 209.954 2.9177 2176.65  60.465  2246.79  89.583  2117.95  81.946  213.246 4.2561 207.054 4.0097 6.191345       5.847385  
1 1 1 6   -3  2  f 118.322 1.5842 691.036  18.502  687.882  26.142  694.202  26.189  118.042 2.2437 118.583 2.2375 -0.5411682     3.168661  
1 1 1 6   -3  3  o 33.745  0.8578 56.202   2.8570  60.209   3.9617  51.859   4.1241  34.927  1.1492 32.415  1.2890 2.512577       1.726892  
1 1 1 6   -3  4  o 219.024 2.9143 2368.67  63.002  2386.06  82.000  2343.62  98.431  219.789 3.7798 217.783 4.5790 2.006042       5.937552  
1 1 1 6   -3  5  o 259.826 3.2914 3333.80  84.411  3312.69  114.267 3359.16  125.236 258.933 4.4709 260.715 4.8667 -1.781860      6.608598  
1 1 1 6   -3  6  o 255.030 3.3740 3212.01  84.932  3206.28  119.951 3217.77  120.274 254.717 4.7711 255.172 4.7753 -0.4557190     6.750313  
1 1 1 6   -3  7  o 341.034 4.2562 5746.33  143.269 5834.33  191.981 5635.72  215.231 343.486 5.6626 337.487 6.4612 5.998871       8.591407  
1 1 1 6   -3  8  o 134.883 2.0289 898.134  27.012  899.917  38.262  896.362  38.140  134.999 2.8715 134.732 2.8680 0.2668304      4.058420  
1 1 1 6   -3  9  o 243.704 2.9218 2933.06  70.284  2897.23  99.336  2968.97  99.456  242.128 4.1565 245.111 4.1109 -2.983032      5.846002  
1 1 1 6   -3  10 o 155.351 2.0778 1191.56  31.860  1116.92  47.222  1253.92  43.164  150.364 3.1818 159.339 2.7445 -8.975311      4.201916  
1 1 1 6   -3  11 o 157.881 6.5712 1236.66  102.401 1220.60  144.814 1252.71  144.820 156.141 9.4408 158.218 9.3145 -2.076996      13.26231  
1 1 1 6   -3  12 o 150.217 6.5173 1120.57  96.632  1159.92  136.728 1081.29  136.590 152.111 9.1493 146.762 9.4798 5.349335       13.17480  
1 1 1 6   -3  13 o 260.316 11.139 3413.14  286.219 3447.67  404.948 3378.67  404.601 258.481 15.950 255.762 16.110 2.718613       22.66989  
1 1 1 6   -3  14 o 42.564  6.4518 92.058   26.256  98.862   36.936  85.110   37.330  43.691  8.8679 40.414  9.5157 3.277542       13.00723  
1 1 1 6   -3  15 o 77.284  1.2739 294.858  9.7179  321.371  14.310  272.165  13.239  80.672  1.7971 74.239  1.8067 6.432541       2.548299  
1 1 1 6   -3  16 o 98.623  1.4231 480.215  13.853  474.779  19.486  485.771  19.699  98.044  2.0136 99.172  2.0125 -1.128433      2.846832  
1 1 1 6   -3  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   -3  18 o 150.617 2.0093 1120.74  29.871  1083.90  42.335  1157.27  42.153  148.037 2.8973 152.977 2.7917 -4.940536      4.023445  
1 1 1 6   -3  19 o 35.957  1.6524 63.865   5.8645  78.807   9.3521  54.182   7.5286  39.851  2.3886 33.023  2.3246 6.828400       3.333034  
1 1 1 6   -3  20 o 133.746 1.8530 884.137  24.462  851.228  34.758  916.434  34.433  131.125 2.6856 136.073 2.5637 -4.948654      3.712815  
1 1 1 6   -3  21 o 115.020 1.7144 653.920  19.463  665.024  28.222  643.848  26.878  115.897 2.4671 114.048 2.3877 1.848557       3.433299  
1 1 1 6   -3  22 o 71.619  1.4854 253.463  10.500  237.930  15.221  267.567  14.504  69.334  2.2242 73.546  1.9980 -4.211876      2.989838  
1 1 1 6   -2  0  o 287.366 4.2325 4080.34  120.051 4069.52  169.799 4091.15  169.758 286.810 5.9980 287.573 5.9806 -0.7633057     8.470201  
1 1 1 6   -2  1  o 400.432 5.8450 7932.22  231.018 7968.33  326.685 7896.10  326.734 400.867 8.2565 399.038 8.2956 1.829865       11.70411  
1 1 1 6   -2  2  o 318.112 5.3397 5004.07  167.660 4913.07  237.107 5095.06  237.107 314.883 7.6289 320.685 7.4909 -5.802124      10.69174  
1 1 1 6   -2  3  o 135.878 2.2477 911.483  30.145  917.736  44.072  905.985  41.323  136.318 3.2755 135.448 3.0909 0.8703308      4.503616  
1 1 1 6   -2  4  o 177.774 2.3270 1560.22  40.831  1526.88  63.066  1584.28  53.576  175.822 3.6340 179.119 3.0303 -3.296356      4.731703  
1 1 1 6   -2  5  o 292.226 4.0658 4218.53  117.272 4225.97  175.281 4212.50  157.790 292.309 6.0752 291.901 5.4766 0.4072571      8.179309  
1 1 1 6   -2  6  o 235.375 3.9464 2736.59  91.685  2647.51  129.662 2825.68  129.663 231.402 5.6769 239.076 5.4947 -7.673431      7.900583  
1 1 1 6   -2  7  o 154.734 3.1638 1182.30  48.321  1421.98  143.375 1151.59  51.323  169.161 8.6155 152.704 3.4051 16.45683       9.263973  
1 1 1 6   -2  8  o 322.110 4.0341 5125.68  128.257 5158.40  172.226 5084.93  192.175 323.007 5.4020 320.622 6.0725 2.385193       8.127563  
1 1 1 6   -2  9  o 201.851 2.6816 2011.77  53.428  1999.93  75.525  2023.63  75.591  201.206 3.8029 202.396 3.7839 -1.189743      5.364675  
1 1 1 6   -2  10 o 370.274 4.7899 6778.98  175.057 6671.36  242.553 6895.97  252.907 366.996 6.6960 373.087 6.8678 -6.091370      9.591784  
1 1 1 6   -2  11 o 72.137  1.2990 256.860  9.2489  259.434  11.280  251.580  16.157  72.495  1.5764 71.379  2.2932 1.115982       2.782810  
1 1 1 6   -2  12 o 94.394  6.1483 443.722  56.972  425.426  80.425  462.151  80.715  91.946  8.9764 95.938  8.6156 -3.991333      12.44204  
1 1 1 6   -2  13 o 138.946 6.4215 958.784  88.067  990.146  124.556 927.432  124.535 140.492 9.0299 135.873 9.3427 4.618866       12.99327  
1 1 1 6   -2  14 o 162.338 6.6258 1310.26  106.168 1287.68  150.113 1332.87  150.176 160.029 9.5470 162.873 9.3812 -2.844604      13.38479  
1 1 1 6   -2  15 o 146.997 1.8914 1067.08  27.443  1079.59  38.840  1054.61  38.779  147.809 2.6622 146.088 2.6894 1.721909       3.784218  
1 1 1 6   -2  16 o 152.360 2.2878 1146.76  34.406  1103.36  57.969  1170.36  42.749  149.305 3.9336 153.881 2.8146 -4.575638      4.836811  
1 1 1 6   -2  17 o 155.075 2.1265 1187.92  32.549  1173.87  44.283  1204.43  48.005  154.093 2.9115 156.067 3.1163 -1.973328      4.264817  
1 1 1 6   -2  18 o 131.448 2.4588 853.922  31.902  861.045  33.194  767.695  115.492 131.988 2.5479 123.070 9.5830 8.918106       9.915982  
1 1 1 6   -2  19 o 12.112  3.6908 7.2868   4.8109  7.3928   6.5473  7.1623   7.0927  12.737  4.3437 12.831  4.5139 -0.9366131E-01 6.264383  
1 1 1 6   -2  20 o 68.652  1.3961 232.773  9.4606  256.049  13.988  213.151  12.843  71.977  1.9690 65.671  1.9814 6.306267       2.793361  
1 1 1 6   -2  21 o 68.913  1.4763 234.617  10.042  226.809  15.075  240.844  13.463  67.709  2.2557 69.794  1.9544 -2.084808      2.984608  
1 1 1 6   -2  22 o 23.568  2.7223 27.886   6.2163  21.138   8.8982  34.319   8.6879  20.187  4.5719 26.060  3.4633 -5.873669      5.735595  
1 1 1 6   -2  23 o 59.597  1.6318 175.579  9.5988  194.874  14.261  159.598  12.979  62.734  2.3032 56.772  2.3161 5.962196       3.266346  
1 1 1 6   -1  0  o 248.127 3.3176 3040.81  81.251  2977.23  114.850 3104.52  114.962 245.420 4.7412 250.619 4.6474 -5.199371      6.639056  
1 1 1 6   -1  1  o 87.878  1.3212 381.168  11.460  401.720  15.176  353.892  17.483  90.212  1.7043 84.667  2.0920 5.544914       2.698352  
1 1 1 6   -1  2  o 147.481 2.3212 1073.88  33.790  1034.66  47.785  1113.09  47.787  144.732 3.3450 150.122 3.2250 -5.389481      4.646464  
1 1 1 6   -1  3  o 252.697 3.0239 3153.50  75.422  3142.30  106.645 3164.70  106.680 252.163 4.2848 253.061 4.2710 -0.8980713     6.049816  
1 1 1 6   -1  4  o 211.235 3.1093 2203.55  64.829  2122.23  91.541  2285.38  91.823  207.226 4.4754 215.054 4.3258 -7.827682      6.224339  
1 1 1 6   -1  5  o 199.058 2.6945 1956.40  52.941  1858.30  82.298  2025.65  69.147  193.935 4.2993 202.520 3.4592 -8.585159      5.518144  
1 1 1 6   -1  6  o 288.683 3.9845 4116.69  113.534 4266.76  171.251 3998.99  151.653 293.736 5.9067 284.417 5.4021 9.319183       8.004460  
1 1 1 6   -1  7  o 313.928 3.9265 4867.91  121.667 4946.56  182.139 4804.54  163.493 316.288 5.8343 311.765 5.3130 4.522156       7.890921  
1 1 1 6   -1  8  o 161.048 3.0503 1280.72  48.487  0.0000   0.0000  1280.72  48.487  ?       ?      161.048 3.0503 0.000000       3.050272  
1 1 1 6   -1  9  o 199.367 2.6501 1962.54  52.150  1895.01  73.674  2030.36  73.829  195.857 3.8110 202.737 3.6894 -6.880402      5.304326  
1 1 1 6   -1  10 o 89.750  1.3255 397.579  11.742  379.261  16.520  416.280  16.693  87.652  1.9095 91.831  1.8416 -4.179054      2.652895  
1 1 1 6   -1  11 o 145.975 1.9464 1051.98  28.044  1045.29  39.216  1058.98  40.120  145.487 2.7309 146.435 2.7758 -0.9483032     3.893916  
1 1 1 6   -1  12 o 186.937 9.8097 1747.74  180.371 1747.74  180.371 0.0000   0.0000  186.937 9.8097 ?       ?      0.000000       9.809719  
1 1 1 6   -1  13 f 167.958 9.5531 1414.09  157.718 1414.09  157.718 0.0000   0.0000  167.958 9.5531 ?       ?      0.000000       9.553146  
1 1 1 6   -1  14 o 215.251 5.8012 2298.96  123.253 0.0000   0.0000  2298.96  123.253 ?       ?      215.251 5.8012 0.000000       5.801199  
1 1 1 6   -1  15 o 96.700  1.4575 461.652  13.911  472.579  20.015  451.441  19.348  97.819  2.0730 95.607  2.0503 2.211922       2.915633  
1 1 1 6   -1  16 o 124.489 1.7236 765.252  21.179  731.441  29.530  801.064  30.391  121.674 2.4589 127.336 2.4181 -5.661591      3.448625  
1 1 1 6   -1  17 o 27.562  2.0733 37.733   5.5990  21.149   8.5636  50.116   7.3997  20.273  4.4054 31.760  2.3777 -11.48710      5.006094  
1 1 1 6   -1  18 o 111.748 1.6817 616.662  18.549  660.580  26.736  575.902  25.757  115.626 2.3426 107.957 2.4172 7.669067       3.366096  
1 1 1 6   -1  19 o 98.767  1.5256 481.705  14.873  510.397  21.397  454.887  20.687  101.637 2.1329 95.948  2.1843 5.688782       3.052975  
1 1 1 6   -1  20 o 54.957  1.4726 149.160  7.9881  160.434  11.998  140.183  10.706  56.974  2.1335 53.260  2.0365 3.713451       2.949459  
1 1 1 6   -1  21 o 62.357  1.4701 192.079  9.0481  181.080  13.572  200.876  12.139  60.507  2.2726 63.748  1.9292 -3.241337      2.981031  
1 1 1 6   -1  22 o 38.759  1.7974 74.265   6.8760  82.159   11.234  69.535   8.6952  40.620  2.8193 37.407  2.3672 3.213345       3.681331  
1 1 1 6   -1  23 o 101.570 1.8810 510.191  18.858  519.130  32.913  505.822  23.010  102.245 3.2613 101.082 2.3062 1.163239       3.994323  
1 1 1 6   0   0  o 194.222 2.7211 1862.65  52.165  1866.91  69.827  1857.26  78.471  194.403 3.6391 193.875 4.1007 0.5281677      5.482551  
1 1 1 6   0   1  o 118.324 1.4281 691.061  16.679  712.439  23.626  669.822  23.549  120.131 1.9925 116.481 2.0482 3.649506       2.857494  
1 1 1 6   0   2  o 105.110 1.4668 545.343  15.218  547.496  21.603  543.222  21.439  105.308 2.0784 104.896 2.0707 0.4117203      2.933859  
1 1 1 6   0   3  o 467.893 5.9215 10835.55 273.472 10684.32 386.767 10986.75 386.729 463.925 8.4464 470.483 8.3278 -6.558258      11.86141  
1 1 1 6   0   4  o 102.106 1.4582 514.602  14.696  517.340  20.712  511.826  20.854  102.369 2.0498 101.822 2.0750 0.5473404      2.916750  
1 1 1 6   0   5  o 240.797 3.3534 2863.80  79.703  2877.82  119.203 2852.46  107.185 241.271 5.0055 240.245 4.5201 1.026978       6.744369  
1 1 1 6   0   6  o 166.433 2.3724 1367.52  38.972  1388.71  55.103  1346.31  55.126  167.690 3.3292 165.108 3.3827 2.581390       4.746129  
1 1 1 6   0   7  o 295.066 3.6075 4299.97  105.064 4134.31  152.248 4450.58  145.171 289.198 5.3336 300.094 4.9011 -10.89569      7.243467  
1 1 1 6   0   8  o 84.522  1.1987 352.596  10.001  359.499  13.597  344.460  14.761  85.342  1.6141 83.537  1.7902 1.805565       2.410437  
1 1 1 6   0   9  f 50.829  8.7848 131.716  42.479  0.0000   0.0000  131.716  42.479  ?       ?      50.829  8.7848 0.000000       8.784818  
1 1 1 6   0   10 o 196.955 2.6294 1915.27  51.117  1962.09  72.364  1868.65  72.216  199.305 3.6785 194.497 3.7617 4.807541       5.261379  
1 1 1 6   0   11 o 241.627 3.0676 2883.40  73.161  2874.35  108.113 2891.04  99.371  241.145 4.5422 241.874 4.1623 -0.7294922     6.160894  
1 1 1 6   0   12 o 215.926 14.681 2359.30  311.024 0.0000   0.0000  2359.30  311.024 ?       ?      215.926 14.681 0.000000       14.68053  
1 1 1 6   0   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   0   14 o 273.571 3.8603 3701.75  104.237 3703.85  155.686 3700.05  140.334 273.274 5.7719 273.261 5.2030 0.1351929E-01  7.770830  
1 1 1 6   0   15 o 179.953 2.5781 1599.95  45.791  1570.93  61.851  1635.15  68.120  178.228 3.5159 181.803 3.7961 -3.575073      5.174169  
1 1 1 6   0   16 o 270.560 3.5257 3620.72  94.156  3562.94  130.041 3684.39  136.507 268.113 4.9139 272.606 5.0733 -4.492889      7.062907  
1 1 1 6   0   17 f 66.769  1.3262 220.090  8.7404  225.560  12.575  214.978  12.157  67.582  1.8851 65.978  1.8668 1.604012       2.653035  
1 1 1 6   0   18 o 108.296 1.5996 579.103  17.099  602.432  24.019  555.131  24.347  110.430 2.2036 106.000 2.3271 4.430008       3.204855  
1 1 1 6   0   19 o 129.932 1.8602 833.845  23.857  814.909  33.014  854.542  34.514  128.399 2.6050 131.480 2.6595 -3.080872      3.722759  
1 1 1 6   0   20 o 107.785 1.9075 573.946  20.293  589.005  34.366  565.883  25.145  109.088 3.1917 106.994 2.3810 2.093735       3.981935  
1 1 1 6   0   21 o 87.670  1.5386 379.658  13.314  415.112  19.164  346.582  18.510  91.636  2.1188 83.723  2.2399 7.913170       3.083240  
1 1 1 6   0   22 o 55.665  1.5855 153.111  8.7115  149.584  13.164  155.859  11.620  54.975  2.4260 56.137  2.0971 -1.161510      3.206770  
1 1 1 6   0   23 o 30.295  2.7693 45.864   8.1894  46.367   10.396  45.041   13.294  30.344  3.5375 29.678  4.6942 0.6660194      5.877901  
1 1 1 6   0   24 o 75.965  9.4354 304.742  69.223  304.742  69.223  0.0000   0.0000  75.965  9.4354 ?       ?      0.000000       9.435424  
1 1 1 6   1   0  o 170.719 2.0713 1438.79  34.903  1399.10  49.301  1478.68  49.421  168.321 2.9674 173.044 2.8935 -4.723145      4.144623  
1 1 1 6   1   1  o 158.367 2.2875 1238.27  35.757  1244.63  53.953  1233.29  47.750  158.731 3.4437 158.022 3.0614 0.7094574      4.607743  
1 1 1 6   1   2  o 262.574 3.3843 3406.03  87.710  3347.43  124.053 3464.61  124.029 260.167 4.8308 264.691 4.7473 -4.523895      6.773038  
1 1 1 6   1   3  o 107.753 1.4793 573.119  15.733  556.239  22.279  589.911  22.220  106.143 2.1265 109.310 2.0595 -3.166908      2.960353  
1 1 1 6   1   4  o 251.782 3.2695 3131.43  81.252  3209.67  114.902 3053.17  114.914 254.799 4.5688 248.498 4.6851 6.301041       6.543960  
1 1 1 6   1   5  f 228.608 3.0274 2580.95  68.312  2588.87  96.651  2573.04  96.566  228.881 4.2782 228.180 4.2876 0.7014160      6.056942  
1 1 1 6   1   6  o 65.396  1.2883 211.080  8.3158  148.170  15.706  235.585  9.8025  54.700  2.9195 69.086  1.4375 -14.38622      3.254248  
1 1 1 6   1   7  o 157.209 2.0192 1220.01  31.331  1189.90  44.243  1250.29  44.376  155.237 2.8875 159.129 2.8253 -3.892044      4.039774  
1 1 1 6   1   8  o 286.934 3.7617 4066.45  106.536 4082.22  138.498 4043.59  166.730 287.411 4.8821 285.958 5.9072 1.452942       7.663518  
1 1 1 6   1   9  o 170.260 2.1016 1431.00  35.318  1409.98  49.916  1452.07  49.978  168.983 2.9927 171.488 2.9527 -2.504684      4.204116  
1 1 1 6   1   10 o 137.422 2.4276 932.339  32.928  927.922  34.213  987.886  121.315 137.094 2.5283 140.876 8.7680 -3.782745      9.125285  
1 1 1 6   1   11 o 175.726 3.3506 1525.16  58.115  1429.57  82.181  1620.77  82.194  170.055 4.8961 181.088 4.5985 -11.03323      6.716995  
1 1 1 6   1   12 o 180.682 9.6561 1628.52  171.582 0.0000   0.0000  1628.52  171.582 ?       ?      180.682 9.6561 0.000000       9.656052  
1 1 1 6   1   13 o 30.713  8.5811 48.259   27.018  0.0000   0.0000  48.259   27.018  ?       ?      30.713  8.5811 0.000000       8.581097  
1 1 1 6   1   14 o 141.127 2.3125 983.654  32.213  878.513  67.487  1014.68  36.659  133.179 5.1339 143.322 2.5914 -10.14250      5.750860  
1 1 1 6   1   15 o 69.261  1.2667 236.805  8.6598  231.163  12.688  241.725  11.848  68.420  1.8788 69.969  1.7156 -1.549011      2.544269  
1 1 1 6   1   16 f 91.352  1.4276 411.997  12.872  374.045  18.549  447.252  17.878  87.023  2.1595 95.167  1.9033 -8.144234      2.878541  
1 1 1 6   1   17 o 127.029 1.8622 796.867  23.349  787.099  32.682  807.049  33.368  126.207 2.6236 127.796 2.6454 -1.588112      3.725742  
1 1 1 6   1   18 o 116.949 1.7440 675.400  20.132  642.130  28.455  708.745  28.487  113.995 2.5290 119.769 2.4098 -5.774048      3.493212  
1 1 1 6   1   19 o 62.746  1.5137 194.398  9.3746  170.923  13.281  217.709  13.235  58.816  2.2877 66.388  2.0197 -7.571968      3.051645  
1 1 1 6   1   20 o 81.111  2.0179 325.028  16.155  0.0000   0.0000  325.028  16.155  ?       ?      81.111  2.0179 0.000000       2.017923  
1 1 1 6   1   21 o 115.344 1.7865 657.287  20.339  627.670  29.078  685.659  28.460  112.647 2.6152 117.752 2.4487 -5.105171      3.582639  
1 1 1 6   1   22 o 83.140  1.5678 341.503  12.866  334.052  18.439  348.574  17.961  82.179  2.2732 83.954  2.1675 -1.775932      3.140926  
1 1 1 6   1   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   1   24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   2   0  o 175.614 2.1434 1522.50  37.152  1544.67  55.326  1504.29  50.139  176.856 3.1694 174.538 2.9104 2.317780       4.302963  
1 1 1 6   2   1  o 215.054 2.4228 2283.45  51.427  2314.52  72.740  2252.40  72.719  216.465 3.4045 213.538 3.4502 2.927032       4.847066  
1 1 1 6   2   2  o 320.718 4.0848 5083.70  129.309 5140.11  182.859 5027.28  182.881 322.264 5.7487 318.697 5.8138 3.566986       8.176046  
1 1 1 6   2   3  o 201.845 2.4394 2011.76  48.601  1986.22  68.711  2037.32  68.752  200.503 3.4720 203.069 3.4301 -2.565933      4.880590  
1 1 1 6   2   4  o 135.544 1.9094 906.995  25.545  912.756  36.063  901.194  36.189  135.952 2.6875 135.088 2.7141 0.8646393      3.819528  
1 1 1 6   2   5  o 170.623 2.2904 1437.34  38.573  1416.81  54.544  1457.89  54.557  169.364 3.2628 171.804 3.2172 -2.439743      4.582176  
1 1 1 6   2   6  o 190.546 2.4699 1792.62  46.453  1743.77  68.936  1833.25  62.871  187.881 3.7173 192.661 3.3062 -4.779587      4.974861  
1 1 1 6   2   7  o 130.084 1.7439 835.287  22.391  831.968  31.663  838.608  31.669  129.813 2.4712 130.331 2.4618 -0.5172119     3.488169  
1 1 1 6   2   8  o 487.610 6.0375 11758.83 290.579 11813.28 380.797 11682.93 449.603 488.372 7.8997 485.310 9.3859 3.061462       12.26785  
1 1 1 6   2   9  o 278.594 3.3478 3832.87  92.059  3772.40  130.164 3893.39  130.218 276.296 4.7729 280.697 4.7000 -4.401245      6.698570  
1 1 1 6   2   10 o 264.651 3.4808 3459.15  90.925  3426.04  128.537 3492.31  128.637 263.284 4.9462 265.822 4.9028 -2.537872      6.964343  
1 1 1 6   2   11 o 150.819 6.4714 1125.68  96.337  1148.17  135.341 1102.57  137.158 151.851 9.0713 148.747 9.3902 3.104050       13.05619  
1 1 1 6   2   12 o 154.645 6.5199 1184.16  99.520  1149.24  140.688 1219.13  140.797 151.787 9.4372 156.398 9.1607 -4.610870      13.15218  
1 1 1 6   2   13 o 205.351 4.4009 2085.17  89.201  2195.73  204.349 2059.14  99.145  209.909 9.8630 204.016 4.9235 5.892822       11.02360  
1 1 1 6   2   14 o 305.474 3.6552 4613.06  110.211 4635.85  155.966 4590.32  155.757 305.970 5.1644 304.460 5.1830 1.510040       7.316730  
1 1 1 6   2   15 o 169.843 2.2051 1424.70  36.966  1416.03  52.496  1433.22  52.063  169.260 3.1422 170.288 3.0975 -1.027969      4.412257  
1 1 1 6   2   16 o 132.132 1.8625 862.147  24.290  893.737  34.722  831.867  33.994  134.492 2.6156 129.751 2.6543 4.740982       3.726490  
1 1 1 6   2   17 o 127.776 1.8136 806.235  22.873  808.243  32.897  804.356  31.826  127.893 2.6060 127.590 2.5271 0.3031616      3.630089  
1 1 1 6   2   18 o 209.052 2.8011 2160.11  57.798  2186.73  79.987  2131.01  83.610  210.193 3.8554 207.462 4.0831 2.731522       5.615644  
1 1 1 6   2   19 o 94.876  1.5130 444.453  14.169  487.565  21.239  409.885  19.019  99.345  2.1660 91.090  2.1154 8.255005       3.027600  
1 1 1 6   2   20 o 90.521  1.5684 404.629  14.013  421.252  20.903  391.061  18.884  92.330  2.2937 88.967  2.1505 3.363228       3.144182  
1 1 1 6   2   21 o 158.639 9.5742 1280.65  149.212 0.0000   0.0000  1280.65  149.212 ?       ?      158.639 9.5742 0.000000       9.574157  
1 1 1 6   2   22 o 109.315 9.0950 612.965  97.243  0.0000   0.0000  612.965  97.243  ?       ?      109.315 9.0950 0.000000       9.095011  
1 1 1 6   2   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   2   24 o 105.697 1.7642 552.358  18.406  486.783  26.604  612.558  25.490  99.100  2.7198 111.233 2.3217 -12.13327      3.575997  
1 1 1 6   2   25 o 66.959  1.7370 221.721  11.480  215.213  17.824  226.335  15.008  65.868  2.7416 67.605  2.2491 -1.736923      3.546082  
1 1 1 6   3   0  o 100.130 1.1860 494.841  11.722  477.466  16.563  512.273  16.591  98.351  1.7062 101.874 1.6500 -3.522438      2.373513  
1 1 1 6   3   1  o 247.629 2.9830 3028.17  72.910  2917.02  103.071 3139.49  103.150 242.960 4.2980 252.066 4.1459 -9.106033      5.971747  
1 1 1 6   3   2  o 231.731 3.6217 2652.90  82.837  2717.65  109.916 2567.78  126.030 234.455 4.7497 227.819 5.6047 6.635681       7.346581  
1 1 1 6   3   3  o 88.631  1.1993 387.728  10.492  378.314  14.731  397.419  14.946  87.543  1.7049 89.726  1.6876 -2.183533      2.398843  
1 1 1 6   3   4  o 229.932 3.4009 2611.79  77.185  2611.10  109.103 2612.49  109.210 229.786 4.8104 229.847 4.8138 -0.6086731E-01 6.805307  
1 1 1 6   3   5  o 62.457  0.9594 192.529  5.9143  181.727  8.4270  203.014  8.3025  60.677  1.4071 64.133  1.3116 -3.456074      1.923560  
1 1 1 6   3   6  o 117.860 1.9230 685.728  22.370  691.242  31.637  680.213  31.636  118.317 2.7090 117.369 2.7309 0.9481735      3.846588  
1 1 1 6   3   7  f 69.439  1.0551 237.978  7.2317  252.456  9.8890  221.335  10.602  71.518  1.4009 66.963  1.6041 4.554367       2.129724  
1 1 1 6   3   8  o 193.995 2.4398 1857.97  46.718  1833.39  66.058  1882.56  66.081  192.673 3.4735 195.242 3.4290 -2.568573      4.880930  
1 1 1 6   3   9  o 85.776  1.3498 363.143  11.428  379.094  17.007  350.012  15.431  87.634  1.9662 84.207  1.8565 3.427429       2.704172  
1 1 1 6   3   10 f 95.028  1.3796 445.710  12.940  468.878  18.347  422.779  18.253  97.461  1.9072 92.545  1.9982 4.915962       2.762306  
1 1 1 6   3   11 o 198.909 6.9396 1959.02  136.245 1890.66  192.617 2027.47  192.743 194.803 10.052 202.043 9.6650 -7.240112      13.94462  
1 1 1 6   3   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   3   13 o 158.617 2.0082 1242.12  31.441  1214.75  44.545  1269.29  44.384  156.829 2.8777 160.314 2.8049 -3.485443      4.018538  
1 1 1 6   3   14 o 138.303 1.8769 944.375  25.622  880.707  36.245  1007.97  36.223  133.527 2.7501 142.857 2.5689 -9.329773      3.763313  
1 1 1 6   3   15 o 152.469 2.1226 1148.03  31.944  1160.62  43.522  1133.32  47.034  153.261 2.8770 151.430 3.1468 1.831085       4.263757  
1 1 1 6   3   16 o 280.556 3.6329 3893.27  100.603 3854.99  138.817 3935.62  146.003 278.884 5.0430 281.734 5.2504 -2.850372      7.279961  
1 1 1 6   3   17 o 177.870 2.3199 1562.92  40.730  1494.32  57.590  1631.56  57.611  173.829 3.3565 181.652 3.2131 -7.822723      4.646565  
1 1 1 6   3   18 f 121.022 1.7322 723.243  20.691  697.236  29.423  748.688  29.104  118.788 2.5095 123.100 2.3953 -4.311630      3.469118  
1 1 1 6   3   19 o 174.194 2.2806 1499.13  39.212  1494.84  55.715  1503.34  55.198  173.848 3.2469 174.346 3.2076 -0.4981079     4.564080  
1 1 1 6   3   20 o 155.891 2.2232 1200.73  34.208  1178.52  48.691  1222.39  48.070  154.347 3.1961 157.205 3.0980 -2.857986      4.451085  
1 1 1 6   3   21 o 169.719 6.8722 1440.38  115.122 1466.06  162.961 1414.79  162.655 169.842 9.7619 166.755 9.9272 3.087204       13.92277  
1 1 1 6   3   22 o 184.409 6.9723 1708.17  126.909 1727.89  179.585 1688.51  179.369 183.576 9.9482 181.391 10.058 2.184784       14.14659  
1 1 1 6   3   23 o 119.390 1.8023 704.569  21.239  678.867  30.251  729.554  29.825  117.090 2.6175 121.402 2.4890 -4.311775      3.611980  
1 1 1 6   3   24 o 89.780  1.6510 398.426  14.630  440.306  21.641  363.171  19.856  94.307  2.3249 85.646  2.3488 8.660744       3.304802  
1 1 1 6   3   25 o 72.916  1.6864 262.877  12.137  261.456  18.373  263.977  16.167  72.631  2.5628 73.017  2.2432 -0.3856812     3.405901  
1 1 1 6   4   0  o 285.548 5.0027 4029.93  141.000 4225.74  321.103 3983.16  156.939 291.557 11.158 283.833 5.6019 7.723206       12.48532  
1 1 1 6   4   1  o 181.792 2.3276 1631.56  41.766  1547.25  62.095  1701.22  56.440  176.992 3.5544 185.608 3.0808 -8.615875      4.703727  
1 1 1 6   4   2  f 86.055  1.2956 365.518  11.005  376.119  15.538  354.848  15.589  87.289  1.8035 84.784  1.8628 2.504868       2.592799  
1 1 1 6   4   3  o 108.519 1.6262 581.301  17.418  572.416  24.613  590.214  24.653  107.675 2.3159 109.337 2.2844 -1.661743      3.252933  
1 1 1 6   4   4  o 118.378 2.0563 691.812  24.027  677.053  33.979  706.571  33.979  117.088 2.9401 119.615 2.8780 -2.526855      4.114281  
1 1 1 6   4   5  o 23.495  0.5162 27.243   1.1971  24.555   1.6889  29.957   1.6971  22.305  0.7671 24.637  0.6979 -2.331568      1.037066  
1 1 1 6   4   6  o 101.190 1.3709 505.406  13.692  507.258  19.360  503.553  19.367  101.369 1.9349 100.998 1.9427 0.3710251      2.741930  
1 1 1 6   4   7  o 308.156 3.9727 4691.28  120.835 4612.53  170.850 4770.10  170.923 305.396 5.6678 310.579 5.5756 -5.183228      7.950608  
1 1 1 6   4   8  o 173.932 2.5782 1493.61  44.261  1532.94  62.641  1454.40  62.549  176.174 3.6023 171.598 3.6930 4.576065       5.158946  
1 1 1 6   4   9  f 104.726 1.6074 541.350  16.615  564.815  23.705  518.690  23.295  106.964 2.2453 102.503 2.3024 4.461372       3.215966  
1 1 1 6   4   10 o 306.993 4.6849 4657.23  141.959 4689.89  200.921 4624.68  200.600 307.868 6.6119 305.715 6.6478 2.152405       9.376119  
1 1 1 6   4   11 o 139.018 6.3475 956.238  87.098  935.801  123.154 976.688  123.196 137.031 9.1581 140.035 8.9600 -3.003510      12.81218  
1 1 1 6   4   12 o 112.330 6.1876 626.313  68.340  604.761  96.578  647.927  96.718  110.023 8.9714 113.951 8.6641 -3.928329      12.47202  
1 1 1 6   4   13 o 270.890 3.3935 3625.17  90.736  3427.44  133.904 3793.04  123.381 263.226 5.1539 276.984 4.5130 -13.75830      6.850474  
1 1 1 6   4   14 o 143.253 1.8465 1013.16  26.108  1019.85  37.037  1006.54  36.810  143.698 2.6113 142.757 2.6123 0.9409180      3.693641  
1 1 1 6   4   15 o 167.938 2.2394 1392.86  37.121  1406.54  52.588  1379.28  52.407  168.702 3.1582 167.057 3.1783 1.644577       4.480544  
1 1 1 6   4   16 o 99.135  1.5890 485.218  15.549  485.160  22.013  485.276  21.965  99.108  2.2503 99.120  2.2451 -0.1203156E-01 3.178734  
1 1 1 6   4   17 o 186.292 2.5228 1714.74  46.388  1639.95  66.720  1784.72  64.540  182.060 3.7129 189.960 3.4422 -7.899521      5.063005  
1 1 1 6   4   18 f 148.616 1.9720 1090.85  28.927  1037.98  41.064  1142.92  40.756  144.909 2.8710 152.070 2.7153 -7.161789      3.951611  
1 1 1 6   4   19 o 110.964 1.8844 608.119  20.639  584.659  35.272  620.334  25.451  108.721 3.2869 112.053 2.3012 -3.331772      4.012362  
1 1 1 6   4   20 o 176.502 2.3328 1539.37  40.641  1541.63  57.697  1537.15  57.257  176.520 3.3115 176.266 3.2910 0.2537689      4.668694  
1 1 1 6   4   21 o 130.890 6.3859 854.705  82.501  833.284  116.758 876.065  116.591 128.158 9.2933 131.518 9.0363 -3.360184      12.96221  
1 1 1 6   4   22 o 60.563  1.5877 181.171  9.4909  147.606  13.284  216.167  13.565  54.632  2.4635 66.134  2.0780 -11.50130      3.222867  
1 1 1 6   4   23 o 55.079  1.7394 149.925  9.4563  147.542  16.352  151.123  11.591  54.478  3.0533 55.280  2.1243 -0.8022766     3.719610  
1 1 1 6   4   24 o 56.384  1.7655 157.179  9.8258  149.589  14.426  163.747  13.420  54.944  2.6600 57.510  2.3642 -2.565788      3.558808  
1 1 1 6   4   25 o 89.867  1.6836 399.291  14.934  422.040  22.399  381.084  20.038  92.298  2.4587 87.724  2.3142 4.573563       3.376485  
1 1 1 6   5   0  o 215.441 3.1829 2291.97  67.684  2351.64  87.851  2204.82  106.169 218.188 4.0793 211.212 5.0927 6.976013       6.525025  
1 1 1 6   5   1  o 158.268 2.9129 1236.83  45.504  1249.08  142.200 1235.43  48.030  158.440 9.1315 158.174 3.0764 0.2661133      9.635809  
1 1 1 6   5   2  o 244.639 3.2012 2955.55  77.298  2982.58  109.282 2928.48  109.350 245.677 4.5066 243.435 4.5510 2.241745       6.404752  
1 1 1 6   5   3  o 344.830 5.0157 5878.49  170.713 5951.41  241.469 5805.61  241.380 346.669 7.0569 342.383 7.1426 4.286987       10.04074  
1 1 1 6   5   4  o 229.045 3.0241 2590.76  68.368  2564.02  96.672  2617.51  96.703  227.785 4.2997 230.151 4.2569 -2.366745      6.050534  
1 1 1 6   5   5  o 179.787 2.3739 1595.86  42.126  1549.94  62.694  1633.66  56.879  177.136 3.5858 181.876 3.1684 -4.739532      4.785064  
1 1 1 6   5   6  o 156.198 1.9736 1204.40  30.427  1224.23  43.076  1184.66  42.986  157.458 2.7716 154.891 2.8117 2.566971       3.948071  
1 1 1 6   5   7  o 187.418 2.5854 1734.25  47.827  1760.95  67.652  1707.57  67.623  188.816 3.6300 185.930 3.6848 2.886108       5.172463  
1 1 1 6   5   8  o 263.451 3.4850 3427.85  90.622  3408.15  134.653 3444.17  122.523 262.575 5.1955 263.997 4.7020 -1.422668      7.007302  
1 1 1 6   5   9  o 308.927 3.7862 4713.90  115.449 4605.48  170.484 4805.74  156.898 305.194 5.6595 311.814 5.0979 -6.620148      7.616942  
1 1 1 6   5   10 o 48.991  5.9836 120.466  28.333  115.761  40.051  125.180  40.087  47.563  8.8571 49.566  8.4997 -2.002560      12.27574  
1 1 1 6   5   11 o 311.741 8.4726 4818.42  260.703 4768.32  368.681 4868.52  368.699 309.380 12.073 312.645 11.948 -3.264191      16.98569  
1 1 1 6   5   12 o 34.262  2.0829 58.167   7.0107  60.975   9.8372  55.267   9.9940  35.022  2.8709 33.312  3.0742 1.710674       4.206342  
1 1 1 6   5   13 o 265.435 7.0906 3492.05  185.769 0.0000   0.0000  3492.05  185.769 ?       ?      265.435 7.0906 0.000000       7.090572  
1 1 1 6   5   14 o 373.176 4.5622 6888.37  168.042 6778.25  247.514 6982.52  228.873 369.675 6.7834 375.364 6.1774 -5.688782      9.174695  
1 1 1 6   5   15 o 127.117 1.8242 797.833  22.889  818.870  32.414  776.910  32.326  128.754 2.5506 125.410 2.6115 3.344879       3.650349  
1 1 1 6   5   16 o 115.451 1.6851 658.114  19.202  650.263  27.120  666.008  27.192  114.733 2.3948 116.115 2.3726 -1.381721      3.371097  
1 1 1 6   5   17 o 98.992  1.5960 483.846  15.595  496.800  22.985  472.796  21.228  100.282 2.3221 97.834  2.1983 2.447609       3.197619  
1 1 1 6   5   18 o 54.405  1.3740 146.131  7.3782  167.159  12.454  134.759  9.1585  58.172  2.1690 52.239  1.7762 5.933201       2.803496  
1 1 1 6   5   19 o 228.479 2.8546 2580.67  64.377  2732.19  91.421  2431.62  90.669  234.910 3.9428 221.574 4.1458 13.33560       5.721323  
1 1 1 6   5   20 o 180.045 6.9208 1617.23  122.990 1647.90  175.280 1587.48  172.618 180.489 9.8764 177.123 9.9134 3.365891       13.99354  
1 1 1 6   5   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   5   22 f 152.729 2.1579 1152.92  32.531  1080.21  46.078  1225.18  45.934  147.708 3.1605 157.339 2.9577 -9.631134      4.328604  
1 1 1 6   5   23 o 102.998 2.2962 524.724  23.344  604.799  93.316  519.378  24.110  108.616 8.7792 102.463 2.3840 6.153610       9.097159  
1 1 1 6   5   24 f 91.593  1.6790 414.672  15.179  405.790  22.135  422.555  20.855  90.523  2.4774 92.398  2.2868 -1.874214      3.371459  
1 1 1 6   5   25 o 47.793  1.9435 113.000  9.1680  93.741   13.553  129.248  12.448  43.327  3.1917 51.076  2.4692 -7.749283      4.035287  
1 1 1 6   5   26 o 75.038  1.7610 278.518  13.043  274.179  19.342  282.137  17.663  74.347  2.6357 75.455  2.3717 -1.107521      3.545685  
1 1 1 6   6   0  o 348.277 4.5946 5993.42  157.946 5968.76  223.367 6018.08  223.373 347.349 6.5151 348.785 6.4884 -1.435608      9.194889  
1 1 1 6   6   1  o 388.846 5.0152 7472.78  192.485 7400.33  244.260 7591.48  312.663 386.783 6.3981 391.473 8.0917 -4.689911      10.31562  
1 1 1 6   6   2  o 477.416 11.159 11331.28 525.839 11372.15 743.646 11290.40 743.652 476.527 15.810 474.786 15.869 1.741455       22.40053  
1 1 1 6   6   3  f 281.773 3.4213 3921.17  95.154  3919.43  140.769 3922.63  129.120 281.589 5.0648 281.740 4.6432 -0.1505432     6.871006  
1 1 1 6   6   4  o 374.871 4.5291 6944.48  167.581 7134.62  228.116 6721.55  247.000 379.767 6.0856 368.502 6.7909 11.26474       9.118697  
1 1 1 6   6   5  o 192.201 2.5147 1823.88  47.707  1866.50  67.481  1781.28  67.453  194.396 3.5169 189.902 3.5986 4.493317       5.031795  
1 1 1 6   6   6  o 168.837 2.4219 1407.35  40.361  1429.24  50.311  1367.83  67.603  170.128 2.9961 166.390 4.1163 3.737640       5.091215  
1 1 1 6   6   7  o 126.048 1.6854 784.249  20.969  785.609  29.663  782.891  29.645  126.146 2.3824 125.928 2.3850 0.2184753      3.371059  
1 1 1 6   6   8  o 217.686 3.4123 2340.31  73.319  2409.67  128.194 2306.59  89.380  220.735 5.8839 216.074 4.1909 4.661194       7.223824  
1 1 1 6   6   9  o 196.681 3.2686 1910.32  63.455  1869.04  89.678  1951.72  89.799  194.480 4.6717 198.740 4.5778 -4.260025      6.540730  
1 1 1 6   6   10 o 344.269 8.9640 5878.28  304.602 5783.18  430.751 5973.41  430.792 340.596 12.813 346.208 12.607 -5.611908      17.97501  
1 1 1 6   6   11 o 544.006 9.4057 14690.68 505.041 14790.55 939.276 14650.07 598.999 541.954 17.559 542.602 11.184 -0.6478271     20.81840  
1 1 1 6   6   12 o 198.510 2.5406 1945.68  49.780  1948.63  67.567  1942.17  73.620  198.622 3.4465 198.276 3.7618 0.3458710      5.101867  
1 1 1 6   6   13 o 301.985 4.0098 4506.82  119.519 4538.92  169.085 4474.77  168.966 302.853 5.6564 300.700 5.6929 2.153137       8.025217  
1 1 1 6   6   14 o 404.146 9.9832 8148.05  398.237 8099.44  563.282 8196.63  563.103 400.725 14.241 403.178 14.150 -2.452515      20.07574  
1 1 1 6   6   15 o 190.349 2.4574 1789.62  46.170  1806.65  65.389  1772.68  65.199  191.175 3.4653 189.367 3.4882 1.807907       4.916926  
1 1 1 6   6   16 o 91.393  1.7200 412.419  15.516  428.061  26.360  404.127  19.193  93.069  2.8695 90.457  2.1497 2.612396       3.585454  
1 1 1 6   6   17 o 83.676  1.4619 345.687  12.074  350.740  17.478  341.074  16.700  84.268  2.1013 83.101  2.0360 1.167252       2.925880  
1 1 1 6   6   18 o 152.630 2.1602 1150.77  32.544  1140.92  44.542  1162.05  47.664  151.913 2.9706 153.296 3.1501 -1.383270      4.329873  
1 1 1 6   6   19 o 101.339 6.2549 512.906  62.258  547.072  87.558  477.965  88.544  104.138 8.5951 97.094  9.3549 7.044098       12.70398  
1 1 1 6   6   20 o 157.187 6.7326 1232.01  104.456 1279.51  147.939 1184.78  147.507 159.133 9.4613 152.970 9.8214 6.162888       13.63731  
1 1 1 6   6   21 o 169.477 2.3625 1419.55  39.520  1369.76  55.948  1469.13  55.832  166.350 3.4075 172.296 3.2830 -5.946777      4.731707  
1 1 1 6   6   22 o 172.053 2.4280 1463.60  41.233  1429.91  56.529  1501.92  60.276  169.916 3.3706 174.116 3.5073 -4.200241      4.864341  
1 1 1 6   6   23 o 49.271  1.8567 119.978  9.0296  116.790  12.961  122.985  12.587  48.498  2.7185 49.787  2.5702 -1.289234      3.741092  
1 1 1 6   6   24 o 39.083  6.7861 79.307   25.229  90.756   36.203  68.498   35.177  41.222  9.1378 35.750  9.7151 5.471111       13.33726  
1 1 1 6   6   25 o 84.213  1.7650 350.696  14.671  367.526  21.713  336.559  19.901  86.116  2.5545 82.422  2.4462 3.693596       3.536852  
1 1 1 6   6   26 o 53.530  2.0564 141.848  10.865  138.853  16.500  144.140  14.438  52.756  3.1835 53.831  2.7261 -1.074738      4.191215  
1 1 1 6   7   0  o 66.242  0.9161 216.566  5.9896  233.785  8.6171  200.472  8.3312  68.823  1.2685 63.731  1.3244 5.092125       1.833895  
1 1 1 6   7   1  f 169.218 2.2245 1413.58  37.154  1497.78  52.662  1330.13  52.426  174.162 3.0634 164.120 3.2363 10.04199       4.456284  
1 1 1 6   7   2  o 257.429 3.0244 3272.26  76.848  3313.50  108.716 3231.07  108.642 258.979 4.2530 255.734 4.3040 3.244858       6.050843  
1 1 1 6   7   3  o 333.896 8.7781 5527.09  289.297 5570.19  409.139 5483.99  409.115 334.444 12.394 331.823 12.491 2.621368       17.59673  
1 1 1 6   7   4  o 249.913 3.0295 3084.05  74.731  3040.91  105.683 3127.20  105.687 248.088 4.3159 251.587 4.2560 -3.499146      6.061351  
1 1 1 6   7   5  o 232.668 3.0442 2673.17  69.910  2656.18  98.875  2690.15  98.862  231.861 4.3204 233.340 4.2924 -1.479630      6.090240  
1 1 1 6   7   6  o 186.531 2.3387 1717.73  43.059  1761.50  60.959  1674.14  60.830  188.863 3.2701 184.117 3.3472 4.745728       4.679473  
1 1 1 6   7   7  o 106.051 1.7208 555.153  18.012  578.535  24.227  526.255  26.934  108.254 2.2674 103.241 2.6431 5.012840       3.482405  
1 1 1 6   7   8  o 221.099 2.6442 2413.58  57.706  2487.23  81.712  2340.31  81.505  224.402 3.6892 217.668 3.7936 6.733719       5.291666  
1 1 1 6   7   9  o 112.549 6.1531 628.466  68.095  627.705  96.320  629.226  96.283  112.176 8.7690 112.315 8.7543 -0.1388016     12.39090  
1 1 1 6   7   10 o 221.507 7.2214 2429.55  157.886 2390.77  223.242 2468.35  223.327 219.354 10.311 222.908 10.150 -3.553864      14.46877  
1 1 1 6   7   11 o 211.251 2.7025 2203.53  56.350  2237.60  79.766  2169.59  79.616  212.826 3.7972 209.564 3.8490 3.262131       5.406807  
1 1 1 6   7   12 o 103.848 1.7374 532.346  17.808  510.572  25.057  554.568  25.314  101.689 2.4965 105.982 2.4199 -4.292160      3.476803  
1 1 1 6   7   13 o 179.918 2.4442 1598.38  43.406  1671.12  61.573  1526.52  61.199  183.921 3.3918 175.777 3.5273 8.144363       4.893472  
1 1 1 6   7   14 o 148.494 2.2190 1088.82  32.524  1093.07  46.123  1084.62  45.871  148.743 3.1416 148.167 3.1366 0.5757599      4.439306  
1 1 1 6   7   15 o 123.159 2.4694 749.201  30.018  740.389  31.173  861.622  111.341 122.428 2.5796 131.181 8.6476 -8.753098      9.024171  
1 1 1 6   7   16 o 70.748  1.5057 247.110  10.514  253.675  15.105  240.941  14.644  71.668  2.1353 69.846  2.1241 1.821655       3.011917  
1 1 1 6   7   17 o 101.538 1.7660 509.123  17.699  575.873  30.783  476.160  21.632  107.936 2.8894 98.179  2.2323 9.757149       3.651274  
1 1 1 6   7   18 o 70.826  1.6924 247.707  11.831  226.400  14.815  285.223  19.658  67.697  2.2171 75.969  2.6216 -8.272186      3.433393  
1 1 1 6   7   19 o 70.466  6.2487 249.016  43.011  251.632  61.017  246.433  60.637  70.248  9.0075 69.497  9.0548 0.7513657      12.77206  
1 1 1 6   7   20 o 154.779 2.2061 1183.64  33.703  1196.59  46.248  1168.96  49.217  155.548 3.0123 153.716 3.2439 1.832214       4.426815  
1 1 1 6   7   21 o 30.604  2.5379 46.617   7.5971  45.137   10.810  48.062   10.679  29.959  3.7369 30.954  3.5602 -0.9952927     5.161322  
1 1 1 6   7   22 o 32.149  2.9297 51.563   9.1946  46.337   11.347  61.558   15.692  30.328  3.8793 34.897  4.6730 -4.568617      6.073366  
1 1 1 6   7   23 o 134.227 2.0634 890.673  27.337  903.997  38.067  876.485  39.283  135.123 2.8542 133.030 2.9918 2.093185       4.134879  
1 1 1 6   7   24 o 121.770 1.9159 733.192  23.028  734.409  33.089  732.048  32.068  121.746 2.7536 121.564 2.6726 0.1818924      3.837307  
1 1 1 6   7   25 o 63.468  1.8705 199.252  11.718  184.411  17.460  211.414  15.806  60.962  2.9017 65.324  2.4514 -4.361668      3.798632  
1 1 1 6   7   26 o 15.378  5.0162 11.485   8.7483  5.6453   11.853  18.470   12.965  14.240  5.6525 19.211  6.0919 -4.970359      8.310312  
1 1 1 6   8   0  o 308.504 3.6497 4701.43  111.136 4785.32  157.218 4617.64  157.122 311.104 5.1199 305.595 5.2090 5.508972       7.303939  
1 1 1 6   8   1  o 198.895 2.4801 1953.07  48.688  2019.42  68.917  1886.97  68.793  202.208 3.4530 195.460 3.5658 6.748596       4.963638  
1 1 1 6   8   2  f 67.906  0.9868 227.587  6.6142  228.597  9.2355  226.524  9.4768  68.055  1.3749 67.745  1.4173 0.3095245      1.974584  
1 1 1 6   8   3  o 84.068  1.2107 348.819  10.046  334.639  14.208  362.997  14.207  82.337  1.7482 85.756  1.6785 -3.418365      2.423545  
1 1 1 6   8   4  o 216.652 3.6883 2318.36  78.872  2278.18  84.298  2600.68  223.449 214.752 3.9769 228.887 9.8906 -14.13542      10.66023  
1 1 1 6   8   5  o 339.842 3.9771 5705.22  133.406 5826.42  188.715 5584.14  188.615 343.275 5.5697 336.048 5.6865 7.226349       7.959725  
1 1 1 6   8   6  o 228.255 2.6672 2572.37  60.091  2555.72  84.976  2589.02  84.987  227.465 3.7848 228.944 3.7609 -1.478500      5.335643  
1 1 1 6   8   7  o 133.443 1.7456 878.969  22.992  834.602  32.482  923.520  32.550  130.018 2.5311 136.771 2.4111 -6.753235      3.495688  
1 1 1 6   8   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   8   9  o 225.629 7.2601 2520.92  161.686 2497.67  228.631 2544.18  228.686 224.199 10.332 226.291 10.239 -2.091507      14.54546  
1 1 1 6   8   10 o 110.508 1.7047 602.805  18.594  587.056  26.402  618.303  26.191  109.044 2.4530 111.910 2.3711 -2.865891      3.411636  
1 1 1 6   8   11 f 121.715 1.6865 731.265  20.261  696.574  28.736  765.560  28.572  118.780 2.4511 124.525 2.3246 -5.745506      3.378079  
1 1 1 6   8   12 o 177.679 2.4104 1558.74  42.273  1554.55  57.426  1563.69  62.456  177.405 3.2795 177.913 3.5566 -0.5076752     4.837789  
1 1 1 6   8   13 o 85.742  1.6101 362.909  13.627  366.505  19.316  359.346  19.227  86.156  2.2714 85.310  2.2833 0.8457870      3.220718  
1 1 1 6   8   14 o 51.062  1.6100 128.715  8.1142  122.657  11.637  134.447  11.320  49.837  2.3657 52.180  2.1978 -2.342632      3.229119  
1 1 1 6   8   15 o 99.216  1.5958 485.987  15.628  522.170  23.190  455.880  21.153  102.824 2.2849 96.077  2.2306 6.746452       3.193150  
1 1 1 6   8   16 o 58.136  1.3260 166.848  7.6091  146.040  9.8031  198.385  12.069  54.383  1.8263 63.382  1.9291 -8.999168      2.656466  
1 1 1 6   8   17 o 34.615  1.2182 59.152   4.1622  85.538   11.856  55.443   4.4452  41.496  2.9131 33.512  1.3439 7.984524       3.208099  
1 1 1 6   8   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   8   19 o 104.741 2.2074 542.013  22.821  529.688  32.297  554.303  32.251  103.484 3.1619 105.867 3.0864 -2.382813      4.418544  
1 1 1 6   8   20 o 128.870 1.8739 820.292  23.836  839.315  34.326  802.578  33.124  130.299 2.6690 127.419 2.6338 2.880646       3.749696  
1 1 1 6   8   21 o 126.620 1.9565 792.039  24.452  793.562  34.127  790.433  35.053  126.681 2.7293 126.424 2.8091 0.2573853      3.916611  
1 1 1 6   8   22 o 76.051  1.6611 285.681  12.469  293.225  19.336  280.311  16.314  77.004  2.5440 75.309  2.1948 1.695549       3.359921  
1 1 1 6   8   23 o 104.366 1.7550 538.206  18.078  565.231  26.197  513.635  24.980  106.890 2.4831 101.894 2.4837 4.995453       3.512065  
1 1 1 6   8   24 o 49.534  2.0610 121.354  10.077  110.436  14.764  130.876  13.787  47.073  3.1965 51.326  2.7313 -4.252350      4.204508  
1 1 1 6   8   25 o 42.495  1.6725 89.283   7.0152  103.701  19.577  87.159   7.5142  45.341  4.4311 41.979  1.8135 3.361641       4.787811  
1 1 1 6   8   26 o 140.836 7.9024 1026.42  109.408 980.763  132.048 1126.41  195.401 135.876 9.9143 140.523 14.287 -4.646179      17.38969  
1 1 1 6   8   27 o 69.659  1.8130 240.154  12.466  243.984  22.002  238.343  15.128  70.006  3.1841 69.348  2.2101 0.6577148      3.875966  
1 1 1 6   9   0  o 37.807  0.9555 70.546   3.5656  52.195   4.7360  94.560   5.4175  32.518  1.4755 43.770  1.2540 -11.25184      1.936402  
1 1 1 6   9   1  o 244.962 2.9467 2963.22  71.246  2955.82  100.774 2970.61  100.740 244.581 4.1744 245.193 4.1626 -0.6120758     5.895133  
1 1 1 6   9   2  o 185.188 2.3304 1693.12  42.597  1710.46  60.285  1675.83  60.198  186.100 3.2819 184.205 3.3109 1.895004       4.661868  
1 1 1 6   9   3  o 169.100 2.2270 1411.65  37.170  1501.32  52.702  1322.90  52.430  174.363 3.0623 163.668 3.2455 10.69455       4.462155  
1 1 1 6   9   4  o 350.890 4.6391 6084.70  160.672 5939.25  227.203 6230.21  227.246 346.422 6.6447 354.829 6.4885 -8.407013      9.287226  
1 1 1 6   9   5  o 222.053 3.8597 2435.71  84.595  2430.25  87.789  2506.61  316.534 221.796 4.0101 223.452 14.429 -1.656693      14.97561  
1 1 1 6   9   6  o 177.707 2.3539 1559.06  41.289  1617.23  58.472  1501.22  58.311  180.961 3.2736 174.346 3.3885 6.615524       4.711494  
1 1 1 6   9   7  o 229.180 4.3181 2595.24  97.679  2621.68  138.324 2568.94  137.956 230.208 6.0876 227.876 6.1335 2.331436       8.641661  
1 1 1 6   9   8  f 240.974 7.4637 2876.32  177.525 2805.59  251.037 2947.07  251.080 237.534 10.707 243.493 10.447 -5.959579      14.95948  
1 1 1 6   9   9  o 155.418 2.6513 1192.66  40.672  1149.10  57.343  1236.76  57.698  152.515 3.8092 158.230 3.6943 -5.715256      5.306431  
1 1 1 6   9   10 o 115.467 1.6299 658.113  18.577  681.111  26.625  636.297  25.931  117.457 2.2965 113.527 2.3142 3.930161       3.260270  
1 1 1 6   9   11 o 173.326 2.4452 1483.29  41.832  1527.04  59.138  1439.48  59.180  175.825 3.4076 170.705 3.5123 5.119598       4.893689  
1 1 1 6   9   12 o 189.532 2.9907 1774.19  55.948  1811.39  68.173  1697.45  97.915  191.475 3.6072 185.232 5.3555 6.243240       6.456988  
1 1 1 6   9   13 o 180.467 2.5821 1608.39  45.995  1626.48  58.115  1578.08  75.249  181.443 3.2450 178.654 4.2673 2.789230       5.360967  
1 1 1 6   9   14 o 227.803 2.8709 2563.69  64.551  2564.67  91.319  2562.71  91.260  227.730 4.0626 227.644 4.0615 0.8660889E-01  5.744667  
1 1 1 6   9   15 o 156.965 2.5837 1217.15  40.029  1214.75  47.384  1223.16  74.804  156.778 3.0621 157.155 4.8224 -0.3775787     5.712455  
1 1 1 6   9   16 o 224.642 4.7503 2500.55  105.329 2603.30  232.830 2474.11  118.105 227.497 10.369 223.329 5.3578 4.167374       11.67131  
1 1 1 6   9   17 o 148.719 7.5747 1106.99  110.823 1100.47  135.572 1120.12  192.399 147.745 9.3447 147.470 13.363 0.2747192      16.30632  
1 1 1 6   9   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   9   19 o 85.155  1.5345 358.065  12.898  356.558  18.813  359.401  17.717  84.950  2.2437 85.294  2.1045 -0.3440323     3.076197  
1 1 1 6   9   20 o 64.252  1.4751 203.850  9.3547  172.889  14.892  224.033  12.023  59.140  2.5511 67.349  1.8087 -8.208370      3.127176  
1 1 1 6   9   21 o 82.064  1.6617 332.609  13.460  368.819  20.133  303.342  18.100  86.383  2.3613 78.341  2.3408 8.041100       3.324860  
1 1 1 6   9   22 o 22.193  4.5328 25.348   9.5938  11.748   15.305  34.150   12.313  17.582  6.5645 25.769  5.0214 -8.187099      8.264759  
1 1 1 6   9   23 o 63.183  1.5905 197.216  9.9188  220.202  17.656  186.616  11.990  66.702  2.6817 61.445  1.9769 5.257256       3.331639  
1 1 1 6   9   24 o 130.322 2.0259 839.974  26.060  865.564  38.007  817.267  35.801  132.143 2.9140 128.420 2.8244 3.722580       4.058150  
1 1 1 6   9   25 o 66.480  6.4321 226.014  41.679  211.505  58.725  240.740  59.163  62.897  9.7768 67.499  9.1131 -4.601818      13.36544  
1 1 1 6   9   26 o 40.944  7.0879 88.032   27.607  96.387   38.857  79.515   39.231  42.015  9.5821 37.994  10.233 4.020729       14.01864  
1 1 1 6   9   27 o 100.207 2.0161 497.324  19.941  508.613  29.609  487.954  26.976  101.131 2.9663 99.107  2.7577 2.023933       4.050164  
1 1 1 6   10  0  f 190.882 2.3630 1799.16  44.520  1793.86  62.999  1804.44  62.924  190.548 3.3496 191.110 3.3358 -0.5618134     4.727321  
1 1 1 6   10  1  o 91.002  1.2202 408.755  10.960  420.939  15.720  397.230  15.289  92.343  1.7248 89.705  1.7268 2.638199       2.440623  
1 1 1 6   10  2  o 187.232 2.3023 1730.77  42.548  1755.10  60.259  1706.58  60.086  188.507 3.2386 185.881 3.2750 2.625916       4.605896  
1 1 1 6   10  3  o 228.402 2.8204 2576.02  63.583  2554.92  89.937  2597.11  89.902  227.398 4.0070 229.270 3.9727 -1.872330      5.642565  
1 1 1 6   10  4  o 96.838  1.3493 462.859  12.897  459.191  18.299  466.479  18.178  96.447  1.9222 97.210  1.8946 -0.7627411     2.698957  
1 1 1 6   10  5  o 132.566 1.5855 867.443  20.746  880.864  29.514  854.338  29.166  133.576 2.2386 131.549 2.2462 2.026764       3.171262  
1 1 1 6   10  6  o 310.759 3.7339 4770.57  114.530 4823.52  162.020 4717.69  161.921 312.331 5.2556 308.879 5.3111 3.451599       7.471839  
1 1 1 6   10  7  f 96.386  6.0640 461.478  57.397  457.456  81.082  465.519  81.261  95.637  8.6841 96.492  8.6230 -0.8551102     12.23801  
1 1 1 6   10  8  o 86.408  5.9962 371.195  50.824  375.682  71.981  366.735  71.770  86.610  8.5308 85.550  8.6168 1.060486       12.12536  
1 1 1 6   10  9  o 249.408 3.0268 3071.83  74.512  3093.77  105.361 3049.88  105.390 250.220 4.2660 248.437 4.2978 1.783493       6.055599  
1 1 1 6   10  10 o 363.370 4.5754 6526.88  164.100 6498.04  232.059 6555.73  232.085 362.268 6.4898 363.878 6.4619 -1.609650      9.158261  
1 1 1 6   10  11 o 317.060 3.7759 4967.15  118.167 4895.95  167.058 5038.45  167.170 314.586 5.3802 319.142 5.3069 -4.555725      7.557066  
1 1 1 6   10  12 o 369.528 4.3304 6751.10  157.945 6695.81  223.326 6806.44  223.411 367.678 6.1537 370.713 6.1057 -3.035339      8.668776  
1 1 1 6   10  13 o 45.568  0.9847 102.489  4.4289  98.573   6.2691  106.390  6.2577  44.687  1.4213 46.425  1.3656 -1.738358      1.971061  
1 1 1 6   10  14 o 155.038 2.5032 1187.26  38.306  1178.70  54.170  1195.83  54.176  154.411 3.5542 155.531 3.5290 -1.120117      5.008662  
1 1 1 6   10  15 o 90.227  1.5864 401.936  14.128  401.688  20.276  402.171  19.696  90.180  2.2779 90.236  2.2114 -0.5632019E-01 3.174765  
1 1 1 6   10  16 o 144.615 6.4587 1040.29  92.192  1087.52  130.443 993.155  130.314 147.047 9.0310 140.370 9.4608 6.677658       13.07920  
1 1 1 6   10  17 o 166.079 6.6807 1374.14  109.514 1354.47  154.804 1393.84  154.950 163.798 9.6172 166.220 9.4837 -2.422134      13.50669  
1 1 1 6   10  18 o 23.782  1.0797 27.920   2.5346  27.962   2.5536  25.144   20.785  23.800  1.0871 23.105  7.7400 0.6947632      7.815939  
1 1 1 6   10  19 o 107.217 1.7154 567.721  18.154  568.804  25.708  566.645  25.639  107.281 2.4278 107.077 2.4259 0.2036667      3.432085  
1 1 1 6   10  20 o 75.170  1.5380 279.036  11.412  273.235  14.689  287.867  18.123  74.369  2.0011 76.317  2.4059 -1.947800      3.129372  
1 1 1 6   10  21 o 108.798 2.4575 585.174  26.391  586.686  39.168  583.916  35.714  108.827 3.6464 108.604 3.3317 0.2235947      4.939261  
1 1 1 6   10  22 o 89.353  1.7659 394.421  15.574  382.167  23.908  403.453  20.526  87.890  2.7560 90.338  2.3020 -2.448196      3.590912  
1 1 1 6   10  23 o 128.113 1.9936 811.322  25.210  810.092  36.667  812.425  34.718  127.901 2.9045 128.108 2.7456 -0.2073441     3.996801  
1 1 1 6   10  24 o 141.798 6.6185 1015.28  92.632  1041.14  130.782 989.242  131.223 141.702 9.4040 137.898 9.7027 3.803787       13.51213  
1 1 1 6   10  25 o 43.657  7.0372 99.420   29.294  93.597   41.276  105.328  41.581  41.341  10.182 44.003  9.8224 -2.661926      14.14775  
1 1 1 6   10  26 o 91.789  2.0207 417.130  18.307  427.809  28.747  409.845  23.745  92.748  3.1402 90.881  2.6471 1.867554       4.107054  
1 1 1 6   10  27 f 32.026  5.0806 52.961   15.524  46.518   17.258  80.275   35.534  29.711  6.0896 38.124  9.4823 -8.413059      11.26924  
1 1 1 6   11  0  o 230.950 2.8307 2634.98  64.527  2649.76  91.315  2620.23  91.195  231.481 3.9966 230.186 4.0138 1.295441       5.664262  
1 1 1 6   11  1  o 192.062 2.3856 1821.61  45.224  1875.03  64.077  1768.59  63.837  194.800 3.3326 189.183 3.4187 5.616318       4.774240  
1 1 1 6   11  2  o 96.221  1.3271 457.004  12.604  446.021  17.831  467.973  17.818  95.050  1.9006 97.361  1.8542 -2.311821      2.655205  
1 1 1 6   11  3  o 234.192 2.9079 2708.74  67.218  2747.65  95.104  2669.90  95.017  235.785 4.0865 232.420 4.1419 3.364899       5.818474  
1 1 1 6   11  4  o 133.480 1.7158 879.503  22.605  929.953  32.116  829.970  31.823  137.240 2.3709 129.649 2.4868 7.590302       3.435886  
1 1 1 6   11  5  o 200.342 2.4757 1981.79  48.955  1955.03  69.262  2008.51  69.205  198.936 3.5273 201.641 3.4772 -2.705414      4.953054  
1 1 1 6   11  6  o 129.859 6.2876 834.794  80.592  836.763  113.924 832.821  114.026 129.504 8.9676 129.192 8.9982 0.3123474      12.70377  
1 1 1 6   11  7  o 262.918 7.7735 3427.55  201.730 3436.71  285.317 3418.39  285.263 262.651 11.006 261.944 11.033 0.7072754      15.58387  
1 1 1 6   11  8  o 82.229  1.5764 333.765  12.794  337.935  17.874  329.383  18.323  82.734  2.1887 81.679  2.2727 1.054863       3.155288  
1 1 1 6   11  9  o 143.873 2.0321 1021.91  28.857  1019.93  42.732  1023.57  39.127  143.705 3.0126 143.969 2.7534 -0.2644806     4.081326  
1 1 1 6   11  10 o 103.591 1.6357 529.721  16.725  541.827  23.777  517.867  23.529  104.756 2.2996 102.413 2.3277 2.343040       3.272019  
1 1 1 6   11  11 o 66.324  1.5460 217.141  10.121  221.121  14.805  213.650  13.867  66.920  2.2414 65.782  2.1356 1.138817       3.095974  
1 1 1 6   11  12 o 178.962 2.3028 1581.54  40.677  1591.44  57.628  1571.70  57.423  179.469 3.2532 178.352 3.2619 1.117035       4.606919  
1 1 1 6   11  13 o 208.089 3.1007 2139.65  63.686  2149.93  90.237  2129.44  89.894  208.459 4.3856 207.463 4.3899 0.9958191      6.205271  
1 1 1 6   11  14 o 172.310 2.4323 1466.61  41.368  1487.74  58.678  1445.73  58.329  173.470 3.4270 171.000 3.4558 2.469559       4.866975  
1 1 1 6   11  15 f 151.113 3.3869 1129.27  50.517  1135.32  71.177  1123.12  71.710  151.367 4.7641 150.544 4.8260 0.8231049      6.781312  
1 1 1 6   11  16 o 113.183 6.3465 639.360  70.615  604.231  98.875  675.930  100.884 109.330 9.2492 115.775 8.8962 -6.445129      12.83322  
1 1 1 6   11  17 o 142.227 1.9426 999.155  27.271  1027.23  38.626  971.254  38.509  144.153 2.7147 140.164 2.7835 3.988297       3.888115  
1 1 1 6   11  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   11  19 o 172.692 2.3619 1473.87  40.259  1456.98  56.862  1490.85  57.009  171.577 3.3576 173.564 3.3277 -1.987198      4.727308  
1 1 1 6   11  20 o 83.680  1.6008 345.816  13.222  348.268  17.924  342.888  19.584  83.952  2.1630 83.290  2.3822 0.6620407      3.217720  
1 1 1 6   11  21 o 97.627  1.7696 470.813  17.052  487.841  24.096  453.730  24.135  99.334  2.4576 95.792  2.5526 3.542419       3.543382  
1 1 1 6   11  22 o 73.053  1.9202 263.708  13.846  278.131  19.595  249.327  19.566  74.982  2.6477 70.983  2.7927 3.998314       3.848273  
1 1 1 6   11  23 o 153.270 3.2584 1164.56  49.295  1140.85  71.755  1185.74  67.837  151.305 4.8047 154.359 4.4525 -3.053299      6.550502  
1 1 1 6   11  24 o 116.799 6.5149 690.890  74.808  682.188  106.316 699.423  105.280 114.443 9.4977 116.030 9.2701 -1.587013      13.27179  
1 1 1 6   11  25 o 104.640 2.0168 541.929  20.830  507.172  30.020  574.199  28.926  101.051 3.0098 107.583 2.7240 -6.532036      4.059441  
1 1 1 6   11  26 o 92.910  2.0220 427.445  18.543  429.038  25.482  425.652  27.034  92.946  2.7776 92.539  2.9597 0.4067307      4.058912  
1 1 1 6   11  27 o 41.595  3.2099 86.695   13.077  89.737   19.501  84.210   17.627  41.944  4.7967 40.706  4.4603 1.237560       6.549975  
1 1 1 6   12  0  o 117.840 1.7388 685.640  20.225  703.911  25.041  651.359  34.300  119.386 2.1250 114.801 3.0270 4.584770       3.698455  
1 1 1 6   12  1  o 283.534 3.7485 3975.32  104.906 4038.43  148.456 3912.37  148.263 285.501 5.2682 280.993 5.3457 4.507568       7.505323  
1 1 1 6   12  2  o 24.140  1.5408 28.886   3.6522  22.762   4.9454  36.232   5.4166  21.335  2.3894 27.011  2.0469 -5.675245      3.146263  
1 1 1 6   12  3  o 112.956 1.7030 629.894  18.987  642.238  32.066  623.230  23.561  114.024 2.8491 112.347 2.1247 1.677101       3.554130  
1 1 1 6   12  4  o 172.611 2.1962 1471.15  37.418  1454.10  52.903  1488.22  52.931  171.564 3.1241 173.567 3.0897 -2.002792      4.393834  
1 1 1 6   12  5  o 45.211  6.1593 103.102  26.771  102.084  37.839  104.122  37.880  44.531  8.9197 44.994  8.8447 -0.4635353     12.56146  
1 1 1 6   12  6  o 105.934 6.1513 557.643  64.041  527.205  90.499  588.174  90.637  102.577 9.0304 108.471 8.5346 -5.893356      12.42532  
1 1 1 6   12  7  o 81.679  1.8752 329.360  15.118  359.955  68.263  327.782  15.503  84.738  8.2669 81.483  1.9276 3.255592       8.488623  
1 1 1 6   12  8  o 160.747 2.1457 1275.79  34.044  1288.72  45.973  1260.10  50.657  161.531 2.8835 159.712 3.2134 1.818893       4.317458  
1 1 1 6   12  9  o 173.986 2.2566 1494.70  38.753  1524.29  54.862  1465.22  54.748  175.658 3.1642 172.218 3.2208 3.440384       4.515050  
1 1 1 6   12  10 o 255.019 3.3455 3213.39  84.211  3237.22  119.174 3189.63  119.011 255.813 4.7198 253.922 4.7485 1.890793       6.695135  
1 1 1 6   12  11 o 86.099  1.5607 365.950  13.263  362.444  18.780  369.439  18.734  85.673  2.2208 86.496  2.1943 -0.8233795     3.122024  
1 1 1 6   12  12 f 56.683  1.3029 158.598  7.2892  149.716  10.155  168.038  10.469  55.066  1.8684 58.339  1.8181 -3.272930      2.606984  
1 1 1 6   12  13 o 161.845 2.2589 1293.70  36.085  1290.81  50.933  1296.62  51.132  161.602 3.1932 161.965 3.1984 -0.3625488     4.519551  
1 1 1 6   12  14 o 124.748 2.0884 768.602  25.715  756.978  31.593  791.421  44.265  123.777 2.5859 126.497 3.5452 -2.720306      4.388113  
1 1 1 6   12  15 f 22.138  6.6027 24.676   15.519  21.653   21.717  27.830   22.184  22.306  7.8929 24.172  7.9930 -1.865801      11.23327  
1 1 1 6   12  16 o 209.468 2.7075 2168.92  55.979  2140.66  79.003  2197.40  79.330  207.928 3.8494 210.672 3.8150 -2.743713      5.419649  
1 1 1 6   12  17 o 184.689 2.5197 1685.93  45.933  1657.83  64.748  1714.41  65.173  183.001 3.5846 186.104 3.5479 -3.102158      5.043533  
1 1 1 6   12  18 o 64.149  1.5784 203.217  9.9940  190.820  16.497  210.405  12.561  62.125  2.6904 65.263  1.9500 -3.138401      3.322751  
1 1 1 6   12  19 o 61.499  2.5932 186.988  15.741  178.888  16.277  304.024  61.870  60.146  2.7417 77.382  8.2265 -17.23640      8.671393  
1 1 1 6   12  20 o 82.444  1.6490 335.703  13.418  316.074  20.018  351.718  18.082  79.955  2.5366 84.363  2.1715 -4.408501      3.339137  
1 1 1 6   12  21 o 172.673 2.4414 1474.24  41.610  1479.52  58.820  1468.94  58.872  172.822 3.4482 172.200 3.4637 0.6215668      4.887471  
1 1 1 6   12  22 o 25.411  4.1804 32.898   10.120  33.148   14.362  32.651   14.264  25.263  5.8712 25.072  5.8678 0.1910553      8.300740  
1 1 1 6   12  23 o 131.066 6.7169 867.026  86.603  880.352  122.144 853.555  122.809 130.619 9.5400 128.478 9.7572 2.140625       13.64600  
1 1 1 6   12  24 o 110.171 2.1041 600.548  22.881  591.616  31.672  610.299  33.091  109.217 2.9381 110.912 3.0228 -1.695030      4.215355  
1 1 1 6   12  25 o 145.620 2.3222 1050.69  33.377  1061.32  47.143  1040.01  47.263  146.069 3.2698 144.580 3.3119 1.488480       4.654074  
1 1 1 6   12  26 o 104.098 2.4718 537.606  25.397  551.406  32.418  515.677  40.866  105.262 3.1202 101.496 4.0793 3.765991       5.135755  
1 1 1 6   12  27 o 29.918  1.7839 44.466   5.2439  43.686   5.5263  51.517   16.617  29.640  1.8989 31.416  5.5623 -1.775263      5.877526  
1 1 1 6   13  0  o 112.245 1.4823 622.036  16.422  591.784  23.299  651.905  23.151  109.457 2.1565 114.887 2.0415 -5.430740      2.969600  
1 1 1 6   13  1  o 85.410  1.1880 360.107  10.015  347.606  14.109  372.804  14.219  83.904  1.7037 86.893  1.6579 -2.989105      2.377221  
1 1 1 6   13  2  o 117.812 1.5962 685.265  18.562  677.287  26.310  693.170  26.191  117.099 2.2763 118.466 2.2399 -1.366623      3.193546  
1 1 1 6   13  3  o 113.781 1.6050 639.154  18.025  601.241  25.434  677.412  25.549  110.331 2.3355 117.117 2.2102 -6.785484      3.215510  
1 1 1 6   13  4  o 199.471 6.9647 1976.57  137.125 1911.85  193.828 2041.42  194.020 195.228 10.093 202.090 9.7267 -6.862183      14.01718  
1 1 1 6   13  5  o 104.498 6.1681 543.385  63.338  524.471  89.682  562.208  89.466  102.182 8.9832 105.888 8.6352 -3.706429      12.46053  
1 1 1 6   13  6  o 198.106 2.4899 1938.33  48.687  1898.23  71.936  1972.23  66.137  195.955 3.7192 199.769 3.3542 -3.814438      5.008317  
1 1 1 6   13  7  o 138.657 1.7902 949.190  24.500  976.059  34.630  922.263  34.667  140.580 2.4957 136.648 2.5703 3.932114       3.582560  
1 1 1 6   13  8  o 109.793 6.1824 599.536  66.727  589.372  94.365  609.700  94.367  108.409 8.8973 110.305 8.7390 -1.896332      12.47121  
1 1 1 6   13  9  o 217.309 2.9076 2333.03  62.365  2292.24  88.183  2373.84  88.211  215.284 4.1499 219.090 4.0791 -3.806213      5.819044  
1 1 1 6   13  10 o 294.194 3.4690 4278.22  100.732 4291.20  142.421 4265.23  142.492 294.407 4.9011 293.511 4.9185 0.8955383      6.943516  
1 1 1 6   13  11 f 179.100 2.8078 1584.83  49.636  1595.56  70.197  1574.09  70.195  179.605 3.9597 178.390 3.9866 1.215210       5.618916  
1 1 1 6   13  12 o 61.256  1.6433 185.261  9.9356  177.008  13.779  194.199  14.340  59.863  2.3319 62.703  2.3170 -2.839882      3.287327  
1 1 1 6   13  13 o 206.180 2.8518 2100.96  58.036  2084.05  81.883  2118.03  82.271  205.199 4.0428 206.868 4.0292 -1.668106      5.707777  
1 1 1 6   13  14 o 137.611 6.4157 942.175  87.142  976.995  123.240 907.358  123.235 139.308 9.0111 134.123 9.3677 5.185028       12.99823  
1 1 1 6   13  15 f 164.470 2.2466 1336.47  36.471  1332.05  51.451  1340.93  51.705  164.107 3.1764 164.652 3.1815 -0.5452728     4.495712  
1 1 1 6   13  16 o 75.909  1.6188 284.556  12.129  262.837  16.817  308.101  17.509  72.930  2.3362 78.965  2.2465 -6.034317      3.241022  
1 1 1 6   13  17 o 131.546 2.0484 854.907  26.597  866.895  37.703  843.032  37.525  132.395 2.8852 130.558 2.9120 1.837494       4.099245  
1 1 1 6   13  18 f 136.971 2.1900 927.085  29.608  915.546  41.254  939.341  42.517  136.031 3.0725 137.781 3.1263 -1.750229      4.383438  
1 1 1 6   13  19 o 56.337  1.2908 156.707  7.1774  151.330  10.204  161.971  10.097  55.347  1.8679 57.263  1.7865 -1.915207      2.584699  
1 1 1 6   13  20 o 77.834  1.8485 299.289  14.201  284.873  19.553  315.382  20.659  75.897  2.6101 79.857  2.6210 -3.960098      3.698954  
1 1 1 6   13  21 o 17.084  2.0237 14.625   3.3461  12.644   12.335  14.782   3.4764  16.942  5.9531 17.167  2.0951 -0.2256012     6.310973  
1 1 1 6   13  22 f 93.472  7.3583 442.812  67.339  456.291  115.810 435.927  82.770  92.411  13.061 92.054  9.2340 0.3568726      15.99512  
1 1 1 6   13  23 o 61.449  1.8321 186.656  11.112  188.903  13.300  181.459  20.224  61.797  2.1804 60.373  3.4078 1.423916       4.045627  
1 1 1 6   13  24 o 99.200  2.1078 486.988  20.638  482.909  29.345  490.981  29.031  98.643  3.0140 99.474  2.9568 -0.8314514     4.222188  
1 1 1 6   13  25 o 84.909  1.9544 356.875  16.379  337.601  31.616  363.946  19.149  82.218  3.8959 85.702  2.2638 -3.484016      4.505871  
1 1 1 6   13  26 o 22.795  6.1566 27.424   14.178  29.650   20.077  25.210   20.025  23.950  7.5793 22.561  7.5969 1.388853       10.73120  
1 1 1 6   13  27 o 22.005  5.5876 25.586   12.158  38.231   16.687  11.277   17.751  26.768  6.4021 17.945  6.9787 8.822580       9.470388  
1 1 1 6   14  0  o 123.980 1.6321 759.004  19.973  781.432  28.315  736.794  28.177  125.765 2.2810 122.117 2.3377 3.648140       3.266116  
1 1 1 6   14  1  f 78.462  1.1151 303.900  8.6361  307.096  12.254  300.747  12.173  78.864  1.5742 78.044  1.5802 0.8196793      2.230553  
1 1 1 6   14  2  o 45.977  1.2798 104.357  5.8081  84.181   8.3694  123.099  8.0666  41.284  2.0539 49.930  1.6368 -8.646641      2.626353  
1 1 1 6   14  3  o 173.127 6.7299 1491.53  115.003 1453.30  162.591 1529.80  162.687 169.866 9.7381 174.381 9.4876 -4.514603      13.59577  
1 1 1 6   14  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   14  5  o 145.813 2.0104 1049.98  28.934  1054.28  40.928  1045.70  40.910  146.062 2.8389 145.466 2.8493 0.5961914      4.022153  
1 1 1 6   14  6  o 288.794 3.5851 4124.42  102.193 4251.71  138.816 3973.81  150.998 292.980 4.8003 283.106 5.4037 9.874481       7.227886  
1 1 1 6   14  7  o 190.726 2.4360 1796.89  45.858  1790.79  64.765  1803.03  64.942  190.314 3.4477 190.964 3.4454 -0.6497498     4.874198  
1 1 1 6   14  8  o 170.850 2.2308 1441.68  37.620  1488.54  53.145  1394.63  53.260  173.542 3.1026 167.970 3.2125 5.572433       4.466114  
1 1 1 6   14  9  o 178.971 6.7725 1592.26  119.637 1558.65  169.202 1625.86  169.181 176.129 9.7713 179.965 9.5585 -3.836441      13.66904  
1 1 1 6   14  10 o 144.856 2.1259 1036.33  30.396  1005.00  41.192  1073.79  45.037  142.601 2.9266 147.389 3.0958 -4.787430      4.260137  
1 1 1 6   14  11 o 113.470 1.7409 635.772  19.498  610.891  27.290  661.718  27.868  111.197 2.4864 115.733 2.4396 -4.535835      3.483387  
1 1 1 6   14  12 o 88.512  1.5523 386.815  13.561  397.031  18.859  375.874  19.516  89.655  2.1311 87.228  2.2667 2.426422       3.111210  
1 1 1 6   14  13 o 280.775 8.1028 3943.51  224.557 3954.42  317.604 3932.60  317.540 279.255 11.523 278.464 11.553 0.7909546      16.31695  
1 1 1 6   14  14 o 140.234 3.1054 972.642  42.984  967.363  60.772  977.926  60.805  139.698 4.4073 140.462 4.3858 -0.7636414     6.217694  
1 1 1 6   14  15 f 63.241  1.6648 197.513  10.392  197.917  14.389  197.073  15.024  63.286  2.3035 63.147  2.4104 0.1389732      3.334126  
1 1 1 6   14  16 o 37.950  1.2955 71.109   4.8528  73.106   6.7967  69.032   6.9310  38.472  1.7899 37.335  1.8869 1.136639       2.600773  
1 1 1 6   14  17 f 143.387 2.1484 1015.94  30.406  985.769  42.703  1046.97  43.306  141.150 3.0651 145.472 3.0160 -4.321716      4.300131  
1 1 1 6   14  18 o 88.164  1.6075 383.888  13.988  365.605  19.874  401.838  19.692  86.003  2.3412 90.171  2.2126 -4.168602      3.221273  
1 1 1 6   14  19 f 68.700  1.8499 233.167  12.544  222.869  17.469  244.130  18.025  67.130  2.6365 70.261  2.5991 -3.131134      3.702204  
1 1 1 6   14  20 o 21.743  1.6179 23.481   3.4473  19.900   23.805  23.558   3.4840  22.244  8.2100 21.778  1.6327 0.4663391      8.370782  
1 1 1 6   14  21 o 59.697  6.5736 180.695  38.092  220.630  54.028  141.223  53.713  65.483  8.5642 51.500  10.906 13.98252       13.86690  
1 1 1 6   14  22 o 57.681  1.6372 164.388  9.3211  162.083  13.074  166.770  13.293  57.243  2.3139 58.065  2.3195 -0.8214111     3.276265  
1 1 1 6   14  23 o 106.928 2.0048 565.471  21.159  566.276  28.440  564.472  31.664  106.913 2.6951 106.693 3.0068 0.2203369      4.037830  
1 1 1 6   14  24 o 101.000 2.0288 504.837  20.225  513.320  28.689  496.455  28.517  101.707 2.8578 100.017 2.8886 1.690720       4.063428  
1 1 1 6   14  25 o 106.760 2.4504 565.369  25.822  556.456  45.294  569.660  31.430  105.340 4.3563 107.036 2.9749 -1.696388      5.275168  
1 1 1 6   14  26 o 69.016  2.6303 236.653  17.918  225.805  25.523  247.194  25.160  67.048  3.8732 70.231  3.6420 -3.183304      5.316542  
1 1 1 6   14  27 o 82.088  2.4066 334.656  19.499  322.895  27.423  346.684  27.732  80.366  3.4571 83.299  3.3729 -2.933563      4.829914  
1 1 1 6   15  0  o 104.993 1.4223 544.278  14.740  519.616  20.835  568.986  20.855  102.561 2.0582 107.327 1.9687 -4.766068      2.848126  
1 1 1 6   15  1  o 80.885  1.3571 323.008  10.834  241.641  18.489  365.564  13.371  69.918  2.6790 86.042  1.5744 -16.12424      3.107416  
1 1 1 6   15  2  o 131.206 1.9967 850.334  25.858  819.290  44.656  865.994  31.716  128.671 3.5162 132.381 2.4273 -3.710373      4.272616  
1 1 1 6   15  3  o 214.631 7.2107 2298.97  152.757 2291.92  216.036 2306.02  216.026 213.089 10.271 213.758 10.239 -0.6695862     14.50299  
1 1 1 6   15  4  o 40.508  1.7494 81.035   6.9947  87.985   10.065  74.542   9.7281  42.127  2.4308 38.753  2.5576 3.374031       3.528486  
1 1 1 6   15  5  o 101.457 1.5497 508.255  15.519  491.797  21.808  525.137  22.087  99.776  2.2145 103.104 2.1704 -3.328583      3.100687  
1 1 1 6   15  6  o 250.866 3.0804 3111.75  76.276  3167.78  110.184 3060.19  105.696 252.864 4.4147 248.556 4.3083 4.308441       6.168493  
1 1 1 6   15  7  o 197.661 2.6675 1930.84  52.043  1908.48  73.484  1953.34  73.717  196.374 3.7912 198.673 3.7592 -2.299164      5.338994  
1 1 1 6   15  8  o 157.467 2.1593 1224.84  33.562  1198.59  47.104  1251.92  47.831  155.699 3.0650 159.127 3.0453 -3.427948      4.320700  
1 1 1 6   15  9  o 77.970  1.4778 300.158  11.373  289.407  15.786  311.758  16.398  76.545  2.0895 79.446  2.0912 -2.900757      2.956148  
1 1 1 6   15  10 o 214.208 3.8984 2271.52  82.424  2215.76  89.092  2602.72  217.135 211.497 4.2678 227.490 9.6701 -15.99309      10.57002  
1 1 1 6   15  11 o 138.524 1.9251 947.758  26.321  921.885  36.898  974.567  37.559  136.565 2.7373 140.415 2.7100 -3.850128      3.851883  
1 1 1 6   15  12 o 69.418  6.2090 241.743  42.094  214.697  59.698  268.486  59.362  64.617  9.6562 72.716  8.4271 -8.098061      12.81629  
1 1 1 6   15  13 o 164.829 2.9219 1343.57  47.538  1375.34  67.445  1312.19  67.014  166.602 4.1015 162.721 4.1724 3.880997       5.850732  
1 1 1 6   15  14 o 113.846 1.9655 640.274  22.087  651.764  31.239  628.789  31.231  114.808 2.7567 112.763 2.8060 2.045616       3.933584  
1 1 1 6   15  15 o 168.560 2.4569 1404.47  40.876  1395.79  57.894  1413.10  57.721  167.899 3.4934 168.943 3.4615 -1.043320      4.917903  
1 1 1 6   15  16 o 168.184 2.4533 1398.31  40.726  1406.61  57.531  1389.97  57.659  168.542 3.4583 167.537 3.4868 1.004639       4.910938  
1 1 1 6   15  17 o 65.294  1.9074 210.630  12.293  209.799  17.345  211.469  17.425  65.131  2.6981 65.389  2.6997 -0.2586288     3.816826  
1 1 1 6   15  18 o 106.082 1.9123 556.009  20.023  539.924  27.320  574.677  29.432  104.483 2.6491 107.782 2.7666 -3.299606      3.830351  
1 1 1 6   15  19 o 58.001  1.6746 166.178  9.5869  162.774  11.707  173.108  16.705  57.390  2.0666 59.146  2.8615 -1.755688      3.529737  
1 1 1 6   15  20 o 164.712 7.8098 1368.16  126.969 1378.02  155.370 1348.32  220.301 164.141 9.6321 159.173 14.170 4.968567       17.13411  
1 1 1 6   15  21 o 187.227 4.4652 1743.80  82.517  1947.98  193.353 1698.33  91.243  194.500 10.106 184.581 5.0082 9.919601       11.27923  
1 1 1 6   15  22 o 53.139  1.8711 139.586  9.8141  130.148  10.972  177.342  21.946  51.296  2.1671 59.632  3.7476 -8.335850      4.329083  
1 1 1 6   15  23 o 62.277  1.9883 191.853  12.222  210.110  21.061  182.583  15.007  64.959  3.2956 60.713  2.5043 4.246635       4.139136  
1 1 1 6   15  24 o 57.624  2.1274 164.430  12.100  154.688  26.286  167.049  13.630  55.297  4.8656 58.057  2.3786 -2.760174      5.415827  
1 1 1 6   15  25 o 72.265  1.5067 258.266  10.747  254.797  15.170  261.761  15.226  71.701  2.1436 72.677  2.1225 -0.9762497     3.016622  
1 1 1 6   15  26 o 41.880  1.7833 86.848   7.3716  89.136   22.947  86.584   7.7842  41.433  5.7674 41.809  1.8863 -0.3752594     6.068075  
1 1 1 6   15  27 o 73.550  6.5967 282.488  47.381  275.618  66.499  289.572  67.527  70.391  9.8402 72.274  9.7117 -1.882462      13.82558  
1 1 1 6   16  0  o 35.112  1.9315 61.085   6.6684  61.085   6.6684  0.0000   0.0000  35.112  1.9315 ?       ?      0.000000       1.931536  
1 1 1 6   16  1  f 63.138  1.2939 196.816  8.0637  191.627  12.078  200.988  10.831  62.283  1.9646 63.794  1.7202 -1.510143      2.611274  
1 1 1 6   16  2  o 39.329  6.6898 79.243   25.039  76.346   35.502  82.111   35.321  38.182  9.4671 39.616  9.2079 -1.434502      13.20648  
1 1 1 6   16  3  o 54.970  1.5262 149.207  8.2805  138.360  12.027  158.982  11.417  52.915  2.3028 56.729  2.0390 -3.814278      3.075809  
1 1 1 6   16  4  o 69.529  1.4541 238.698  9.9788  241.112  13.859  236.098  14.380  69.863  2.0098 69.130  2.1074 0.7335052      2.912119  
1 1 1 6   16  5  o 148.460 1.9988 1088.76  29.289  1040.36  41.111  1138.66  41.738  145.050 2.8715 151.756 2.7865 -6.706482      4.001228  
1 1 1 6   16  6  o 97.757  1.5962 471.912  15.402  452.186  21.192  493.996  22.423  95.664  2.2443 99.988  2.2721 -4.323387      3.193620  
1 1 1 6   16  7  o 160.842 2.2377 1278.23  35.525  1273.99  48.385  1283.19  52.327  160.493 3.0544 161.044 3.2919 -0.5505676     4.490642  
1 1 1 6   16  8  o 158.947 2.2042 1248.25  34.581  1247.65  47.177  1248.94  50.839  158.831 3.0093 158.885 3.2417 -0.5505371E-01 4.423201  
1 1 1 6   16  9  o 93.997  1.6000 436.313  14.844  434.542  20.803  438.150  21.189  93.779  2.2475 94.166  2.2797 -0.3868637     3.201270  
1 1 1 6   16  10 o 155.970 2.1788 1201.95  33.543  1170.36  47.382  1233.68  47.492  153.814 3.1209 157.929 3.0467 -4.114944      4.361471  
1 1 1 6   16  11 o 256.116 7.7734 3286.22  196.509 3236.21  277.859 3336.27  277.951 252.171 11.163 256.157 10.993 -3.986206      15.66766  
1 1 1 6   16  12 o 253.974 3.4617 3193.25  86.779  3186.20  122.755 3200.29  122.693 253.295 4.9100 253.859 4.8966 -0.5638885     6.934312  
1 1 1 6   16  13 o 194.096 2.6566 1862.79  50.895  1868.46  69.522  1856.22  74.709  194.232 3.6263 193.538 3.9109 0.6931610      5.333403  
1 1 1 6   16  14 o 46.887  1.4298 108.557  6.6172  117.815  9.3244  99.164   9.3921  48.834  1.9345 44.797  2.1241 4.036674       2.873005  
1 1 1 6   16  15 o 106.564 1.8439 560.992  19.394  562.519  27.456  559.472  27.399  106.656 2.6081 106.367 2.6097 0.2893372      3.689543  
1 1 1 6   16  16 o 29.923  1.2442 44.211   3.6749  31.609   5.1693  57.087   5.2253  25.204  2.0970 33.998  1.5571 -8.794043      2.611873  
1 1 1 6   16  17 o 37.663  2.9259 70.615   10.791  59.977   14.588  83.475   16.038  34.483  4.3851 40.825  4.0328 -6.341743      5.957532  
1 1 1 6   16  18 o 32.322  3.0477 52.176   9.6085  53.225   13.035  50.928   14.219  32.485  4.1608 31.672  4.6904 0.8134747      6.269988  
1 1 1 6   16  19 o 97.615  6.2844 478.850  60.228  458.461  84.986  499.422  85.367  94.534  9.2256 98.850  8.8429 -4.315956      12.77923  
1 1 1 6   16  20 o 126.070 6.4598 799.301  80.113  786.420  113.104 812.269  113.490 123.808 9.3238 125.900 9.1963 -2.092583      13.09601  
1 1 1 6   16  21 o 130.908 2.1372 847.471  27.615  829.277  38.747  866.251  39.366  129.361 3.0346 132.216 3.0165 -2.855682      4.278811  
1 1 1 6   16  22 o 68.158  3.4431 231.296  23.088  231.296  23.088  0.0000   0.0000  68.158  3.4431 ?       ?      0.000000       3.443083  
1 1 1 6   16  23 f 55.019  2.6461 150.091  14.370  147.174  20.099  153.142  20.553  54.223  3.7790 55.315  3.7873 -1.091919      5.350194  
1 1 1 6   16  24 o 47.500  1.3536 111.520  6.3462  107.995  10.393  113.616  8.0138  46.679  2.2557 47.923  1.6942 -1.243835      2.821058  
1 1 1 6   16  25 o 39.450  1.4499 76.972   5.6459  72.562   7.9606  81.435   8.0086  38.199  2.1196 40.539  2.0015 -2.339554      2.915265  
1 1 1 6   16  26 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   16  27 o 52.539  2.2209 137.090  11.517  165.080  51.331  135.606  11.818  53.893  10.019 52.243  2.2919 1.649254       10.27733  
1 1 1 6   17  0  o 87.995  1.3539 382.334  11.759  396.075  17.136  370.104  16.166  89.538  1.9390 86.554  1.8923 2.983047       2.709319  
1 1 1 6   17  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   17  2  o 167.855 3.7624 1395.74  62.335  1404.28  67.945  1350.37  156.675 168.309 4.0899 163.078 9.7787 5.231003       10.59952  
1 1 1 6   17  3  o 44.798  1.7590 99.124   7.7779  94.636   11.154  103.371  10.852  43.674  2.5992 45.668  2.4160 -1.993633      3.548634  
1 1 1 6   17  4  o 63.003  1.5806 196.027  9.8295  186.371  14.571  204.089  13.315  61.406  2.4041 64.270  2.0990 -2.864136      3.191503  
1 1 1 6   17  5  o 73.663  1.4742 267.946  10.719  274.007  14.751  261.165  15.602  74.473  2.0067 72.701  2.1743 1.772736       2.958790  
1 1 1 6   17  6  o 112.792 1.9505 628.482  21.715  599.060  26.225  692.646  38.728  110.091 2.4134 118.298 3.3168 -8.207138      4.101910  
1 1 1 6   17  7  o 94.216  1.5986 438.379  14.866  411.745  20.494  467.953  21.596  91.278  2.2747 97.310  2.2484 -6.032516      3.198415  
1 1 1 6   17  8  o 22.342  1.7520 24.807   3.8326  24.462   3.9412  30.796   16.435  22.180  1.8162 24.439  6.6405 -2.258913      6.884360  
1 1 1 6   17  9  o 101.951 1.9137 513.476  19.257  513.857  33.402  513.286  23.568  101.888 3.3214 101.908 2.3431 -0.1956940E-01 4.064689  
1 1 1 6   17  10 o 74.386  6.2400 277.883  45.392  280.637  64.641  275.203  63.757  74.072  9.0282 73.352  8.9946 0.7206268      12.74404  
1 1 1 6   17  11 o 89.725  1.6558 397.619  14.664  385.310  20.638  410.170  20.840  88.290  2.3682 91.097  2.3177 -2.806793      3.313645  
1 1 1 6   17  12 o 128.635 2.6714 818.313  33.918  809.094  35.497  915.091  115.006 127.895 2.8119 134.438 8.7139 -6.543648      9.156339  
1 1 1 6   17  13 o 60.580  1.1989 181.194  7.1687  167.740  10.132  194.684  10.145  58.273  1.7615 62.783  1.6371 -4.509865      2.404741  
1 1 1 6   17  14 o 52.170  1.1639 134.380  5.9933  133.798  8.4718  134.963  8.4799  52.047  1.6491 52.273  1.6436 -0.2261047     2.328275  
1 1 1 6   17  15 o 111.607 1.8176 615.381  20.022  606.632  28.146  624.343  28.488  110.752 2.5748 112.357 2.5688 -1.605675      3.637054  
1 1 1 6   17  16 o 180.970 2.5562 1619.81  45.660  1580.91  64.362  1659.22  64.786  178.583 3.6514 182.966 3.5874 -4.383514      5.118785  
1 1 1 6   17  17 o 49.909  1.4235 123.020  7.0124  124.808  9.8973  121.218  9.9370  50.254  1.9953 49.524  2.0328 0.7293663      2.848470  
1 1 1 6   17  18 o 159.253 6.7707 1272.97  106.428 1285.38  151.578 1260.92  149.468 158.345 9.7457 156.852 9.7020 1.493118       13.75160  
1 1 1 6   17  19 f 71.972  6.3566 261.712  44.693  270.966  63.300  252.514  63.111  72.408  9.0549 69.740  9.4084 2.667976       13.05790  
1 1 1 6   17  20 o 95.380  2.0349 449.799  19.157  443.705  27.266  455.741  26.922  94.640  2.9189 95.924  2.8434 -1.284248      4.074927  
1 1 1 6   17  21 o 91.552  1.7379 414.295  15.705  433.698  22.200  394.857  22.220  93.605  2.4028 89.302  2.5208 4.303139       3.482536  
1 1 1 6   17  22 o 36.180  4.1283 66.102   14.478  69.479   20.498  62.741   20.453  36.706  5.8545 34.758  6.1884 1.947979       8.518894  
1 1 1 6   17  23 o 28.949  5.0235 43.302   13.833  47.224   16.491  33.988   25.411  30.082  5.7640 25.915  8.5540 4.166130       10.31478  
1 1 1 6   17  24 o 72.529  1.9309 260.538  13.823  259.606  21.266  261.219  18.189  72.222  2.9832 72.530  2.5408 -0.3081055     3.918567  
1 1 1 6   17  25 o 28.371  8.0691 43.863   23.670  41.793   32.231  46.286   34.874  28.215  9.6375 29.474  10.025 -1.258955      13.90614  
1 1 1 6   17  26 f 36.692  7.8983 73.810   27.758  0.0000   0.0000  73.810   27.758  ?       ?      36.692  7.8983 0.000000       7.898283  
1 1 1 6   17  27 o 28.515  5.0324 42.661   13.646  39.218   18.968  46.354   19.647  26.772  7.0724 29.135  6.9327 -2.362400      9.903549  
1 1 1 6   18  0  o 80.169  6.2766 323.350  49.270  332.815  69.931  314.022  69.427  80.569  8.9446 78.161  9.1737 2.408257       12.81263  
1 1 1 6   18  1  o 125.731 6.3970 792.299  79.126  785.402  111.902 799.196  111.899 124.177 9.1952 125.304 9.1098 -1.126785      12.94373  
1 1 1 6   18  2  o 28.241  3.1725 39.975   8.6903  42.431   10.460  34.504   15.615  29.023  3.7381 25.782  6.2101 3.241697       7.248353  
1 1 1 6   18  3  o 68.827  1.5723 233.956  10.681  225.053  16.325  240.619  14.124  67.469  2.4514 69.782  2.0505 -2.312828      3.195967  
1 1 1 6   18  4  o 153.469 2.0620 1163.81  31.235  1164.33  44.111  1163.28  44.236  153.408 2.9131 153.338 2.9228 0.7012939E-01  4.126628  
1 1 1 6   18  5  o 147.199 2.0312 1070.62  29.511  1051.87  41.541  1089.73  41.932  145.816 2.8863 148.420 2.8623 -2.604187      4.064938  
1 1 1 6   18  6  o 168.417 2.2586 1401.92  37.545  1392.15  52.964  1411.78  53.230  167.705 3.1997 168.884 3.1932 -1.179260      4.520481  
1 1 1 6   18  7  o 102.991 1.7145 523.932  17.429  535.713  24.495  511.852  24.805  104.101 2.3840 101.749 2.4699 2.350952       3.432709  
1 1 1 6   18  8  o 118.792 2.6002 697.823  30.488  743.476  43.067  651.957  43.167  122.509 3.5615 114.690 3.8132 7.819099       5.217771  
1 1 1 6   18  9  o 26.166  7.2860 35.333   19.512  40.242   28.122  30.775   27.096  28.375  8.9691 25.736  8.8356 2.639822       12.59019  
1 1 1 6   18  10 o 32.408  1.3330 51.860   4.2639  54.073   4.6065  38.622   11.267  33.091  1.4104 27.578  4.2777 5.512438       4.504239  
1 1 1 6   18  11 o 70.022  1.6812 242.192  11.620  246.781  16.058  237.147  16.836  70.655  2.3025 69.254  2.4630 1.401115       3.371623  
1 1 1 6   18  12 o 125.672 2.0418 780.476  25.326  751.605  35.607  810.039  36.031  123.239 2.9272 127.949 2.8530 -4.709709      4.087577  
1 1 1 6   18  13 o 162.147 2.3732 1299.94  37.981  1271.57  53.532  1328.71  53.897  160.214 3.3852 163.783 3.3340 -3.569519      4.751305  
1 1 1 6   18  14 o 75.380  1.6179 280.671  12.038  283.945  16.895  277.296  17.156  75.786  2.2586 74.890  2.3209 0.8961334      3.238514  
1 1 1 6   18  15 o 96.428  1.8274 459.430  17.393  439.872  24.339  479.839  24.864  94.295  2.6151 98.491  2.5576 -4.195816      3.657889  
1 1 1 6   18  16 o 117.597 3.0366 684.816  35.247  707.392  37.810  535.034  97.388  119.497 3.2056 101.910 9.8028 17.58704       10.31361  
1 1 1 6   18  17 o 206.938 7.2060 2156.22  147.187 2200.62  208.370 2112.00  207.939 207.008 10.198 202.372 10.446 4.636261       14.59832  
1 1 1 6   18  18 o 90.941  6.3569 416.964  56.702  418.314  80.100  415.609  80.277  90.094  9.1338 89.778  9.1887 0.3163300      12.95600  
1 1 1 6   18  19 o 45.061  3.0939 101.114  13.677  102.827  18.105  98.836   20.874  45.292  4.0942 44.256  4.8586 1.035812       6.353601  
1 1 1 6   18  20 o 113.921 2.1152 641.957  23.784  651.847  33.038  631.317  34.268  114.676 2.9188 112.828 3.0771 1.847748       4.241193  
1 1 1 6   18  21 o 60.467  1.9285 180.850  11.510  170.033  26.630  183.336  12.764  58.134  4.6806 60.867  2.1246 -2.733292      5.140251  
1 1 1 6   18  22 o 140.658 2.7776 981.918  38.562  1055.14  64.408  941.003  48.145  145.150 4.4956 137.452 3.5487 7.697418       5.727449  
1 1 1 6   18  23 o 60.455  2.5056 181.389  14.951  177.568  21.285  185.111  21.006  59.522  3.6405 60.809  3.5148 -1.286957      5.060324  
1 1 1 6   18  24 o 48.811  7.3619 126.752  34.366  146.598  48.163  106.169  49.050  51.197  9.8891 42.655  11.422 8.541668       15.10826  
1 1 1 6   18  25 f 89.065  6.6432 414.731  57.981  425.440  81.279  403.635  82.736  87.697  9.5440 84.901  10.069 2.795204       13.87357  
1 1 1 6   18  26 o 18.690  6.1472 17.613   13.128  12.173   17.778  24.135   19.468  18.050  6.9938 21.881  7.4899 -3.830858      10.24755  
1 1 1 6   19  0  o 221.161 7.4016 2473.52  161.573 2460.16  228.570 2486.86  228.428 217.790 10.633 219.036 10.566 -1.245590      14.98975  
1 1 1 6   19  1  o 88.612  1.6014 387.908  14.006  399.587  18.094  370.445  22.125  89.907  2.0389 86.523  2.5907 3.384537       3.296785  
1 1 1 6   19  2  o 39.234  1.8959 76.068   7.3419  70.553   10.466  81.411   10.302  37.649  2.8373 40.483  2.5918 -2.834522      3.842859  
1 1 1 6   19  3  o 35.413  2.1455 62.217   7.4641  58.885   10.964  65.096   10.190  34.324  3.2759 36.152  2.8796 -1.828613      4.361601  
1 1 1 6   19  4  f 53.539  1.7444 141.609  9.2182  143.902  13.743  139.733  12.429  53.938  2.5813 53.160  2.3687 0.7777672      3.503447  
1 1 1 6   19  5  o 49.413  1.9623 120.653  9.5708  118.195  14.314  122.641  12.871  48.776  2.9876 49.724  2.6318 -0.9485703     3.981492  
1 1 1 6   19  6  o 156.017 2.2469 1203.27  34.600  1185.80  48.916  1220.76  48.949  154.749 3.2025 157.020 3.1583 -2.271393      4.497886  
1 1 1 6   19  7  o 54.962  7.5921 154.584  40.087  138.414  69.432  162.669  49.097  50.561  13.611 55.966  9.2082 -5.405151      16.43320  
1 1 1 6   19  8  o 29.748  7.4881 46.189   21.971  43.343   31.172  48.999   30.972  29.481  9.4563 30.916  9.3522 -1.435528      13.29979  
1 1 1 6   19  9  o 245.458 3.0551 2982.69  74.018  2911.74  104.456 3054.25  104.900 242.128 4.3708 248.013 4.2852 -5.885071      6.120964  
1 1 1 6   19  10 o 73.862  1.6189 269.485  11.802  254.492  16.603  284.802  16.781  71.743  2.3446 75.902  2.2399 -4.158325      3.242549  
1 1 1 6   19  11 o 35.734  1.5841 63.073   5.5871  62.011   6.2745  67.136   12.277  35.382  1.8026 36.650  3.4339 -1.267986      3.878248  
1 1 1 6   19  12 o 49.209  1.9838 119.674  9.6354  117.752  13.350  121.763  13.921  48.700  2.7889 49.517  2.8604 -0.8174171     3.994981  
1 1 1 6   19  13 o 110.246 2.7747 601.523  30.194  0.0000   0.0000  601.523  30.194  ?       ?      110.246 2.7747 0.000000       2.774738  
1 1 1 6   19  14 o 159.336 2.5089 1255.93  39.458  1263.69  55.624  1248.06  55.981  159.641 3.5301 158.641 3.5751 0.9999237      5.024237  
1 1 1 6   19  15 o 12.060  2.2340 7.4218   2.5613  13.901   17.243  7.2756   2.5901  18.806  6.9782 11.931  2.2825 6.875261       7.342013  
1 1 1 6   19  16 o 85.941  6.3773 372.608  53.711  378.616  76.316  366.712  75.607  85.665  9.1679 84.264  9.2422 1.400810       13.01806  
1 1 1 6   19  17 o 94.076  6.3828 446.605  58.918  458.566  83.770  434.897  82.881  94.279  9.1158 91.720  9.2829 2.559250       13.01032  
1 1 1 6   19  18 o 42.633  2.1523 90.128   9.0277  120.051  23.269  84.826   9.7949  48.804  4.8966 41.331  2.4115 7.473583       5.458151  
1 1 1 6   19  19 o 76.861  2.2358 292.329  16.962  284.553  24.381  299.624  23.614  75.718  3.2622 77.722  3.0782 -2.003311      4.485203  
1 1 1 6   19  20 o 70.782  2.2706 248.037  15.863  240.751  22.675  255.022  22.201  69.613  3.3001 71.669  3.1383 -2.056183      4.554069  
1 1 1 6   19  21 o 91.111  2.2051 411.129  19.830  409.623  28.387  412.565  27.714  90.774  3.1683 91.118  3.0815 -0.3432007     4.419713  
1 1 1 6   19  22 o 63.041  2.0185 196.831  12.560  220.924  22.129  185.381  15.255  66.491  3.3829 61.118  2.5288 5.373100       4.223626  
1 1 1 6   19  23 o 62.228  3.8894 194.902  23.770  207.497  33.373  181.933  33.863  63.670  5.3602 59.387  5.8531 4.283253       7.936660  
1 1 1 6   19  24 o 44.563  7.6176 107.344  32.302  129.023  44.898  84.080   46.510  47.671  9.8671 37.733  11.471 9.937519       15.13064  
1 1 1 6   19  25 o 20.164  1.2353 20.182   2.4468  19.578   3.5226  20.746   3.4010  19.790  1.8240 20.392  1.7054 -0.6024208     2.497038  
1 1 1 6   19  26 o 35.104  4.2853 63.354   14.540  67.663   21.435  59.681   19.789  35.509  6.3487 33.343  6.2423 2.166462       8.903456  
1 1 1 6   20  0  o 75.264  1.4707 279.935  10.925  314.020  17.625  258.666  13.923  79.644  2.2421 72.312  1.9507 7.332596       2.971885  
1 1 1 6   20  1  o 99.630  1.8409 490.769  18.103  477.213  23.331  511.278  28.698  98.180  2.4076 101.558 2.8628 -3.378029      3.740638  
1 1 1 6   20  2  o 84.237  1.5376 350.596  12.784  345.652  17.901  355.742  18.264  83.594  2.1695 84.805  2.1820 -1.210175      3.076975  
1 1 1 6   20  3  o 114.399 1.6762 646.666  18.927  618.679  26.842  674.338  26.691  111.820 2.4320 116.756 2.3161 -4.935661      3.358394  
1 1 1 6   20  4  o 105.640 1.8740 551.549  19.541  545.453  31.848  555.229  24.746  104.927 3.0751 105.947 2.3664 -1.019371      3.880247  
1 1 1 6   20  5  o 92.905  1.6443 426.426  15.079  427.821  21.747  425.135  20.926  93.004  2.3690 92.719  2.2865 0.2853851      3.292453  
1 1 1 6   20  6  o 151.163 6.6308 1146.70  98.934  1162.00  139.999 1131.44  139.829 150.614 9.4655 148.542 9.5882 2.071350       13.47325  
1 1 1 6   20  7  o 90.001  6.3169 407.704  55.761  445.958  78.912  369.557  78.803  93.375  8.6607 84.581  9.6098 8.794273       12.93663  
1 1 1 6   20  8  o 121.198 1.9694 725.995  23.559  736.691  32.767  714.550  33.896  122.007 2.7209 120.142 2.8584 1.864799       3.946393  
1 1 1 6   20  9  o 103.312 1.8716 527.458  19.085  528.910  26.458  525.883  27.555  103.391 2.5926 103.083 2.7082 0.3083496      3.749177  
1 1 1 6   20  10 o 127.957 2.0725 809.380  26.175  782.958  37.263  835.117  36.776  125.737 3.0025 129.877 2.8688 -4.140297      4.152698  
1 1 1 6   20  11 o 103.635 1.9560 530.851  20.009  525.605  27.800  536.489  28.821  103.048 2.7332 104.102 2.8049 -1.053375      3.916359  
1 1 1 6   20  12 o 12.495  4.7129 5.6508   7.9292  -1.7942  11.123  13.344   11.307  11.801  5.1285 16.909  5.7084 -5.107809      7.673796  
1 1 1 6   20  13 o 59.238  1.3562 173.318  7.9296  176.100  10.147  168.954  12.709  59.698  1.7221 58.451  2.2028 1.246696       2.796037  
1 1 1 6   20  14 o 90.016  2.3447 400.848  20.833  536.115  82.188  391.560  21.536  102.443 8.1968 88.957  2.4528 13.48592       8.555902  
1 1 1 6   20  15 o 27.377  7.6041 39.106   21.281  39.695   29.889  38.501   30.308  28.260  9.2746 28.009  9.3465 0.2514057      13.16720  
1 1 1 6   20  16 o 113.848 2.7448 642.000  30.844  609.034  44.066  673.663  43.186  110.654 4.0346 116.438 3.7577 -5.783356      5.513468  
1 1 1 6   20  17 o 67.131  1.6383 222.717  10.855  232.499  15.246  212.660  15.459  68.547  2.2534 65.546  2.3895 3.000587       3.284440  
1 1 1 6   20  18 f 66.821  1.6933 220.722  11.168  211.397  15.811  230.010  15.778  65.336  2.4517 68.161  2.3453 -2.825531      3.392793  
1 1 1 6   20  19 o 41.107  3.2355 84.466   13.022  95.491   18.908  74.521   17.959  43.488  4.4686 38.275  4.8637 5.213024       6.604815  
1 1 1 6   20  20 o 82.476  1.9489 336.666  15.866  338.232  27.160  335.855  19.547  82.441  3.3378 82.315  2.4059 0.1256027      4.114505  
1 1 1 6   20  21 o 56.169  1.5971 156.054  8.8543  145.994  12.510  166.152  12.534  54.258  2.3360 57.900  2.1932 -3.641289      3.204150  
1 1 1 6   20  22 o 5.7951  2.3118 0.8294   1.9918  -5.0054  2.8028  6.7824   2.8311  4.2706  2.0784 11.459  2.5667 -7.188904      3.302699  
1 1 1 6   20  23 o 107.419 7.9386 616.925  83.573  634.490  141.950 607.606  103.392 100.235 14.792 104.079 10.195 -3.844009      17.96547  
1 1 1 6   20  24 f 37.686  3.6615 72.042   13.448  80.036   20.258  65.744   17.982  39.163  5.3830 35.464  5.2996 3.698860       7.553932  
1 1 1 6   20  25 o 52.537  8.3648 153.189  41.922  138.312  69.687  161.628  52.481  45.363  14.086 52.394  10.514 -7.030479      17.57699  
1 1 1 6   20  26 o 16.588  5.9381 12.772   12.326  14.544   17.153  10.879   17.725  18.380  6.9320 17.528  6.9264 0.8522816      9.799374  
1 1 1 6   21  0  o 79.743  1.4830 314.390  11.672  328.671  17.636  303.257  15.571  81.446  2.1938 78.258  2.0158 3.188179       2.979300  
1 1 1 6   21  1  o 66.282  1.6420 217.257  10.743  216.202  15.310  218.281  15.077  66.052  2.3484 66.374  2.3013 -0.3222885     3.288002  
1 1 1 6   21  2  o 28.165  2.8185 39.741   7.7302  42.211   11.387  37.630   10.528  28.802  4.1231 27.179  4.0479 1.623133       5.777993  
1 1 1 6   21  3  o 92.390  1.6066 421.911  14.651  426.443  20.522  417.200  20.924  92.818  2.2400 91.798  2.3093 1.020012       3.217231  
1 1 1 6   21  4  o 221.333 2.7997 2427.96  61.163  2385.40  86.482  2470.54  86.513  218.902 4.0026 222.807 3.9339 -3.905060      5.612152  
1 1 1 6   21  5  o 103.222 6.4041 538.594  64.926  551.885  91.833  525.311  91.805  103.269 9.1025 100.607 9.3520 2.661995       13.05047  
1 1 1 6   21  6  o 88.062  6.3466 391.971  54.795  403.257  77.639  380.769  77.345  88.283  9.0371 85.648  9.2986 2.635353       12.96666  
1 1 1 6   21  7  o 46.689  2.1547 107.813  9.9297  115.225  15.311  102.432  13.045  48.095  3.2442 45.375  2.9284 2.719707       4.370380  
1 1 1 6   21  8  o 49.397  2.1651 120.677  10.556  139.824  16.235  106.652  13.895  53.020  3.1159 46.289  3.0584 6.731483       4.366101  
1 1 1 6   21  9  o 105.594 1.8697 551.147  19.487  549.915  28.164  552.279  26.990  105.384 2.7076 105.625 2.5888 -0.2413101     3.746100  
1 1 1 6   21  10 o 66.775  1.9554 220.439  12.888  222.896  19.314  218.466  17.303  67.074  2.9173 66.428  2.6390 0.6465454      3.933884  
1 1 1 6   21  11 o 110.039 1.9731 598.667  21.430  616.061  30.019  580.589  30.603  111.535 2.7268 108.257 2.8640 3.277901       3.954481  
1 1 1 6   21  12 o 3.3889  1.6887 -5.8773  2.2579  2.4873   13.783  -6.1080  2.2888  14.259  5.9301 3.3813  1.6873 10.87808       6.165433  
1 1 1 6   21  13 o 8.8435  2.2136 4.0210   1.9277  7.2346   2.7133  0.7454   2.7393  11.879  2.3968 6.5523  2.6758 5.326643       3.592292  
1 1 1 6   21  14 o 142.623 6.5996 1026.38  92.905  1021.87  131.318 1030.91  131.458 140.370 9.5345 141.017 9.5000 -0.6467590     13.45942  
1 1 1 6   21  15 o 50.262  3.5274 126.124  17.389  194.789  49.577  116.492  18.568  61.145  8.4396 48.225  3.9352 12.92010       9.311941  
1 1 1 6   21  16 o 140.391 2.2247 975.520  30.827  968.436  43.900  982.411  43.299  139.670 3.1844 140.691 3.1180 -1.021179      4.456755  
1 1 1 6   21  17 o 46.638  2.8655 108.308  13.127  121.160  19.233  97.098   17.961  49.140  3.9999 43.917  4.1945 5.223167       5.795989  
1 1 1 6   21  18 o 36.968  1.7345 67.592   6.3292  69.431   6.6964  52.194   19.378  37.464  1.8109 31.521  6.4459 5.943378       6.695403  
1 1 1 6   21  19 o 105.142 2.1360 547.605  22.167  545.676  32.014  549.381  30.723  104.744 3.0965 105.134 2.9607 -0.3898697     4.284168  
1 1 1 6   21  20 o 71.427  1.7306 252.492  12.201  260.829  17.234  244.114  17.276  72.501  2.4082 70.125  2.4960 2.375671       3.468329  
1 1 1 6   21  21 o 53.601  2.5119 142.778  13.289  221.758  57.224  138.276  13.663  63.512  9.4133 52.732  2.6251 10.77992       9.772498  
1 1 1 6   21  22 o 76.103  7.7891 310.575  57.684  278.089  68.752  387.817  106.016 70.032  10.250 78.604  14.186 -8.571564      17.50168  
1 1 1 6   21  23 o 56.184  1.4731 156.278  8.1690  178.037  14.206  145.529  9.9849  59.811  2.4064 54.166  1.8676 5.645576       3.046099  
1 1 1 6   21  24 o 26.450  5.1251 37.037   12.897  36.748   19.612  37.257   17.120  25.818  7.3455 26.103  6.6316 -0.2842617     9.896207  
1 1 1 6   21  25 o 24.299  1.1184 29.203   2.6824  38.031   4.7510  25.072   3.2499  27.631  1.7511 22.449  1.4749 5.182224       2.289449  
1 1 1 6   22  0  o 67.226  1.5108 223.536  10.025  229.191  15.255  219.237  13.300  67.976  2.2737 66.518  2.0257 1.458107       3.045146  
1 1 1 6   22  1  o 79.636  1.6169 313.763  12.709  324.667  18.236  303.467  17.722  80.908  2.2835 78.220  2.2954 2.688179       3.237789  
1 1 1 6   22  2  o 30.476  2.7710 46.526   8.2442  42.208   12.566  49.789   10.924  28.635  4.6020 31.384  3.5910 -2.749437      5.837256  
1 1 1 6   22  3  o 39.028  2.4752 75.852   9.4855  85.057   14.615  69.152   12.468  41.135  3.6370 37.096  3.4446 4.038685       5.009265  
1 1 1 6   22  4  o 110.027 6.4357 617.926  69.588  597.182  98.261  638.799  98.563  106.141 9.4789 110.048 9.1571 -3.906921      13.17961  
1 1 1 6   22  5  o 105.551 6.4414 567.528  66.787  588.411  94.539  546.723  94.363  105.849 9.1384 101.758 9.5052 4.090805       13.18557  
1 1 1 6   22  6  o 86.631  1.7138 371.089  14.655  372.700  20.859  369.518  20.593  86.735  2.4365 86.367  2.4157 0.3682022      3.431037  
1 1 1 6   22  7  o 11.270  1.3437 6.3647   1.4653  6.6758   10.975  6.3590   1.4786  14.226  5.4998 11.264  1.3572 2.962452       5.664837  
1 1 1 6   22  8  o 60.620  1.6709 181.656  9.9979  190.327  17.384  177.371  12.221  61.953  2.8428 59.875  2.0680 2.078884       3.515414  
1 1 1 6   22  9  o 121.995 1.9744 736.145  23.774  791.541  34.380  685.378  32.912  126.367 2.7564 117.572 2.8361 8.794327       3.954844  
1 1 1 6   22  10 o 66.875  2.0041 221.227  13.229  228.008  19.861  215.820  17.735  67.799  2.9678 65.989  2.7229 1.810646       4.027717  
1 1 1 6   22  11 o 54.036  1.2625 144.236  6.7337  151.702  8.5144  131.770  11.003  55.404  1.5570 51.602  2.1602 3.801414       2.662841  
1 1 1 6   22  12 o 59.763  3.3306 177.966  19.569  179.128  27.015  176.683  28.384  59.697  4.6208 59.219  4.9000 0.4779167      6.735136  
1 1 1 6   22  13 o 140.464 6.5949 999.759  91.433  1055.11  128.696 943.348  129.925 142.299 9.2123 133.982 9.8946 8.317383       13.51920  
1 1 1 6   22  14 o 24.282  4.9383 30.590   11.433  40.236   17.811  23.830   14.910  27.630  6.6180 21.559  6.4815 6.071854       9.263238  
1 1 1 6   22  15 o 51.638  2.7743 132.670  14.088  134.450  22.094  131.449  18.289  51.679  4.3723 51.251  3.6390 0.4282990      5.688540  
1 1 1 6   22  16 o 73.772  3.3319 270.809  24.262  291.154  66.463  267.681  26.060  73.994  9.3060 73.294  3.6022 0.7000885      9.978825  
1 1 1 6   22  17 o 78.964  1.7512 308.498  13.649  340.413  19.371  277.034  19.234  82.862  2.3685 74.715  2.6081 8.147018       3.523059  
1 1 1 6   22  18 o 30.248  1.1586 45.210   3.4592  39.163   5.0567  50.530   4.7426  28.067  1.8354 31.965  1.5032 -3.897989      2.372416  
1 1 1 6   22  19 o 70.967  2.6642 250.387  18.662  278.959  29.423  231.157  24.138  74.457  4.0185 67.886  3.6154 6.570671       5.405470  
1 1 1 6   22  20 o 68.155  8.1214 249.897  53.558  262.460  94.907  244.027  64.874  63.624  15.300 65.744  10.339 -2.119843      18.46596  
1 1 1 6   22  21 o 24.036  8.4104 29.306   24.607  32.159   34.741  26.435   34.858  26.074  9.8577 24.967  9.7600 1.106949       13.87197  
1 1 1 6   22  22 o 59.380  2.2465 175.353  13.167  203.388  33.602  170.267  14.311  62.561  5.4973 58.463  2.4800 4.097965       6.030855  
1 1 1 6   22  23 o 22.065  5.6978 26.236   12.495  27.476   18.652  25.227   16.831  22.677  7.3191 21.779  6.9445 0.8979816      10.08939  
1 1 1 6   22  24 f 24.294  2.3479 29.682   5.5599  26.432   5.8567  59.332   17.689  22.853  2.6454 33.383  5.5644 -10.52994      6.161234  
1 1 1 6   22  25 o 29.269  5.3820 45.942   14.976  37.241   17.761  67.339   27.853  25.791  6.8583 33.997  8.3590 -8.205725      10.81241  
1 1 1 6   23  0  o 45.931  2.5019 105.195  11.300  106.229  23.538  104.886  12.881  45.343  5.3632 45.791  2.8644 -0.4472198     6.080211  
1 1 1 6   23  1  o 22.540  3.1879 25.841   6.8946  30.834   10.765  22.369   8.9774  24.322  4.6537 20.670  4.5256 3.652039       6.491417  
1 1 1 6   23  2  o 69.626  1.7036 239.998  11.708  243.377  16.824  236.825  16.303  70.001  2.4349 69.060  2.3917 0.9409943      3.413109  
1 1 1 6   23  3  o 87.937  6.4430 400.253  55.534  406.784  78.655  393.760  78.420  86.494  9.3626 84.963  9.5145 1.531113       13.34856  
1 1 1 6   23  4  o 57.593  6.6902 173.092  37.323  163.290  52.520  183.092  53.048  54.070  10.215 57.664  9.6620 -3.594685      14.06090  
1 1 1 6   23  5  o 80.842  1.7331 323.466  13.829  334.806  19.711  312.474  19.407  82.132  2.4314 79.337  2.4783 2.795181       3.471815  
1 1 1 6   23  6  o 73.459  1.7824 267.073  12.924  281.933  18.280  252.223  18.273  75.378  2.4570 71.273  2.5975 4.104752       3.575449  
1 1 1 6   23  7  o 13.853  4.6449 9.0915   7.4856  13.883   10.788  4.6422   10.395  16.893  5.5733 13.226  5.2796 3.667873       7.677010  
1 1 1 6   23  8  o 12.723  1.4587 8.1070   1.7987  3.8026   10.930  8.2269   1.8236  13.215  5.3646 12.817  1.4680 0.3979187      5.561794  
1 1 1 6   23  9  o 53.983  1.5629 144.100  8.3277  143.534  13.658  144.435  10.507  53.789  2.5726 54.015  1.9707 -0.2268524     3.240632  
1 1 1 6   23  10 o 59.436  1.8097 174.790  10.617  172.687  17.893  175.933  13.189  58.854  3.0910 59.590  2.2424 -0.7351837     3.818726  
1 1 1 6   23  11 o 32.850  7.6649 57.769   24.398  54.729   34.283  60.889   34.731  31.937  9.8737 33.471  9.8516 -1.534119      13.94791  
1 1 1 6   23  12 f 70.732  6.6408 257.545  45.820  263.811  65.570  251.564  64.055  69.997  9.7557 68.317  9.7781 1.680046       13.81253  
1 1 1 6   23  13 o 35.044  1.4957 60.720   5.1736  48.769   16.085  62.099   5.4640  30.617  5.5259 35.437  1.5621 -4.819578      5.742418  
1 1 1 6   23  14 o 43.282  1.4569 92.622   6.2240  98.498   8.8724  86.929   8.7334  44.597  2.0156 41.835  2.1219 2.761845       2.926649  
1 1 1 6   23  15 o 39.096  1.0233 75.506   3.9489  80.636   5.6395  70.572   5.5313  40.385  1.4148 37.777  1.4834 2.607723       2.049930  
1 1 1 6   23  16 o 84.718  1.7814 355.312  14.896  367.912  22.696  345.776  19.744  86.039  2.6725 83.468  2.3965 2.571289       3.589610  
1 1 1 6   23  17 o 74.668  3.9152 280.424  28.754  0.0000   0.0000  280.424  28.754  ?       ?      74.668  3.9152 0.000000       3.915187  
1 1 1 6   23  18 o 44.307  3.2166 98.580   13.971  98.061   21.788  98.942   18.207  43.610  5.1617 44.114  4.2336 -0.5039024     6.675819  
1 1 1 6   23  19 o 81.560  6.7148 350.050  53.576  336.424  75.507  363.866  76.031  76.987  10.187 80.501  9.7689 -3.513588      14.11387  
1 1 1 6   23  20 o 42.139  8.0842 98.544   32.401  117.860  46.568  80.418   45.111  44.451  10.735 36.448  11.336 8.003056       15.61205  
1 1 1 6   23  21 o 33.850  0.9823 56.639   3.2821  55.303   4.6888  57.921   4.5957  33.420  1.4214 34.207  1.3611 -0.7865791     1.968032  
1 1 1 6   23  22 o 85.721  2.7830 367.551  23.547  417.596  43.531  346.853  27.996  89.984  4.9199 82.991  3.4176 6.993469       5.990425  
1 1 1 6   23  23 o 47.362  3.6132 114.045  16.763  122.730  30.880  110.416  19.960  47.495  6.7796 46.263  4.4252 1.232147       8.095993  
1 1 1 6   23  24 o 30.790  1.9016 47.320   5.7507  47.726   5.8096  27.574   40.498  30.920  1.9130 25.073  10.269 5.847200       10.44601  
1 1 1 6   24  2  o 24.397  7.4575 31.951   19.621  26.501   27.630  37.494   27.867  23.828  8.8350 26.567  8.9618 -2.738710      12.58459  
1 1 1 6   24  3  o 44.239  7.0999 104.703  29.953  101.925  42.526  107.438  42.196  41.986  10.332 43.276  10.068 -1.290386      14.42619  
1 1 1 6   24  4  o 57.396  2.0416 163.406  11.566  167.155  16.652  159.911  16.077  57.825  2.9271 56.564  2.8892 1.260632       4.112815  
1 1 1 6   24  5  o 58.484  1.9662 169.596  11.350  173.701  16.429  165.846  15.699  59.043  2.8191 57.704  2.7564 1.338322       3.942688  
1 1 1 6   24  6  o 56.371  2.2694 157.789  12.627  182.066  24.858  149.346  14.659  59.964  4.2270 54.771  2.7116 5.192802       5.022043  
1 1 1 6   24  7  o 11.292  4.6287 2.3867   8.2362  6.1293   12.501  -0.4837  10.948  14.562  5.7970 11.924  5.1347 2.637857       7.744081  
1 1 1 6   24  8  o 71.439  1.7167 252.707  12.105  259.134  16.181  244.537  18.242  72.253  2.2689 70.117  2.6359 2.135193       3.477870  
1 1 1 6   24  9  o 13.839  1.1719 9.5334   1.5857  2.9416   2.2645  15.875   2.2212  7.8358  2.5519 17.875  1.2671 -10.03918      2.849213  
1 1 1 6   24  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   24  11 o 36.925  1.7903 67.523   6.5250  67.523   6.5250  0.0000   0.0000  36.925  1.7903 ?       ?      0.000000       1.790295  
1 1 1 6   24  12 f 42.662  2.8971 91.050   12.127  86.291   17.188  95.768   17.113  41.194  4.2902 43.491  4.0324 -2.296604      5.887793  
1 1 1 6   24  13 o 21.835  1.8902 23.798   4.0336  23.055   4.1546  36.001   16.837  21.477  1.9822 25.902  6.5743 -4.425140      6.866653  
1 1 1 6   24  14 o 48.439  1.8533 116.258  8.8609  149.205  19.667  107.867  9.9253  54.437  3.6819 46.625  2.1567 7.812160       4.267077  
1 1 1 6   24  15 f 32.876  1.5821 53.506   5.1339  46.131   19.160  54.076   5.3287  29.219  6.7753 33.047  1.6336 -3.828081      6.969453  
1 1 1 6   24  16 o 71.425  2.3967 253.677  16.896  282.954  26.550  233.749  21.905  75.086  3.5824 68.347  3.2470 6.738510       4.834956  
1 1 1 6   24  17 o 41.003  4.4321 86.192   17.652  97.180   22.075  66.705   29.397  43.244  5.2816 34.342  8.6709 8.901432       10.15286  
1 1 1 6   24  18 o 100.807 7.9046 552.103  78.021  534.713  134.800 560.864  95.675  87.844  16.142 99.091  9.9152 -11.24656      18.94372  
1 1 1 6   24  19 o 36.827  1.3748 67.143   4.9975  71.354   7.1973  63.223   6.9444  37.858  1.9325 35.622  1.9830 2.236607       2.768896  
1 1 1 6   24  20 o 45.103  1.7750 100.960  7.9020  101.430  8.7129  98.779   18.757  45.182  1.9537 43.794  4.3986 1.387344       4.812982  
1 1 1 6   24  21 o 73.192  2.6691 267.925  19.282  283.515  30.666  257.732  24.798  74.468  4.1891 71.439  3.5167 3.029144       5.469579  
1 1 1 6   24  22 o 7.9581  2.6618 2.9915   2.4581  5.2313   3.4153  0.5845   3.5406  10.176  3.1116 7.1929  2.9996 2.982711       4.321987  
1 1 1 6   24  23 f 15.833  6.4458 7.3753   15.835  4.5134   25.822  9.1002   20.046  18.261  7.8747 17.542  7.2096 0.7196980      10.67660  
1 1 1 6   25  4  o 72.865  2.4052 264.307  17.299  250.924  20.817  294.175  31.098  70.834  2.9774 76.119  4.1548 -5.285034      5.111447  
1 1 1 6   25  5  f 98.345  1.9568 479.958  18.995  482.641  27.226  477.414  26.513  98.335  2.8051 97.824  2.7459 0.5109329      3.925305  
1 1 1 6   25  6  o 71.245  2.2486 252.295  15.813  260.628  27.394  248.131  19.364  71.813  3.8791 70.522  2.7819 1.290459       4.773535  
1 1 1 6   25  7  o 29.993  1.4535 44.527   4.3031  37.655   13.495  45.305   4.5401  26.671  5.3126 30.211  1.5275 -3.539490      5.527876  
1 1 1 6   25  8  o 75.346  1.8948 281.594  14.092  277.497  20.419  285.321  19.472  74.580  2.7738 75.672  2.6070 -1.091644      3.806655  
1 1 1 6   25  9  o 41.642  7.7660 95.166   30.746  106.777  43.094  83.127   43.880  42.656  10.342 37.265  11.100 5.391060       15.17153  
1 1 1 6   25  10 o 107.089 2.0037 569.208  21.179  584.541  29.194  552.172  30.772  108.257 2.7321 105.119 2.9658 3.138695       4.032431  
1 1 1 6   25  11 o 21.516  0.9551 22.876   2.0283  15.260   2.8983  30.188   2.8396  17.466  1.7028 24.708  1.1643 -7.242380      2.062847  
1 1 1 6   25  12 o 33.230  3.4352 55.988   11.104  60.235   15.785  51.827   15.624  34.060  4.8308 31.419  5.2214 2.640966       7.113317  
1 1 1 6   25  13 o 19.327  2.0960 18.770   3.9344  17.855   4.0766  31.195   15.023  18.821  2.2384 24.008  6.2712 -5.186920      6.658696  
1 1 1 6   25  14 f 31.592  1.2472 49.374   3.8891  55.610   5.5145  43.203   5.4856  33.496  1.6679 29.446  1.8975 4.050623       2.526375  
1 1 1 6   25  15 o 39.041  3.1896 76.930   12.184  84.022   17.345  70.022   17.118  40.417  4.4198 36.704  4.8434 3.712414       6.556912  
1 1 1 6   25  16 o 44.237  1.8559 97.134   8.1033  94.842   9.0695  106.203  18.042  43.676  2.1038 45.601  4.0507 -1.924999      4.564487  
1 1 1 6   25  17 o 15.710  6.7594 1.2892   18.939  -14.4526 25.965  19.186   27.685  15.730  7.2430 21.836  8.6477 -6.106556      11.28023  
1 1 1 6   25  18 o 54.621  2.8313 149.804  15.212  168.258  24.211  137.767  19.554  57.265  4.3151 52.001  3.8368 5.264141       5.774187  
1 1 1 6   25  19 o 45.691  4.8109 108.667  21.370  96.215   23.488  168.528  51.500  42.504  5.7460 52.819  10.248 -10.31538      11.74893  
1 1 1 6   25  20 o 8.0377  2.8049 2.8985   2.7360  4.3676   3.9416  1.5325   3.8008  9.7425  3.3685 7.9178  3.1813 1.824677       4.633235  
1 1 1 6   25  21 o 39.174  3.7430 78.737   14.297  89.873   22.272  70.934   18.645  40.933  5.6644 36.461  5.3391 4.471680       7.783996  
1 1 1 6   25  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 6   26  7  o 25.485  8.1832 35.921   23.339  43.451   34.899  29.828   31.391  28.004  9.9952 24.723  9.3647 3.280563       13.69680  
1 1 1 6   26  8  o 66.998  6.9731 241.663  45.437  255.559  65.075  228.444  63.471  65.847  10.354 61.772  10.803 4.074768       14.96422  
1 1 1 6   26  9  o 75.127  1.8133 280.087  13.446  295.186  17.475  258.175  21.052  76.996  2.2994 71.795  2.9708 5.200638       3.756713  
1 1 1 6   26  10 o 28.759  1.5666 41.107   4.4302  41.454   20.951  41.091   4.5327  27.233  7.5380 28.748  1.6038 -1.515354      7.706728  
1 1 1 6   26  11 o 37.761  1.5225 70.649   5.6747  65.840   16.463  71.297   6.0452  35.541  4.8171 37.924  1.6150 -2.383038      5.080596  
1 1 1 6   26  12 o 45.271  1.6385 101.620  7.3216  105.676  8.1298  84.211   16.844  46.145  1.7849 40.459  4.2829 5.685955       4.639991  
1 1 1 6   26  13 o 39.499  3.6088 79.399   13.914  97.258   24.201  70.580   17.006  42.759  5.8906 36.796  4.7965 5.962955       7.596431  
1 1 1 6   26  14 o 12.109  5.1268 1.2778   10.589  0.0428   15.130  2.4634   14.825  13.917  6.0144 14.350  6.0702 -0.4330359     8.545149  
1 1 1 6   26  15 o 78.196  6.9911 331.696  53.390  327.110  75.185  336.360  75.829  73.548  10.668 74.697  10.581 -1.148247      15.02539  
1 1 1 6   26  16 o 46.565  8.3446 123.952  36.944  125.135  53.059  122.839  51.471  43.642  11.962 43.453  11.728 0.1883812      16.75201  
1 1 1 6   26  17 o 29.359  4.6597 45.379   13.052  66.126   19.743  29.273   17.395  34.971  5.9317 22.988  7.0211 11.98273       9.191313  
1 1 1 6   26  18 o 54.562  2.8123 149.833  15.094  158.160  23.128  143.656  19.922  55.377  4.2640 52.983  3.8353 2.394386       5.735124  
1 1 1 6   26  19 o 37.934  1.4471 71.363   5.4184  70.925   7.7185  71.790   7.6081  37.664  2.0844 37.903  2.0411 -0.2395210     2.917328  
1 1 1 6   26  20 o 14.523  1.7198 10.630   2.4175  10.496   2.4239  35.814   33.225  14.427  1.7370 25.286  9.6209 -10.85901      9.776470  
1 1 1 6   27  10 o 79.475  8.2155 358.805  63.516  387.534  112.363 345.315  76.998  69.862  16.549 74.694  10.754 -4.831528      19.73634  
1 1 1 6   27  11 o 25.200  5.6724 34.645   13.769  30.109   17.089  43.038   23.246  23.245  6.9278 27.272  8.0691 -4.026585      10.63504  
1 1 1 6   27  12 o 41.168  1.6400 84.126   6.6639  78.015   18.729  85.011   7.1306  38.439  5.0594 41.368  1.7463 -2.928635      5.352264  
1 1 1 6   27  13 o 23.881  1.6308 28.438   3.8211  28.542   3.9357  26.739   15.948  23.917  1.6778 22.005  6.7231 1.912271       6.929295  
1 1 1 6   27  14 o 59.044  7.4247 195.209  42.313  187.398  58.689  203.664  61.062  53.759  11.413 56.119  11.412 -2.360203      16.14013  
1 1 1 6   27  15 o 48.544  4.6868 123.194  22.177  109.256  24.317  192.093  54.065  45.180  5.5711 55.624  10.224 -10.44405      11.64349  
1 1 1 6   27  16 o 19.986  5.7547 21.898   11.967  32.112   17.151  12.204   16.707  23.795  6.9000 17.320  6.7607 6.474878       9.660048  
1 1 1 6   27  17 o 31.395  1.9011 49.270   5.8634  69.633   25.920  48.172   6.0194  34.439  7.8056 31.026  1.9759 3.413170       8.051754  
1 1 1 7   -22 0  o 21.230  5.7907 24.320   12.470  33.645   30.891  22.505   13.630  25.487  9.3610 20.515  6.2037 4.971888       11.23008  
1 1 1 7   -21 0  o 55.467  1.2486 152.167  6.8356  131.682  11.085  164.736  8.6831  51.484  2.1814 57.682  1.5251 -6.197617      2.661637  
1 1 1 7   -21 1  o 39.295  1.6496 76.497   6.3982  45.004   40.173  77.317   6.4809  29.174  10.681 39.504  1.6621 -10.32925      10.80985  
1 1 1 7   -21 2  o 56.638  2.0821 159.325  11.640  146.852  16.047  173.175  16.910  54.107  3.0167 58.871  2.9100 -4.763790      4.191539  
1 1 1 7   -20 0  o 31.008  3.0014 48.386   9.0712  50.468   12.515  46.082   13.167  31.411  4.1371 29.864  4.6159 1.547199       6.198534  
1 1 1 7   -20 1  o 42.363  1.2577 88.735   5.2589  87.879   5.6560  94.195   14.287  42.151  1.3595 43.268  3.3720 -1.116600      3.635769  
1 1 1 7   -20 2  o 56.405  2.2899 158.016  12.749  189.536  54.715  156.206  13.110  58.068  9.9015 56.069  2.3689 1.998894       10.18089  
1 1 1 7   -20 3  o 49.909  7.3495 133.328  35.121  131.845  49.310  134.854  50.035  47.656  10.740 48.179  10.790 -0.5231705     15.22403  
1 1 1 7   -20 4  o 69.647  6.7561 255.441  45.861  244.032  64.605  267.031  65.112  65.459  10.343 68.927  9.8508 -3.467407      14.28313  
1 1 1 7   -19 0  o 23.735  7.8230 28.451   21.257  25.883   29.827  31.101   30.301  24.491  9.1600 25.754  9.2997 -1.263157      13.05337  
1 1 1 7   -19 1  o 47.639  10.592 127.641  48.513  118.049  67.569  137.846  69.697  44.423  13.883 47.791  13.924 -3.367760      19.66264  
1 1 1 7   -19 2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -19 3  f 64.508  2.2379 206.451  14.249  212.736  58.469  206.054  14.692  62.007  9.8853 64.435  2.3101 -2.427765      10.15160  
1 1 1 7   -19 4  o 47.811  1.1852 112.986  5.5929  109.157  7.9976  116.650  7.8245  46.954  1.7256 48.547  1.6329 -1.592922      2.375753  
1 1 1 7   -19 5  o 45.161  1.4258 100.882  6.3558  103.144  7.6727  95.935   11.346  45.643  1.7031 43.843  2.6340 1.799278       3.136680  
1 1 1 7   -19 6  o 55.194  1.5194 150.754  8.2774  144.087  10.338  162.663  13.816  53.914  1.9427 57.210  2.4468 -3.295986      3.124210  
1 1 1 7   -18 0  o 52.900  1.4470 138.290  7.5552  129.919  12.783  142.784  9.3664  51.204  2.5292 53.735  1.7660 -2.530975      3.084708  
1 1 1 7   -18 1  o 57.361  1.4937 162.628  8.4572  149.765  12.616  173.126  11.397  54.987  2.3244 59.152  1.9521 -4.165009      3.035405  
1 1 1 7   -18 2  o 68.004  1.4657 228.591  9.8380  228.228  12.964  229.083  15.107  67.911  1.9341 68.005  2.2506 -0.9420776E-01 2.967430  
1 1 1 7   -18 3  o 8.3554  1.6273 3.5715   1.2938  3.4908   11.146  3.5726   1.3026  13.225  5.3987 8.3554  1.6380 4.869550       5.641717  
1 1 1 7   -18 4  f 21.911  1.6097 23.875   3.4569  0.0000   0.0000  23.875   3.4569  ?       ?      21.911  1.6097 0.000000       1.609666  
1 1 1 7   -18 5  o 21.897  1.4361 23.811   3.0866  23.221   3.2639  28.802   9.4937  21.613  1.5401 23.618  4.2277 -2.005363      4.499472  
1 1 1 7   -18 6  o 26.018  1.5535 33.605   3.9713  29.195   4.3304  56.932   9.9596  24.214  1.8253 33.680  3.0283 -9.465446      3.535885  
1 1 1 7   -18 7  o 94.259  1.6959 439.771  15.778  447.330  21.813  431.475  22.851  94.942  2.3276 93.209  2.4838 1.733437       3.403981  
1 1 1 7   -18 8  o 138.004 2.1022 944.511  28.636  960.028  39.240  926.833  41.883  138.844 2.8633 136.311 3.1130 2.533157       4.229547  
1 1 1 7   -17 0  o 72.535  1.3399 259.874  9.5933  256.234  13.570  263.510  13.564  71.993  1.9097 73.010  1.8822 -1.016899      2.681323  
1 1 1 7   -17 1  o 54.109  1.4846 144.649  7.9289  136.451  12.179  150.679  10.446  52.510  2.3499 55.205  1.9170 -2.695099      3.032657  
1 1 1 7   -17 2  o 50.660  1.7546 126.868  8.7734  130.180  11.908  122.934  12.976  51.284  2.3524 49.746  2.6523 1.537651       3.545171  
1 1 1 7   -17 3  o 89.016  1.5718 391.621  13.810  379.208  19.425  404.307  19.637  87.528  2.2484 90.384  2.2011 -2.855705      3.146481  
1 1 1 7   -17 4  o 120.209 1.8555 714.735  22.016  707.914  31.547  721.212  30.739  119.491 2.6748 120.627 2.5818 -1.136139      3.717532  
1 1 1 7   -17 5  o 21.465  6.1530 23.941   13.709  42.104   29.721  19.033   15.451  28.543  9.2419 19.861  6.6732 8.681532       11.39931  
1 1 1 7   -17 6  o 68.216  1.4742 230.062  9.9257  231.226  13.188  228.542  15.074  68.342  1.9551 67.910  2.2488 0.4319687      2.979880  
1 1 1 7   -17 7  o 26.479  1.4886 34.779   3.8748  48.472   8.8913  31.569   4.3051  31.087  2.9324 25.198  1.7416 5.888512       3.410563  
1 1 1 7   -17 8  o 70.071  1.5213 242.827  10.522  248.570  14.943  237.180  14.818  70.822  2.1377 69.175  2.1702 1.646126       3.046217  
1 1 1 7   -17 9  o 26.831  2.5878 36.085   6.7682  35.868   9.6324  36.297   9.5121  26.518  3.7878 26.696  3.7102 -0.1783886     5.302133  
1 1 1 7   -16 0  o 52.408  1.0774 135.609  5.5732  136.272  7.8792  134.944  7.8843  52.524  1.5198 52.268  1.5283 0.2567902      2.155322  
1 1 1 7   -16 1  o 64.495  1.4774 205.462  9.4053  192.220  13.420  218.244  13.185  62.351  2.1806 66.447  2.0104 -4.095997      2.965918  
1 1 1 7   -16 2  o 115.942 1.7456 664.243  19.977  635.958  27.713  694.839  28.822  113.376 2.4765 118.510 2.4640 -5.133873      3.493462  
1 1 1 7   -16 3  o 77.895  1.5146 299.749  11.645  284.399  15.839  317.809  17.180  75.839  2.1159 80.166  2.1713 -4.326744      3.031736  
1 1 1 7   -16 4  o 125.527 1.9530 779.042  24.198  772.657  33.046  786.424  35.530  124.912 2.6803 125.991 2.8571 -1.078743      3.917545  
1 1 1 7   -16 5  o 136.254 1.9520 918.081  26.252  909.849  37.985  925.607  36.322  135.489 2.8403 136.687 2.6922 -1.197922      3.913527  
1 1 1 7   -16 6  o 139.436 6.6359 985.075  91.329  1011.60  129.289 958.657  129.029 139.177 9.4678 135.266 9.7292 3.911713       13.57560  
1 1 1 7   -16 7  o 67.507  1.3535 225.191  9.0185  222.674  12.593  227.842  12.922  67.087  1.9017 67.858  1.9293 -0.7716141     2.708977  
1 1 1 7   -16 8  o 75.716  1.4753 283.415  11.026  280.902  15.480  286.003  15.707  75.316  2.0824 75.996  2.0940 -0.6793060     2.953153  
1 1 1 7   -16 9  o 44.947  1.6770 99.937   7.4401  101.632  10.673  98.335   10.377  45.208  2.4004 44.471  2.3728 0.7375565      3.375187  
1 1 1 7   -16 10 o 56.909  1.5256 160.157  8.5695  175.929  12.520  146.256  11.754  59.587  2.1288 54.324  2.1921 5.263481       3.055658  
1 1 1 7   -16 11 o 25.045  5.4823 33.025   13.176  10.986   29.590  38.476   14.716  21.316  8.7598 27.024  5.6965 -5.707325      10.44918  
1 1 1 7   -15 0  o 136.252 2.0749 917.492  27.905  928.540  37.866  904.360  41.281  136.991 2.8004 135.157 3.0944 1.833755       4.173461  
1 1 1 7   -15 1  o 199.336 2.6646 1965.59  52.426  1895.53  70.683  2051.27  78.162  195.547 3.6621 203.363 3.8940 -7.815842      5.345436  
1 1 1 7   -15 2  o 170.400 2.4762 1435.95  41.647  1424.06  61.208  1446.21  56.830  169.485 3.6589 170.857 3.3699 -1.371475      4.974276  
1 1 1 7   -15 3  f 113.104 1.7300 631.993  19.313  613.966  26.760  651.589  27.901  111.422 2.4333 114.783 2.4627 -3.360245      3.462037  
1 1 1 7   -15 4  o 87.027  1.5237 374.094  13.088  371.548  18.637  376.572  18.384  86.692  2.1780 87.279  2.1340 -0.5870972     3.049261  
1 1 1 7   -15 5  o 69.244  1.3687 236.808  9.3545  234.758  14.147  238.400  12.470  68.911  2.0799 69.457  1.8189 -0.5464706     2.763056  
1 1 1 7   -15 6  o 91.897  1.7500 417.351  15.873  372.583  26.785  441.584  19.706  86.699  3.1300 94.498  2.1128 -7.799156      3.776326  
1 1 1 7   -15 7  o 53.175  6.8893 145.122  35.309  153.471  49.970  136.797  49.899  53.740  9.7810 50.467  10.364 3.273285       14.25090  
1 1 1 7   -15 8  o 91.422  3.0176 414.717  27.230  480.871  83.736  406.894  28.795  96.098  8.9302 90.521  3.2228 5.577034       9.493936  
1 1 1 7   -15 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -15 10 o 41.707  7.6279 92.105   30.244  87.842   42.591  96.441   42.955  39.784  10.639 41.721  10.453 -1.937176      14.91497  
1 1 1 7   -15 11 o 35.792  7.5935 68.390   25.995  67.501   36.784  69.278   36.741  35.068  10.087 35.501  10.038 -0.4333458     14.23028  
1 1 1 7   -15 12 o 32.423  7.5926 56.524   23.871  65.134   33.897  48.053   33.621  34.394  9.6123 30.135  9.8341 4.259474       13.75157  
1 1 1 7   -14 0  o 122.506 2.0761 741.590  25.103  728.492  29.574  775.352  47.483  121.388 2.4684 125.073 3.8463 -3.684937      4.570197  
1 1 1 7   -14 1  o 121.924 1.8044 734.331  21.715  739.312  29.136  728.109  32.567  122.291 2.4138 121.333 2.7194 0.9578247      3.636153  
1 1 1 7   -14 2  o 123.345 1.8591 751.607  22.633  713.749  30.778  796.185  33.399  120.141 2.5955 126.882 2.6668 -6.741417      3.721377  
1 1 1 7   -14 3  o 128.930 1.9545 821.313  24.872  817.557  33.673  825.824  36.898  128.573 2.6534 129.196 2.8935 -0.6227264     3.925872  
1 1 1 7   -14 4  o 70.626  1.4996 246.340  10.454  234.533  14.166  260.459  15.491  68.891  2.0832 72.595  2.1620 -3.704170      3.002342  
1 1 1 7   -14 5  o 197.815 10.269 2001.50  199.805 1977.35  282.962 2025.52  282.174 192.860 14.982 195.430 14.737 -2.570389      21.01506  
1 1 1 7   -14 6  o 17.529  6.8568 9.3524   17.214  16.405   24.589  2.5741   24.107  21.582  8.2610 18.469  7.7727 3.112635       11.34277  
1 1 1 7   -14 7  o 118.192 6.5035 702.577  75.578  685.244  106.915 719.889  106.851 115.527 9.4590 118.548 9.2039 -3.020966      13.19789  
1 1 1 7   -14 8  o 189.766 7.0825 1816.62  132.659 1833.44  187.699 1799.83  187.518 188.278 10.138 186.464 10.228 1.813919       14.40052  
1 1 1 7   -14 9  o 119.586 6.5195 723.359  76.662  704.957  108.338 741.815  108.497 116.478 9.5062 119.653 9.2588 -3.174339      13.26996  
1 1 1 7   -14 10 o 28.046  9.4237 39.166   30.812  24.107   41.934  56.837   45.425  26.859  10.641 33.451  11.441 -6.592180      15.62467  
1 1 1 7   -14 11 o 47.728  1.5344 112.607  7.2285  115.551  9.4607  108.477  11.204  48.321  1.9836 46.723  2.4379 1.598129       3.142972  
1 1 1 7   -14 12 o 82.364  1.4164 335.298  11.515  341.545  16.353  329.156  16.216  83.067  1.9945 81.544  2.0148 1.522949       2.835023  
1 1 1 7   -14 13 o 60.182  1.3956 179.028  8.2898  188.986  11.481  168.179  11.983  61.793  1.8823 58.273  2.0833 3.519566       2.807703  
1 1 1 7   -13 0  o 118.833 1.7090 697.451  20.045  696.698  26.986  698.377  29.940  118.732 2.3027 118.856 2.5521 -0.1240845     3.437392  
1 1 1 7   -13 1  o 48.877  1.6652 117.984  8.0335  121.995  9.3283  106.467  15.806  49.695  1.9018 46.242  3.4886 3.452557       3.973316  
1 1 1 7   -13 2  o 195.017 7.0523 1901.71  135.750 1916.97  192.019 1886.47  191.939 194.260 10.049 192.661 10.129 1.599106       14.26797  
1 1 1 7   -13 3  o 185.205 6.9508 1714.65  127.063 1727.48  179.612 1701.79  179.777 184.449 9.9018 183.023 9.9894 1.426224       14.06536  
1 1 1 7   -13 4  f 103.494 6.4079 536.469  65.136  511.079  91.694  562.332  92.545  100.168 9.3836 105.237 8.9958 -5.069382      12.99915  
1 1 1 7   -13 5  o 96.651  7.3720 470.552  69.796  433.804  119.491 489.583  85.991  90.524  13.811 98.127  8.9779 -7.602768      16.47222  
1 1 1 7   -13 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -13 7  o 128.461 2.0362 815.450  25.818  821.927  32.289  803.967  42.991  128.924 2.5374 127.406 3.4187 1.518913       4.257433  
1 1 1 7   -13 8  o 87.585  1.4247 378.840  12.317  366.193  17.290  391.871  17.550  86.079  2.0350 89.049  1.9967 -2.969223      2.850983  
1 1 1 7   -13 9  o 189.589 4.2402 1786.33  79.347  1791.64  87.511  1761.80  188.129 189.729 4.6730 184.866 10.352 4.862564       11.35765  
1 1 1 7   -13 10 o 103.907 1.5409 533.418  15.803  533.821  22.263  533.009  22.436  103.890 2.1711 103.809 2.1897 0.8097839E-01  3.083558  
1 1 1 7   -13 11 o 17.249  2.7936 15.120   4.5936  12.548   6.2473  18.147   6.7776  15.585  4.0309 18.770  3.7889 -3.184669      5.532088  
1 1 1 7   -13 12 o 102.303 1.5780 517.351  15.934  531.744  22.453  502.748  22.616  103.638 2.1950 100.761 2.2740 2.876900       3.160513  
1 1 1 7   -13 13 o 47.409  1.3581 111.067  6.3553  118.518  8.7371  102.695  9.2612  48.949  1.8084 45.549  2.0600 3.400085       2.741109  
1 1 1 7   -13 14 o 48.438  1.4014 115.964  6.7001  117.968  8.8912  113.330  10.192  48.828  1.8448 47.836  2.1586 0.9923096      2.839571  
1 1 1 7   -12 0  o 122.217 6.4468 746.461  77.494  728.950  109.599 763.968  109.588 119.958 9.3298 122.897 9.0988 -2.939125      13.03205  
1 1 1 7   -12 1  f 200.943 7.1025 2016.77  140.869 2007.72  199.210 2025.81  199.228 199.008 10.176 199.928 10.129 -0.9205933     14.35754  
1 1 1 7   -12 2  o 126.294 6.4239 796.976  79.815  802.603  112.927 791.359  112.823 125.953 9.1459 125.043 9.2060 0.9099503      12.97683  
1 1 1 7   -12 3  o 56.873  1.2800 159.697  7.1854  172.618  9.9494  145.610  10.388  59.121  1.7050 54.293  1.9385 4.827393       2.581617  
1 1 1 7   -12 4  o 62.882  1.3537 195.234  8.4018  193.580  11.531  197.107  12.267  62.603  1.8661 63.167  1.9675 -0.5648384     2.711736  
1 1 1 7   -12 5  o 70.282  1.3626 243.888  9.4527  239.530  13.073  248.663  13.684  69.636  1.9020 70.949  1.9540 -1.313354      2.726879  
1 1 1 7   -12 6  o 181.712 2.5433 1632.26  45.616  1645.48  64.188  1618.77  64.838  182.302 3.5672 180.805 3.6332 1.496552       5.091659  
1 1 1 7   -12 7  o 40.181  1.3410 79.719   5.3184  101.703  9.5219  69.751   6.4117  45.369  2.1263 37.580  1.7286 7.789169       2.740307  
1 1 1 7   -12 8  o 169.793 2.3644 1425.03  39.625  1405.49  55.938  1444.71  56.140  168.490 3.3636 170.830 3.3295 -2.340012      4.732746  
1 1 1 7   -12 9  o 57.589  1.3559 163.765  7.7072  157.574  10.895  169.965  10.904  56.472  1.9546 58.653  1.8835 -2.180794      2.714408  
1 1 1 7   -12 10 o 109.762 2.2243 595.613  24.098  589.408  24.842  694.646  99.246  109.182 2.3051 116.812 8.6697 -7.629410      8.970901  
1 1 1 7   -12 11 o 79.491  1.3289 312.074  10.427  312.844  14.811  311.318  14.681  79.559  1.8861 79.365  1.8741 0.1935730      2.658860  
1 1 1 7   -12 12 o 77.589  1.3406 297.374  10.267  300.253  14.875  294.754  14.189  77.925  1.9339 77.213  1.8617 0.7114563      2.684416  
1 1 1 7   -12 13 o 79.778  1.4155 314.483  11.146  321.439  15.980  307.893  15.554  80.605  2.0086 78.890  1.9974 1.715675       2.832704  
1 1 1 7   -12 14 f 56.565  1.2765 158.080  7.1268  152.519  9.8195  164.270  10.360  55.532  1.7915 57.630  1.8212 -2.097466      2.554666  
1 1 1 7   -12 15 o 75.586  1.3615 282.340  10.158  297.101  14.625  268.580  14.120  77.487  1.9122 73.670  1.9418 3.816147       2.725225  
1 1 1 7   -11 0  o 146.367 6.5433 1066.57  94.530  1085.01  133.755 1048.17  133.618 146.704 9.2850 144.129 9.4447 2.574463       13.24436  
1 1 1 7   -11 1  o 146.861 2.1165 1065.43  30.680  1048.46  45.250  1079.87  41.739  145.604 3.1485 147.796 2.8612 -2.191162      4.254386  
1 1 1 7   -11 2  o 143.829 2.2355 1022.02  31.737  1053.35  44.779  990.404  44.986  145.943 3.1086 141.505 3.2209 4.438644       4.476282  
1 1 1 7   -11 3  f 88.337  1.4334 385.292  12.498  418.557  17.712  352.300  17.639  92.054  1.9493 84.448  2.1161 7.606056       2.877097  
1 1 1 7   -11 4  o 47.229  1.2623 110.123  5.8843  105.447  9.3946  113.141  7.5484  46.202  2.0601 47.867  1.5977 -1.664902      2.607009  
1 1 1 7   -11 5  o 157.588 2.0761 1226.81  32.292  1213.50  45.480  1240.33  45.857  156.654 2.9414 158.377 2.9335 -1.723587      4.154152  
1 1 1 7   -11 6  o 196.094 2.5853 1900.66  50.040  1953.71  67.771  1837.08  74.199  198.690 3.4557 192.595 3.9032 6.095398       5.213116  
1 1 1 7   -11 7  o 106.395 1.6554 559.017  17.384  588.468  22.905  519.003  26.698  109.138 2.1262 102.465 2.6398 6.673447       3.389625  
1 1 1 7   -11 8  o 75.522  1.3022 281.603  9.7070  288.274  13.811  275.090  13.646  76.396  1.8316 74.628  1.8525 1.768120       2.605108  
1 1 1 7   -11 9  o 160.172 2.2211 1267.75  35.115  1253.16  49.497  1282.54  49.825  159.145 3.1510 161.001 3.1354 -1.856369      4.445165  
1 1 1 7   -11 10 o 80.733  1.6074 321.899  12.809  331.339  15.849  304.123  21.749  81.893  1.9608 78.413  2.8101 3.480240       3.426542  
1 1 1 7   -11 11 o 166.299 2.1891 1366.96  35.932  1387.40  50.811  1346.50  50.822  167.411 3.0749 164.917 3.1221 2.494003       4.382106  
1 1 1 7   -11 12 o 193.258 2.4931 1847.71  47.557  1827.37  67.131  1868.19  67.382  191.954 3.5432 194.093 3.5172 -2.139023      4.992500  
1 1 1 7   -11 13 o 121.910 1.7375 734.538  20.908  754.328  29.721  715.152  29.417  123.455 2.4391 120.200 2.4795 3.254288       3.478054  
1 1 1 7   -11 14 o 40.990  1.3858 83.013   5.6069  85.083   7.8169  80.820   8.0467  41.477  1.9094 40.420  2.0169 1.057259       2.777347  
1 1 1 7   -11 15 o 63.399  1.2654 198.572  7.9187  189.341  11.081  208.205  11.320  61.875  1.8144 64.888  1.7675 -3.012550      2.533010  
1 1 1 7   -11 16 o 138.547 1.9124 949.738  26.152  935.810  36.614  964.246  37.368  137.354 2.7007 139.421 2.7154 -2.067444      3.829759  
1 1 1 7   -10 0  o 98.192  1.5602 476.024  15.122  466.173  21.429  485.794  21.341  97.149  2.2348 99.175  2.1802 -2.025398      3.122074  
1 1 1 7   -10 1  o 189.805 6.9462 1792.83  130.134 1803.86  184.048 1781.80  184.027 189.340 9.8824 188.154 9.9445 1.186920       14.01977  
1 1 1 7   -10 2  f 157.333 2.0882 1222.60  32.428  1213.84  44.074  1232.94  47.883  156.715 2.8493 157.924 3.0718 -1.209152      4.189851  
1 1 1 7   -10 3  o 126.380 2.3535 789.073  29.357  809.570  49.190  777.733  36.588  127.894 3.8966 125.431 2.9553 2.463371       4.890570  
1 1 1 7   -10 4  o 67.735  1.2090 226.493  8.0827  222.231  11.437  230.746  11.424  67.084  1.7273 68.358  1.6932 -1.273880      2.418735  
1 1 1 7   -10 5  o 23.504  1.3641 27.366   3.1511  38.568   6.4966  23.920   3.6033  27.837  2.3876 21.945  1.6762 5.891403       2.917223  
1 1 1 7   -10 6  o 69.351  1.2555 237.439  8.5943  231.127  11.391  245.780  13.095  68.414  1.6869 70.544  1.8807 -2.130127      2.526364  
1 1 1 7   -10 7  o 10.485  1.1581 5.4930   1.1784  4.5571   1.6389  6.4949   1.6957  9.4461  1.8238 11.364  1.5524 -1.917622      2.395052  
1 1 1 7   -10 8  o 125.115 1.7790 773.089  21.969  802.122  32.543  748.779  29.779  127.393 2.5881 123.093 2.4510 4.299339       3.564484  
1 1 1 7   -10 9  o 95.766  1.4152 452.820  13.377  461.441  18.909  444.182  18.927  96.652  1.9821 94.825  2.0222 1.826492       2.831600  
1 1 1 7   -10 10 o 99.635  1.5489 490.207  15.233  477.526  20.522  505.766  22.732  98.313  2.1148 101.169 2.2764 -2.856476      3.107189  
1 1 1 7   -10 11 o 146.718 1.9742 1063.46  28.590  1038.96  40.321  1088.23  40.545  144.940 2.8185 148.342 2.7691 -3.402344      3.951162  
1 1 1 7   -10 12 o 40.938  1.3714 82.758   5.5416  88.616   7.9407  77.196   7.7371  42.351  1.8996 39.476  1.9921 2.875500       2.752652  
1 1 1 7   -10 13 o 77.209  1.3251 294.391  10.099  286.245  14.251  302.606  14.312  76.107  1.8971 78.255  1.8529 -2.147202      2.651848  
1 1 1 7   -10 14 o 58.025  1.2690 166.283  7.2679  164.201  10.049  168.567  10.525  57.640  1.7662 58.398  1.8259 -0.7583237     2.540374  
1 1 1 7   -10 15 o 34.475  1.5976 58.740   5.4365  61.488   7.4498  55.609   7.9514  35.186  2.1554 33.425  2.4267 1.761009       3.245695  
1 1 1 7   -10 16 o 46.978  1.3585 109.041  6.2991  106.168  8.5422  112.466  9.3259  46.332  1.8679 47.680  1.9816 -1.348160      2.723229  
1 1 1 7   -10 17 o 149.353 2.0274 1103.93  29.888  1135.20  42.878  1074.38  41.683  151.241 2.8723 147.134 2.8702 4.106903       4.060554  
1 1 1 7   -9  0  o 107.870 1.6821 574.467  17.910  587.991  25.463  561.226  25.196  109.112 2.3643 106.599 2.3946 2.513298       3.365144  
1 1 1 7   -9  1  o 155.843 2.0845 1199.33  32.064  1244.14  44.252  1149.80  46.526  158.688 2.8252 152.537 3.0902 6.151154       4.187011  
1 1 1 7   -9  2  o 165.730 3.6589 1358.15  59.853  1358.15  59.853  0.0000   0.0000  165.730 3.6589 ?       ?      0.000000       3.658904  
1 1 1 7   -9  3  o 50.202  1.0771 124.403  5.3374  129.236  7.7940  120.134  7.3243  51.163  1.5434 49.329  1.5043 1.834038       2.155181  
1 1 1 7   -9  4  o 89.979  1.3790 399.691  12.247  414.697  17.531  385.386  17.116  91.638  1.9382 88.340  1.9630 3.298660       2.758609  
1 1 1 7   -9  5  o 162.721 2.1868 1307.87  35.122  1308.68  47.378  1306.87  52.330  162.714 2.9500 162.573 3.2611 0.1412354      4.397429  
1 1 1 7   -9  6  o 103.431 1.6337 528.234  16.679  498.497  25.949  549.166  21.771  100.437 2.6175 105.443 2.0919 -5.005997      3.350747  
1 1 1 7   -9  7  o 91.306  1.3575 411.591  12.234  423.647  17.396  399.792  17.209  92.617  1.9029 89.971  1.9379 2.646591       2.715959  
1 1 1 7   -9  8  o 45.137  1.1194 100.572  4.9872  103.717  6.8241  96.968   7.3064  45.832  1.5085 44.314  1.6705 1.518589       2.250768  
1 1 1 7   -9  9  o 151.207 2.0791 1129.40  31.030  1118.32  45.813  1138.79  42.179  150.380 3.0865 151.776 2.8155 -1.395935      4.177715  
1 1 1 7   -9  10 o 67.746  1.1625 226.566  7.7731  234.340  11.121  219.139  10.869  68.888  1.6355 66.616  1.6531 2.272179       2.325413  
1 1 1 7   -9  11 o 138.033 1.8471 941.051  25.166  944.307  35.525  937.770  35.656  138.217 2.6040 137.736 2.6227 0.4808044      3.695845  
1 1 1 7   -9  12 o 28.233  1.7483 39.519   4.8479  36.805   7.9990  41.095   6.0947  27.108  3.0421 28.758  2.1630 -1.650383      3.732662  
1 1 1 7   -9  13 o 124.780 1.7516 769.104  21.573  759.880  30.347  778.528  30.672  123.974 2.4800 125.486 2.4764 -1.512306      3.504699  
1 1 1 7   -9  14 o 114.509 1.6184 647.727  18.292  666.466  25.918  629.127  25.821  116.102 2.2616 112.797 2.3193 3.304573       3.239441  
1 1 1 7   -9  15 o 30.391  1.5401 45.748   4.6049  42.719   6.5780  48.659   6.4484  29.297  2.2930 31.299  2.0995 -2.001644      3.109003  
1 1 1 7   -9  16 o 98.880  1.5509 483.168  15.136  498.898  21.315  467.167  21.497  100.416 2.1506 97.160  2.2416 3.256371       3.106441  
1 1 1 7   -9  17 o 77.755  1.3356 298.692  10.250  308.794  14.755  289.270  14.250  79.016  1.8919 76.478  1.8877 2.538292       2.672625  
1 1 1 7   -9  18 o 57.506  1.3097 163.392  7.4341  172.241  10.464  154.375  10.563  59.013  1.7965 55.860  1.9159 3.152786       2.626401  
1 1 1 7   -8  0  o 196.726 3.2219 1912.05  62.561  1841.64  90.930  1975.34  86.208  192.944 4.7747 199.864 4.3700 -6.919983      6.472577  
1 1 1 7   -8  1  o 148.891 2.2913 1094.68  33.673  1099.17  47.517  1090.14  47.725  149.155 3.2276 148.540 3.2551 0.6152191      4.584030  
1 1 1 7   -8  2  o 203.133 2.8542 2038.29  57.226  2043.31  76.897  2032.05  85.673  203.307 3.8320 202.704 4.2820 0.6027374      5.746256  
1 1 1 7   -8  3  o 129.010 2.4983 822.024  31.812  822.024  31.812  0.0000   0.0000  129.010 2.4983 ?       ?      0.000000       2.498271  
1 1 1 7   -8  4  o 132.183 1.8085 862.669  23.596  863.433  32.684  861.836  34.100  132.215 2.5045 132.088 2.6155 0.1273041      3.621249  
1 1 1 7   -8  5  o 191.757 2.7529 1816.75  52.105  1891.35  70.890  1729.10  76.844  195.569 3.6724 186.939 4.1647 8.630035       5.552584  
1 1 1 7   -8  6  o 154.503 2.1348 1178.97  32.555  1213.79  43.184  1133.12  49.550  156.726 2.7916 151.389 3.3160 5.336975       4.334598  
1 1 1 7   -8  7  o 34.727  1.1362 59.529   3.8943  57.813   5.0719  61.993   6.0786  34.220  1.5016 35.433  1.7381 -1.213074      2.296916  
1 1 1 7   -8  8  o 16.564  2.3264 13.820   3.6985  13.710   5.2388  13.928   5.2222  16.352  3.3583 16.488  3.3236 -0.1362953     4.724904  
1 1 1 7   -8  9  o 155.752 2.0575 1198.21  31.631  1239.83  44.812  1156.88  44.654  158.372 2.8667 152.974 2.9574 5.397781       4.118796  
1 1 1 7   -8  10 o 116.173 1.6113 666.408  18.477  661.222  26.062  671.649  26.199  115.689 2.2823 116.598 2.2765 -0.9089813     3.223557  
1 1 1 7   -8  11 o 34.105  1.3527 57.427   4.5535  54.866   6.4586  59.958   6.4210  33.270  1.9756 34.792  1.8767 -1.521656      2.724894  
1 1 1 7   -8  12 o 102.733 1.4855 521.124  15.063  531.198  21.313  511.070  21.292  103.697 2.0823 101.711 2.1208 1.985397       2.972179  
1 1 1 7   -8  13 o 29.758  2.1986 43.994   6.4122  180.268  45.760  41.265   6.4761  59.462  7.9997 28.806  2.2968 30.65594       8.322887  
1 1 1 7   -8  14 o 138.364 1.8989 945.799  25.933  938.129  36.661  953.481  36.690  137.730 2.6968 138.854 2.6770 -1.124466      3.799878  
1 1 1 7   -8  15 o 45.561  1.1905 102.494  5.3537  109.906  7.8192  95.953   7.3456  47.167  1.6795 44.071  1.6886 3.095989       2.381665  
1 1 1 7   -8  16 o 70.348  1.2603 244.411  8.7514  252.513  12.430  236.448  12.324  71.480  1.7618 69.167  1.8051 2.313599       2.522346  
1 1 1 7   -8  17 o 35.936  1.4168 63.803   5.0254  68.066   7.7331  60.687   6.6118  37.032  2.1246 34.979  1.9224 2.052521       2.865222  
1 1 1 7   -8  18 o 70.454  1.2969 245.219  9.0187  265.294  12.935  226.227  12.581  73.249  1.7891 67.634  1.8846 5.615044       2.598588  
1 1 1 7   -8  19 o 16.601  3.3314 14.185   5.2689  13.111   7.6568  15.152   7.2615  16.002  4.6017 17.086  4.3071 -1.083920      6.302868  
1 1 1 7   -7  0  o 219.537 3.2283 2380.68  69.955  2411.38  98.993  2350.06  98.870  220.853 4.5412 218.022 4.5944 2.831024       6.459972  
1 1 1 7   -7  1  o 362.021 4.9355 6481.54  176.360 6450.40  269.336 6504.91  233.340 360.643 7.5663 362.391 6.5235 -1.747833      9.990216  
1 1 1 7   -7  2  o 160.292 2.4377 1268.69  38.567  1323.36  69.587  1244.45  46.335  163.617 4.3089 158.733 2.9574 4.884079       5.226143  
1 1 1 7   -7  3  o 295.530 4.3712 4318.16  127.508 4319.68  162.120 4315.69  206.460 295.416 5.5599 295.008 7.0904 0.4082642      9.010350  
1 1 1 7   -7  4  o 310.081 4.5707 4755.63  139.892 4621.48  197.859 4889.73  197.814 305.320 6.5655 314.096 6.3806 -8.775635      9.155215  
1 1 1 7   -7  5  o 151.519 2.1564 1133.64  32.250  1122.37  43.515  1147.38  48.035  150.729 2.9249 152.384 3.1936 -1.655533      4.330618  
1 1 1 7   -7  6  o 225.379 3.0351 2509.95  67.517  2536.51  95.901  2483.84  95.072  226.429 4.2910 224.064 4.2988 2.364288       6.073880  
1 1 1 7   -7  7  o 252.925 3.2289 3162.10  80.609  3180.50  109.237 3140.09  119.440 253.495 4.3658 251.802 4.8057 1.692520       6.492729  
1 1 1 7   -7  8  o 170.701 2.4642 1439.52  41.519  1443.46  57.030  1435.08  60.562  170.856 3.3818 170.338 3.6021 0.5186462      4.940786  
1 1 1 7   -7  9  o 186.799 2.6369 1724.27  48.619  1753.34  72.511  1700.53  65.532  188.225 3.9029 185.409 3.5809 2.815689       5.296743  
1 1 1 7   -7  10 o 81.778  1.3048 330.151  10.532  334.407  15.235  326.256  14.575  82.289  1.8758 81.281  1.8168 1.007385       2.611352  
1 1 1 7   -7  11 o 133.236 1.7930 876.647  23.579  840.680  32.818  915.028  33.901  130.432 2.5491 136.079 2.5240 -5.647049      3.587296  
1 1 1 7   -7  12 o 96.363  1.3957 458.454  13.275  445.185  18.659  472.051  18.889  94.938  1.9912 97.762  1.9575 -2.823990      2.792282  
1 1 1 7   -7  13 o 134.140 1.8233 888.667  24.141  945.964  34.309  832.481  33.974  138.352 2.5124 129.778 2.6523 8.574081       3.653294  
1 1 1 7   -7  14 o 45.925  6.7316 107.387  29.608  101.397  41.780  113.430  41.965  43.975  9.8681 46.641  9.4397 -2.665131      13.65600  
1 1 1 7   -7  15 o 100.194 1.5123 495.757  14.956  489.320  21.058  502.309  21.245  99.508  2.1440 100.821 2.1349 -1.312614      3.025657  
1 1 1 7   -7  16 o 52.046  1.2040 133.755  6.1853  121.813  8.2573  149.023  9.3365  49.656  1.6847 54.922  1.7223 -5.265411      2.409279  
1 1 1 7   -7  17 o 80.135  1.3261 317.177  10.489  333.595  15.183  302.186  14.508  82.150  1.8724 78.187  1.8799 3.963348       2.653323  
1 1 1 7   -7  18 o 49.849  1.2582 122.740  6.1905  137.139  8.9818  109.711  8.5441  52.671  1.7277 47.106  1.8376 5.565849       2.522237  
1 1 1 7   -7  19 o 38.400  1.6340 72.886   6.1932  72.414   10.299  73.153   7.7515  38.121  2.7556 38.398  2.0527 -0.2765884     3.436076  
1 1 1 7   -6  0  o 183.499 2.5321 1662.55  45.861  1674.18  64.795  1650.88  64.919  184.097 3.5658 182.810 3.5978 1.286804       5.065532  
1 1 1 7   -6  1  o 351.627 4.1470 6109.64  143.929 6153.89  203.553 6065.39  203.540 352.678 5.8474 350.127 5.8897 2.551666       8.299449  
1 1 1 7   -6  2  o 202.240 2.7064 2019.65  54.025  2004.47  76.395  2034.84  76.411  201.423 3.8426 202.945 3.8145 -1.522049      5.414449  
1 1 1 7   -6  3  o 160.598 2.4165 1273.45  38.306  1268.96  54.056  1277.98  54.289  160.279 3.4169 160.847 3.4196 -0.5684814     4.834106  
1 1 1 7   -6  4  o 108.297 2.4206 579.093  25.875  0.0000   0.0000  579.093  25.875  ?       ?      108.297 2.4206 0.000000       2.420634  
1 1 1 7   -6  5  o 155.676 2.5811 1196.77  39.660  1190.40  58.367  1202.24  54.057  155.204 3.8100 155.990 3.5109 -0.7861176     5.181012  
1 1 1 7   -6  6  o 68.202  1.2134 229.596  8.1681  240.738  11.182  216.848  11.961  69.833  1.6222 66.275  1.8284 3.558052       2.444304  
1 1 1 7   -6  7  o 138.771 1.9900 950.851  27.258  956.371  36.822  944.160  40.544  139.145 2.6810 138.240 2.9714 0.9051361      4.002121  
1 1 1 7   -6  8  f 193.378 3.0493 1847.97  58.203  1827.14  88.274  1863.99  77.414  192.115 4.6552 194.117 4.0404 -2.001450      6.164056  
1 1 1 7   -6  9  o 277.271 3.8820 3803.41  106.240 3706.86  158.433 3882.29  143.210 273.301 5.8732 279.865 5.1843 -6.564270      7.833979  
1 1 1 7   -6  10 o 138.305 1.9985 944.683  27.282  960.856  36.723  924.762  40.756  139.445 2.6681 136.777 3.0189 2.668304       4.028970  
1 1 1 7   -6  11 o 46.505  1.0874 106.757  4.9913  118.545  7.1287  95.421   6.9909  49.001  1.4739 43.961  1.6111 5.039761       2.183626  
1 1 1 7   -6  12 o 93.394  1.3776 430.626  12.699  409.013  17.553  454.359  18.394  91.003  1.9542 95.916  1.9429 -4.912491      2.755691  
1 1 1 7   -6  13 o 165.723 2.3091 1356.86  37.771  1332.54  49.607  1390.42  58.262  164.163 3.0615 167.639 3.5211 -3.476074      4.665910  
1 1 1 7   -6  14 f 175.769 2.2962 1526.45  39.837  1525.25  54.755  1527.81  58.066  175.609 3.1589 175.734 3.3476 -0.1244507     4.602763  
1 1 1 7   -6  15 o 158.803 9.5922 1276.71  149.646 1276.71  149.646 0.0000   0.0000  158.803 9.5922 ?       ?      0.000000       9.592162  
1 1 1 7   -6  16 o 22.132  1.8820 24.373   4.0722  20.852   5.5391  28.514   6.0072  20.336  2.8368 23.874  2.5908 -3.537594      3.841817  
1 1 1 7   -6  17 o 48.106  1.2796 114.278  6.0760  113.764  8.2073  114.901  9.0380  47.985  1.7328 48.219  1.8990 -0.2338066     2.570774  
1 1 1 7   -6  18 o 81.613  1.3846 329.017  11.154  333.799  15.715  324.163  15.834  82.168  1.9376 80.970  1.9812 1.197990       2.771228  
1 1 1 7   -6  19 o 56.153  1.3396 155.767  7.4245  165.579  11.174  148.012  9.9344  57.862  1.9566 54.713  1.8396 3.148895       2.685540  
1 1 1 7   -6  20 o 90.928  1.5211 408.610  13.652  422.827  19.870  395.898  18.789  92.429  2.1780 89.443  2.1282 2.985962       3.045131  
1 1 1 7   -5  0  o 208.955 2.6213 2155.80  54.064  2165.28  76.462  2146.33  76.454  209.366 3.7000 208.447 3.7159 0.9187469      5.243891  
1 1 1 7   -5  1  o 261.982 3.1818 3389.53  82.277  3438.21  116.382 3340.89  116.333 263.769 4.4702 260.004 4.5330 3.764984       6.366421  
1 1 1 7   -5  2  o 133.417 2.1219 878.739  27.943  918.259  32.698  771.734  53.804  136.378 2.4291 124.969 4.3619 11.40877       4.992658  
1 1 1 7   -5  3  o 122.466 2.0280 740.387  24.514  740.019  47.393  740.521  28.644  122.389 3.9232 122.471 2.3695 -0.8245087E-01 4.583247  
1 1 1 7   -5  4  o 155.271 2.1042 1190.20  32.249  1178.54  45.538  1201.93  45.676  154.484 2.9865 156.010 2.9662 -1.526733      4.209202  
1 1 1 7   -5  5  o 49.284  1.5447 119.893  7.5142  0.0000   0.0000  119.893  7.5142  ?       ?      49.284  1.5447 0.000000       1.544708  
1 1 1 7   -5  6  o 100.925 1.4617 502.779  14.561  492.472  20.752  512.776  20.437  99.875  2.1051 101.915 2.0316 -2.039459      2.925555  
1 1 1 7   -5  7  o 179.539 2.4184 1591.74  42.857  1546.66  60.461  1637.27  60.757  176.924 3.4622 182.038 3.3814 -5.113708      4.839519  
1 1 1 7   -5  8  o 130.636 1.8404 842.559  23.730  847.146  32.748  837.487  34.436  130.968 2.5333 130.213 2.6793 0.7545624      3.687303  
1 1 1 7   -5  9  o 142.817 2.0885 1007.22  29.441  961.116  42.608  1049.34  40.728  139.460 3.0953 145.736 2.8313 -6.275925      4.194917  
1 1 1 7   -5  10 o 236.247 3.3125 2759.23  77.241  2529.36  130.818 2882.26  95.705  225.773 5.8703 241.358 4.0174 -15.58406      7.113368  
1 1 1 7   -5  11 o 210.038 2.8135 2180.20  58.329  2173.60  82.456  2186.81  82.523  209.574 3.9861 210.212 3.9773 -0.6373901     5.630973  
1 1 1 7   -5  12 o 208.966 2.8192 2158.17  58.148  2152.70  82.194  2163.65  82.273  208.549 3.9930 209.080 3.9867 -0.5309296     5.642496  
1 1 1 7   -5  13 o 425.508 5.6653 8990.23  237.936 9129.71  336.519 8850.80  336.468 427.520 7.9748 420.859 8.0998 6.660889       11.36679  
1 1 1 7   -5  14 o 180.239 2.5232 1605.30  44.888  1551.39  65.229  1653.81  61.868  177.053 3.7325 182.843 3.4281 -5.790741      5.067897  
1 1 1 7   -5  15 o 106.103 1.5843 555.902  16.593  532.459  23.062  581.059  23.891  103.813 2.2507 108.448 2.2319 -4.635269      3.169674  
1 1 1 7   -5  16 o 140.808 2.9205 980.555  40.590  980.555  40.590  0.0000   0.0000  140.808 2.9205 ?       ?      0.000000       2.920539  
1 1 1 7   -5  17 o 76.638  1.3615 290.024  10.299  282.875  14.074  298.267  15.111  75.668  1.8844 77.695  1.9705 -2.027435      2.726542  
1 1 1 7   -5  18 o 83.704  1.4070 346.045  11.625  347.676  16.159  344.296  16.735  83.871  1.9520 83.457  2.0316 0.4138947      2.817389  
1 1 1 7   -5  19 o 97.472  1.6083 469.482  15.474  495.379  22.655  446.837  21.185  100.058 2.2939 95.033  2.2585 5.024864       3.219121  
1 1 1 7   -5  20 o 72.509  1.4513 259.772  10.387  266.879  15.617  254.135  13.909  73.442  2.1544 71.683  1.9658 1.759445       2.916487  
1 1 1 7   -5  21 o 31.624  1.9141 49.649   5.9465  56.735   9.7772  45.489   7.4913  33.684  2.9712 30.194  2.5372 3.489979       3.907091  
1 1 1 7   -4  0  o 367.663 9.3423 6707.64  339.028 6659.62  479.427 6755.68  479.490 365.327 13.296 367.980 13.201 -2.653564      18.73634  
1 1 1 7   -4  1  o 256.769 7.5798 3265.41  192.102 3246.32  271.627 3284.51  271.719 255.554 10.769 257.064 10.709 -1.509216      15.18693  
1 1 1 7   -4  2  o 306.965 8.2514 4670.03  250.005 4709.89  353.587 4630.17  353.533 307.629 11.645 304.992 11.744 2.636536       16.53847  
1 1 1 7   -4  3  f 304.170 8.3414 4586.03  250.430 4534.69  354.143 4637.39  354.181 301.783 11.889 305.211 11.757 -3.427856      16.72051  
1 1 1 7   -4  4  o 277.398 7.9723 3813.24  218.284 3867.96  308.740 3758.54  308.662 278.822 11.218 274.819 11.379 4.003937       15.97918  
1 1 1 7   -4  5  o 127.424 6.2708 803.493  78.870  821.681  111.564 785.320  111.514 128.386 8.8580 125.470 9.0655 2.916000       12.67470  
1 1 1 7   -4  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -4  7  o 172.907 6.7013 1480.77  114.369 1493.99  161.722 1467.55  161.762 173.109 9.5012 171.550 9.5917 1.559586       13.50088  
1 1 1 7   -4  8  o 124.919 3.0302 770.794  37.362  708.039  109.081 779.134  39.767  118.923 9.3688 125.586 3.2081 -6.663582      9.902851  
1 1 1 7   -4  9  f 203.135 2.6816 2038.13  53.767  2000.99  79.585  2069.31  72.927  201.174 4.0079 204.615 3.6109 -3.440903      5.394670  
1 1 1 7   -4  10 o 94.248  1.4379 438.499  13.376  432.708  18.224  445.263  19.695  93.612  1.9723 94.957  2.1013 -1.344894      2.881940  
1 1 1 7   -4  11 o 283.023 3.9054 3962.67  109.099 3882.54  164.182 4026.03  145.993 279.706 5.9469 285.016 5.1896 -5.309998      7.892854  
1 1 1 7   -4  12 o 90.453  1.4154 403.925  12.637  397.679  18.544  409.340  17.267  89.733  2.0937 91.044  1.9215 -1.311546      2.841763  
1 1 1 7   -4  13 o 203.246 2.6380 2041.25  52.921  2022.06  77.550  2057.97  72.397  202.139 3.8869 203.966 3.5961 -1.826813      5.295234  
1 1 1 7   -4  14 o 229.168 2.9320 2596.10  66.320  2597.36  97.755  2595.02  90.273  229.005 4.3248 228.961 3.9945 0.4353333E-01  5.887226  
1 1 1 7   -4  15 o 120.352 1.7075 715.261  20.284  728.560  29.092  702.679  28.297  121.429 2.4272 119.254 2.4040 2.174957       3.416213  
1 1 1 7   -4  16 o 97.234  1.5766 466.847  15.131  470.858  20.220  461.742  22.811  97.630  2.0983 96.666  2.3908 0.9636917      3.181002  
1 1 1 7   -4  17 o 308.530 4.0342 4717.52  122.853 4724.04  178.826 4711.70  169.065 308.020 5.8819 307.759 5.5656 0.2599792      8.097683  
1 1 1 7   -4  18 o 21.138  2.1487 22.312   4.4207  24.457   6.2041  20.099   6.3006  22.040  2.9241 19.879  3.3289 2.160788       4.430789  
1 1 1 7   -4  19 o 79.789  1.4813 314.480  11.666  332.796  17.117  298.593  15.941  82.041  2.1138 77.713  2.0782 4.327713       2.964318  
1 1 1 7   -4  20 o 47.353  1.5853 110.806  7.4097  106.466  11.915  113.542  9.4617  46.291  2.6186 47.916  2.0006 -1.624557      3.295339  
1 1 1 7   -4  21 o 76.636  1.5100 290.223  11.422  296.337  16.832  285.003  15.551  77.382  2.2037 75.900  2.0759 1.482399       3.027455  
1 1 1 7   -4  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -3  0  o 217.366 7.1572 2338.93  153.557 2378.27  217.158 2299.59  217.167 218.861 10.053 215.189 10.225 3.672745       14.33853  
1 1 1 7   -3  1  o 213.525 6.9806 2256.62  147.122 2601.07  208.287 1913.67  207.836 228.997 9.2151 195.948 10.788 33.04926       14.18765  
1 1 1 7   -3  2  o 158.829 6.4966 1248.10  101.848 1274.44  144.095 1221.81  143.974 160.041 9.1599 156.662 9.3535 3.378296       13.09169  
1 1 1 7   -3  3  o 202.855 6.9626 2036.70  139.409 2088.78  197.183 1984.65  197.126 205.150 9.7379 199.942 9.9887 5.208664       13.94990  
1 1 1 7   -3  4  o 425.463 10.210 8989.80  428.752 8972.41  606.354 9007.19  606.341 423.708 14.499 424.539 14.470 -0.8309326     20.48385  
1 1 1 7   -3  5  f 179.528 6.2624 1594.50  110.970 1642.45  156.989 1546.60  156.883 181.999 8.7391 176.351 9.0433 5.647476       12.57588  
1 1 1 7   -3  6  o 243.693 7.5121 2942.02  180.693 2876.09  255.496 3008.00  255.580 240.466 10.765 245.960 10.528 -5.494003      15.05675  
1 1 1 7   -3  7  o 413.307 10.080 8489.71  411.220 8505.87  581.552 8473.54  581.552 412.249 14.292 411.454 14.320 0.7951965      20.23162  
1 1 1 7   -3  8  f 275.867 11.319 3793.42  308.195 3662.93  435.831 3923.94  435.877 269.117 16.487 278.803 15.905 -9.686584      22.90840  
1 1 1 7   -3  9  o 281.254 8.0607 3927.82  223.770 3976.79  316.494 3878.87  316.424 282.155 11.364 278.617 11.506 3.537628       16.17217  
1 1 1 7   -3  10 o 116.640 1.6884 671.644  19.439  627.453  28.506  710.055  26.576  112.713 2.5623 119.914 2.2454 -7.200378      3.406900  
1 1 1 7   -3  11 o 316.611 3.7653 4956.82  117.667 4936.81  166.382 4976.85  166.431 315.659 5.3402 316.941 5.3201 -1.282135      7.537977  
1 1 1 7   -3  12 o 284.695 3.4410 4007.57  96.694  4001.01  136.734 4014.14  136.758 284.193 4.8745 284.661 4.8673 -0.4675903     6.888520  
1 1 1 7   -3  13 o 72.940  1.2002 262.630  8.6405  256.712  12.135  268.716  12.306  72.104  1.7051 73.771  1.6900 -1.666840      2.400723  
1 1 1 7   -3  14 o 167.785 2.1483 1390.52  35.578  1430.00  50.331  1351.08  50.299  170.083 2.9980 165.316 3.0826 4.767441       4.300050  
1 1 1 7   -3  15 o 22.312  2.1958 24.829   4.7732  25.802   6.5163  23.703   7.0114  22.651  2.9875 21.633  3.3955 1.018061       4.522714  
1 1 1 7   -3  16 o 25.879  1.9745 33.272   5.0055  36.700   7.0943  29.874   7.0634  27.117  2.6859 24.399  2.9960 2.718596       4.023641  
1 1 1 7   -3  17 o 139.505 1.9788 961.324  27.247  963.035  38.507  959.608  38.560  139.566 2.7953 139.317 2.8041 0.2493134      3.959392  
1 1 1 7   -3  18 o 61.375  1.4490 186.009  8.7779  184.264  13.409  187.318  11.611  61.062  2.2249 61.577  1.9104 -0.5150070     2.932541  
1 1 1 7   -3  19 o 72.497  1.4125 259.564  10.107  268.895  15.296  252.332  13.466  73.757  2.1011 71.459  1.9092 2.297951       2.838977  
1 1 1 7   -3  20 o 81.630  1.4477 329.167  11.664  350.175  18.079  314.187  15.267  84.143  2.1768 79.720  1.9402 4.423141       2.916001  
1 1 1 7   -3  21 o 54.035  1.5615 144.288  8.3280  128.647  12.110  158.321  11.471  50.976  2.4069 56.575  2.0542 -5.598427      3.164289  
1 1 1 7   -3  22 o 13.624  4.4386 8.9466   6.8502  11.583   17.027  8.4374   7.4824  17.981  6.8763 13.562  4.6434 4.418729       8.297279  
1 1 1 7   -2  0  o 390.550 4.9376 7538.33  190.337 7397.82  269.177 7678.85  269.178 386.607 7.0540 393.902 6.9234 -7.295685      9.883920  
1 1 1 7   -2  1  o 251.689 3.6959 3128.81  91.817  3173.70  129.847 3083.92  129.850 253.389 5.1917 249.774 5.2670 3.615326       7.395599  
1 1 1 7   -2  2  o 191.424 2.9340 1809.32  55.436  1784.72  78.399  1833.92  78.398  190.069 4.1789 192.674 4.1224 -2.604492      5.870064  
1 1 1 7   -2  3  o 353.728 4.9499 6183.90  172.823 5928.49  244.390 6439.40  244.428 346.077 7.1545 360.724 6.8650 -14.64664      9.915391  
1 1 1 7   -2  4  f 462.877 5.8013 10594.57 265.046 10576.92 374.768 10612.22 374.895 462.038 8.2177 462.811 8.2068 -0.7727661     11.61388  
1 1 1 7   -2  5  o 282.802 4.4383 3951.59  123.889 3971.77  175.280 3931.45  175.131 283.361 6.2670 281.916 6.2938 1.444519       8.881823  
1 1 1 7   -2  6  o 134.529 5.0546 894.554  67.117  888.131  94.858  900.993  94.978  133.745 7.2123 134.718 7.1685 -0.9726563     10.16877  
1 1 1 7   -2  7  o 221.379 7.2352 2427.19  158.095 2452.67  223.614 2401.73  223.546 222.153 10.198 219.818 10.303 2.334778       14.49667  
1 1 1 7   -2  8  o 175.958 6.5380 1532.48  113.551 1491.77  160.548 1573.23  160.622 173.079 9.4334 177.796 9.1841 -4.717178      13.16574  
1 1 1 7   -2  9  o 300.155 16.979 4560.56  500.953 4560.56  500.953 0.0000   0.0000  300.155 16.979 ?       ?      0.000000       16.97859  
1 1 1 7   -2  10 o 292.372 8.2208 4246.22  237.236 4175.63  335.482 4316.83  335.523 288.950 11.763 293.859 11.568 -4.908783      16.49783  
1 1 1 7   -2  11 o 120.168 1.8586 712.955  22.045  721.384  31.109  704.451  31.246  120.853 2.6079 119.424 2.6507 1.428398       3.718540  
1 1 1 7   -2  12 o 174.431 2.3417 1502.76  40.316  1435.04  59.519  1560.18  54.805  170.370 3.5394 177.678 3.1250 -7.307541      4.721536  
1 1 1 7   -2  13 o 100.930 1.4992 502.926  14.936  492.486  21.863  512.062  20.452  99.855  2.2182 101.827 2.0349 -1.971695      3.010182  
1 1 1 7   -2  14 o 57.714  1.1552 164.423  6.5808  148.312  8.8268  184.585  9.8742  54.807  1.6317 61.143  1.6362 -6.335938      2.310713  
1 1 1 7   -2  15 o 92.572  1.4209 423.080  12.983  421.757  18.018  424.509  18.725  92.411  1.9754 92.710  2.0462 -0.2985535     2.844135  
1 1 1 7   -2  16 o 71.606  1.2646 253.123  8.9381  263.622  12.310  241.415  12.999  73.066  1.7068 69.917  1.8837 3.149513       2.541969  
1 1 1 7   -2  17 o 125.357 1.7137 776.018  21.204  761.790  29.790  790.629  30.189  124.164 2.4307 126.493 2.4180 -2.329224      3.428561  
1 1 1 7   -2  18 f 136.504 2.5612 921.048  34.508  918.512  123.485 921.263  35.940  134.702 9.3455 136.510 2.6673 -1.808563      9.718714  
1 1 1 7   -2  19 o 26.549  2.2563 35.089   5.8566  24.826   8.9326  42.827   7.7563  21.998  4.2680 29.301  2.7126 -7.303432      5.057077  
1 1 1 7   -2  20 o 53.218  1.4780 139.892  7.7635  137.340  11.570  141.982  10.470  52.702  2.2243 53.596  1.9792 -0.8941917     2.977377  
1 1 1 7   -2  21 o 85.639  1.5738 362.400  13.303  379.403  18.990  346.013  18.642  87.574  2.1969 83.626  2.2585 3.948051       3.150733  
1 1 1 7   -2  22 o 15.208  3.8940 11.948   5.8703  9.4112   8.9519  13.862   7.7756  14.519  5.0732 16.433  4.6077 -1.914085      6.853309  
1 1 1 7   -2  23 o 52.026  6.5919 139.299  33.091  140.069  46.985  138.542  46.613  51.042  9.6804 50.767  9.6553 0.2751541      13.67240  
1 1 1 7   -1  0  o 263.784 3.8651 3436.96  100.632 3399.30  142.367 3474.56  142.264 262.218 5.5006 265.111 5.4367 -2.892303      7.733979  
1 1 1 7   -1  1  o 181.982 2.6909 1635.10  48.335  1659.29  68.398  1610.97  68.314  183.285 3.7808 180.595 3.8324 2.690277       5.383453  
1 1 1 7   -1  2  o 128.130 2.0165 810.413  25.502  817.857  33.865  800.661  38.761  128.705 2.6657 127.336 3.0839 1.369286       4.076378  
1 1 1 7   -1  3  o 273.992 4.0407 3708.49  109.276 3602.32  154.418 3815.01  154.663 269.904 5.7963 277.772 5.6411 -7.868134      8.088242  
1 1 1 7   -1  4  o 93.832  1.7012 434.589  15.755  431.979  22.284  437.199  22.279  93.542  2.4135 94.106  2.3985 -0.5636826     3.402670  
1 1 1 7   -1  5  o 264.360 3.4804 3451.41  90.814  3466.66  117.914 3429.19  142.379 264.880 4.5101 263.372 5.4770 1.508484       7.094950  
1 1 1 7   -1  6  o 242.000 3.0714 2891.81  73.364  2855.04  103.694 2928.66  103.811 240.389 4.3703 243.472 4.3198 -3.082626      6.144885  
1 1 1 7   -1  7  f 148.272 6.3023 1087.57  92.234  1030.13  130.419 1145.03  130.458 143.816 9.2364 151.723 8.7484 -7.907059      12.72190  
1 1 1 7   -1  8  o 232.927 7.3759 2687.46  169.576 2661.61  239.814 2713.31  239.821 231.367 10.501 233.620 10.400 -2.253036      14.77973  
1 1 1 7   -1  9  f 194.036 6.9189 1864.28  132.512 1869.83  187.414 1858.74  187.387 193.753 9.8321 193.170 9.8609 0.5825195      13.92505  
1 1 1 7   -1  10 o 191.952 7.5303 1826.89  142.672 1867.85  247.288 1806.45  174.676 192.768 13.074 190.646 9.2827 2.122375       16.03429  
1 1 1 7   -1  11 o 42.582  1.3958 89.505   5.8667  91.396   8.2104  87.533   8.3860  43.026  1.9333 42.106  2.0178 0.9196320      2.794503  
1 1 1 7   -1  12 o 115.487 1.6313 658.436  18.596  675.009  27.683  644.808  25.103  116.908 2.3990 114.269 2.2257 2.639427       3.272424  
1 1 1 7   -1  13 o 93.677  1.4356 433.219  13.274  421.827  18.426  445.508  19.138  92.424  2.0199 94.982  2.0413 -2.558296      2.871726  
1 1 1 7   -1  14 o 134.339 1.8755 891.184  24.869  910.582  35.142  871.722  35.199  135.755 2.6226 132.823 2.6848 2.932053       3.753185  
1 1 1 7   -1  15 o 152.450 2.1022 1147.89  31.633  1145.40  46.502  1150.04  43.155  152.214 3.0952 152.541 2.8663 -0.3267059     4.218480  
1 1 1 7   -1  16 o 78.951  1.3504 307.730  10.523  309.188  14.777  306.229  14.989  79.125  1.8920 78.744  1.9285 0.3805542      2.701655  
1 1 1 7   -1  17 o 160.354 2.3522 1270.40  37.229  1260.06  62.981  1275.96  46.156  159.532 3.9997 160.656 2.9107 -1.124252      4.946674  
1 1 1 7   -1  18 o 16.909  3.8905 14.724   6.3582  13.778   10.329  15.301   8.0679  16.897  5.4458 17.274  4.6354 -0.3769360     7.151451  
1 1 1 7   -1  19 o 94.516  6.4312 447.682  59.641  454.537  84.555  440.895  84.136  94.509  9.1802 93.035  9.2864 1.473946       13.05806  
1 1 1 7   -1  20 o 87.753  1.5780 380.363  13.668  378.596  19.593  382.039  19.076  87.510  2.2684 87.912  2.1984 -0.4016647     3.158884  
1 1 1 7   -1  21 o 69.340  1.5630 237.545  10.697  226.537  14.711  249.895  15.582  67.678  2.2023 71.081  2.2210 -3.402374      3.127754  
1 1 1 7   -1  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   -1  23 o 27.450  7.1156 39.717   19.439  42.720   27.995  36.920   27.012  28.716  8.9298 27.056  8.8139 1.660000       12.54700  
1 1 1 7   0   0  o 180.583 2.6697 1610.04  47.585  1646.19  63.717  1564.45  71.555  182.571 3.5358 177.960 4.0737 4.611359       5.394148  
1 1 1 7   0   1  o 190.949 2.8022 1800.28  52.813  1827.62  69.332  1762.50  81.518  192.363 3.6516 188.872 4.3727 3.490250       5.696895  
1 1 1 7   0   2  o 65.221  1.0969 209.947  7.0610  214.904  10.104  205.215  9.8717  65.984  1.5514 64.479  1.5511 1.504684       2.193779  
1 1 1 7   0   3  o 509.369 6.8993 12841.45 346.874 13006.89 490.557 12676.02 490.550 511.922 9.7085 505.331 9.8350 6.590546       13.81964  
1 1 1 7   0   4  o 115.606 1.7112 659.689  19.526  693.917  27.644  625.612  27.583  118.558 2.3623 112.570 2.4825 5.988091       3.426866  
1 1 1 7   0   5  o 167.635 2.6053 1387.40  43.108  1306.26  65.278  1450.15  57.406  162.613 4.0670 171.360 3.3940 -8.746841      5.297202  
1 1 1 7   0   6  o 42.278  0.9579 88.220   3.9972  84.375   5.9782  91.328   5.3755  41.346  1.4649 43.016  1.2661 -1.670464      1.936205  
1 1 1 7   0   7  o 214.489 2.9544 2271.61  62.546  2314.54  88.435  2228.64  88.473  216.454 4.1393 212.395 4.2202 4.058640       5.911335  
1 1 1 7   0   8  o 88.019  5.9794 384.929  51.640  376.206  72.973  393.680  73.087  86.689  8.6436 88.726  8.4475 -2.036789      12.08606  
1 1 1 7   0   9  o 189.490 6.8605 1777.82  128.314 1714.42  181.402 1841.31  181.524 185.488 9.9444 192.550 9.5512 -7.061890      13.78829  
1 1 1 7   0   10 o 433.019 14.876 9402.47  635.828 9522.44  899.170 9282.48  899.223 432.346 21.071 426.145 21.447 6.200317       30.06574  
1 1 1 7   0   11 o 413.016 6.1723 8446.96  251.622 8300.93  355.735 8593.18  355.959 408.715 8.8181 415.894 8.6713 -7.179626      12.36728  
1 1 1 7   0   12 o 274.689 3.4878 3728.81  94.564  3715.43  139.572 3740.17  128.572 273.977 5.1612 274.951 4.7376 -0.9741211     7.005910  
1 1 1 7   0   13 o 303.830 3.7744 4564.62  113.190 4499.01  166.852 4620.57  154.063 301.285 5.6107 305.440 5.1102 -4.154327      7.589116  
1 1 1 7   0   14 o 217.518 2.8291 2338.02  60.740  2335.69  82.521  2340.77  89.730  217.293 3.8476 217.483 4.1800 -0.1900330     5.681250  
1 1 1 7   0   15 f 39.690  1.4775 77.775   5.7883  70.560   7.6387  87.503   8.8703  37.742  2.0583 42.036  2.1450 -4.293980      2.972823  
1 1 1 7   0   16 o 28.738  1.2625 40.769   3.5812  51.173   6.9630  37.027   4.1759  32.111  2.2104 27.341  1.5538 4.769934       2.701859  
1 1 1 7   0   17 o 121.305 1.7449 726.640  20.892  743.931  30.824  711.946  28.414  122.699 2.5452 120.041 2.3982 2.658279       3.496990  
1 1 1 7   0   18 o 48.720  1.6010 117.208  7.6992  134.661  11.385  102.501  10.451  52.209  2.2094 45.488  2.3356 6.721420       3.215040  
1 1 1 7   0   19 o 119.993 1.8763 711.188  22.223  649.243  32.465  765.808  30.485  114.584 2.8705 124.476 2.4812 -9.892960      3.794194  
1 1 1 7   0   20 o 103.118 2.1985 525.529  22.376  531.046  23.131  445.145  88.292  103.654 2.2609 93.201  9.7417 10.45221       10.00058  
1 1 1 7   0   21 o 13.293  4.4182 8.3173   6.7749  7.3360   9.0715  9.5551   10.188  13.711  5.0666 15.040  5.3970 -1.329505      7.402585  
1 1 1 7   0   22 o 94.336  6.3110 449.843  58.425  469.190  82.863  430.716  82.390  95.256  8.9170 91.056  9.2975 4.199638       12.88241  
1 1 1 7   0   23 o 37.781  6.8627 74.398   24.649  84.187   35.448  65.233   34.299  39.610  9.2366 34.881  9.6409 4.728973       13.35147  
1 1 1 7   0   24 o 68.458  1.6647 231.703  11.249  244.478  17.545  222.786  14.657  70.237  2.5308 67.081  2.2137 3.155518       3.362354  
1 1 1 7   1   0  f 164.070 2.1056 1328.84  34.098  1371.23  48.320  1286.79  48.124  166.646 2.9377 161.432 3.0202 5.214294       4.213271  
1 1 1 7   1   1  o 159.740 1.9908 1259.59  31.389  1295.40  44.468  1224.03  44.315  161.977 2.7814 157.450 2.8515 4.526886       3.983363  
1 1 1 7   1   2  o 188.806 2.5976 1760.00  48.408  1877.53  69.918  1651.79  67.088  194.971 3.6332 182.871 3.7168 12.09938       5.197516  
1 1 1 7   1   3  o 286.369 4.0445 4051.23  114.319 4072.95  161.673 4029.52  161.670 286.993 5.7073 285.456 5.7379 1.537201       8.093056  
1 1 1 7   1   4  o 135.200 1.4887 902.231  19.866  964.182  28.348  842.448  27.848  139.757 2.0550 130.635 2.1597 9.121948       2.981196  
1 1 1 7   1   5  o 290.180 3.4839 4158.63  99.786  4182.44  141.140 4134.83  141.098 290.905 4.9155 289.243 4.9422 1.662598       6.970491  
1 1 1 7   1   6  o 172.054 2.9195 1461.66  49.580  1461.53  70.116  1461.79  70.116  172.004 4.1299 172.020 4.1296 -0.1551819E-01 5.840373  
1 1 1 7   1   7  o 118.672 1.6314 695.133  19.109  673.312  26.911  717.324  27.138  116.785 2.3346 120.543 2.2809 -3.757393      3.263852  
1 1 1 7   1   8  o 321.480 4.9879 5107.92  158.272 5152.00  223.941 5063.92  223.719 322.632 7.0322 319.855 7.0863 2.777191       9.983357  
1 1 1 7   1   9  o 101.140 5.5642 507.330  55.333  289.085  77.907  729.495  78.604  75.523  10.755 121.237 6.5934 -45.71416      12.61522  
1 1 1 7   1   10 o 268.405 7.8477 3570.12  207.905 3394.27  293.949 3746.15  294.096 261.111 11.405 274.424 10.858 -13.31265      15.74716  
1 1 1 7   1   11 o 89.748  2.0540 397.643  18.195  407.155  23.698  383.983  28.398  90.805  2.6441 88.170  3.2631 2.634460       4.199888  
1 1 1 7   1   12 o 106.771 1.4582 562.729  15.367  581.514  21.777  544.098  21.689  108.527 2.0330 104.977 2.0932 3.550804       2.917942  
1 1 1 7   1   13 o 192.381 2.4168 1827.85  45.891  1801.29  64.867  1854.46  64.932  190.908 3.4425 193.709 3.3961 -2.800903      4.835698  
1 1 1 7   1   14 o 85.075  1.3480 357.290  11.320  361.367  15.976  353.179  16.041  85.548  1.8920 84.572  1.9216 0.9755325      2.696725  
1 1 1 7   1   15 o 145.781 1.9341 1049.48  27.830  1014.47  39.162  1085.21  39.557  143.280 2.7691 148.196 2.7043 -4.916107      3.870564  
1 1 1 7   1   16 o 110.902 1.5648 607.264  17.129  601.093  24.472  613.190  23.983  110.312 2.2476 111.419 2.1808 -1.107513      3.131693  
1 1 1 7   1   17 o 130.209 1.8260 837.263  23.468  823.778  33.394  850.423  32.988  129.113 2.6204 131.189 2.5476 -2.076141      3.654662  
1 1 1 7   1   18 o 77.581  1.4056 297.157  10.763  302.158  15.741  292.766  14.751  78.214  2.0390 76.991  1.9410 1.222153       2.815137  
1 1 1 7   1   19 o 124.650 1.7873 767.361  21.990  762.947  31.698  771.455  30.532  124.242 2.5848 124.940 2.4758 -0.6986160     3.579233  
1 1 1 7   1   20 f 89.848  1.5744 398.670  13.963  375.258  19.590  422.844  19.906  87.139  2.2777 92.504  2.1802 -5.365471      3.152922  
1 1 1 7   1   21 o 47.798  6.5479 116.452  30.080  128.906  42.999  104.517  42.095  49.680  9.1045 44.458  9.8518 5.221798       13.41453  
1 1 1 7   1   22 o 56.737  6.3940 163.751  35.183  171.283  49.975  156.350  49.541  57.196  9.1615 54.456  9.5660 2.740501       13.24543  
1 1 1 7   1   23 o 40.624  2.4809 82.026   9.9002  86.193   12.945  76.155   15.367  41.555  3.1801 38.899  4.0623 2.655918       5.158982  
1 1 1 7   1   24 o 59.228  1.6735 173.420  9.7835  184.432  15.250  165.719  12.754  61.012  2.5324 57.859  2.2333 3.152809       3.376444  
1 1 1 7   2   0  o 137.008 1.5384 926.510  20.804  901.367  29.321  951.997  29.521  135.126 2.1984 138.870 2.1538 -3.743973      3.077602  
1 1 1 7   2   1  o 238.148 2.8531 2800.27  67.065  2741.08  94.802  2859.57  94.886  235.559 4.0774 240.601 3.9955 -5.042175      5.708703  
1 1 1 7   2   2  o 269.517 3.1394 3587.00  83.516  3637.11  118.128 3536.91  118.091 271.315 4.4111 267.547 4.4718 3.767914       6.281309  
1 1 1 7   2   3  o 386.986 5.1634 7402.86  197.226 7363.44  250.348 7467.35  320.213 385.760 6.5750 388.158 8.3579 -2.398071      10.63414  
1 1 1 7   2   4  o 295.965 3.4402 4326.11  100.498 4391.51  142.159 4260.77  142.093 298.089 4.8317 293.612 4.9030 4.476959       6.883652  
1 1 1 7   2   5  o 223.055 2.7095 2456.52  59.653  2403.15  84.329  2509.96  84.396  220.568 3.8735 225.421 3.7931 -4.852646      5.421380  
1 1 1 7   2   6  o 203.629 2.7875 2047.29  56.026  2080.20  79.240  2014.39  79.225  205.214 3.9120 201.938 3.9748 3.275391       5.576993  
1 1 1 7   2   7  o 338.228 5.6749 5656.18  189.453 5559.15  267.927 5753.21  267.927 334.994 8.1030 340.812 7.9647 -5.818329      11.36199  
1 1 1 7   2   8  o 114.431 2.7624 646.518  31.201  640.781  43.105  652.831  45.219  113.899 3.8342 114.961 3.9851 -1.062111      5.530124  
1 1 1 7   2   9  o 279.463 7.9990 3869.26  220.643 3894.85  312.055 3843.68  312.019 279.849 11.297 277.991 11.372 1.858490       16.02934  
1 1 1 7   2   10 o 290.632 8.1660 4187.77  234.255 4107.62  331.263 4267.95  331.308 287.148 11.688 292.750 11.466 -5.602020      16.37279  
1 1 1 7   2   11 f 245.036 5.6031 2969.99  135.516 3099.55  259.125 2921.22  158.991 249.605 10.518 242.904 6.6314 6.701019       12.43374  
1 1 1 7   2   12 o 186.570 2.6388 1718.93  48.594  1735.23  65.499  1698.98  72.472  187.406 3.5409 185.412 3.9600 1.994095       5.312260  
1 1 1 7   2   13 o 223.167 2.9092 2460.23  64.083  2479.42  94.898  2444.14  86.884  223.910 4.2939 222.346 3.9589 1.564240       5.840424  
1 1 1 7   2   14 o 309.216 4.0063 4729.26  122.274 4703.46  190.496 4747.34  159.457 307.876 6.2687 309.567 5.2186 -1.690399      8.156623  
1 1 1 7   2   15 o 217.085 3.0072 2329.16  64.435  2317.88  107.160 2335.55  80.642  216.275 5.0199 217.293 3.7600 -1.017471      6.271860  
1 1 1 7   2   16 o 211.675 3.0242 2214.86  63.184  2144.70  85.378  2299.81  93.947  208.145 4.1557 215.498 4.4168 -7.352524      6.064491  
1 1 1 7   2   17 o 92.981  1.4987 426.847  13.754  421.083  20.211  431.819  18.771  92.328  2.2178 93.504  2.0339 -1.176445      3.009239  
1 1 1 7   2   18 o 134.802 1.8697 897.430  24.878  949.521  35.710  848.307  34.678  138.614 2.6101 131.013 2.6817 7.600845       3.742159  
1 1 1 7   2   19 o 92.152  1.6111 419.334  14.655  374.586  20.738  463.965  20.711  87.066  2.4132 96.910  2.1652 -9.844032      3.242175  
1 1 1 7   2   20 o 74.921  2.1089 277.329  15.595  291.318  24.063  267.197  20.478  76.733  3.1771 73.508  2.8224 3.225937       4.249688  
1 1 1 7   2   21 o 63.214  6.3034 201.561  38.805  205.698  55.122  197.495  54.639  63.150  9.1066 61.817  9.2383 1.333069       12.97217  
1 1 1 7   2   22 o 76.291  1.5279 287.517  11.505  291.875  17.173  283.968  15.497  76.823  2.2648 75.788  2.0716 1.034729       3.069369  
1 1 1 7   2   23 o 78.266  1.5824 302.706  12.224  292.973  18.013  311.015  16.643  76.934  2.3721 79.291  2.1265 -2.356438      3.185740  
1 1 1 7   2   24 o 81.858  1.6691 331.241  13.485  317.841  19.524  343.466  18.649  80.107  2.4693 83.297  2.2682 -3.190109      3.352947  
1 1 1 7   2   25 o 88.645  1.7161 388.586  15.015  385.891  22.173  390.868  20.406  88.229  2.5461 88.829  2.3274 -0.5995941     3.449517  
1 1 1 7   3   0  o 182.621 6.7479 1650.09  121.633 1633.27  172.019 1666.91  172.010 181.194 9.6531 183.070 9.5524 -1.876160      13.58053  
1 1 1 7   3   1  o 141.458 1.7350 987.723  24.225  940.163  34.209  1035.56  34.308  137.998 2.5115 144.832 2.3999 -6.834198      3.473834  
1 1 1 7   3   2  o 291.372 3.8147 4193.44  109.710 4123.71  162.883 4251.35  148.429 288.786 5.7143 293.276 5.1275 -4.490173      7.677598  
1 1 1 7   3   3  o 489.782 6.4377 11868.48 311.218 12406.70 440.222 11330.72 440.037 500.191 8.9166 477.902 9.3286 22.28949       12.90464  
1 1 1 7   3   4  o 33.688  1.0272 56.011   3.4155  55.679   3.8942  57.119   7.1105  33.587  1.1746 33.949  2.1328 -0.3614235     2.434909  
1 1 1 7   3   5  o 248.798 3.5604 3057.26  87.434  3059.32  123.651 3055.20  123.650 248.787 5.0355 248.619 5.0388 0.1678314      7.123574  
1 1 1 7   3   6  o 390.014 4.9764 7517.96  191.571 7549.07  270.962 7486.87  270.882 390.537 7.0293 388.920 7.0565 1.616638       9.960166  
1 1 1 7   3   7  o 114.679 1.8389 649.162  20.815  633.651  29.437  664.674  29.437  113.289 2.6325 116.030 2.5704 -2.741165      3.679261  
1 1 1 7   3   8  f 134.641 3.2725 895.213  43.490  939.870  61.507  850.565  61.501  137.920 4.5182 131.196 4.7493 6.724060       6.555195  
1 1 1 7   3   9  o 168.804 6.6149 1409.96  110.214 1335.21  155.832 1484.77  155.901 163.743 9.6849 172.777 9.1747 -9.033493      13.34059  
1 1 1 7   3   10 o 61.820  7.0328 191.629  42.149  188.798  72.998  193.044  51.624  60.438  12.643 61.795  8.7051 -1.356796      15.35014  
1 1 1 7   3   11 o 112.296 1.5489 622.455  17.168  594.352  24.156  651.143  24.406  109.722 2.2304 114.846 2.1530 -5.123848      3.100062  
1 1 1 7   3   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   3   13 o 171.080 2.2020 1445.19  37.183  1507.01  52.693  1383.87  52.477  174.660 3.0565 167.366 3.1767 7.294830       4.408334  
1 1 1 7   3   14 o 173.093 2.8857 1480.23  49.302  1550.90  87.250  1447.09  59.756  176.985 4.9945 171.097 3.5384 5.887711       6.120919  
1 1 1 7   3   15 o 236.659 2.9831 2767.91  69.683  2802.75  96.767  2730.39  100.428 237.994 4.1193 234.869 4.3321 3.124878       5.977956  
1 1 1 7   3   16 o 296.327 3.5645 4343.25  104.258 4291.82  147.546 4394.53  147.339 294.230 5.0805 297.747 5.0134 -3.517639      7.137671  
1 1 1 7   3   17 o 32.896  1.3039 53.422   4.2335  48.338   9.7950  54.589   4.6947  31.098  3.2386 33.252  1.4304 -2.153677      3.540375  
1 1 1 7   3   18 o 126.852 1.8514 794.682  23.180  762.593  31.906  830.556  33.735  124.224 2.6021 129.639 2.6364 -5.415047      3.704275  
1 1 1 7   3   19 o 219.230 2.7916 2375.87  60.407  2406.16  85.543  2345.75  85.313  220.443 3.9315 217.651 3.9712 2.792084       5.588087  
1 1 1 7   3   20 o 76.489  6.2648 293.332  46.882  299.512  66.200  287.113  66.403  76.693  8.9114 75.003  9.1601 1.689995       12.77964  
1 1 1 7   3   21 o 71.454  6.2580 256.700  43.691  270.490  62.114  243.194  61.470  72.722  8.8349 68.772  9.2936 3.949608       12.82288  
1 1 1 7   3   22 o 106.488 6.3279 569.956  66.212  601.153  93.842  539.029  93.436  108.457 8.8430 102.461 9.3416 5.996841       12.86333  
1 1 1 7   3   23 o 62.747  1.6694 194.574  10.339  158.484  15.023  227.051  14.251  56.567  2.6906 67.752  2.1310 -11.18494      3.432287  
1 1 1 7   3   24 o 55.697  1.8173 153.395  9.9908  139.046  15.024  164.771  13.377  52.872  2.8898 57.688  2.3494 -4.815872      3.724301  
1 1 1 7   3   25 o 91.158  1.7000 410.883  15.296  400.933  22.584  419.317  20.791  89.942  2.5439 92.018  2.2891 -2.075912      3.422212  
1 1 1 7   4   0  o 232.770 3.0404 2675.38  69.855  2701.98  98.750  2648.74  98.830  233.864 4.2780 231.546 4.3243 2.317902       6.082829  
1 1 1 7   4   1  o 68.939  2.1760 234.610  14.807  238.105  15.417  193.110  53.126  69.450  2.2491 61.778  8.9749 7.671604       9.252453  
1 1 1 7   4   2  o 475.236 6.4954 11173.11 304.684 11200.61 451.534 11150.13 412.837 475.133 9.6281 474.264 8.8191 0.8695068      13.05670  
1 1 1 7   4   3  o 247.009 3.4419 3013.23  83.916  3001.39  125.433 3022.83  112.904 246.417 5.1571 247.333 4.6248 -0.9162903     6.927122  
1 1 1 7   4   4  o 184.597 2.7385 1682.47  49.897  1685.42  70.615  1679.52  70.515  184.717 3.8731 184.394 3.8744 0.3234253      5.478282  
1 1 1 7   4   5  o 297.036 3.9331 4358.37  115.313 4363.61  163.080 4353.12  163.074 297.077 5.5616 296.719 5.5681 0.3581238      7.869856  
1 1 1 7   4   6  o 304.019 3.9590 4565.73  118.800 4606.94  167.993 4524.49  168.024 305.249 5.5757 302.500 5.6275 2.749023       7.921947  
1 1 1 7   4   7  o 62.120  1.0257 190.456  6.2892  181.875  8.9798  198.718  8.8111  60.702  1.4987 63.451  1.4069 -2.748962      2.055615  
1 1 1 7   4   8  o 154.043 9.2195 1181.03  139.535 1206.52  197.340 1155.54  197.323 155.064 13.014 151.672 13.315 3.391937       18.61890  
1 1 1 7   4   9  o 195.475 6.9063 1891.14  133.251 1906.56  188.465 1875.72  188.426 195.994 9.7421 194.142 9.8655 1.851440       13.86495  
1 1 1 7   4   10 o 96.941  8.6852 469.687  82.222  441.145  116.281 498.228  116.278 93.177  12.997 99.299  12.115 -6.121223      17.76794  
1 1 1 7   4   11 o 370.171 4.3246 6771.21  158.009 6725.99  223.464 6816.43  223.454 368.693 6.1406 371.170 6.0993 -2.477020      8.654961  
1 1 1 7   4   12 o 263.591 3.2952 3431.94  85.733  3494.55  126.832 3379.26  116.337 265.853 4.8334 261.462 4.5079 4.390594       6.609340  
1 1 1 7   4   13 o 216.145 7.3384 2317.99  156.559 2317.99  156.559 0.0000   0.0000  216.145 7.3384 ?       ?      0.000000       7.338352  
1 1 1 7   4   14 o 220.217 2.7822 2395.64  60.474  2352.41  85.671  2438.57  85.377  218.112 3.9794 222.079 3.8949 -3.967651      5.568321  
1 1 1 7   4   15 o 104.168 1.6665 535.740  17.135  535.075  24.292  536.399  24.173  104.081 2.3646 104.211 2.3501 -0.1292953     3.333802  
1 1 1 7   4   16 o 182.194 2.4245 1639.89  43.600  1603.87  60.898  1677.76  62.451  180.091 3.4259 184.191 3.4351 -4.100540      4.851443  
1 1 1 7   4   17 o 49.736  1.6149 122.139  7.9279  155.948  12.319  98.240   10.358  56.187  2.2214 44.530  2.3650 11.65721       3.244642  
1 1 1 7   4   18 o 190.307 2.4488 1789.48  45.998  1779.32  65.128  1799.60  64.974  189.651 3.4792 190.732 3.4513 -1.081558      4.900644  
1 1 1 7   4   19 o 77.118  6.1714 297.706  46.582  323.091  65.398  271.564  66.366  79.894  8.4199 72.925  9.4418 6.968651       12.65080  
1 1 1 7   4   20 o 134.180 6.4598 897.205  85.554  900.266  120.825 894.128  121.160 133.441 9.2302 132.963 9.2904 0.4788818      13.09609  
1 1 1 7   4   21 o 119.889 1.8855 710.042  22.312  747.430  32.478  676.624  30.705  122.944 2.6764 116.978 2.6593 5.966850       3.772908  
1 1 1 7   4   22 o 175.414 2.3526 1521.49  40.732  1473.25  57.710  1569.37  57.498  172.432 3.3908 177.992 3.2728 -5.560577      4.712605  
1 1 1 7   4   23 o 29.934  3.9229 45.277   11.311  39.229   12.089  87.804   32.056  27.704  4.5810 40.869  8.2312 -13.16454      9.420119  
1 1 1 7   4   24 o 77.306  1.9508 295.585  14.886  285.166  18.907  312.572  24.142  75.875  2.5246 79.367  3.0818 -3.491272      3.983873  
1 1 1 7   4   25 o 46.994  2.1970 109.330  10.191  116.065  13.635  100.807  15.339  48.283  2.8741 44.888  3.4894 3.395184       4.520661  
1 1 1 7   5   0  o 186.533 2.4630 1717.79  45.348  1627.20  67.265  1793.26  61.400  181.505 3.7546 190.561 3.2644 -9.055908      4.975286  
1 1 1 7   5   1  o 255.678 3.1262 3227.98  78.895  3358.78  107.107 3072.84  116.651 260.750 4.1616 249.367 4.7393 11.38249       6.307150  
1 1 1 7   5   2  o 273.111 4.4232 3685.23  119.236 3718.85  130.787 3519.74  290.182 274.325 4.8302 266.134 11.047 8.190186       12.05663  
1 1 1 7   5   3  o 126.888 1.8978 794.761  23.769  808.138  33.583  781.336  33.645  127.939 2.6594 125.798 2.7097 2.140434       3.796672  
1 1 1 7   5   4  o 244.238 3.6059 2946.20  86.929  2929.76  122.983 2962.60  122.890 243.462 5.1178 244.825 5.0854 -1.363159      7.214788  
1 1 1 7   5   5  o 382.114 5.0575 7216.85  190.749 7144.77  269.741 7288.94  269.780 379.907 7.1934 383.733 7.1228 -3.825287      10.12318  
1 1 1 7   5   6  o 118.410 1.7080 692.083  19.962  699.086  28.155  685.005  28.306  118.998 2.3971 117.793 2.4346 1.205132       3.416665  
1 1 1 7   5   7  o 276.630 3.9418 3780.05  107.628 3826.27  152.209 3733.82  152.210 278.192 5.5432 274.804 5.6116 3.387787       7.887803  
1 1 1 7   5   8  o 356.665 9.1391 6308.99  321.734 6334.78  455.009 6283.20  454.991 356.519 12.930 355.050 12.983 1.468597       18.32351  
1 1 1 7   5   9  o 99.971  12.484 505.395  120.502 505.395  120.502 0.0000   0.0000  99.971  12.484 ?       ?      0.000000       12.48418  
1 1 1 7   5   10 o 246.631 4.6281 3006.04  112.663 3037.48  159.320 2974.59  159.339 247.751 6.5151 245.166 6.5846 2.585251       9.263009  
1 1 1 7   5   11 o 204.722 2.5686 2069.33  51.903  2011.12  76.693  2118.53  70.502  201.765 3.8510 207.104 3.4489 -5.338470      5.169653  
1 1 1 7   5   12 o 302.211 4.4650 4514.43  133.189 4583.56  227.389 4478.32  164.328 304.069 7.5764 300.874 5.5334 3.195923       9.381942  
1 1 1 7   5   13 o 251.695 4.1302 3131.62  102.607 3173.23  130.477 3064.18  166.109 253.238 5.2200 248.626 6.7688 4.611420       8.547818  
1 1 1 7   5   14 o 196.603 2.8199 1909.40  54.721  1922.35  68.479  1886.52  91.020  197.216 3.5179 195.253 4.7229 1.963104       5.889057  
1 1 1 7   5   15 o 54.040  1.5224 144.174  8.1202  114.679  11.761  171.043  11.225  48.119  2.4847 58.855  1.9323 -10.73581      3.147665  
1 1 1 7   5   16 o 138.436 1.9004 946.387  25.967  949.408  36.982  943.449  36.468  138.612 2.7031 138.179 2.6739 0.4337769      3.802139  
1 1 1 7   5   17 o 164.420 2.2114 1335.41  35.889  1336.11  51.541  1334.74  50.002  164.383 3.1766 164.308 3.0832 0.7533264E-01  4.426815  
1 1 1 7   5   18 o 90.383  1.5307 403.349  13.655  377.334  19.200  429.979  19.426  87.397  2.2257 93.299  2.1094 -5.902489      3.066502  
1 1 1 7   5   19 o 95.467  6.3208 455.531  59.224  473.115  83.878  438.050  83.633  96.719  8.8857 92.943  9.2389 3.775322       12.81840  
1 1 1 7   5   20 o 167.512 3.9150 1389.73  64.731  1486.35  159.492 1370.68  70.827  171.533 9.4567 166.296 4.3150 5.236649       10.39465  
1 1 1 7   5   21 f 48.227  1.5215 114.856  7.2428  102.936  14.433  118.868  8.3735  45.493  3.2354 49.058  1.7293 -3.564953      3.668549  
1 1 1 7   5   22 o 117.832 1.8173 685.970  21.136  697.032  30.485  675.730  29.330  118.711 2.6017 116.889 2.5422 1.822189       3.637549  
1 1 1 7   5   23 o 34.057  2.4507 57.684   8.1828  48.604   12.209  65.090   11.026  31.008  4.0887 36.107  3.1245 -5.098639      5.145931  
1 1 1 7   5   24 o 49.364  1.8865 120.500  9.1917  93.081   13.129  146.856  12.873  43.204  3.0995 54.463  2.3946 -11.25904      3.916733  
1 1 1 7   5   25 o 58.612  1.7506 169.876  10.128  158.416  14.731  180.148  13.946  56.530  2.6401 60.312  2.3427 -3.781406      3.529671  
1 1 1 7   5   26 o 41.439  2.2636 85.316   9.2235  78.608   14.278  90.120   12.083  39.544  3.7011 42.505  2.8973 -2.961033      4.700306  
1 1 1 7   6   0  o 75.095  1.6819 278.364  12.466  252.103  20.015  295.009  15.934  71.453  2.8380 77.304  2.0883 -5.851074      3.523531  
1 1 1 7   6   1  f 241.143 2.9729 2871.32  70.760  2963.44  100.122 2779.39  100.019 244.920 4.1416 237.185 4.2723 7.735031       5.950269  
1 1 1 7   6   2  o 176.897 2.7128 1545.01  47.367  1538.21  74.751  1549.56  61.229  176.451 4.2920 177.132 3.5021 -0.6814728     5.539482  
1 1 1 7   6   3  o 75.595  1.4447 282.060  10.780  291.328  13.260  263.997  18.511  76.825  1.7487 73.125  2.5647 3.699898       3.104116  
1 1 1 7   6   4  o 312.348 4.3254 4820.06  133.352 4656.44  199.264 4952.77  179.462 306.781 6.5806 316.487 5.7449 -9.705750      8.735468  
1 1 1 7   6   5  o 126.916 1.7929 795.090  22.460  779.656  33.660  807.478  30.155  125.663 2.7137 127.891 2.3888 -2.228668      3.615381  
1 1 1 7   6   6  o 186.266 2.2356 1712.78  41.101  1709.18  58.132  1716.37  58.120  186.043 3.1657 186.434 3.1584 -0.3912201     4.471817  
1 1 1 7   6   7  o 221.887 3.3219 2431.37  72.752  2376.77  118.861 2464.07  91.999  219.258 5.4923 223.332 4.1735 -4.074448      6.898034  
1 1 1 7   6   8  o 127.531 6.2248 804.544  78.356  859.512  110.814 749.578  110.812 131.401 8.5913 122.586 9.2259 8.815063       12.60666  
1 1 1 7   6   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   6   10 o 159.779 2.2015 1260.31  34.720  1295.70  49.178  1225.14  49.024  161.982 3.0759 157.507 3.1534 4.474792       4.405112  
1 1 1 7   6   11 o 286.039 3.4319 4041.23  96.894  3915.98  137.015 4166.54  137.044 281.448 4.9322 290.327 4.7823 -8.879333      6.869980  
1 1 1 7   6   12 o 187.873 2.3445 1742.69  43.476  1756.52  61.525  1728.90  61.443  188.576 3.3055 187.087 3.3274 1.489670       4.690146  
1 1 1 7   6   13 o 211.314 2.8771 2205.49  60.009  2122.85  84.831  2288.27  84.901  207.228 4.1474 215.163 3.9977 -7.935211      5.760432  
1 1 1 7   6   14 o 200.931 2.9451 1994.55  58.409  1955.30  97.424  2016.57  72.980  198.755 4.9661 201.980 3.6607 -3.225418      6.169487  
1 1 1 7   6   15 o 144.448 1.9684 1030.32  28.064  1076.39  39.828  984.896  39.552  147.603 2.7338 141.185 2.8382 6.418610       3.940662  
1 1 1 7   6   16 f 109.312 1.6666 589.988  17.982  593.632  25.096  586.143  25.779  109.624 2.3193 108.927 2.3977 0.6971283      3.335924  
1 1 1 7   6   17 f 149.762 2.1239 1107.85  31.395  1079.16  42.864  1141.06  46.114  147.752 2.9391 151.919 3.0753 -4.166718      4.253943  
1 1 1 7   6   18 o 43.013  9.3143 96.374   38.399  105.784  55.448  87.701   53.229  44.882  12.198 41.196  12.215 3.685265       17.26243  
1 1 1 7   6   19 o 25.823  6.7537 34.444   17.410  33.735   24.920  35.121   24.333  26.277  8.4578 26.597  8.3341 -0.3201580     11.87405  
1 1 1 7   6   20 o 60.887  1.7376 183.085  10.443  176.784  15.628  188.168  14.036  59.802  2.6476 61.710  2.3044 -1.907455      3.510046  
1 1 1 7   6   21 o 30.791  2.8655 47.294   8.6089  53.831   12.936  42.097   11.534  32.703  4.0977 28.846  4.1720 3.856350       5.847828  
1 1 1 7   6   22 o 146.850 2.3803 1066.18  34.501  1086.13  43.374  1031.80  56.928  148.144 2.9663 144.227 3.9989 3.916534       4.978994  
1 1 1 7   6   23 o 30.654  2.6470 46.852   7.9305  47.106   11.756  46.640   10.743  30.540  3.9958 30.444  3.6478 0.9557724E-01  5.410418  
1 1 1 7   6   24 o 108.958 2.4470 587.803  26.316  751.323  99.688  575.554  27.284  120.828 8.4112 107.800 2.5642 13.02804       8.793379  
1 1 1 7   6   25 o 89.759  1.7580 398.409  15.575  378.944  22.486  416.361  21.594  87.435  2.6055 91.682  2.3863 -4.247353      3.533130  
1 1 1 7   6   26 o 48.769  2.3617 117.853  11.369  122.994  15.069  111.060  17.321  49.657  3.0898 47.053  3.7609 2.604221       4.867358  
1 1 1 7   7   0  o 313.119 3.5223 4842.70  108.860 4890.78  153.983 4794.66  153.921 314.540 4.9598 311.428 5.0073 3.111237       7.047887  
1 1 1 7   7   1  o 130.076 1.8883 835.219  24.244  755.591  41.077  877.782  30.032  123.687 3.3647 133.341 2.2818 -9.654129      4.065454  
1 1 1 7   7   2  o 377.587 4.6053 7045.35  171.638 7029.81  233.615 7063.59  253.008 376.959 6.2787 377.787 6.7851 -0.8279114     9.244436  
1 1 1 7   7   3  o 417.281 5.9710 8611.73  245.929 8125.81  570.624 8722.58  272.540 403.289 14.335 419.862 6.5764 -16.57388      15.77163  
1 1 1 7   7   4  o 181.926 2.3661 1633.95  42.488  1706.66  57.550  1546.83  62.993  185.907 3.1363 176.971 3.6063 8.935989       4.779280  
1 1 1 7   7   5  o 149.746 2.2334 1106.98  33.011  1139.60  46.686  1074.37  46.684  151.914 3.1135 147.500 3.2066 4.414612       4.469484  
1 1 1 7   7   6  o 298.745 3.2859 4407.44  96.893  4416.71  137.051 4398.18  137.003 298.962 4.6445 298.333 4.6526 0.6285400      6.574018  
1 1 1 7   7   7  o 108.985 6.1074 589.356  65.434  568.323  92.517  610.409  92.560  106.693 8.8654 110.642 8.5417 -3.949226      12.31082  
1 1 1 7   7   8  o 118.512 6.1795 696.677  72.035  678.665  101.867 714.693  101.878 116.643 8.9155 119.749 8.6782 -3.106369      12.44178  
1 1 1 7   7   9  o 304.746 7.2456 4598.83  217.945 4732.39  308.222 4465.27  308.220 308.645 10.117 299.748 10.418 8.896515       14.52206  
1 1 1 7   7   10 o 63.301  1.6496 197.789  10.306  193.203  14.363  202.657  14.798  62.557  2.3262 64.069  2.3400 -1.512028      3.299480  
1 1 1 7   7   11 o 377.781 4.3894 7053.30  163.674 7097.31  231.509 7009.33  231.430 378.696 6.1936 376.335 6.2303 2.360687       8.785107  
1 1 1 7   7   12 o 142.947 1.9244 1008.76  27.152  988.727  38.339  1028.92  38.460  141.499 2.7451 144.347 2.6994 -2.848663      3.849953  
1 1 1 7   7   13 o 428.106 5.3646 9070.70  226.683 8969.68  320.563 9171.74  320.593 425.095 7.6400 429.884 7.5556 -4.788422      10.74509  
1 1 1 7   7   14 o 118.918 1.8412 698.194  21.612  674.612  29.472  725.625  31.786  116.870 2.5549 121.204 2.6570 -4.334297      3.686039  
1 1 1 7   7   15 o 249.944 4.0208 3090.50  99.195  2984.73  267.008 3107.43  106.841 243.709 11.100 250.582 4.3197 -6.872803      11.91083  
1 1 1 7   7   16 o 30.042  2.9861 45.050   8.7373  46.528   12.388  43.588   12.325  30.365  4.2497 29.349  4.3895 1.015425       6.109601  
1 1 1 7   7   17 o 80.954  1.7031 323.612  13.608  327.562  16.947  316.441  22.832  81.434  2.1084 80.010  2.8912 1.424698       3.578326  
1 1 1 7   7   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   7   19 o 120.587 1.7541 718.120  20.878  742.875  29.127  691.959  29.942  122.612 2.4067 118.325 2.5637 4.286491       3.516361  
1 1 1 7   7   20 o 65.161  1.3232 209.630  8.5103  205.069  12.332  213.778  11.759  64.433  1.9390 65.790  1.8109 -1.357605      2.653137  
1 1 1 7   7   21 o 119.929 1.8574 710.474  21.987  728.860  31.616  693.254  30.598  121.415 2.6382 118.414 2.6179 3.001167       3.716622  
1 1 1 7   7   22 o 111.598 1.8642 615.296  20.534  625.506  29.817  606.086  28.319  112.454 2.6863 110.703 2.5917 1.750786       3.732728  
1 1 1 7   7   23 o 47.069  1.9583 109.505  9.0977  101.824  13.115  116.631  12.631  45.248  2.9526 48.473  2.6501 -3.225117      3.967494  
1 1 1 7   7   24 o 73.085  1.8359 264.076  13.244  247.451  21.877  273.692  16.639  70.626  3.1383 74.369  2.2668 -3.742569      3.871309  
1 1 1 7   7   25 o 27.996  7.2734 41.475   20.280  43.721   29.021  39.332   28.353  29.000  9.1041 27.782  9.0290 1.218147       12.82212  
1 1 1 7   7   26 o 34.664  7.2494 63.647   24.006  55.982   34.601  70.761   33.334  32.345  9.9061 36.086  9.3003 -3.741009      13.58775  
1 1 1 7   8   0  o 54.444  0.8824 146.294  4.7419  160.386  6.8357  133.221  6.5836  57.004  1.2149 51.953  1.2839 5.051685       1.767581  
1 1 1 7   8   1  o 263.409 3.2143 3426.75  83.571  3568.31  120.953 3297.42  115.604 268.696 4.5606 258.298 4.5344 10.39825       6.431142  
1 1 1 7   8   2  o 124.866 1.6139 769.607  19.891  776.211  27.953  762.833  28.310  125.390 2.2585 124.303 2.3074 1.086166       3.228794  
1 1 1 7   8   3  o 61.346  1.0595 185.741  6.4152  174.241  10.626  192.337  8.0472  59.412  1.8120 62.425  1.3060 -3.012241      2.233634  
1 1 1 7   8   4  o 162.160 2.6203 1298.31  41.940  1157.01  141.809 1311.86  43.904  152.393 9.4746 163.001 2.7289 -10.60770      9.859748  
1 1 1 7   8   5  o 340.101 3.8214 5713.70  128.280 5687.79  181.426 5739.60  181.404 339.172 5.4193 340.716 5.3941 -1.544312      7.646306  
1 1 1 7   8   6  o 331.014 3.8106 5412.44  124.501 5447.98  183.836 5382.33  169.214 331.921 5.6113 329.962 5.1956 1.958923       7.647304  
1 1 1 7   8   7  f 122.768 7.1844 748.815  86.678  681.901  150.126 782.275  106.161 116.151 13.337 125.309 8.6360 -9.157104      15.88857  
1 1 1 7   8   8  o 253.438 8.8107 3186.03  220.401 3242.00  381.763 3158.04  269.929 253.922 15.304 251.992 10.852 1.929398       18.76107  
1 1 1 7   8   9  o 268.310 3.5502 3555.92  94.021  3354.29  132.833 3758.34  133.099 260.468 5.1668 275.736 4.8904 -15.26773      7.114209  
1 1 1 7   8   10 o 294.775 3.3877 4291.70  98.567  4122.68  139.324 4461.07  139.467 288.789 4.8878 300.425 4.7033 -11.63660      6.783167  
1 1 1 7   8   11 o 99.496  1.4825 488.635  14.559  514.498  20.924  464.363  20.270  102.087 2.0765 96.984  2.1175 5.102005       2.965759  
1 1 1 7   8   12 o 15.581  4.2132 12.397   6.6351  13.252   9.6101  11.617   9.1721  16.528  5.2452 15.670  5.1375 0.8585577      7.342066  
1 1 1 7   8   13 o 297.253 3.8415 4367.41  112.710 4264.13  159.477 4470.48  159.315 293.479 5.5054 300.519 5.3709 -7.040100      7.691302  
1 1 1 7   8   14 o 238.820 3.3733 2818.84  79.516  2905.03  118.575 2748.41  107.190 242.242 4.9592 235.671 4.6080 6.570694       6.769583  
1 1 1 7   8   15 o 111.159 1.7133 610.079  18.798  661.094  26.167  555.680  27.021  115.693 2.2915 106.057 2.5813 9.635567       3.451678  
1 1 1 7   8   16 o 133.664 6.3343 888.043  83.569  872.471  118.244 903.584  118.125 131.674 9.1549 134.061 8.9790 -2.386032      12.82316  
1 1 1 7   8   17 o 171.201 6.7026 1459.45  113.262 1440.10  160.227 1478.77  160.127 169.003 9.6452 171.315 9.5070 -2.312073      13.54302  
1 1 1 7   8   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   8   19 o 136.265 2.0845 917.266  28.036  877.771  38.585  961.437  40.805  133.235 2.9340 139.438 2.9648 -6.202377      4.171176  
1 1 1 7   8   20 o 150.824 2.1199 1123.87  31.558  1137.31  44.972  1110.82  44.296  151.641 3.0046 149.866 2.9945 1.775589       4.242037  
1 1 1 7   8   21 o 43.861  1.5442 95.004   6.6851  93.560   12.347  95.603   7.9513  43.396  2.8993 43.994  1.8311 -0.5981026     3.429160  
1 1 1 7   8   22 o 77.807  1.7659 299.061  13.562  308.654  19.739  290.486  18.664  79.004  2.5313 76.647  2.4670 2.356598       3.534624  
1 1 1 7   8   23 o 54.324  1.8330 145.836  9.8283  130.888  14.075  160.059  13.730  51.345  2.7878 56.882  2.4454 -5.537060      3.708375  
1 1 1 7   8   24 f 133.231 2.0026 877.851  26.335  892.144  37.724  864.265  36.780  134.169 2.8486 132.061 2.8217 2.107758       4.009545  
1 1 1 7   8   25 o 15.007  5.7092 8.1081   11.699  5.9737   16.783  10.126   16.317  16.364  6.6460 17.311  6.7023 -0.9468060     9.438746  
1 1 1 7   8   26 o 124.872 6.4677 795.024  79.443  797.719  112.293 792.324  112.407 123.001 9.3185 122.544 9.3641 0.4570770      13.21066  
1 1 1 7   8   27 o 88.870  1.9296 391.022  16.926  411.887  26.813  377.199  21.824  91.009  2.9849 87.184  2.5360 3.824455       3.916817  
1 1 1 7   9   0  o 392.088 4.5683 7602.45  176.797 7714.62  250.069 7490.35  249.988 394.580 6.4208 388.779 6.5145 5.800507       9.146930  
1 1 1 7   9   1  o 64.842  1.0971 207.521  7.0219  198.719  11.531  212.710  8.8528  63.446  1.8412 65.646  1.3663 -2.199696      2.292794  
1 1 1 7   9   2  o 82.040  1.3193 332.207  10.683  314.960  18.231  341.228  13.184  79.871  2.3126 83.143  1.6066 -3.272636      2.815840  
1 1 1 7   9   3  o 336.844 4.4589 5607.56  148.248 5530.99  209.682 5684.09  209.627 334.294 6.3548 338.902 6.2667 -4.608551      8.924939  
1 1 1 7   9   4  o 40.330  1.2537 80.280   4.9905  78.782   7.3113  81.587   6.8287  39.949  1.8542 40.655  1.7017 -0.7057419     2.516718  
1 1 1 7   9   5  f 98.659  1.6334 480.455  15.906  302.996  70.805  489.887  16.324  77.560  9.4440 99.622  1.6601 -22.06239      9.588805  
1 1 1 7   9   6  o 180.864 6.7200 1619.35  119.965 1664.44  169.712 1574.32  169.601 182.853 9.4354 177.776 9.7021 5.076660       13.53359  
1 1 1 7   9   7  o 46.772  5.9699 109.975  26.932  106.809  38.250  113.088  37.927  45.637  8.8105 47.043  8.4800 -1.406002      12.22852  
1 1 1 7   9   8  o 190.614 2.6354 1793.98  49.582  1766.60  66.806  1827.56  73.982  189.117 3.5789 192.337 3.8970 -3.220139      5.291059  
1 1 1 7   9   9  o 126.416 2.6383 789.072  32.920  757.398  50.007  813.296  43.732  123.811 4.0921 128.320 3.4528 -4.508842      5.354164  
1 1 1 7   9   10 o 260.025 3.1165 3339.31  79.987  3271.50  113.105 3407.15  113.133 257.272 4.4540 262.559 4.3654 -5.287506      6.236627  
1 1 1 7   9   11 o 141.291 1.8528 985.505  25.839  993.588  36.626  977.496  36.458  141.850 2.6159 140.696 2.6253 1.153717       3.706083  
1 1 1 7   9   12 o 72.796  1.3319 261.572  9.5703  246.182  13.363  277.776  13.712  70.616  1.9173 75.011  1.8521 -4.395416      2.665715  
1 1 1 7   9   13 o 124.606 1.7898 766.545  22.013  798.237  31.351  735.728  30.916  127.134 2.4984 122.052 2.5663 5.081635       3.581603  
1 1 1 7   9   14 o 118.055 1.8407 688.125  21.448  731.539  31.907  652.335  28.970  121.691 2.6564 114.919 2.5540 6.772293       3.685002  
1 1 1 7   9   15 o 174.536 2.3992 1504.79  41.332  1487.81  56.245  1524.74  60.943  173.478 3.2848 175.596 3.5162 -2.117737      4.811812  
1 1 1 7   9   16 o 176.992 6.7768 1559.22  118.388 1572.69  167.358 1545.74  167.495 176.744 9.6296 175.184 9.7249 1.559555       13.68586  
1 1 1 7   9   17 o 205.624 7.1124 2108.44  144.352 2103.41  204.064 2113.48  204.225 204.300 10.120 204.796 10.103 -0.4953308     14.29964  
1 1 1 7   9   18 o 100.568 1.6668 499.448  16.545  479.043  23.795  518.549  23.021  98.458  2.4485 102.446 2.2766 -3.988525      3.343392  
1 1 1 7   9   19 o 169.965 2.3276 1427.48  39.048  1442.15  54.841  1412.40  55.612  170.734 3.2543 168.953 3.3348 1.780350       4.659502  
1 1 1 7   9   20 o 75.425  1.4835 280.914  11.044  258.705  15.396  304.458  15.852  72.360  2.1557 78.503  2.0458 -6.142754      2.971863  
1 1 1 7   9   21 o 96.989  1.6926 464.611  16.203  463.910  23.198  465.279  22.642  96.876  2.4260 97.023  2.3644 -0.1467743     3.387609  
1 1 1 7   9   22 o 61.416  1.4893 186.282  9.0281  162.117  13.079  208.278  12.478  57.266  2.3138 64.924  1.9472 -7.658875      3.024122  
1 1 1 7   9   23 o 72.258  1.7278 257.984  12.323  240.505  17.520  275.097  17.335  69.719  2.5459 74.578  2.3550 -4.859444      3.468089  
1 1 1 7   9   24 o 94.624  6.2839 452.794  58.356  453.650  82.554  451.939  82.502  93.523  9.0565 93.339  9.0696 0.1845932      12.81707  
1 1 1 7   9   25 o 54.111  6.4191 150.339  33.616  127.421  47.701  172.950  47.380  48.343  10.311 57.248  8.6550 -8.905231      13.46229  
1 1 1 7   9   26 f 34.537  3.5504 60.033   11.931  70.835   19.927  53.997   14.896  37.059  5.6246 32.468  4.7921 4.590508       7.389200  
1 1 1 7   9   27 o 49.782  2.5336 123.300  12.408  122.755  19.353  123.680  16.169  49.376  4.0055 49.718  3.3138 -0.3418541     5.198598  
1 1 1 7   10  0  o 167.507 2.0615 1385.45  34.084  1447.64  48.370  1324.12  48.037  171.184 2.8627 163.712 2.9728 7.472168       4.127068  
1 1 1 7   10  1  o 70.478  1.1053 245.173  7.6892  298.137  11.449  201.659  10.378  77.715  1.4926 63.914  1.6450 13.80113       2.221267  
1 1 1 7   10  2  o 189.366 2.3003 1770.61  42.996  1730.08  60.823  1811.09  60.788  187.138 3.2928 191.474 3.2165 -4.335739      4.603081  
1 1 1 7   10  3  o 144.782 1.9027 1034.81  27.191  1021.19  38.506  1048.36  38.401  143.803 2.7128 145.705 2.6702 -1.901901      3.806466  
1 1 1 7   10  4  o 156.995 1.8682 1216.73  28.950  1188.28  41.453  1243.81  40.448  155.125 2.7073 158.713 2.5820 -3.587708      3.741153  
1 1 1 7   10  5  o 287.802 5.4113 4096.89  153.720 3930.68  217.341 4263.26  217.445 281.563 7.8204 293.285 7.5115 -11.72220      10.84352  
1 1 1 7   10  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   10  7  o 283.293 5.3246 3969.20  148.886 3940.18  210.535 3998.23  210.579 281.950 7.5652 284.028 7.5114 -2.078094      10.66083  
1 1 1 7   10  8  o 182.526 2.3244 1644.87  41.876  1539.18  58.184  1758.46  60.318  176.525 3.3394 188.686 3.2387 -12.16068      4.651958  
1 1 1 7   10  9  o 198.732 2.5128 1950.10  49.290  1901.50  69.594  1999.02  69.818  196.188 3.5939 201.160 3.5164 -4.972458      5.028034  
1 1 1 7   10  10 o 301.475 3.8135 4491.00  113.478 4324.62  160.414 4657.65  160.549 295.640 5.4972 306.840 5.3010 -11.20010      7.636807  
1 1 1 7   10  11 o 107.459 1.4225 569.997  15.087  642.011  21.938  505.370  20.782  114.036 1.9491 101.173 2.0811 12.86304       2.851302  
1 1 1 7   10  12 o 146.113 2.0470 1054.08  29.521  1016.04  43.742  1085.90  40.006  143.410 3.0902 148.275 2.7335 -4.864975      4.125691  
1 1 1 7   10  13 o 160.665 2.2809 1274.77  36.171  1225.20  51.292  1323.81  51.017  157.454 3.3003 163.678 3.1578 -6.223206      4.567730  
1 1 1 7   10  14 o 42.453  1.2278 88.963   5.1446  79.547   7.2206  98.670   7.3318  40.138  1.8226 44.705  1.6616 -4.566833      2.466312  
1 1 1 7   10  15 o 27.675  1.4796 37.921   4.0271  44.821   5.7326  31.198   5.6586  30.064  1.9422 25.024  2.3173 5.039684       3.023556  
1 1 1 7   10  16 o 152.035 6.5420 1150.34  98.172  1151.51  138.704 1149.17  138.968 151.185 9.3407 151.022 9.3689 0.1631317      13.22970  
1 1 1 7   10  17 o 23.599  0.6776 27.488   1.5783  18.715   2.3531  34.663   2.1281  19.431  1.2333 26.500  0.8136 -7.069134      1.477456  
1 1 1 7   10  18 o 151.777 3.0485 1139.29  45.669  1109.16  48.035  1422.72  147.328 149.735 3.2502 168.047 8.9141 -18.31212      9.488129  
1 1 1 7   10  19 o 98.024  1.7145 474.542  16.588  503.702  24.048  448.073  22.911  100.955 2.4133 95.216  2.4378 5.739227       3.430328  
1 1 1 7   10  20 f 19.604  4.4431 19.820   8.3987  16.779   12.837  22.096   11.105  18.676  6.0757 20.701  5.3843 -2.025331      8.118132  
1 1 1 7   10  21 o 102.524 1.8061 519.227  18.277  502.218  26.564  534.517  25.187  100.775 2.6706 103.982 2.4540 -3.206421      3.626889  
1 1 1 7   10  22 o 37.092  2.4571 68.331   8.9450  70.727   13.463  66.438   11.969  37.596  3.6749 36.470  3.3628 1.126225       4.981312  
1 1 1 7   10  23 o 76.331  1.7807 287.915  13.416  263.341  19.329  310.758  18.636  72.941  2.6848 79.261  2.3821 -6.319847      3.589184  
1 1 1 7   10  24 o 158.507 6.7479 1269.79  105.573 1358.84  149.291 1180.70  149.315 161.977 9.3780 150.373 10.119 11.60358       13.79634  
1 1 1 7   10  25 o 143.401 2.2266 1018.27  31.516  1048.84  45.819  990.820  43.420  145.280 3.1952 141.228 3.1148 4.051605       4.462244  
1 1 1 7   10  26 o 114.120 2.5048 645.869  28.214  736.880  36.345  507.851  44.758  121.760 3.0242 100.648 4.5053 21.11143       5.426226  
1 1 1 7   10  27 o 42.297  3.5124 89.847   14.531  114.030  40.792  86.333   15.551  45.638  9.3694 41.383  3.8514 4.254620       10.13012  
1 1 1 7   11  0  o 154.490 1.8495 1178.48  28.203  1150.80  39.910  1206.09  39.859  152.624 2.6493 156.251 2.5845 -3.626938      3.701128  
1 1 1 7   11  1  o 161.846 2.0211 1293.42  32.287  1327.28  45.801  1259.98  45.521  163.907 2.8310 159.695 2.8879 4.212601       4.044114  
1 1 1 7   11  2  o 140.491 1.8026 974.461  24.997  985.947  35.411  963.054  35.291  141.290 2.5392 139.639 2.5605 1.650833       3.606058  
1 1 1 7   11  3  o 132.794 1.4030 870.465  18.389  860.164  25.945  880.864  26.067  131.992 1.9915 133.571 1.9772 -1.579163      2.806297  
1 1 1 7   11  4  o 207.295 2.3592 2121.85  48.271  2009.94  68.093  2234.88  68.438  201.695 3.4204 212.693 3.2600 -10.99796      4.725077  
1 1 1 7   11  5  o 18.921  5.7806 17.745   11.791  14.989   16.622  20.535   16.727  19.088  6.8886 20.919  6.9417 -1.831301      9.779594  
1 1 1 7   11  6  f 44.545  6.1133 100.072  26.170  99.289   36.844  100.868  37.178  43.935  8.8029 44.290  8.8146 -0.3549423     12.45746  
1 1 1 7   11  7  o 244.730 3.7205 2959.42  89.873  3010.26  96.601  2632.14  245.100 246.803 3.9655 229.767 10.807 17.03615       11.51195  
1 1 1 7   11  8  o 136.829 1.8934 924.263  25.571  974.255  37.495  880.795  34.963  140.457 2.7046 133.552 2.6523 6.905167       3.788097  
1 1 1 7   11  9  o 192.809 2.3404 1835.61  44.540  1894.10  60.560  1766.70  65.736  195.818 3.1333 189.095 3.5220 6.722397       4.714026  
1 1 1 7   11  10 o 191.406 2.4975 1809.19  47.183  1808.04  64.166  1810.54  69.623  191.294 3.3983 191.407 3.6852 -0.1126709     5.012919  
1 1 1 7   11  11 o 142.768 2.1884 1006.45  30.838  986.973  43.476  1026.18  43.750  141.341 3.1163 144.123 3.0754 -2.781769      4.378343  
1 1 1 7   11  12 o 169.139 2.2014 1412.72  36.752  1491.15  52.167  1335.43  51.784  173.724 3.0423 164.393 3.1914 9.330551       4.409163  
1 1 1 7   11  13 o 51.323  1.4818 130.035  7.5066  134.351  12.642  127.685  9.3294  52.153  2.4558 50.852  1.8587 1.301064       3.079904  
1 1 1 7   11  14 o 63.896  1.3802 201.553  8.7043  206.560  12.146  196.267  12.480  64.676  1.9026 63.042  2.0057 1.634144       2.764578  
1 1 1 7   11  15 o 263.927 7.8514 3477.42  204.534 3534.47  289.233 3420.36  289.277 264.593 11.075 260.186 11.264 4.406616       15.79655  
1 1 1 7   11  16 o 105.315 2.5599 548.123  26.610  567.964  37.647  528.312  37.619  107.135 3.5601 103.318 3.6889 3.817543       5.126615  
1 1 1 7   11  17 o 50.772  1.0166 127.247  5.0946  145.389  8.3219  116.372  6.4432  54.262  1.5538 48.549  1.3446 5.712399       2.054784  
1 1 1 7   11  18 o 95.757  1.7516 452.855  16.555  451.991  23.998  453.640  22.868  95.626  2.5426 95.808  2.4182 -0.1813431     3.508920  
1 1 1 7   11  19 o 193.645 2.5786 1853.72  49.286  1868.56  70.113  1839.22  69.295  194.253 3.6568 192.725 3.6428 1.528717       5.161586  
1 1 1 7   11  20 f 88.581  1.6636 387.538  14.546  395.116  20.962  380.500  20.201  89.409  2.3753 87.742  2.3325 1.666840       3.329080  
1 1 1 7   11  21 o 81.899  1.7640 331.330  14.259  328.011  21.526  333.925  19.035  81.438  2.6779 82.190  2.3464 -0.7513199     3.560449  
1 1 1 7   11  22 o 29.844  2.9650 44.521   8.6186  49.019   12.919  40.913   11.570  31.125  4.3217 28.396  4.2593 2.729006       6.067860  
1 1 1 7   11  23 o 91.827  13.590 455.848  119.458 455.848  119.458 0.0000   0.0000  91.827  13.590 ?       ?      0.000000       13.59036  
1 1 1 7   11  24 o 63.466  1.8612 199.162  11.659  209.015  26.154  196.718  13.025  64.652  4.1200 63.060  2.0926 1.592010       4.620971  
1 1 1 7   11  25 o 155.008 2.3687 1190.47  36.241  1203.03  52.145  1178.75  50.404  155.501 3.3974 153.953 3.3170 1.548111       4.748141  
1 1 1 7   11  26 o 87.073  2.0046 375.397  17.228  405.174  27.303  355.696  22.208  90.264  3.0645 84.653  2.6579 5.611191       4.056538  
1 1 1 7   11  27 o 13.717  5.1956 6.9598   9.6622  -1.1909  14.574  13.352   12.906  13.624  5.8954 17.193  6.0846 -3.569628      8.472178  
1 1 1 7   12  0  f 48.129  0.9842 114.339  4.6754  97.000   6.5175  132.722  6.7109  44.325  1.4897 51.851  1.3113 -7.525620      1.984595  
1 1 1 7   12  1  f 111.477 1.4229 613.507  15.656  602.456  22.106  624.628  22.176  110.450 2.0278 112.465 1.9977 -2.015129      2.846523  
1 1 1 7   12  2  o 91.604  1.1729 414.214  10.605  424.031  15.415  405.391  14.614  92.674  1.6852 90.615  1.6339 2.058708       2.347220  
1 1 1 7   12  3  o 166.451 2.0979 1368.15  34.466  1342.06  48.759  1394.20  48.727  164.805 2.9974 167.980 2.9388 -3.174988      4.197771  
1 1 1 7   12  4  o 105.257 6.1501 551.190  63.616  546.624  89.971  555.755  89.963  104.379 8.8154 105.268 8.7373 -0.8891525     12.41175  
1 1 1 7   12  5  o 276.753 7.9744 3808.03  217.833 3803.17  308.056 3812.90  308.067 275.545 11.327 275.902 11.312 -0.3573608     16.00831  
1 1 1 7   12  6  o 122.762 1.4929 743.949  18.090  746.252  25.670  741.677  25.496  122.937 2.1155 122.560 2.1076 0.3772430      2.986197  
1 1 1 7   12  7  o 221.335 2.7632 2419.73  60.366  2410.14  85.416  2429.29  85.325  220.803 3.9193 221.680 3.8996 -0.8771667     5.528770  
1 1 1 7   12  8  o 75.548  1.8017 281.778  13.435  290.552  13.890  154.472  52.910  76.715  1.8344 54.788  10.158 21.92731       10.32245  
1 1 1 7   12  9  o 191.068 2.4865 1802.96  46.893  1835.88  66.453  1770.32  66.182  192.738 3.4931 189.262 3.5428 3.476303       4.975231  
1 1 1 7   12  10 o 261.759 3.3455 3386.05  86.437  3445.12  117.580 3316.59  127.504 263.885 4.5142 258.845 4.9906 5.040344       6.729357  
1 1 1 7   12  11 o 205.331 2.5137 2082.45  50.945  2219.17  72.298  1947.60  71.799  211.887 3.4569 198.479 3.6650 13.40721       5.038092  
1 1 1 7   12  12 o 99.283  1.9455 486.734  19.065  499.815  23.457  461.275  32.724  100.595 2.3624 96.596  3.4322 3.999649       4.166689  
1 1 1 7   12  13 o 188.950 2.7685 1764.16  51.633  1844.37  73.056  1684.11  72.986  193.086 3.8333 184.486 4.0081 8.600235       5.546076  
1 1 1 7   12  14 o 204.932 7.0788 2091.74  143.186 2108.30  202.480 2075.18  202.512 204.806 10.016 203.160 10.099 1.645889       14.22377  
1 1 1 7   12  15 o 142.658 6.4418 1012.94  90.706  1041.50  128.255 984.368  128.301 143.783 9.0839 139.680 9.3601 4.103317       13.04335  
1 1 1 7   12  16 o 115.513 1.9640 659.087  22.392  680.107  31.693  638.135  31.642  117.292 2.7375 113.610 2.8217 3.682846       3.931450  
1 1 1 7   12  17 o 211.749 3.2413 2218.39  67.745  2272.53  95.694  2163.99  95.918  214.061 4.5291 208.858 4.6528 5.202637       6.493207  
1 1 1 7   12  18 o 142.272 2.1918 1000.16  30.780  974.525  41.569  1031.28  45.796  140.362 3.0004 144.368 3.2138 -4.005585      4.396719  
1 1 1 7   12  19 o 174.051 3.3532 1499.53  57.606  1926.36  173.801 1446.85  61.057  195.464 9.0085 170.924 3.6191 24.53966       9.708302  
1 1 1 7   12  20 o 65.078  1.4293 209.136  9.1809  192.768  13.085  225.009  12.885  62.458  2.1225 67.486  1.9344 -5.028656      2.871697  
1 1 1 7   12  21 o 64.246  2.1408 203.999  13.576  204.898  17.519  202.648  21.478  64.357  2.7579 63.872  3.4193 0.4856606      4.392947  
1 1 1 7   12  22 o 34.213  7.1815 60.970   23.479  46.066   32.822  76.589   33.600  30.289  9.7021 38.093  9.0671 -7.803984      13.27944  
1 1 1 7   12  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   12  24 o 97.084  1.9608 466.182  18.789  468.238  28.948  464.685  24.700  97.151  3.0188 96.849  2.5838 0.3018951      3.973541  
1 1 1 7   12  25 o 46.588  1.8134 107.373  8.3386  103.655  9.6520  118.314  16.557  45.753  2.1373 48.627  3.4725 -2.874691      4.077546  
1 1 1 7   12  26 o 8.0207  2.7176 2.9588   2.5627  2.6699   2.6028  12.110   14.649  7.8048  2.7351 17.295  6.4291 -9.490084      6.986694  
1 1 1 7   12  27 o 29.240  4.3645 43.847   12.211  43.004   17.939  44.574   16.667  28.414  6.5331 29.061  6.0091 -0.6475716     8.876390  
1 1 1 7   13  0  o 176.596 2.1934 1540.54  38.232  1497.22  54.072  1583.86  54.065  174.008 3.1482 178.982 3.0604 -4.973419      4.390599  
1 1 1 7   13  1  o 96.072  1.3140 455.662  12.461  431.956  17.800  478.444  17.449  93.522  1.9283 98.431  1.7960 -4.908562      2.635136  
1 1 1 7   13  2  o 112.249 1.6025 622.107  17.754  609.991  25.365  633.744  24.859  111.122 2.3126 113.269 2.2235 -2.146950      3.208146  
1 1 1 7   13  3  o 45.173  6.2455 103.248  27.102  91.000   38.359  115.456  38.297  41.813  9.5093 47.387  8.5002 -5.573521      12.75464  
1 1 1 7   13  4  o 168.135 6.6528 1404.87  110.408 1424.91  156.198 1384.86  156.082 168.491 9.4300 166.059 9.5630 2.432007       13.43044  
1 1 1 7   13  5  o 62.851  1.3144 195.002  8.1540  209.062  11.979  182.863  11.131  65.069  1.8651 60.856  1.8531 4.213387       2.629169  
1 1 1 7   13  6  o 310.371 3.7750 4763.66  115.647 4908.14  157.414 4594.24  170.462 314.788 5.0663 304.416 5.6732 10.37231       7.606099  
1 1 1 7   13  7  o 309.781 3.6882 4744.94  112.773 4852.75  159.622 4637.51  159.349 312.997 5.1668 305.952 5.2767 7.044556       7.385054  
1 1 1 7   13  8  o 292.484 4.0051 4231.27  115.624 4278.35  172.286 4192.69  155.963 293.716 5.9428 290.877 5.4322 2.839020       8.051437  
1 1 1 7   13  9  o 211.007 3.7355 2201.67  77.799  2200.30  83.912  2210.10  207.641 210.906 4.0309 210.133 10.011 0.7737274      10.79223  
1 1 1 7   13  10 o 113.975 1.7200 641.376  19.349  657.707  28.323  627.083  26.496  115.389 2.4868 112.675 2.3825 2.714165       3.443837  
1 1 1 7   13  11 o 80.899  1.7981 323.158  14.358  319.126  17.611  331.152  24.796  80.382  2.2197 81.854  3.0692 -1.471405      3.787722  
1 1 1 7   13  12 o 75.742  1.3330 283.208  9.9652  283.862  14.095  282.555  14.091  75.818  1.8835 75.643  1.8873 0.1749268      2.666337  
1 1 1 7   13  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   13  14 o 186.884 6.8895 1740.63  127.085 1718.81  179.736 1762.45  179.715 184.502 9.9058 186.891 9.7763 -2.388474      13.91769  
1 1 1 7   13  15 o 78.873  1.7042 307.219  13.267  305.164  18.844  309.239  18.682  78.582  2.4295 79.107  2.3927 -0.5245590     3.409891  
1 1 1 7   13  16 o 126.997 2.0347 796.755  25.505  828.028  36.032  765.352  36.107  129.405 2.8210 124.401 2.9406 5.004204       4.074948  
1 1 1 7   13  17 o 92.179  1.8302 419.697  16.651  418.925  23.882  420.428  23.229  92.052  2.6284 92.222  2.5519 -0.1696777     3.663471  
1 1 1 7   13  18 o 88.093  1.7968 383.325  15.623  387.995  22.154  378.706  22.036  88.590  2.5336 87.522  2.5508 1.067894       3.595241  
1 1 1 7   13  19 o 60.061  1.6457 178.167  9.7564  175.280  12.215  183.253  16.214  59.559  2.0779 60.873  2.6985 -1.314045      3.405833  
1 1 1 7   13  20 o 84.442  6.2500 357.965  51.722  336.422  72.875  379.832  73.419  81.022  9.2800 86.320  8.7375 -5.298904      12.74607  
1 1 1 7   13  21 o 80.721  3.7983 323.134  30.263  453.957  77.623  299.686  32.863  94.440  8.4154 77.566  4.3094 16.87419       9.454670  
1 1 1 7   13  22 o 129.333 6.5973 841.587  83.939  854.442  118.441 828.616  118.976 129.088 9.3593 127.010 9.5606 2.078377       13.37915  
1 1 1 7   13  23 o 15.047  5.9569 6.3002   13.132  5.2119   19.495  7.2042   17.768  17.275  7.1060 17.113  6.8774 0.1620083      9.889081  
1 1 1 7   13  24 f 58.401  2.5784 169.012  14.863  166.571  20.271  171.849  21.858  57.762  3.5731 58.631  3.7974 -0.8686981     5.214116  
1 1 1 7   13  25 o 38.675  4.1310 75.616   15.526  90.201   24.834  66.258   19.892  41.712  6.2223 35.742  5.8403 5.969955       8.533795  
1 1 1 7   13  26 o 52.743  1.7236 137.657  8.9729  139.562  10.228  131.290  18.697  53.087  1.9519 51.126  3.7307 1.960228       4.210505  
1 1 1 7   13  27 o 47.726  1.8279 112.792  8.6109  120.844  20.322  111.031  9.5065  48.865  4.2559 47.333  2.0348 1.531773       4.717334  
1 1 1 7   14  0  o 54.994  1.0142 149.289  5.5053  152.551  8.5471  146.975  7.1972  55.583  1.5579 54.562  1.3364 1.021660       2.052574  
1 1 1 7   14  1  o 234.839 2.8952 2726.49  67.110  2762.58  95.082  2690.65  94.736  236.186 4.0786 233.083 4.1178 3.103043       5.795824  
1 1 1 7   14  2  o 39.868  1.6014 78.484   6.3018  76.164   9.7092  80.172   8.2838  39.178  2.5242 40.233  2.0932 -1.054581      3.279205  
1 1 1 7   14  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   14  4  o 99.433  1.9483 488.289  19.122  486.024  27.331  490.461  26.762  99.164  2.7924 99.619  2.7217 -0.4552383     3.899383  
1 1 1 7   14  5  o 157.220 2.0608 1220.84  31.980  1244.08  43.736  1194.14  46.882  158.658 2.7928 155.419 3.0561 3.239151       4.140007  
1 1 1 7   14  6  o 107.795 1.4628 573.677  15.564  545.545  22.316  600.316  21.717  105.096 2.1513 110.252 1.9956 -5.155838      2.934396  
1 1 1 7   14  7  o 218.790 3.1335 2366.47  67.670  2367.78  85.041  2364.20  111.733 218.742 3.9388 218.361 5.1841 0.3809509      6.510666  
1 1 1 7   14  8  o 134.401 1.8616 892.013  24.695  924.442  35.124  860.310  34.729  136.783 2.6016 131.950 2.6665 4.833801       3.725390  
1 1 1 7   14  9  o 84.083  1.4831 349.047  12.308  356.111  17.711  342.449  17.118  84.912  2.1132 83.268  2.0827 1.643791       2.967025  
1 1 1 7   14  10 o 143.882 1.9906 1022.42  28.270  1035.39  40.133  1009.66  39.827  144.740 2.8092 142.930 2.8231 1.810287       3.982630  
1 1 1 7   14  11 o 70.466  1.3362 245.139  9.2934  249.572  13.839  241.499  12.542  71.086  1.9724 69.931  1.8170 1.155174       2.681788  
1 1 1 7   14  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   14  13 o 219.014 7.2724 2394.47  157.211 2453.55  222.423 2335.49  222.237 220.481 10.221 214.992 10.473 5.489182       14.63346  
1 1 1 7   14  14 o 113.823 1.7115 639.822  19.228  656.035  27.115  623.423  27.270  115.219 2.3843 112.314 2.4599 2.905151       3.425765  
1 1 1 7   14  15 o 188.430 2.5059 1755.00  46.606  1762.85  65.861  1747.13  65.961  188.705 3.5360 187.858 3.5573 0.8469543      5.015770  
1 1 1 7   14  16 o 20.802  1.4238 21.467   2.9057  27.064   4.1452  16.060   4.0744  23.337  1.8138 17.871  2.3682 5.466379       2.982967  
1 1 1 7   14  17 o 121.609 2.0355 730.677  24.433  731.054  35.083  730.322  34.046  121.567 2.9238 121.514 2.8386 0.5274200E-01  4.075124  
1 1 1 7   14  18 o 236.809 3.5520 2777.60  83.023  2788.49  117.578 2766.77  117.249 236.843 5.0296 235.917 5.0352 0.9260406      7.116872  
1 1 1 7   14  19 o 106.121 1.9368 556.423  20.287  565.764  28.773  547.189  28.608  106.949 2.7257 105.176 2.7557 1.772873       3.876025  
1 1 1 7   14  20 o 184.071 2.5478 1675.72  46.289  1689.39  65.443  1662.03  65.482  184.627 3.5912 183.119 3.6229 1.508148       5.101142  
1 1 1 7   14  21 o 57.920  6.4161 170.007  36.064  171.940  50.462  167.989  51.560  57.493  9.2028 56.707  9.5513 0.7860260      13.26347  
1 1 1 7   14  22 o 60.289  2.4026 179.821  14.297  167.859  19.781  192.906  20.688  58.070  3.4670 62.279  3.3781 -4.209007      4.840628  
1 1 1 7   14  23 o 80.977  2.2247 324.453  17.781  310.963  24.790  338.749  25.519  79.169  3.1724 82.636  3.1287 -3.467346      4.455618  
1 1 1 7   14  24 o 27.360  1.4961 37.109   4.0249  37.963   4.1755  25.906   15.120  27.671  1.5348 22.351  6.4779 5.319860       6.657225  
1 1 1 7   14  25 o 73.081  2.4338 264.888  17.556  258.290  24.650  271.681  25.010  71.981  3.4695 73.832  3.4319 -1.850258      4.880099  
1 1 1 7   14  26 o 59.419  2.7801 175.537  16.305  156.336  21.301  202.704  25.337  55.748  3.8956 63.462  4.0663 -7.714310      5.631255  
1 1 1 7   14  27 o 50.548  1.5687 126.430  7.8266  119.523  10.749  134.225  11.419  49.083  2.2187 52.014  2.2241 -2.930649      3.141557  
1 1 1 7   15  0  o 126.509 1.6796 790.364  20.972  829.166  30.072  753.618  29.264  129.536 2.3520 123.491 2.4008 6.045456       3.360907  
1 1 1 7   15  1  o 188.517 2.3087 1756.02  42.959  1746.88  61.000  1765.02  60.510  187.908 3.2889 188.887 3.2456 -0.9789886     4.620658  
1 1 1 7   15  2  o 108.152 6.2667 584.240  66.611  577.981  94.025  590.546  94.379  106.896 8.9951 108.079 8.9270 -1.182930      12.67290  
1 1 1 7   15  3  o 138.532 6.4149 955.771  87.715  943.948  124.193 967.540  123.904 136.709 9.2584 138.462 9.1171 -1.752792      12.99378  
1 1 1 7   15  4  o 187.053 2.3382 1728.84  43.170  1753.07  61.234  1704.89  60.870  188.248 3.2956 185.639 3.3220 2.608704       4.679371  
1 1 1 7   15  5  o 51.985  1.5905 133.443  8.1611  145.817  12.064  123.003  11.081  54.327  2.2499 49.896  2.2500 4.430435       3.181894  
1 1 1 7   15  6  o 133.087 2.1623 874.993  28.404  931.937  35.277  770.030  47.895  137.318 2.6028 124.710 3.8909 12.60786       4.681201  
1 1 1 7   15  7  o 96.121  1.6035 456.217  15.213  463.737  21.524  448.711  21.505  96.884  2.2508 95.300  2.2862 1.584091       3.208224  
1 1 1 7   15  8  o 41.552  1.3602 85.243   5.5788  90.299   10.794  83.400   6.5167  42.668  2.5750 41.097  1.6065 1.570431       3.035071  
1 1 1 7   15  9  f 38.595  1.3253 73.540   5.0488  59.620   11.000  77.255   5.6827  34.565  3.2628 39.556  1.4555 -4.990860      3.572737  
1 1 1 7   15  10 o 88.042  2.2268 382.959  19.351  0.0000   0.0000  382.959  19.351  ?       ?      88.042  2.2268 0.000000       2.226797  
1 1 1 7   15  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   15  12 o 57.038  6.2975 163.965  34.863  160.012  48.826  168.076  49.795  55.698  9.2027 57.131  9.1384 -1.433250      12.96919  
1 1 1 7   15  13 o 107.210 1.7580 567.683  18.603  555.681  26.036  580.203  26.591  106.030 2.4878 108.345 2.4865 -2.314316      3.517350  
1 1 1 7   15  14 o 289.854 3.6310 4160.44  103.881 4114.91  146.782 4206.12  147.040 287.763 5.1678 290.953 5.1201 -3.189941      7.274690  
1 1 1 7   15  15 o 22.275  3.9305 25.311   8.3257  30.657   11.596  19.624   11.961  24.405  4.9824 19.687  5.7778 4.718012       7.629350  
1 1 1 7   15  16 o 139.337 2.2757 959.558  31.298  943.741  43.711  976.200  44.835  138.085 3.2071 140.436 3.2345 -2.351074      4.554890  
1 1 1 7   15  17 o 149.320 2.2340 1101.98  32.926  1094.17  46.266  1110.00  46.868  148.681 3.1526 149.750 3.1709 -1.069122      4.471421  
1 1 1 7   15  18 o 58.660  2.1947 170.073  12.707  150.909  17.586  191.013  18.382  55.113  3.2471 62.127  2.9977 -7.013641      4.419242  
1 1 1 7   15  19 o 74.965  1.3938 277.524  10.313  274.517  14.577  280.538  14.594  74.534  1.9814 75.348  1.9623 -0.8138504     2.788630  
1 1 1 7   15  20 o 69.334  6.4157 242.696  43.408  245.542  61.726  239.911  61.056  68.910  9.3139 68.098  9.3289 0.8117447      13.18244  
1 1 1 7   15  21 o 96.066  2.1482 456.296  20.369  433.060  28.353  481.080  29.282  93.498  3.0723 98.553  3.0102 -5.054970      4.301250  
1 1 1 7   15  22 o 130.075 2.2515 837.012  28.906  811.216  40.474  863.868  41.298  127.898 3.2061 131.991 3.1699 -4.092491      4.508601  
1 1 1 7   15  23 o 28.021  4.9190 40.406   13.109  31.683   18.091  50.049   19.021  24.670  7.0672 30.927  6.4404 -6.256884      9.561576  
1 1 1 7   15  24 o 15.191  5.4425 9.9713   10.356  9.9085   14.094  10.045   15.269  16.455  6.2647 16.899  6.5001 -0.4441528     9.027596  
1 1 1 7   15  25 o 52.369  1.9646 135.824  10.155  132.422  20.548  136.924  11.681  51.253  4.0961 52.552  2.2519 -1.298790      4.674327  
1 1 1 7   15  26 o 61.117  2.6214 185.648  15.814  183.267  22.344  188.039  22.384  60.387  3.7676 61.183  3.7243 -0.7964020     5.297642  
1 1 1 7   15  27 f 54.716  6.8461 157.712  36.164  153.066  50.297  162.684  52.035  52.037  10.157 53.661  10.197 -1.623528      14.39276  
1 1 1 7   16  0  o 134.046 2.4694 888.173  32.672  1012.83  170.802 883.439  33.286  139.975 12.494 133.684 2.5226 6.290573       12.74609  
1 1 1 7   16  1  o 125.528 6.4018 787.587  79.055  736.967  111.888 838.049  111.715 120.506 9.4835 128.773 8.8428 -8.267708      12.96654  
1 1 1 7   16  2  o 161.841 6.6515 1306.67  106.253 1304.59  150.228 1308.75  150.301 160.548 9.5226 160.809 9.5116 -0.2608032     13.45924  
1 1 1 7   16  3  o 81.387  1.3261 327.041  10.653  337.852  15.405  317.135  14.747  82.703  1.8871 80.128  1.8645 2.574959       2.652887  
1 1 1 7   16  4  o 85.067  1.4119 357.303  11.855  336.565  17.279  375.745  16.294  82.537  2.1210 87.218  1.8927 -4.681503      2.842730  
1 1 1 7   16  5  o 43.706  1.7209 94.339   7.4237  97.304   10.953  91.820   10.097  44.298  2.5154 43.038  2.3861 1.259903       3.467083  
1 1 1 7   16  6  o 76.915  1.4516 292.111  11.021  306.026  15.608  278.275  15.563  78.708  2.0091 75.051  2.1009 3.656952       2.906931  
1 1 1 7   16  7  o 153.723 2.1809 1167.56  33.090  1223.04  43.395  1090.49  51.149  157.275 2.7954 148.429 3.4913 8.845093       4.472501  
1 1 1 7   16  8  o 27.772  2.7833 38.516   7.5267  43.171   10.687  33.934   10.603  29.284  3.7858 25.821  4.3123 3.463398       5.738317  
1 1 1 7   16  9  o 71.587  1.7541 253.106  12.395  253.736  15.723  252.072  20.144  71.660  2.2230 71.396  2.8585 0.2637024      3.621147  
1 1 1 7   16  10 o 261.080 7.8337 3415.69  201.872 3487.42  285.568 3344.03  285.413 261.853 11.049 256.250 11.284 5.603394       15.79286  
1 1 1 7   16  11 o 62.799  6.2304 198.435  38.109  198.066  53.768  198.807  54.022  62.097  9.0375 62.208  9.0645 -0.1112404     12.80005  
1 1 1 7   16  12 o 196.820 2.7154 1915.51  52.752  1909.69  72.062  1922.24  77.431  196.353 3.7182 196.945 3.9833 -0.5915070     5.449003  
1 1 1 7   16  13 o 103.215 1.7813 526.222  18.148  533.781  25.455  518.409  25.879  103.912 2.4819 102.399 2.5605 1.512604       3.565921  
1 1 1 7   16  14 o 114.170 1.9351 643.967  21.807  637.108  30.317  651.320  31.389  113.503 2.7061 114.756 2.7712 -1.253220      3.873333  
1 1 1 7   16  15 o 66.412  1.7724 217.871  11.618  213.945  16.132  222.102  16.747  65.782  2.4845 67.022  2.5315 -1.240112      3.547035  
1 1 1 7   16  16 o 121.804 1.9034 733.009  22.884  717.281  32.009  749.451  32.728  120.424 2.6929 123.094 2.6937 -2.670731      3.808914  
1 1 1 7   16  17 o 125.165 2.0584 774.203  25.430  757.254  35.627  791.808  36.310  123.703 2.9178 126.495 2.9081 -2.791946      4.119599  
1 1 1 7   16  18 o 143.603 2.3880 1019.67  33.847  986.010  47.132  1055.52  48.638  141.076 3.3848 145.966 3.3759 -4.889664      4.780556  
1 1 1 7   16  19 o 54.607  6.3716 151.246  33.697  145.363  47.481  157.216  47.829  52.692  9.4777 54.951  9.1394 -2.258270      13.16646  
1 1 1 7   16  20 o 56.423  2.2842 157.438  12.721  157.384  22.706  157.463  15.358  56.134  4.1270 56.401  2.7587 -0.2668991     4.964096  
1 1 1 7   16  21 o 71.694  1.9892 254.120  14.076  250.425  22.311  256.563  18.142  71.073  3.1805 71.996  2.5530 -0.9236603     4.078387  
1 1 1 7   16  22 o 11.428  2.0542 6.6565   2.2319  13.823   21.641  6.5794   2.2438  20.009  7.7266 11.356  2.0784 8.652400       8.001266  
1 1 1 7   16  23 f 53.876  1.9957 143.626  10.613  127.699  12.233  192.097  21.340  50.768  2.4412 62.042  3.4991 -11.27404      4.266528  
1 1 1 7   16  24 o 54.313  1.7132 145.936  9.1844  139.781  18.847  147.853  10.518  52.809  3.6380 54.649  1.9499 -1.839321      4.127571  
1 1 1 7   16  25 o 74.979  2.3892 279.034  17.681  266.994  25.284  290.559  24.736  73.105  3.5040 76.319  3.2837 -3.214264      4.802108  
1 1 1 7   16  26 o 49.998  7.1942 132.598  34.481  142.501  47.905  121.952  49.670  50.361  9.9901 45.882  11.090 4.478645       14.92650  
1 1 1 7   16  27 o 36.777  4.5443 69.428   16.145  61.513   25.549  74.689   20.831  33.423  7.8741 37.742  5.7756 -4.319725      9.765189  
1 1 1 7   17  0  o 216.974 2.6995 2328.47  57.812  2328.51  81.937  2328.44  81.582  216.736 3.8301 216.737 3.8136 -0.9307861E-03 5.404928  
1 1 1 7   17  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   17  2  o 192.677 2.4623 1835.20  46.828  1802.92  66.256  1867.42  66.193  190.810 3.5179 194.206 3.4532 -3.395065      4.929528  
1 1 1 7   17  3  o 173.745 2.2414 1491.82  38.438  1414.81  54.473  1568.18  54.247  169.074 3.2641 178.029 3.0871 -8.955154      4.492736  
1 1 1 7   17  4  o 114.663 1.7185 649.371  19.450  631.740  26.519  669.896  28.613  113.056 2.3764 116.411 2.4902 -3.355598      3.442187  
1 1 1 7   17  5  o 109.540 1.6540 592.601  17.883  592.678  25.131  592.522  25.453  109.508 2.3251 109.492 2.3552 0.1642609E-01  3.309521  
1 1 1 7   17  6  o 212.227 2.6574 2226.99  55.665  2224.73  78.679  2229.26  78.767  211.919 3.7614 212.135 3.7618 -0.2154236     5.319756  
1 1 1 7   17  7  o 110.740 1.7162 605.692  18.758  593.912  27.493  615.953  25.659  109.606 2.5412 111.637 2.3286 -2.030724      3.446788  
1 1 1 7   17  8  o 54.513  1.7814 146.785  9.5853  145.672  13.514  147.913  13.598  54.283  2.5222 54.699  2.5186 -0.4160652     3.564394  
1 1 1 7   17  9  o 63.582  6.2460 203.511  38.693  203.242  54.597  203.783  54.843  62.873  9.0593 62.950  9.0899 -0.7683945E-01 12.83343  
1 1 1 7   17  10 o 223.897 7.3427 2511.04  162.270 2435.94  229.359 2586.30  229.610 218.769 10.622 225.617 10.311 -6.848297      14.80311  
1 1 1 7   17  11 o 182.953 2.4612 1654.74  44.446  1682.35  62.755  1626.95  62.957  184.321 3.4494 181.248 3.5191 3.072617       4.927716  
1 1 1 7   17  12 o 120.948 3.1652 724.034  37.786  719.772  106.941 724.641  40.391  118.992 9.1761 120.973 3.3827 -1.980949      9.779736  
1 1 1 7   17  13 o 114.450 1.9315 647.175  21.819  631.714  30.407  663.585  31.327  113.012 2.7259 115.827 2.7402 -2.814438      3.865124  
1 1 1 7   17  14 o 50.626  1.4124 126.564  7.0575  119.936  9.8553  133.542  10.111  49.266  2.0267 51.987  1.9705 -2.721210      2.826715  
1 1 1 7   17  15 o 69.685  1.8875 239.923  12.982  251.467  18.105  227.705  18.626  71.306  2.5724 67.842  2.7815 3.464722       3.788656  
1 1 1 7   17  16 o 28.935  3.3916 42.039   9.5026  39.118   13.342  45.045   13.538  27.609  5.0832 29.735  4.7742 -2.125330      6.973657  
1 1 1 7   17  17 o 123.729 2.0668 756.656  25.241  719.440  35.173  796.174  36.244  120.554 2.9559 126.828 2.8953 -6.274094      4.137640  
1 1 1 7   17  18 o 114.033 6.4535 653.661  72.339  611.063  101.358 697.887  103.276 109.082 9.5091 116.842 9.0249 -7.760391      13.10999  
1 1 1 7   17  19 o 56.913  3.1077 160.947  17.392  156.540  24.791  165.216  24.404  55.910  4.5314 57.483  4.3330 -1.573116      6.269622  
1 1 1 7   17  20 o 165.607 2.7061 1357.93  44.234  1332.07  61.334  1385.96  63.856  163.766 3.7944 167.023 3.8734 -3.257416      5.422239  
1 1 1 7   17  21 o 14.109  5.2790 7.5228   9.9082  2.1334   13.809  13.241   14.224  14.169  5.9177 17.656  6.3723 -3.487175      8.696304  
1 1 1 7   17  22 o 28.425  2.0365 40.181   5.6758  35.658   6.0008  78.565   17.482  26.739  2.2960 39.389  4.5823 -12.65030      5.125308  
1 1 1 7   17  23 o 92.431  3.2020 424.923  29.213  514.464  85.513  413.093  31.083  98.870  8.8565 91.077  3.4577 7.793404       9.507535  
1 1 1 7   17  24 o 109.467 2.2859 594.299  24.699  591.122  40.683  596.154  31.082  108.709 3.7915 109.482 2.8763 -0.7726517     4.759046  
1 1 1 7   17  25 o 65.081  6.8881 221.989  43.575  222.733  60.791  221.204  62.492  63.204  10.083 62.717  10.464 0.4869194      14.53146  
1 1 1 7   17  26 o 13.195  5.3902 3.6821   11.121  -0.1263  14.670  8.8282   17.053  13.836  5.9510 16.992  6.7687 -3.155169      9.012729  
1 1 1 7   17  27 o 26.261  2.0771 34.448   5.3399  32.340   5.5637  59.076   19.018  25.414  2.2409 33.339  6.0001 -7.925339      6.404885  
1 1 1 7   18  0  o 137.757 7.5739 959.441  102.588 977.998  177.419 950.120  125.739 135.724 13.419 136.209 9.4103 -0.4846344     16.39007  
1 1 1 7   18  1  o 57.804  2.9946 165.842  17.027  166.029  18.099  164.397  50.221  57.815  3.1839 56.191  9.3861 1.624348       9.911406  
1 1 1 7   18  2  o 184.678 3.4813 1689.69  63.458  1643.11  250.843 1692.87  65.592  176.134 14.559 184.828 3.5954 -8.694183      14.99658  
1 1 1 7   18  3  o 97.174  1.6101 466.390  15.444  517.710  22.655  421.837  21.108  102.343 2.2427 92.377  2.3150 9.965729       3.223193  
1 1 1 7   18  4  o 117.838 1.7203 685.894  20.009  699.457  27.887  671.505  28.724  118.950 2.3752 116.538 2.4972 2.411324       3.446382  
1 1 1 7   18  5  f 128.402 1.8348 814.472  23.254  795.331  32.596  834.310  33.185  126.820 2.6040 129.892 2.5883 -3.072090      3.671533  
1 1 1 7   18  6  o 111.647 2.0524 615.937  22.617  617.162  27.188  613.184  40.754  111.728 2.4654 111.241 3.7117 0.4863205      4.455840  
1 1 1 7   18  7  o 127.654 1.9142 805.083  24.119  777.344  35.225  829.565  33.092  125.354 2.8470 129.522 2.5885 -4.168915      3.847811  
1 1 1 7   18  8  o 186.204 6.9196 1735.56  127.176 1650.35  179.842 1820.78  179.867 179.853 10.172 189.236 9.6619 -9.382690      14.02967  
1 1 1 7   18  9  o 156.112 6.6197 1218.67  102.001 1198.48  144.135 1238.93  144.369 153.456 9.5635 156.105 9.4137 -2.649475      13.41929  
1 1 1 7   18  10 o 54.854  1.5324 148.606  8.2969  141.106  9.7824  167.828  15.661  53.443  1.8545 58.249  2.7240 -4.805691      3.295312  
1 1 1 7   18  11 o 81.772  1.6740 330.288  13.511  328.921  18.675  331.789  19.572  81.570  2.3195 81.918  2.4206 -0.3486481     3.352533  
1 1 1 7   18  12 o 119.670 2.0228 707.691  23.893  694.906  35.092  718.739  32.622  118.491 3.0004 120.534 2.7420 -2.043388      4.064635  
1 1 1 7   18  13 o 147.038 6.5349 1082.01  94.843  1059.92  133.876 1104.26  134.382 144.157 9.4613 147.236 9.2945 -3.078583      13.26287  
1 1 1 7   18  14 o 12.236  4.6951 4.9821   7.9544  0.1846   10.863  10.527   11.679  12.193  5.1791 15.945  5.7711 -3.751621      7.754306  
1 1 1 7   18  15 o 43.016  2.3887 91.785   10.102  89.320   13.798  94.632   14.831  42.330  3.3293 43.559  3.4785 -1.228813      4.814965  
1 1 1 7   18  16 o 30.098  3.6948 45.598   10.746  38.082   14.620  54.431   15.849  27.128  5.6438 32.680  5.0783 -5.551769      7.592160  
1 1 1 7   18  17 o 105.307 6.3367 557.783  65.558  558.832  92.969  556.745  92.461  104.372 9.1159 104.190 9.0815 0.1817703      12.86754  
1 1 1 7   18  18 o 36.603  3.9938 67.335   14.195  73.181   20.197  61.629   19.954  37.875  5.5688 34.588  6.0659 3.286983       8.234529  
1 1 1 7   18  19 o 95.904  2.0958 454.830  19.839  425.862  26.977  488.952  29.278  92.709  2.9480 99.334  2.9861 -6.625015      4.196170  
1 1 1 7   18  20 o 113.127 1.9805 632.862  22.114  627.850  31.410  637.787  31.139  112.560 2.8272 113.455 2.7807 -0.8947983     3.965485  
1 1 1 7   18  21 o 23.691  1.0874 27.720   2.5427  25.082   3.6096  30.317   3.5825  22.466  1.6391 24.725  1.4747 -2.258913      2.204824  
1 1 1 7   18  22 o 17.441  6.2900 13.138   13.856  7.1105   19.225  19.652   19.986  17.509  7.1124 21.019  7.5574 -3.510080      10.37791  
1 1 1 7   18  23 o 61.457  3.1456 188.520  19.017  201.559  35.346  183.208  22.561  62.743  5.7722 60.426  3.8020 2.316853       6.911874  
1 1 1 7   18  24 o 26.844  7.8727 38.814   22.215  38.476   30.735  39.185   32.146  27.336  9.4087 27.651  9.6163 -0.3150806     13.45346  
1 1 1 7   18  25 o 48.903  4.3621 121.645  20.834  172.111  48.905  110.455  23.029  55.729  9.2128 46.320  5.1227 9.408962       10.54126  
1 1 1 7   18  26 o 34.483  1.7946 59.093   6.0868  55.731   17.859  59.535   6.4745  32.462  5.7860 34.597  1.9033 -2.135002      6.090985  
1 1 1 7   18  27 o 51.757  7.1128 144.486  35.376  146.611  48.156  141.995  52.140  50.123  10.083 48.490  11.129 1.632156       15.01784  
1 1 1 7   19  0  o 119.406 6.4078 720.151  75.246  716.169  106.520 724.117  106.307 117.635 9.2487 118.333 9.1733 -0.6984482     13.02644  
1 1 1 7   19  1  o 91.993  1.4997 418.066  13.617  454.354  20.677  390.276  18.095  95.849  2.1856 88.844  2.0635 7.005440       3.005791  
1 1 1 7   19  2  o 65.978  1.5243 215.032  9.9266  265.765  15.353  178.590  13.012  73.318  2.1216 60.099  2.1936 13.21947       3.051682  
1 1 1 7   19  3  o 19.398  5.3775 19.325   10.654  24.385   24.159  18.104   11.870  23.458  8.3222 19.003  5.7990 4.454645       10.14331  
1 1 1 7   19  4  o 88.326  1.9143 385.511  16.689  403.865  21.327  356.519  26.804  90.372  2.3909 84.842  3.2008 5.529404       3.995168  
1 1 1 7   19  5  o 161.385 2.3104 1287.71  36.802  1271.69  51.890  1303.92  52.204  160.230 3.2810 162.252 3.2597 -2.021576      4.625002  
1 1 1 7   19  6  f 72.857  1.7350 262.227  12.476  261.400  17.224  263.140  18.097  72.708  2.4000 72.943  2.5136 -0.2348099     3.475377  
1 1 1 7   19  7  o 115.181 6.3594 665.469  72.019  681.500  101.934 649.491  101.766 115.643 9.0012 112.792 9.2216 2.851707       12.88639  
1 1 1 7   19  8  o 160.309 6.6900 1287.23  105.856 1297.05  149.946 1277.47  149.462 159.437 9.5726 158.201 9.6173 1.236069       13.56934  
1 1 1 7   19  9  o 123.345 1.9191 751.772  23.364  729.574  32.413  775.782  33.709  121.436 2.7042 125.220 2.7273 -3.783951      3.840650  
1 1 1 7   19  10 o 114.718 1.8461 650.243  20.904  629.670  29.151  672.021  29.992  112.823 2.6177 116.556 2.6069 -3.733505      3.694380  
1 1 1 7   19  11 o 92.496  1.7390 422.679  15.876  390.835  21.101  464.227  24.102  88.901  2.4047 96.880  2.5205 -7.978539      3.483629  
1 1 1 7   19  12 o 33.884  2.8947 57.242   9.5881  54.696   12.567  60.789   14.833  32.969  3.9397 34.699  4.4321 -1.730049      5.929958  
1 1 1 7   19  13 f 74.558  1.6507 274.618  12.148  238.126  18.839  300.591  15.893  69.366  2.7515 77.982  2.0648 -8.615974      3.440121  
1 1 1 7   19  14 o 114.879 6.3601 663.239  71.836  637.114  101.473 689.486  101.710 111.449 9.3097 116.134 8.9418 -4.684227      12.90837  
1 1 1 7   19  15 o 41.033  2.7055 83.697   10.896  73.846   14.733  95.589   16.188  38.365  3.9470 43.724  3.7884 -5.359680      5.470912  
1 1 1 7   19  16 o 48.513  6.8980 120.668  32.100  114.753  45.990  126.288  44.825  46.359  10.317 48.874  9.6346 -2.515366      14.11582  
1 1 1 7   19  17 o 90.254  2.5791 403.199  22.976  400.935  32.754  405.392  32.238  89.861  3.6928 90.370  3.6141 -0.5094986     5.167093  
1 1 1 7   19  18 o 78.330  1.8636 303.311  14.408  274.646  20.231  332.817  20.525  74.463  2.7526 81.993  2.5361 -7.529945      3.742814  
1 1 1 7   19  19 o 17.191  2.0333 14.820   3.3833  21.964   4.6748  6.9631   4.9027  20.941  2.2995 11.907  3.7426 9.034714       4.392561  
1 1 1 7   19  20 o 87.146  1.9657 375.685  16.908  361.399  23.537  390.918  24.305  85.370  2.7933 88.791  2.7733 -3.421104      3.936203  
1 1 1 7   19  21 o 49.915  2.7906 124.033  13.694  111.762  19.014  137.256  19.738  47.124  4.1295 52.320  3.8492 -5.195923      5.645278  
1 1 1 7   19  22 o 16.029  0.9755 12.737   1.5360  14.894   2.1384  10.438   2.2076  17.315  1.2599 14.442  1.5741 2.872367       2.016221  
1 1 1 7   19  23 o 72.698  6.5496 274.449  46.493  253.343  65.190  296.298  66.326  67.635  10.072 73.775  9.3161 -6.139580      13.72005  
1 1 1 7   19  24 o 39.384  7.5174 84.031   28.156  67.771   38.037  103.740  41.878  34.404  10.354 42.531  10.122 -8.126350      14.48001  
1 1 1 7   19  25 o 33.912  1.9261 57.218   6.4205  55.536   6.5795  90.756   29.380  33.397  2.0053 40.823  7.5702 -7.426399      7.831273  
1 1 1 7   19  26 f 41.292  1.5291 84.439   6.2319  53.838   22.000  87.109   6.4981  31.264  7.2671 41.936  1.5699 -10.67162      7.434771  
1 1 1 7   20  0  o 64.497  1.4164 205.577  9.0169  218.859  13.639  195.264  12.018  66.495  2.0780 62.820  1.9382 3.674503       2.841627  
1 1 1 7   20  1  o 52.256  1.5870 134.967  8.1856  171.796  12.705  108.832  10.703  58.916  2.1848 46.885  2.3128 12.03136       3.181600  
1 1 1 7   20  2  o 75.782  1.5201 283.773  11.370  350.208  18.377  242.571  14.473  84.129  2.2131 70.026  2.0939 14.10273       3.046681  
1 1 1 7   20  3  o 133.114 1.8721 875.948  24.598  910.113  35.581  844.674  34.043  135.570 2.6590 130.609 2.6407 4.961853       3.747487  
1 1 1 7   20  4  o 171.030 6.8161 1472.95  115.065 1494.96  162.909 1451.03  162.545 170.310 9.7315 167.684 9.8643 2.626038       13.85664  
1 1 1 7   20  5  o 97.352  1.7585 468.328  16.898  458.999  24.016  477.474  23.780  96.313  2.5263 98.239  2.4524 -1.926628      3.520844  
1 1 1 7   20  6  o 76.953  6.3181 298.778  47.565  296.356  67.191  301.212  67.344  75.739  9.1751 76.387  9.1118 -0.6484985     12.93087  
1 1 1 7   20  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   20  8  o 19.056  5.5404 18.493   11.045  21.362   15.137  15.227   16.151  20.781  6.5817 18.903  6.7941 1.878342       9.459322  
1 1 1 7   20  9  o 58.083  1.7619 166.697  10.101  161.619  11.941  179.464  18.936  57.177  2.1159 60.099  3.2038 -2.922024      3.839498  
1 1 1 7   20  10 f 121.540 1.9594 730.127  23.505  701.091  32.707  761.145  33.804  119.008 2.7844 124.003 2.7619 -4.995293      3.921802  
1 1 1 7   20  11 o 221.142 3.3333 2424.19  72.757  2312.59  102.438 2537.80  103.356 215.476 4.8165 225.799 4.6375 -10.32356      6.686149  
1 1 1 7   20  12 o 46.278  2.4908 106.266  11.336  103.153  14.527  111.112  18.126  45.505  3.2558 47.140  3.9315 -1.635067      5.104598  
1 1 1 7   20  13 o 152.724 2.2833 1153.64  34.420  1150.06  48.370  1157.31  48.991  152.323 3.2172 152.796 3.2484 -0.4727936     4.571933  
1 1 1 7   20  14 o 4.9452  2.0793 0.1295   1.7226  4.9596   2.3628  -5.3504  2.5167  9.8198  2.4467 3.8375  1.8886 5.982332       3.090770  
1 1 1 7   20  15 o 65.566  6.4301 218.124  41.077  218.883  57.917  217.356  58.269  64.734  9.3342 64.467  9.4367 0.2669296      13.27325  
1 1 1 7   20  16 o 31.242  3.8472 49.233   11.613  43.980   16.551  54.327   16.298  29.091  5.9644 32.566  5.2488 -3.475729      7.945035  
1 1 1 7   20  17 f 73.809  2.1335 269.497  15.543  283.234  23.264  258.421  20.890  75.564  3.1191 72.200  2.9314 3.364502       4.280392  
1 1 1 7   20  18 o 78.267  1.6169 302.768  12.491  323.741  17.762  282.250  17.568  80.878  2.2250 75.504  2.3574 5.373573       3.241583  
1 1 1 7   20  19 o 28.807  1.2525 40.996   3.5613  40.704   5.0427  41.286   5.0301  28.633  1.7933 28.840  1.7757 -0.2065601     2.523697  
1 1 1 7   20  20 o 69.710  2.3289 240.806  16.024  230.222  22.576  251.552  22.748  68.011  3.3631 71.113  3.2409 -3.102188      4.670515  
1 1 1 7   20  21 o 70.657  2.3375 247.574  16.302  256.968  21.748  235.527  24.628  71.860  3.0662 68.586  3.6512 3.274773       4.767870  
1 1 1 7   20  22 o 31.474  8.1019 54.162   25.318  63.349   33.979  42.695   37.962  33.684  9.6962 29.067  10.419 4.617088       14.23298  
1 1 1 7   20  23 o 150.520 6.9162 1184.11  102.754 1144.05  146.344 1223.07  144.309 142.688 10.464 148.483 9.9033 -5.795029      14.40723  
1 1 1 7   20  24 o 21.946  1.2006 23.887   2.5908  30.225   3.4381  15.559   3.9411  24.673  1.4177 17.539  2.3346 7.134087       2.731312  
1 1 1 7   20  25 o 55.360  2.3245 152.473  12.702  175.523  32.183  148.221  13.824  58.010  5.6941 54.535  2.5682 3.475834       6.246476  
1 1 1 7   20  26 o 39.379  4.2216 79.651   16.153  80.209   23.225  79.128   22.481  38.633  6.3084 38.452  6.1290 0.1809273      8.795496  
1 1 1 7   21  0  o 64.257  1.5235 204.179  9.6625  222.261  14.844  190.884  12.728  66.964  2.2459 62.077  2.0774 4.887127       3.059297  
1 1 1 7   21  1  o 57.535  1.6383 163.719  9.3040  163.279  14.863  164.003  11.930  57.360  2.6253 57.544  2.1005 -0.1841545     3.362165  
1 1 1 7   21  2  o 42.793  1.6811 90.561   7.1005  88.772   10.895  91.881   9.3614  42.225  2.6272 43.015  2.2124 -0.7897453     3.434674  
1 1 1 7   21  3  o 79.790  1.5580 314.694  12.270  334.111  18.524  299.516  16.378  82.140  2.2848 77.788  2.1331 4.351875       3.125767  
1 1 1 7   21  4  o 61.179  1.8139 185.080  10.954  187.967  17.195  183.108  14.210  61.569  2.8294 60.811  2.3675 0.7578850      3.689252  
1 1 1 7   21  5  o 167.508 6.8231 1419.85  112.810 1402.56  159.359 1437.21  159.716 164.020 9.8897 166.134 9.7831 -2.113922      13.91098  
1 1 1 7   21  6  o 73.785  6.3763 276.139  45.981  264.484  64.958  287.844  65.097  71.055  9.4999 74.358  9.0566 -3.302933      13.12517  
1 1 1 7   21  7  o 67.370  1.8641 224.371  12.395  212.120  17.618  236.380  17.443  65.442  2.7275 69.098  2.5576 -3.655952      3.739018  
1 1 1 7   21  8  o 39.658  3.3086 78.556   12.833  94.693   23.288  71.519   15.379  43.139  5.6014 37.682  4.2065 5.457172       7.005023  
1 1 1 7   21  9  o 45.890  2.5146 104.549  11.346  108.439  15.723  100.323  16.390  46.621  3.4412 44.787  3.7420 1.833843       5.083690  
1 1 1 7   21  10 o 38.528  2.9261 73.973   11.045  85.012   15.155  61.469   16.129  41.198  3.7687 34.781  4.8285 6.416889       6.125149  
1 1 1 7   21  11 o 63.506  2.2500 199.515  14.104  191.680  19.662  207.820  20.243  62.086  3.2195 64.738  3.1679 -2.651619      4.516743  
1 1 1 7   21  12 o 23.265  4.8414 27.998   10.756  23.248   14.847  33.245   15.603  21.400  6.4754 25.226  6.2884 -3.826292      9.026374  
1 1 1 7   21  13 o 85.023  2.2684 357.678  19.036  386.158  34.231  344.927  22.904  88.116  3.9359 83.440  2.7811 4.675926       4.819278  
1 1 1 7   21  14 o 83.484  6.3892 353.209  52.248  330.729  73.645  375.991  74.138  79.491  9.5792 85.108  8.9601 -5.616783      13.11654  
1 1 1 7   21  15 f 68.922  1.8833 234.893  12.812  229.611  16.206  243.694  20.920  68.100  2.4110 70.094  3.0238 -1.993210      3.867324  
1 1 1 7   21  16 o 26.257  1.6974 34.224   4.3754  33.899   4.4213  49.638   30.436  26.129  1.7241 30.723  9.2657 -4.594673      9.424777  
1 1 1 7   21  17 o 76.943  2.1694 293.064  16.476  288.801  23.669  297.071  22.948  76.255  3.1447 77.360  3.0053 -1.105301      4.349828  
1 1 1 7   21  18 o 58.961  2.5283 172.355  14.714  162.977  21.177  181.106  20.458  57.052  3.7821 60.223  3.4561 -3.171253      5.123387  
1 1 1 7   21  19 o 22.770  5.1494 27.142   11.302  27.083   16.591  27.193   15.438  22.826  6.8313 22.789  6.5287 0.3681564E-01  9.449405  
1 1 1 7   21  20 o 22.135  1.2336 24.290   2.6844  23.144   3.8470  25.378   3.7476  21.545  1.8262 22.583  1.6936 -1.037889      2.490646  
1 1 1 7   21  21 o 83.747  14.976 435.765  119.251 435.765  119.251 0.0000   0.0000  83.747  14.976 ?       ?      0.000000       14.97618  
1 1 1 7   21  22 o 98.795  6.5231 509.596  63.252  448.288  88.043  574.990  90.930  89.259  10.175 102.410 9.0901 -13.15128      13.64415  
1 1 1 7   21  23 o 38.776  1.4971 74.442   5.7301  78.321   8.0987  70.554   8.1085  39.662  2.0760 37.619  2.1933 2.043289       3.019953  
1 1 1 7   21  24 f 52.573  3.0090 138.740  15.549  142.004  22.616  135.814  21.414  52.700  4.3877 51.589  4.2430 1.110779       6.103675  
1 1 1 7   21  25 f 28.435  5.6007 43.286   15.160  35.240   18.068  62.419   27.863  25.264  7.0028 32.985  8.5037 -7.721067      11.01603  
1 1 1 7   22  0  o 32.341  2.5539 52.274   8.0863  47.730   12.463  55.577   10.627  30.548  4.2483 33.223  3.2837 -2.674557      5.369435  
1 1 1 7   22  1  o 50.589  1.6636 126.642  8.3069  141.399  13.771  118.202  10.415  53.351  2.6152 48.830  2.1609 4.521229       3.392454  
1 1 1 7   22  2  o 40.200  2.0738 80.285   8.2005  83.426   13.645  78.510   10.260  40.752  3.4240 39.670  2.6353 1.081863       4.320714  
1 1 1 7   22  3  o 46.912  1.7662 108.910  8.1781  99.520   12.432  116.072  10.858  44.659  2.8350 48.386  2.2735 -3.727032      3.634054  
1 1 1 7   22  4  o 57.051  6.5021 168.074  35.961  181.454  51.090  154.936  50.625  58.089  9.2185 53.210  10.007 4.879124       13.60560  
1 1 1 7   22  5  o 74.246  6.3291 282.033  45.939  323.718  65.528  241.743  64.421  78.458  8.6028 66.929  10.063 11.52877       13.23915  
1 1 1 7   22  6  o 93.287  6.3892 443.554  58.476  424.467  82.613  462.719  82.782  89.571  9.4888 93.832  9.0505 -4.260712      13.11292  
1 1 1 7   22  7  o 68.873  1.6443 234.513  11.178  245.945  14.966  220.091  16.810  70.487  2.1511 66.638  2.5557 3.849213       3.340493  
1 1 1 7   22  8  o 20.611  1.5079 21.107   3.0464  25.554   13.198  20.857   3.1310  22.130  5.9246 20.483  1.5604 1.647142       6.126659  
1 1 1 7   22  9  o 61.871  1.8231 189.300  11.134  184.416  18.121  192.262  14.111  60.961  3.0116 62.316  2.2942 -1.355362      3.785894  
1 1 1 7   22  10 o 98.894  1.8955 483.704  18.503  484.940  26.212  482.476  26.121  98.913  2.6848 98.661  2.6823 0.2512360      3.795150  
1 1 1 7   22  11 o 50.342  2.4701 125.534  12.274  131.446  17.431  119.720  17.286  51.309  3.4620 48.932  3.6044 2.377468       4.997715  
1 1 1 7   22  12 o 91.489  7.4821 429.801  66.974  441.867  116.033 423.773  82.016  88.998  13.644 89.859  9.3855 -0.8607101     16.56048  
1 1 1 7   22  13 o 62.747  7.7063 204.241  46.725  195.236  80.586  208.802  57.349  58.287  14.150 62.662  9.5764 -4.375072      17.08574  
1 1 1 7   22  14 o 42.783  2.9120 91.254   12.224  88.668   17.672  93.626   16.926  41.912  4.3345 43.145  4.0209 -1.232723      5.912277  
1 1 1 7   22  15 o 57.084  1.7037 161.143  9.5994  158.524  25.204  161.588  10.382  56.082  4.5935 57.153  1.8404 -1.070839      4.948496  
1 1 1 7   22  16 o 18.727  1.4709 17.443   2.6970  16.023   3.8379  18.829   3.7908  17.848  2.2270 19.400  2.0088 -1.551992      2.999157  
1 1 1 7   22  17 o 35.332  1.9710 61.996   6.8463  60.905   6.9525  96.896   39.318  35.013  2.0204 41.957  9.6897 -6.944736      9.898058  
1 1 1 7   22  18 o 49.512  1.3269 121.182  6.4848  122.062  10.764  120.680  8.1249  49.622  2.1976 49.387  1.6668 0.2349701      2.758209  
1 1 1 7   22  19 o 7.4427  1.5259 2.8408   1.0833  3.1431   1.5744  2.5690   1.4930  7.8186  2.0242 7.1144  2.0276 0.7041492      2.865063  
1 1 1 7   22  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   22  21 o 56.812  7.3498 173.052  40.248  155.650  56.793  190.610  57.047  51.008  11.549 57.510  10.434 -6.501541      15.56425  
1 1 1 7   22  22 o 88.908  2.0475 392.567  17.968  400.717  25.329  384.310  25.494  89.558  2.8653 87.675  2.9460 1.883186       4.109627  
1 1 1 7   22  23 o 44.932  3.2387 101.822  14.267  92.604   20.437  110.585  19.927  42.215  5.0021 46.427  4.4010 -4.212723      6.662592  
1 1 1 7   22  24 o 32.225  4.8199 54.352   14.860  57.624   25.059  52.578   18.455  31.849  7.9859 31.132  6.2232 0.7173901      10.12442  
1 1 1 7   22  25 o 17.083  6.8525 9.6902   17.604  -10.3479 32.074  18.328   21.059  18.030  8.2064 20.157  7.6618 -2.127279      11.22710  
1 1 1 7   23  1  o 38.167  2.2607 72.565   8.4785  79.103   15.080  69.543   10.252  39.502  3.9193 37.266  2.8079 2.236439       4.821360  
1 1 1 7   23  2  o 14.657  4.9269 10.273   8.4224  8.6762   12.826  11.484   11.168  15.506  5.9590 15.957  5.6586 -0.4502058     8.217605  
1 1 1 7   23  3  o 15.783  6.2635 7.4650   14.552  2.9848   20.386  12.119   20.778  16.862  7.1247 19.042  7.5074 -2.180136      10.34998  
1 1 1 7   23  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   23  5  o 25.498  3.4446 33.036   8.4472  29.453   12.177  36.358   11.727  23.643  5.3438 26.489  4.6554 -2.845558      7.087189  
1 1 1 7   23  6  o 15.344  4.6244 11.972   7.5831  9.9139   10.938  13.876   10.522  15.314  5.5785 16.806  5.5023 -1.492234      7.835521  
1 1 1 7   23  7  o 32.244  7.5497 55.948   23.604  50.959   32.876  61.256   33.911  30.767  9.6949 33.372  9.7096 -2.605839      13.72104  
1 1 1 7   23  8  o 90.934  1.8743 409.326  16.823  400.218  24.360  417.629  23.260  89.760  2.7496 91.729  2.5690 -1.969543      3.762969  
1 1 1 7   23  9  o 82.275  1.8742 335.052  15.220  338.918  22.206  331.628  20.903  82.614  2.7233 81.745  2.5907 0.8694153      3.758679  
1 1 1 7   23  10 o 63.986  2.0711 202.768  13.080  195.046  19.591  208.978  17.570  62.527  3.1850 64.873  2.7440 -2.345417      4.203991  
1 1 1 7   23  11 f 108.183 6.4318 598.996  68.369  564.132  96.087  634.747  97.303  102.781 9.5819 109.473 9.0871 -6.691750      13.20565  
1 1 1 7   23  12 f 54.490  6.8110 154.198  35.832  145.119  51.182  162.925  50.180  51.203  10.480 54.761  9.6356 -3.557770      14.23659  
1 1 1 7   23  13 o 16.490  5.5168 13.054   10.559  6.0354   15.148  19.687   14.727  15.683  6.3334 19.914  6.5090 -4.231266      9.081762  
1 1 1 7   23  14 o 48.194  1.7496 114.935  8.3226  114.865  9.3792  115.197  18.050  48.161  1.9731 47.852  3.8542 0.3092041      4.329851  
1 1 1 7   23  15 o 55.426  1.6295 151.989  8.9144  148.938  12.612  155.035  12.602  54.796  2.3318 55.912  2.2834 -1.116203      3.263666  
1 1 1 7   23  16 o 64.590  2.3420 207.020  14.931  221.451  21.753  194.165  20.532  66.623  3.3080 62.288  3.3519 4.335064       4.709364  
1 1 1 7   23  17 o 36.312  3.4551 66.490   12.234  79.365   17.826  55.026   16.821  39.379  4.6778 32.474  5.4404 6.904877       7.174921  
1 1 1 7   23  18 o 41.934  4.4401 89.758   18.098  89.557   20.840  90.372   36.499  41.642  5.1825 40.019  9.4002 1.622952       10.73415  
1 1 1 7   23  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   23  20 o 62.027  7.0457 205.768  42.371  207.842  59.668  203.657  60.178  59.713  10.507 58.892  10.749 0.8213730      15.03112  
1 1 1 7   23  21 o 67.720  1.4485 227.095  9.6819  219.932  13.702  234.237  13.682  66.524  2.0868 68.668  2.0187 -2.144737      2.903432  
1 1 1 7   23  22 f 40.475  3.6260 83.284   14.332  88.809   21.743  79.039   19.059  41.061  5.5034 38.880  5.0885 2.180565       7.495337  
1 1 1 7   23  23 o 45.391  4.1937 105.792  18.576  104.521  22.724  108.353  32.253  44.631  5.2594 44.053  7.6977 0.5781517      9.322851  
1 1 1 7   23  24 o 42.468  1.6659 89.516   6.9831  123.228  31.081  87.724   7.1663  47.387  6.8433 42.031  1.7274 5.355549       7.057995  
1 1 1 7   24  3  o 31.669  9.9171 56.645   34.460  56.645   34.460  0.0000   0.0000  31.669  9.9171 ?       ?      0.000000       9.917126  
1 1 1 7   24  4  o 51.372  2.0115 130.893  10.199  137.217  15.678  126.253  13.430  52.344  3.0478 50.279  2.7162 2.065033       4.082487  
1 1 1 7   24  5  o 32.291  2.9305 52.411   9.2387  56.770   14.022  49.066   12.281  33.266  4.3767 30.959  4.1215 2.307589       6.011852  
1 1 1 7   24  6  o 33.824  2.5907 57.246   8.5834  55.686   12.266  58.743   12.015  33.091  3.8262 34.046  3.6315 -0.9555397     5.275133  
1 1 1 7   24  7  o 59.308  1.6653 174.165  9.7487  175.462  12.256  171.932  16.085  59.472  2.0879 58.755  2.7737 0.7173615      3.471674  
1 1 1 7   24  8  o 27.051  10.796 28.700   43.460  0.0000   0.0000  28.700   43.460  ?       ?      27.051  10.796 0.000000       10.79626  
1 1 1 7   24  9  o 56.335  2.0615 157.387  11.463  157.634  16.832  157.173  15.653  56.138  3.0492 56.106  2.8358 0.3205872E-01  4.164029  
1 1 1 7   24  10 o 79.097  6.4778 325.203  50.130  317.721  70.724  332.757  71.065  75.929  9.6552 77.899  9.4349 -1.970383      13.49963  
1 1 1 7   24  11 o 52.580  4.0809 139.779  21.014  127.805  23.036  199.150  51.293  50.062  4.7175 60.449  8.8597 -10.38703      10.03736  
1 1 1 7   24  12 o 39.572  1.7763 77.558   6.9382  76.495   7.6949  82.180   16.044  39.232  1.9937 40.230  4.0976 -0.9984474     4.556926  
1 1 1 7   24  13 o 31.244  1.8831 48.548   5.7801  69.630   16.737  45.693   6.1590  36.817  4.7141 30.283  2.0730 6.533514       5.149796  
1 1 1 7   24  14 o 8.5123  2.0237 3.7377   1.6754  2.5045   2.4823  4.7695   2.2705  7.5791  2.6699 9.6107  2.4006 -2.031544      3.590417  
1 1 1 7   24  15 o 50.881  2.6744 129.260  13.384  132.117  19.508  126.719  18.397  51.116  3.8958 50.100  3.7475 1.015625       5.405649  
1 1 1 7   24  16 o 12.214  5.4625 -4.8751  13.505  4.1734   21.664  -10.6258 17.271  17.429  7.3535 12.986  5.9527 4.443334       9.460852  
1 1 1 7   24  17 o 17.347  6.0839 14.224   12.880  24.794   18.592  4.4693   17.861  21.932  7.3203 16.125  6.7320 5.806314       9.945202  
1 1 1 7   24  18 o 110.881 6.7589 651.039  73.618  671.716  104.584 630.732  103.646 108.604 9.8639 104.830 10.144 3.773567       14.14890  
1 1 1 7   24  19 o 35.128  4.7339 64.132   15.996  72.414   26.397  59.326   20.108  36.057  7.6539 33.114  6.3834 2.942520       9.966423  
1 1 1 7   24  20 f 25.206  5.3181 34.003   12.815  31.876   19.743  35.551   16.846  24.103  7.4996 25.412  6.6423 -1.308060      10.01817  
1 1 1 7   24  21 o 17.081  5.9655 14.151   12.377  10.998   19.216  16.387   16.181  17.939  7.1724 18.668  6.7874 -0.7286148     9.874764  
1 1 1 7   24  22 f 6.2020  2.7476 -1.0831  3.3351  7.7594   20.400  -1.3259  3.3805  17.468  7.2352 6.1470  2.7422 11.32095       7.737457  
1 1 1 7   24  23 o 57.739  1.7225 165.603  9.8167  187.899  13.936  143.642  13.831  61.347  2.3015 53.547  2.6168 7.799416       3.484913  
1 1 1 7   25  5  o 42.531  2.5154 90.414   10.513  96.737   15.400  84.896   14.386  43.716  3.6012 40.936  3.5969 2.779461       5.089769  
1 1 1 7   25  6  o 97.366  1.9733 470.474  18.964  487.754  27.110  453.917  26.538  98.869  2.7781 95.362  2.8194 3.506790       3.958114  
1 1 1 7   25  7  o 58.680  2.0024 170.897  11.598  179.856  16.912  162.942  15.936  60.025  2.8545 57.139  2.8256 2.885559       4.016480  
1 1 1 7   25  8  o 34.348  1.5676 58.425   5.3146  57.503   5.8059  63.193   13.201  34.019  1.7349 35.218  3.8607 -1.199547      4.232627  
1 1 1 7   25  9  o 62.640  6.9989 209.101  42.533  199.752  60.869  218.021  59.457  58.259  10.988 61.655  10.122 -3.395653      14.93943  
1 1 1 7   25  10 o 19.072  5.3972 19.224   10.617  21.543   15.247  17.042   14.793  20.418  6.6204 18.760  6.5234 1.658106       9.294334  
1 1 1 7   25  11 o 36.914  1.5181 67.473   5.5311  39.578   17.667  70.505   5.8239  26.957  6.6751 37.730  1.5638 -10.77330      6.855820  
1 1 1 7   25  12 o 31.626  1.6998 49.714   5.2866  48.403   5.5569  62.218   17.159  31.190  1.8129 34.490  5.2020 -3.300449      5.508801  
1 1 1 7   25  13 o 17.470  5.9915 14.867   12.458  11.141   18.392  18.026   16.935  17.895  7.0606 19.488  6.9620 -1.593136      9.915751  
1 1 1 7   25  14 o 50.048  1.7370 124.194  8.5806  126.593  17.084  123.384  9.9230  50.068  3.4786 49.845  2.0169 0.2230453      4.021035  
1 1 1 7   25  15 f 22.530  5.2748 27.140   11.523  25.650   16.860  28.447   15.786  21.952  6.9454 22.908  6.6131 -0.9566975     9.590172  
1 1 1 7   25  16 f 40.249  1.2436 80.156   4.9406  79.687   6.1785  80.988   8.2280  40.102  1.5609 40.313  2.0749 -0.2114220     2.596454  
1 1 1 7   25  17 o 54.553  7.3612 162.710  38.624  144.070  54.837  181.062  54.411  47.850  11.707 55.127  10.381 -7.277107      15.64642  
1 1 1 7   25  18 o 32.388  1.3730 51.947   4.3893  69.383   20.844  51.138   4.4900  35.897  6.1011 32.131  1.4157 3.766224       6.263216  
1 1 1 7   25  19 o 4.8547  2.3000 -3.5089  2.9429  4.2759   23.463  -3.6333  2.9663  17.733  7.5737 4.8438  2.2990 12.88943       7.914920  
1 1 1 7   25  20 o 45.136  1.7852 101.193  7.9532  110.511  10.985  90.930   11.529  46.994  2.3760 42.511  2.7627 4.483570       3.643910  
1 1 1 7   25  21 o 43.701  1.7077 94.852   7.3660  81.038   22.836  96.456   7.7820  38.563  6.2102 44.055  1.7896 -5.491665      6.462934  
1 1 1 7   25  22 o 33.532  8.8476 68.272   29.708  73.658   42.819  63.272   41.253  33.260  11.109 31.199  10.891 2.060759       15.55744  
1 1 1 7   26  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 7   26  8  f 75.875  10.297 338.622  75.122  338.622  75.122  0.0000   0.0000  75.875  10.297 ?       ?      0.000000       10.29676  
1 1 1 7   26  9  o 14.579  1.5856 10.657   2.2449  10.741   2.2667  6.3845   16.224  14.635  1.5950 15.899  6.5045 -1.263673      6.697180  
1 1 1 7   26  10 o 25.610  1.5220 32.610   3.8300  -11.0058 53.078  32.839   3.8401  23.100  10.531 25.700  1.5206 -2.600529      10.63980  
1 1 1 7   26  11 o 20.935  1.2814 21.772   2.6351  11.710   15.959  22.054   2.6717  17.251  6.6427 21.070  1.2909 -3.818653      6.766924  
1 1 1 7   26  12 o 37.850  1.7300 71.069   6.4631  71.395   7.0557  69.373   16.112  37.918  1.8852 36.586  4.5606 1.331451       4.934892  
1 1 1 7   26  13 f 36.770  3.2957 68.521   11.834  69.429   16.907  67.649   16.570  36.491  4.8114 36.026  4.7778 0.4644585      6.780592  
1 1 1 7   26  14 o 68.093  2.0239 230.533  13.602  243.473  22.741  223.325  16.974  69.546  3.3128 66.867  2.5718 2.678497       4.193891  
1 1 1 7   26  15 o 38.195  8.4873 84.111   31.167  88.537   44.084  79.687   44.069  37.444  11.120 35.521  11.228 1.922844       15.80216  
1 1 1 7   26  16 o 25.045  8.9027 34.028   27.660  31.656   39.636  36.279   38.618  25.856  10.313 26.566  10.304 -0.7098064     14.57836  
1 1 1 7   26  17 o 11.548  5.1125 -2.6861  11.529  13.896   17.017  -16.7531 15.674  18.033  6.8796 11.182  5.3007 6.851173       8.684788  
1 1 1 7   26  18 o 29.122  4.7723 44.866   13.242  48.737   20.877  42.259   17.129  29.278  7.2599 27.581  6.4135 1.697027       9.687038  
1 1 1 7   26  19 o 47.537  3.2588 114.734  15.198  110.505  24.054  117.545  19.609  45.531  5.4613 47.681  4.2097 -2.150143      6.895467  
1 1 1 7   26  20 o 21.565  1.9308 23.344   4.0664  32.712   58.048  23.297   4.0764  27.082  11.742 21.542  1.9379 5.539173       11.90103  
1 1 1 7   27  11 o 31.529  11.949 63.046   51.120  63.046   51.120  0.0000   0.0000  31.529  11.949 ?       ?      0.000000       11.94868  
1 1 1 7   27  12 o 40.699  1.7869 82.312   7.1782  81.768   7.7808  85.423   18.603  40.538  1.9446 40.387  4.7578 0.1507645      5.139897  
1 1 1 7   27  13 o 49.088  2.8541 121.436  13.769  134.612  19.078  107.110  19.892  51.293  3.7952 45.395  4.4989 5.898102       5.885867  
1 1 1 7   27  14 o 22.778  8.1933 27.627   23.493  34.193   31.483  19.377   35.291  25.106  9.4067 22.813  9.4883 2.292953       13.36090  
1 1 1 7   27  15 o 65.176  7.2437 236.959  45.812  227.452  64.100  246.885  65.497  59.238  11.376 62.143  11.085 -2.904831      15.88367  
1 1 1 7   27  16 o 21.796  6.0360 26.351   13.430  27.993   17.396  23.928   21.131  22.361  7.0527 21.399  7.7600 0.9617386      10.48612  
1 1 1 7   27  17 o 24.693  8.8908 34.905   27.670  41.104   39.737  29.070   38.552  26.688  10.424 24.521  10.029 2.166380       14.46495  
1 1 1 8   -21 0  o 34.958  1.0446 60.414   3.6044  64.231   6.0497  58.313   4.4879  35.994  1.7028 34.327  1.3246 1.667450       2.157328  
1 1 1 8   -21 1  o 26.031  1.1160 33.508   2.8673  27.686   3.9630  39.904   4.1538  23.568  1.7154 28.346  1.4899 -4.777868      2.272065  
1 1 1 8   -20 0  o 35.002  2.7950 61.458   9.5758  69.750   13.178  52.183   13.938  37.103  3.6455 31.786  4.5743 5.316757       5.849282  
1 1 1 8   -20 1  o 60.360  1.6459 180.447  9.8056  171.777  11.938  198.432  17.193  58.834  2.0557 63.094  2.7607 -4.260220      3.442005  
1 1 1 8   -20 2  o 8.7706  2.3670 3.9527   2.0967  3.6710   2.1205  16.273   14.022  8.4873  2.4156 18.368  6.3532 -9.880681      6.796955  
1 1 1 8   -20 3  o 18.609  1.1588 17.189   2.1179  14.595   11.055  17.287   2.1579  17.110  5.6417 18.661  1.1776 -1.551344      5.763290  
1 1 1 8   -20 4  o 82.063  6.8867 357.570  55.266  370.185  78.038  344.877  78.278  80.473  10.043 77.117  10.561 3.355659       14.57448  
1 1 1 8   -19 0  o 75.260  1.8220 280.523  13.535  262.334  18.565  301.161  19.775  72.649  2.5890 77.843  2.5737 -5.193977      3.650574  
1 1 1 8   -19 1  o 29.951  1.1354 44.336   3.3565  41.298   4.7212  47.440   4.7728  28.836  1.6659 30.922  1.5689 -2.086718      2.288349  
1 1 1 8   -19 2  o 65.453  1.8233 212.228  11.780  207.965  16.186  217.029  17.176  64.678  2.5354 66.053  2.6345 -1.375198      3.656315  
1 1 1 8   -19 3  o 22.246  0.9586 24.450   2.1049  24.258   3.5116  24.557   2.6297  22.078  1.6228 22.256  1.2016 -0.1781158     2.019225  
1 1 1 8   -19 4  o 22.726  5.3198 27.343   11.722  33.200   15.645  19.848   17.698  24.883  6.3493 20.357  7.1321 4.526634       9.548800  
1 1 1 8   -19 5  o 87.605  6.6508 401.380  57.080  416.879  80.795  385.935  80.652  86.748  9.5968 83.021  10.047 3.727325       13.89373  
1 1 1 8   -18 0  o 52.560  1.5972 136.612  8.2863  134.627  9.8422  141.446  15.356  52.155  1.9119 53.277  2.9315 -1.122532      3.499868  
1 1 1 8   -18 1  o 48.030  4.3583 116.549  20.437  132.575  46.475  112.707  22.755  49.133  9.9249 47.060  4.9741 2.072689       11.10158  
1 1 1 8   -18 2  f 72.391  6.6180 270.712  46.764  278.093  66.187  263.355  66.082  71.697  9.5932 69.551  9.9061 2.146782       13.78986  
1 1 1 8   -18 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -18 4  o 101.116 6.5836 528.609  65.349  529.628  92.277  527.584  92.558  98.772  9.5859 98.530  9.6408 0.2424011      13.59539  
1 1 1 8   -18 5  o 37.789  2.6799 71.350   9.9309  65.052   14.596  76.780   13.551  35.742  4.2185 39.031  3.5566 -3.289139      5.517717  
1 1 1 8   -18 6  o 42.724  1.4937 90.301   6.2989  82.323   7.4815  109.724  11.674  40.767  1.8593 46.924  2.5298 -6.157555      3.139575  
1 1 1 8   -18 7  o 40.185  2.0525 80.281   8.1137  75.378   11.478  85.180   11.471  38.766  3.0236 41.262  2.8338 -2.495644      4.143979  
1 1 1 8   -17 0  o 46.912  7.4068 114.482  33.158  97.093   47.294  131.293  46.501  42.104  11.189 49.448  9.8731 -7.344116      14.92215  
1 1 1 8   -17 1  o 114.950 6.5409 671.069  73.906  685.623  104.464 656.484  104.576 114.559 9.3193 111.926 9.5576 2.633415       13.34905  
1 1 1 8   -17 2  f 43.500  1.9168 93.608   8.2298  93.007   11.081  94.347   12.291  43.238  2.6086 43.512  2.8780 -0.2741470     3.884280  
1 1 1 8   -17 3  o 63.882  1.3346 201.657  8.4151  194.237  10.905  212.578  13.230  62.667  1.7631 65.534  2.0453 -2.867062      2.700341  
1 1 1 8   -17 4  o 58.340  1.6637 168.338  9.5801  153.574  12.811  187.070  14.430  55.665  2.3316 61.431  2.3798 -5.766029      3.331653  
1 1 1 8   -17 5  o 76.008  1.4250 285.611  10.690  277.862  14.945  293.732  15.299  74.904  2.0214 77.014  2.0126 -2.110443      2.852458  
1 1 1 8   -17 6  o 51.419  1.4539 130.735  7.3788  129.257  9.1657  133.458  12.438  51.099  1.8173 51.861  2.4299 -0.7615776     3.034306  
1 1 1 8   -17 7  o 41.486  1.4079 85.101   5.7651  86.598   6.9216  81.708   10.418  41.833  1.6763 40.473  2.6218 1.359627       3.111894  
1 1 1 8   -17 8  o 44.291  1.2447 96.964   5.4413  97.876   7.4699  95.933   7.9420  44.469  1.7019 44.016  1.8281 0.4534225      2.497620  
1 1 1 8   -17 9  o 82.541  1.5312 337.088  12.475  346.755  18.799  329.482  16.675  83.587  2.2786 81.518  2.0724 2.068932       3.080060  
1 1 1 8   -16 0  o 58.613  1.3494 169.686  7.8066  162.458  13.281  173.501  9.6496  57.305  2.3481 59.257  1.6498 -1.952072      2.869736  
1 1 1 8   -16 1  o 102.044 1.6888 514.567  17.010  494.560  23.409  536.949  24.759  99.977  2.3722 104.169 2.4080 -4.192360      3.380228  
1 1 1 8   -16 2  o 101.772 1.6965 511.871  17.042  510.923  23.566  512.911  24.675  101.613 2.3496 101.798 2.4557 -0.1850128     3.398742  
1 1 1 8   -16 3  o 118.680 1.9015 696.425  22.275  684.869  32.629  706.512  30.484  117.560 2.8119 119.441 2.5857 -1.880920      3.820068  
1 1 1 8   -16 4  o 63.651  1.5013 200.206  9.4318  196.065  13.812  203.825  12.911  62.941  2.2233 64.189  2.0377 -1.248013      3.015869  
1 1 1 8   -16 5  o 42.780  1.4497 90.441   6.1213  102.894  11.077  84.966   7.3446  45.505  2.4755 41.450  1.7952 4.055065       3.057892  
1 1 1 8   -16 6  o 77.371  1.7785 296.105  13.582  336.496  23.187  275.008  16.757  82.332  2.8533 74.509  2.2786 7.822639       3.651449  
1 1 1 8   -16 7  o 19.912  1.4462 19.703   2.8229  19.662   2.9553  20.125   9.5379  19.884  1.5173 19.626  4.9302 0.2585068      5.158355  
1 1 1 8   -16 8  o 67.508  1.4205 225.305  9.4651  218.331  14.080  231.055  12.785  66.380  2.1490 68.317  1.8960 -1.937088      2.865800  
1 1 1 8   -16 9  o 107.285 1.7042 569.522  18.047  565.116  25.445  573.981  25.599  106.729 2.4154 107.564 2.4112 -0.8348541     3.412910  
1 1 1 8   -16 10 o 28.418  1.3368 39.924   3.7497  35.219   9.7240  40.746   4.0640  26.257  3.8679 28.705  1.4344 -2.448122      4.125313  
1 1 1 8   -15 0  o 51.422  1.7423 130.643  8.8431  117.345  12.190  145.415  12.848  48.638  2.5480 54.224  2.4005 -5.586514      3.500723  
1 1 1 8   -15 1  o 76.284  1.6147 287.467  12.158  274.819  16.404  302.878  18.108  74.554  2.2292 78.260  2.3442 -3.705872      3.234957  
1 1 1 8   -15 2  f 120.644 1.8280 719.232  21.767  706.316  30.262  733.080  31.334  119.482 2.5660 121.720 2.6081 -2.237648      3.658752  
1 1 1 8   -15 3  o 163.962 2.5819 1330.27  41.784  1397.64  67.029  1287.45  53.438  167.738 4.0485 161.153 3.3595 6.584625       5.260881  
1 1 1 8   -15 4  o 113.180 1.8044 633.062  20.158  645.547  29.022  621.426  28.019  114.209 2.5745 112.060 2.5332 2.148994       3.611799  
1 1 1 8   -15 5  o 30.995  1.2794 47.449   3.9141  31.233   9.4357  50.819   4.3017  24.757  3.9976 32.075  1.3587 -7.318655      4.222198  
1 1 1 8   -15 6  o 66.083  1.3501 215.729  8.8066  213.020  13.066  217.985  11.922  65.628  2.0170 66.402  1.8189 -0.7737732     2.716045  
1 1 1 8   -15 7  o 43.773  1.2145 94.645   5.2472  62.936   39.484  95.215   5.2941  34.386  10.591 43.904  1.2217 -9.518085      10.66081  
1 1 1 8   -15 8  o 14.703  3.6562 11.190   5.2836  7.2076   7.4870  15.141   7.4575  12.959  4.6291 17.081  4.3972 -4.122159      6.384668  
1 1 1 8   -15 9  o 68.219  1.4412 230.048  9.7046  225.019  13.727  235.073  13.722  67.413  2.0630 68.907  2.0175 -1.494514      2.885528  
1 1 1 8   -15 10 o 113.290 1.6933 634.903  18.935  660.543  27.318  611.193  26.269  115.419 2.3979 111.024 2.3971 4.395042       3.390615  
1 1 1 8   -15 11 o 29.209  2.0594 42.467   5.8992  45.875   8.2433  38.890   8.4457  30.260  2.7914 27.781  3.1349 2.478935       4.197525  
1 1 1 8   -14 0  o 60.405  1.4691 180.198  8.7589  179.454  11.826  181.103  13.037  60.263  1.9881 60.532  2.1820 -0.2684860     2.951858  
1 1 1 8   -14 1  o 119.965 1.8193 710.998  21.542  684.242  29.285  742.547  31.801  117.629 2.5224 122.527 2.6295 -4.898483      3.643680  
1 1 1 8   -14 2  o 104.826 1.6739 542.795  17.320  524.204  24.239  562.188  24.757  102.967 2.3850 106.635 2.3521 -3.668030      3.349699  
1 1 1 8   -14 3  o 56.488  1.5348 157.598  8.5572  143.934  11.490  174.615  12.822  53.963  2.1573 59.435  2.1857 -5.472565      3.071013  
1 1 1 8   -14 4  o 39.163  1.0816 75.725   4.1811  71.551   5.8946  79.951   5.9314  38.060  1.5691 40.234  1.4936 -2.173656      2.166291  
1 1 1 8   -14 5  o 58.653  1.4675 169.913  8.4956  166.779  11.689  173.423  12.370  58.089  2.0386 59.231  2.1158 -1.142334      2.938135  
1 1 1 8   -14 6  o 70.257  1.6394 243.861  11.369  249.033  13.561  231.629  20.855  70.983  1.9355 68.379  3.0899 2.604050       3.646056  
1 1 1 8   -14 7  o 32.521  1.9020 52.459   6.0789  52.326   8.5818  52.593   8.6120  32.396  2.7087 32.479  2.7112 -0.8283615E-01 3.832400  
1 1 1 8   -14 8  o 149.963 2.8489 1114.54  42.169  1316.04  142.441 1095.18  44.148  159.695 9.0741 148.618 3.0095 11.07675       9.560205  
1 1 1 8   -14 9  o 58.764  1.2850 170.594  7.4535  171.303  11.431  170.070  9.8309  58.847  1.9680 58.652  1.6981 0.1945572      2.599348  
1 1 1 8   -14 10 o 84.519  1.5632 353.142  13.041  340.021  17.813  368.297  19.144  82.867  2.1779 86.234  2.2491 -3.367378      3.130760  
1 1 1 8   -14 11 o 69.048  1.3446 235.616  9.1637  223.383  13.277  246.744  12.663  67.176  2.0025 70.620  1.8167 -3.444267      2.703761  
1 1 1 8   -14 12 o 43.846  1.5847 95.068   6.8584  103.923  9.5473  85.627   9.8586  45.807  2.1116 41.487  2.4180 4.319569       3.210246  
1 1 1 8   -14 13 o 72.867  1.4923 262.559  10.733  257.860  15.072  267.393  15.288  72.140  2.1168 73.462  2.1084 -1.322556      2.987624  
1 1 1 8   -13 0  o 35.645  1.2941 62.734   4.5531  62.937   5.3523  62.203   8.6610  35.699  1.5190 35.383  2.4959 0.3160477      2.921815  
1 1 1 8   -13 1  o 73.039  1.3470 263.411  9.7105  260.729  13.614  266.189  13.855  72.648  1.8985 73.404  1.9123 -0.7562332     2.694670  
1 1 1 8   -13 2  o 117.770 1.8089 685.134  21.028  671.434  27.615  704.038  32.438  116.545 2.4006 119.310 2.7545 -2.765091      3.653842  
1 1 1 8   -13 3  o 129.218 2.0956 825.081  26.728  821.994  37.452  828.286  38.157  128.896 2.9437 129.384 2.9879 -0.4875336     4.194407  
1 1 1 8   -13 4  o 137.588 2.0408 935.406  27.716  935.525  36.330  935.240  42.867  137.537 2.6762 137.459 3.1595 0.7800293E-01  4.140595  
1 1 1 8   -13 5  o 124.701 1.9722 768.351  24.275  783.604  31.688  746.686  37.765  125.883 2.5503 122.822 3.1152 3.060959       4.025970  
1 1 1 8   -13 6  o 41.934  1.2025 86.824   4.9771  90.047   7.0961  83.702   6.9827  42.696  1.6838 41.163  1.7186 1.532642       2.406026  
1 1 1 8   -13 7  o 129.622 1.8893 830.232  24.172  825.690  32.917  835.548  35.609  129.198 2.5812 129.943 2.7764 -0.7453766     3.790908  
1 1 1 8   -13 8  f 63.247  1.4536 197.576  9.0743  218.180  12.922  177.531  12.746  66.440  1.9705 59.923  2.1550 6.516800       2.920050  
1 1 1 8   -13 9  o 86.924  2.0328 373.596  17.441  368.045  75.888  373.906  17.921  84.278  9.2763 86.956  2.0880 -2.678444      9.508415  
1 1 1 8   -13 10 o 57.964  1.3071 165.965  7.4783  162.492  11.238  168.726  10.019  57.320  1.9863 58.424  1.7374 -1.103657      2.638908  
1 1 1 8   -13 11 o 63.917  1.9754 202.118  12.462  180.825  16.570  229.844  18.909  60.383  2.7803 68.073  2.8142 -7.690243      3.955941  
1 1 1 8   -13 12 o 23.465  7.1892 28.346   18.222  23.208   25.996  33.309   25.550  23.264  8.5809 25.799  8.5803 -2.534292      12.13476  
1 1 1 8   -13 13 o 20.874  7.5803 19.027   20.174  17.106   24.596  22.976   35.267  21.457  8.2505 25.121  9.8179 -3.664862      12.82430  
1 1 1 8   -13 14 o 29.459  7.4326 46.463   21.611  47.657   31.052  45.341   30.095  29.944  9.4200 29.291  9.2806 0.6529217      13.22370  
1 1 1 8   -12 0  o 120.229 2.3234 714.380  27.573  726.816  28.591  549.102  104.233 121.267 2.3887 103.591 10.332 17.67495       10.60442  
1 1 1 8   -12 1  o 81.256  1.4720 326.031  11.806  330.795  16.680  321.251  16.711  81.825  2.0653 80.635  2.0997 1.190552       2.945170  
1 1 1 8   -12 2  o 33.119  1.0864 54.149   3.5514  53.267   3.9226  58.158   8.3642  32.847  1.2099 34.210  2.4942 -1.363373      2.772177  
1 1 1 8   -12 3  o 182.358 2.4742 1643.79  44.535  1627.67  63.728  1659.17  62.262  181.307 3.5611 183.072 3.4456 -1.765106      4.955138  
1 1 1 8   -12 4  o 35.751  1.0511 63.097   3.7092  60.163   5.2424  66.039   5.2488  34.904  1.5217 36.570  1.4541 -1.665794      2.104739  
1 1 1 8   -12 5  o 82.754  2.3021 338.450  18.804  339.879  24.955  336.572  28.601  82.884  3.0504 82.446  3.5146 0.4378281      4.653796  
1 1 1 8   -12 6  o 122.321 9.2115 759.675  110.399 759.675  110.399 0.0000   0.0000  122.321 9.2115 ?       ?      0.000000       9.211539  
1 1 1 8   -12 7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -12 8  o 28.141  9.1925 38.832   29.375  38.832   29.375  0.0000   0.0000  28.141  9.1925 ?       ?      0.000000       9.192541  
1 1 1 8   -12 9  f 56.072  9.7063 164.360  51.774  164.360  51.774  0.0000   0.0000  56.072  9.7063 ?       ?      0.000000       9.706304  
1 1 1 8   -12 10 o 41.161  10.013 90.320   40.290  90.320   40.290  0.0000   0.0000  41.161  10.013 ?       ?      0.000000       10.01271  
1 1 1 8   -12 11 o 157.714 7.8399 1264.12  122.043 1231.85  149.275 1329.19  211.943 154.127 9.8642 156.546 13.860 -2.418945      17.01167  
1 1 1 8   -12 12 o 69.627  7.5288 249.713  50.917  244.768  62.229  259.729  88.565  68.099  9.5181 68.019  13.666 0.7998657E-01  16.65389  
1 1 1 8   -12 13 o 34.979  7.2411 64.600   24.177  65.771   34.816  63.509   33.598  34.872  9.7404 34.302  9.5640 0.5702782      13.65078  
1 1 1 8   -12 14 o 68.357  7.7066 242.877  51.090  240.598  62.941  247.280  87.476  67.028  9.8033 65.509  13.956 1.519295       17.05492  
1 1 1 8   -12 15 o 41.659  7.0462 91.123   27.940  98.719   40.087  83.948   38.962  42.410  9.7768 39.006  10.056 3.403988       14.02524  
1 1 1 8   -11 0  o 143.529 2.1864 1017.82  30.975  1031.23  43.734  1004.31  43.877  144.393 3.0686 142.491 3.1197 1.902542       4.375917  
1 1 1 8   -11 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -11 2  o 66.973  7.3761 226.802  47.951  215.385  83.447  232.430  58.590  63.552  13.706 67.417  9.0318 -3.865742      16.41428  
1 1 1 8   -11 3  f 112.120 9.0545 636.328  99.347  0.0000   0.0000  636.328  99.347  ?       ?      112.120 9.0545 0.000000       9.054460  
1 1 1 8   -11 4  o 126.797 9.1811 813.466  114.126 0.0000   0.0000  813.466  114.126 ?       ?      126.797 9.1811 0.000000       9.181050  
1 1 1 8   -11 5  o 90.617  9.1892 417.535  81.054  0.0000   0.0000  417.535  81.054  ?       ?      90.617  9.1892 0.000000       9.189203  
1 1 1 8   -11 6  o 50.703  10.059 134.319  48.562  0.0000   0.0000  134.319  48.562  ?       ?      50.703  10.059 0.000000       10.05870  
1 1 1 8   -11 7  o 47.151  12.654 118.122  60.124  0.0000   0.0000  118.122  60.124  ?       ?      47.151  12.654 0.000000       12.65444  
1 1 1 8   -11 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -11 9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -11 10 o 107.015 13.460 605.180  139.030 605.180  139.030 0.0000   0.0000  107.015 13.460 ?       ?      0.000000       13.46002  
1 1 1 8   -11 11 o 53.016  9.7013 147.584  48.894  147.584  48.894  0.0000   0.0000  53.016  9.7013 ?       ?      0.000000       9.701292  
1 1 1 8   -11 12 o 247.993 5.7179 3079.55  139.961 3079.55  139.961 0.0000   0.0000  247.993 5.7179 ?       ?      0.000000       5.717868  
1 1 1 8   -11 13 f 79.373  1.9575 311.567  15.336  323.605  20.942  297.646  22.521  80.824  2.6251 77.477  2.9449 3.347008       3.945090  
1 1 1 8   -11 14 o 102.635 2.2238 521.494  22.528  572.964  32.945  476.287  30.875  107.423 3.1071 97.924  3.1944 9.498093       4.456253  
1 1 1 8   -11 15 o 127.855 2.1130 809.180  26.666  812.417  32.702  802.758  46.064  128.015 2.5881 126.962 3.6758 1.053131       4.495557  
1 1 1 8   -11 16 o 50.926  1.8601 128.322  9.3498  133.937  14.090  123.905  12.498  51.875  2.7618 49.921  2.5448 1.953667       3.755506  
1 1 1 8   -10 0  o 182.478 6.9638 1659.71  125.426 1651.82  177.564 1667.57  177.195 180.844 9.9863 181.736 9.9156 -0.8914032     14.07285  
1 1 1 8   -10 1  o 115.494 6.3462 665.761  72.067  653.253  101.823 678.316  102.014 113.717 9.1491 115.938 8.9848 -2.220268      12.82311  
1 1 1 8   -10 2  o 107.293 6.2908 574.801  66.330  562.805  93.860  586.769  93.749  105.497 9.1030 107.793 8.8907 -2.296005      12.72435  
1 1 1 8   -10 3  o 111.743 2.2631 616.909  24.961  663.664  35.725  572.313  34.890  115.842 3.1245 107.562 3.2863 8.279587       4.534566  
1 1 1 8   -10 4  o 60.050  1.3235 178.029  7.8448  162.416  10.878  194.949  11.324  57.344  1.9219 62.828  1.8261 -5.483692      2.651054  
1 1 1 8   -10 5  o 53.339  1.1787 140.450  6.2055  149.555  8.7270  131.138  8.8256  55.033  1.6066 51.531  1.7352 3.502254       2.364735  
1 1 1 8   -10 6  o 85.950  1.4377 364.755  12.197  348.890  18.016  378.181  16.573  84.035  2.1720 87.502  1.9189 -3.466774      2.898281  
1 1 1 8   -10 7  f 244.031 3.2905 2946.35  79.258  2831.78  124.080 3025.31  103.013 238.774 5.2648 247.080 4.2240 -8.305634      6.749822  
1 1 1 8   -10 8  o 162.582 2.4087 1306.31  38.653  1285.37  63.267  1318.79  48.825  161.081 3.9792 163.291 3.0293 -2.209412      5.001096  
1 1 1 8   -10 9  o 140.630 2.0844 977.071  28.932  993.901  42.506  962.542  39.493  141.750 3.0380 139.513 2.8680 2.236771       4.177920  
1 1 1 8   -10 10 o 179.264 2.6115 1588.83  46.208  1662.63  62.455  1499.56  68.685  183.256 3.4528 173.943 4.0006 9.312653       5.284564  
1 1 1 8   -10 11 o 51.326  1.3115 130.079  6.6441  121.839  9.3486  138.489  9.4445  49.660  1.9072 52.948  1.8072 -3.287445      2.627443  
1 1 1 8   -10 12 o 92.669  2.9299 425.065  26.799  428.134  27.598  374.382  112.157 92.995  3.0067 83.343  14.139 9.652702       14.45556  
1 1 1 8   -10 13 o 113.235 1.7141 633.577  19.158  637.138  27.123  630.031  27.065  113.483 2.4214 112.847 2.4299 0.6356583      3.430382  
1 1 1 8   -10 14 o 99.412  1.6353 488.405  16.046  506.867  21.923  467.100  23.550  101.217 2.1944 97.135  2.4563 4.082275       3.293697  
1 1 1 8   -10 15 o 65.457  1.3616 211.693  8.7973  219.831  12.558  203.851  12.328  66.668  1.9084 64.196  1.9455 2.471542       2.725288  
1 1 1 8   -10 16 o 66.348  1.3814 217.522  9.0463  209.249  12.756  225.892  12.831  65.032  1.9873 67.574  1.9238 -2.542084      2.765886  
1 1 1 8   -10 17 o 85.040  1.7572 357.708  14.750  340.766  25.512  366.215  18.077  82.801  3.1216 86.000  2.1296 -3.198662      3.778836  
1 1 1 8   -9  0  f 121.581 1.7708 729.913  21.251  750.862  29.941  708.647  30.167  123.282 2.4606 119.762 2.5520 3.520485       3.545004  
1 1 1 8   -9  1  o 105.242 1.5090 546.834  15.676  556.867  22.166  536.797  22.171  106.183 2.1150 104.250 2.1547 1.932579       3.019204  
1 1 1 8   -9  2  o 91.798  1.9953 416.181  18.079  408.913  78.784  416.585  18.575  89.943  8.9950 91.841  2.0490 -1.897972      9.225437  
1 1 1 8   -9  3  o 121.185 1.8916 725.258  22.626  716.890  33.341  732.402  30.806  120.435 2.8048 121.746 2.5635 -1.310806      3.799790  
1 1 1 8   -9  4  o 92.156  1.3947 419.294  12.687  420.004  17.934  418.582  17.949  92.217  1.9704 92.060  1.9753 0.1565094      2.789983  
1 1 1 8   -9  5  o 159.339 2.3117 1254.36  36.356  1305.58  48.983  1191.53  54.251  162.494 3.0541 155.184 3.5418 7.310410       4.676714  
1 1 1 8   -9  6  o 58.045  1.2334 166.327  7.0665  165.202  9.8166  167.538  10.180  57.839  1.7195 58.246  1.7708 -0.4064026     2.468285  
1 1 1 8   -9  7  o 163.923 2.1510 1327.44  34.802  1337.87  49.245  1317.03  49.191  164.486 3.0332 163.197 3.0538 1.288635       4.304167  
1 1 1 8   -9  8  o 180.676 2.3186 1612.93  41.348  1626.22  60.896  1601.55  56.321  181.296 3.4031 179.945 3.1710 1.350296       4.651447  
1 1 1 8   -9  9  o 165.684 2.3578 1356.47  38.559  1270.90  64.523  1404.00  48.090  160.174 4.0812 168.509 2.8914 -8.335648      5.001614  
1 1 1 8   -9  10 o 61.691  1.1863 187.886  7.2237  200.914  10.223  174.893  10.209  63.785  1.6237 59.509  1.7381 4.276367       2.378536  
1 1 1 8   -9  11 o 67.368  1.2617 224.073  8.3895  229.527  11.915  218.711  11.815  68.170  1.7708 66.544  1.7988 1.626305       2.524172  
1 1 1 8   -9  12 f 53.833  1.2412 143.081  6.5953  160.577  9.8233  128.721  8.8994  57.017  1.7455 51.049  1.7662 5.968510       2.483205  
1 1 1 8   -9  13 o 14.108  4.1173 10.056   6.0893  10.544   6.4007  5.4049   19.763  14.447  4.2227 17.488  7.1695 -3.040162      8.320669  
1 1 1 8   -9  14 o 111.424 1.8680 613.586  20.545  665.473  36.630  589.773  24.815  115.882 3.2025 109.201 2.3023 6.680756       3.944170  
1 1 1 8   -9  15 o 47.863  1.3089 113.154  6.1833  107.946  8.7994  118.235  8.6906  46.725  1.9080 48.907  1.8003 -2.181095      2.623247  
1 1 1 8   -9  16 o 121.102 1.8280 725.206  21.850  734.385  30.841  715.956  30.960  121.750 2.5664 120.205 2.6095 1.545166       3.660040  
1 1 1 8   -9  17 o 64.545  1.3638 205.845  8.6888  223.751  13.056  191.611  11.641  67.251  1.9669 62.239  1.8949 5.011677       2.731202  
1 1 1 8   -9  18 o 87.906  1.5070 381.987  13.075  375.787  18.988  387.579  18.032  87.108  2.2085 88.484  2.0647 -1.375702      3.023261  
1 1 1 8   -8  0  o 130.258 1.9305 837.797  24.821  825.125  34.967  850.667  35.238  129.234 2.7412 131.220 2.7207 -1.986053      3.862206  
1 1 1 8   -8  1  o 111.468 1.7805 613.479  19.590  602.276  28.766  623.168  26.752  110.415 2.6395 112.323 2.4130 -1.907906      3.576182  
1 1 1 8   -8  2  o 324.879 4.4027 5223.90  141.179 5250.85  190.801 5191.29  209.874 325.332 5.9418 323.292 6.5770 2.040466       8.863558  
1 1 1 8   -8  3  f 147.130 4.0407 1071.06  58.681  1159.49  134.594 1050.31  65.204  152.062 9.0077 145.650 4.5356 6.411850       10.08511  
1 1 1 8   -8  4  o 80.504  1.2835 319.933  10.199  307.849  14.092  333.224  14.779  78.959  1.8082 82.148  1.8227 -3.189323      2.567511  
1 1 1 8   -8  5  o 218.920 3.3061 2369.83  71.439  2457.75  112.356 2310.16  92.558  222.645 5.1127 215.996 4.3415 6.649078       6.707322  
1 1 1 8   -8  6  o 287.369 3.4275 4084.55  97.220  4178.51  137.542 3990.73  137.438 290.347 4.7994 283.720 4.9077 6.627106       6.864397  
1 1 1 8   -8  7  o 73.159  1.2675 264.225  9.1527  273.187  13.101  255.682  12.792  74.378  1.7846 71.955  1.8011 2.422752       2.535515  
1 1 1 8   -8  8  o 153.691 2.1866 1166.87  33.171  1126.15  43.067  1226.25  52.009  150.931 2.8909 157.451 3.3466 -6.520081      4.422319  
1 1 1 8   -8  9  o 207.913 2.8470 2136.99  58.426  2220.33  82.602  2053.55  82.651  211.762 3.9519 203.626 4.1123 8.136246       5.703383  
1 1 1 8   -8  10 o 138.117 2.1110 942.356  28.779  989.782  38.982  885.541  42.666  141.499 2.7911 133.803 3.2306 7.696411       4.269290  
1 1 1 8   -8  11 o 54.174  1.2225 144.888  6.5371  137.818  9.2859  151.835  9.2044  52.826  1.7809 55.449  1.6818 -2.623447      2.449494  
1 1 1 8   -8  12 o 230.299 2.8386 2622.61  64.525  2559.17  91.152  2686.34  91.352  227.265 4.0635 232.863 3.9745 -5.598175      5.684083  
1 1 1 8   -8  13 o 113.385 1.9003 635.099  21.268  622.334  26.003  660.897  36.965  112.212 2.3477 115.558 3.2408 -3.346680      4.001864  
1 1 1 8   -8  14 o 132.635 1.8356 869.143  24.030  850.836  33.929  887.569  34.039  131.158 2.6209 133.964 2.5743 -2.806503      3.673697  
1 1 1 8   -8  15 o 110.966 1.9704 608.632  21.581  570.716  40.965  623.199  25.390  107.218 3.8708 112.256 2.2915 -5.037498      4.498286  
1 1 1 8   -8  16 o 39.771  1.4376 78.142   5.6435  92.771   8.5768  66.972   7.4944  43.313  2.0062 36.740  2.0751 6.573009       2.886326  
1 1 1 8   -8  17 o 56.885  1.3695 159.872  7.6894  161.751  11.464  158.335  10.368  57.181  2.0312 56.585  1.8563 0.5959625      2.751605  
1 1 1 8   -8  18 o 107.207 1.6604 568.196  17.570  603.195  25.690  537.440  24.082  110.363 2.3583 104.176 2.3421 6.186394       3.323689  
1 1 1 8   -7  0  o 81.490  1.2957 327.792  10.422  333.097  14.736  322.483  14.741  82.139  1.8176 80.820  1.8479 1.319748       2.591987  
1 1 1 8   -7  1  f 154.526 2.1741 1179.08  33.160  1188.76  47.015  1169.51  46.776  155.116 3.0708 153.855 3.0802 1.261353       4.349376  
1 1 1 8   -7  2  o 96.109  1.3832 455.964  13.121  465.714  18.596  446.298  18.516  97.120  1.9399 95.073  1.9732 2.046829       2.767035  
1 1 1 8   -7  3  o 244.106 2.9739 2944.03  71.655  3045.53  97.534  2825.01  105.618 248.168 3.9818 238.952 4.4781 9.216644       5.992314  
1 1 1 8   -7  4  o 153.367 6.5501 1167.59  99.155  1121.32  140.073 1214.06  140.380 149.521 9.5409 155.696 9.1753 -6.174667      13.23687  
1 1 1 8   -7  5  o 170.209 2.6019 1431.21  43.712  1448.19  61.810  1414.22  61.826  171.132 3.6593 169.109 3.7040 2.022812       5.206706  
1 1 1 8   -7  6  o 51.760  1.0799 132.245  5.5173  138.130  8.2202  127.421  7.4427  52.894  1.5745 50.803  1.4843 2.090675       2.163815  
1 1 1 8   -7  7  o 108.431 1.6884 580.533  18.070  604.158  25.482  556.636  25.628  110.590 2.3345 106.146 2.4461 4.443481       3.381299  
1 1 1 8   -7  8  o 106.844 1.5760 563.646  16.621  553.705  23.417  573.738  23.594  105.872 2.2408 107.772 2.2180 -1.899284      3.152934  
1 1 1 8   -7  9  o 142.167 1.9753 998.235  27.718  1007.23  38.192  988.224  40.292  142.758 2.7104 141.392 2.8871 1.366867       3.959995  
1 1 1 8   -7  10 o 45.032  1.2129 100.110  5.3909  104.477  7.6873  95.885   7.5621  45.997  1.6932 44.065  1.7387 1.932579       2.426913  
1 1 1 8   -7  11 o 41.785  1.2744 86.195   5.2560  94.165   7.6084  78.919   7.2693  43.667  1.7653 39.975  1.8424 3.692005       2.551554  
1 1 1 8   -7  12 o 128.884 1.8459 820.392  23.483  835.815  34.618  807.247  31.960  130.035 2.6972 127.805 2.5335 2.229729       3.700494  
1 1 1 8   -7  13 o 93.093  1.4501 427.914  13.324  439.914  18.896  416.046  18.792  94.367  2.0287 91.770  2.0746 2.597755       2.901627  
1 1 1 8   -7  14 o 98.368  1.7135 477.908  16.636  464.413  20.178  506.556  29.399  96.949  2.1086 101.196 2.9433 -4.246895      3.620668  
1 1 1 8   -7  15 o 43.470  1.3445 93.309   5.7687  88.026   7.8679  99.450   8.4831  42.209  1.8885 44.864  1.9157 -2.654774      2.690030  
1 1 1 8   -7  16 o 69.320  1.4703 237.351  10.060  272.321  18.044  221.581  12.118  74.193  2.4640 66.961  1.8334 7.231964       3.071282  
1 1 1 8   -7  17 o 159.545 2.1590 1259.17  33.999  1303.24  46.512  1208.59  49.822  162.161 2.9059 156.083 3.2339 6.077698       4.347733  
1 1 1 8   -7  18 o 35.321  1.4909 61.648   5.1978  64.444   7.6667  59.270   7.0709  36.023  2.1663 34.549  2.0832 1.473183       3.005478  
1 1 1 8   -7  19 o 85.361  1.6329 360.204  13.758  379.040  23.627  350.540  16.923  87.433  2.7378 84.169  2.0370 3.263382       3.412463  
1 1 1 8   -6  0  o 302.371 5.0835 4523.19  151.718 4536.42  214.562 4509.95  214.562 302.444 7.1875 301.556 7.2086 0.8881226      10.17958  
1 1 1 8   -6  1  o 46.932  1.1687 108.718  5.4141  103.407  7.5750  114.264  7.7410  45.768  1.6768 48.111  1.6301 -2.343155      2.338582  
1 1 1 8   -6  2  o 312.563 4.5974 4831.27  141.836 4838.36  200.677 4824.19  200.497 312.474 6.5065 312.015 6.5103 0.4586792      9.204259  
1 1 1 8   -6  3  o 168.040 2.2804 1394.31  37.823  1428.24  55.979  1365.81  51.307  170.022 3.3357 166.275 3.1262 3.746414       4.571643  
1 1 1 8   -6  4  o 296.007 3.5617 4330.21  104.062 4295.61  147.132 4364.86  147.200 294.614 5.0596 296.985 5.0216 -2.371460      7.128536  
1 1 1 8   -6  5  o 145.234 2.7994 1041.95  40.129  1039.53  42.172  1065.15  130.530 145.058 2.9454 145.911 9.1089 -0.8530579     9.573249  
1 1 1 8   -6  6  o 148.590 2.1245 1090.30  31.159  1075.43  43.799  1105.54  44.338  147.529 3.0078 149.580 3.0031 -2.051041      4.250377  
1 1 1 8   -6  7  o 103.840 1.5485 532.337  15.871  503.796  22.394  561.141  22.497  100.998 2.2464 106.595 2.1383 -5.596977      3.101340  
1 1 1 8   -6  8  o 100.019 1.5559 493.901  15.360  515.241  21.696  472.457  21.749  102.138 2.1521 97.802  2.2530 4.336143       3.115718  
1 1 1 8   -6  9  o 70.547  1.2078 245.680  8.4100  239.825  12.081  251.185  11.715  69.691  1.7562 71.324  1.6641 -1.633469      2.419370  
1 1 1 8   -6  10 o 92.824  1.3635 425.376  12.492  412.786  17.589  438.191  17.746  91.423  1.9491 94.196  1.9087 -2.772766      2.728035  
1 1 1 8   -6  11 o 75.097  1.2636 278.406  9.3658  263.963  13.322  292.522  13.170  73.110  1.8461 76.966  1.7336 -3.856483      2.532499  
1 1 1 8   -6  12 o 212.190 2.6273 2225.15  55.026  2265.54  77.847  2184.82  77.791  213.962 3.6861 210.105 3.7511 3.856461       5.259125  
1 1 1 8   -6  13 o 138.503 1.7644 947.356  24.121  971.388  34.156  923.444  34.070  140.205 2.4681 136.697 2.5251 3.507950       3.530985  
1 1 1 8   -6  14 o 171.166 2.2916 1447.66  38.715  1458.69  52.543  1434.56  57.265  171.730 3.0998 170.264 3.4075 1.465408       4.606482  
1 1 1 8   -6  15 f 54.738  1.6933 147.980  9.1485  126.481  45.933  148.868  9.3356  49.187  9.8052 54.901  1.7228 -5.713528      9.955365  
1 1 1 8   -6  16 o 87.262  1.4669 376.056  12.635  379.811  17.153  371.603  18.681  87.671  1.9822 86.707  2.1828 0.9642181      2.948492  
1 1 1 8   -6  17 o 84.284  1.4213 350.878  11.824  335.166  16.426  367.775  17.034  82.341  2.0210 86.255  2.0008 -3.914047      2.843869  
1 1 1 8   -6  18 o 108.971 1.6330 586.830  17.564  610.559  25.125  564.151  24.563  111.079 2.2916 106.769 2.3308 4.309837       3.268645  
1 1 1 8   -6  19 o 116.540 1.7243 671.423  19.834  689.747  28.174  653.417  27.928  118.022 2.4185 114.865 2.4633 3.157471       3.452123  
1 1 1 8   -6  20 o 139.014 2.2204 956.709  30.466  1024.86  52.138  921.373  37.542  143.488 3.6813 136.299 2.7906 7.189133       4.619465  
1 1 1 8   -5  0  o 237.144 3.0514 2777.49  71.424  2791.10  101.057 2763.90  100.961 237.636 4.3084 236.473 4.3255 1.162323       6.105152  
1 1 1 8   -5  1  o 67.197  1.3283 222.877  8.8099  229.547  12.108  215.371  12.843  68.191  1.7989 66.050  1.9699 2.140846       2.667692  
1 1 1 8   -5  2  f 270.683 3.9247 3620.46  104.857 3647.97  148.287 3592.96  148.292 271.543 5.5326 269.483 5.5751 2.060303       7.854409  
1 1 1 8   -5  3  o 81.842  1.3196 330.609  10.660  333.692  14.898  327.373  15.260  82.217  1.8358 81.434  1.8986 0.7828979      2.640962  
1 1 1 8   -5  4  o 171.166 2.3193 1446.59  39.185  1431.66  55.320  1461.63  55.512  170.239 3.2922 172.013 3.2696 -1.774094      4.639911  
1 1 1 8   -5  5  o 181.382 2.5904 1624.71  46.376  1577.76  57.889  1708.83  77.486  178.707 3.2819 185.918 4.2225 -7.211044      5.347912  
1 1 1 8   -5  6  o 50.057  1.5639 123.695  7.7269  127.431  7.8920  37.193   37.973  50.807  1.5737 29.361  10.432 21.44619       10.54993  
1 1 1 8   -5  7  o 177.110 2.7336 1549.51  47.787  1521.37  67.576  1577.65  67.587  175.411 3.9030 178.632 3.8333 -3.220612      5.470608  
1 1 1 8   -5  8  o 93.226  1.4077 429.045  12.953  433.238  17.729  424.245  18.970  93.670  1.9176 92.688  2.0736 0.9813309      2.824320  
1 1 1 8   -5  9  o 142.469 2.0326 1002.37  28.583  1004.95  40.174  999.723  40.675  142.606 2.8541 142.232 2.8973 0.3741608      4.067003  
1 1 1 8   -5  10 o 220.335 2.8104 2399.22  61.120  2492.17  83.182  2290.15  90.107  224.441 3.7549 215.079 4.2445 9.362427       5.666995  
1 1 1 8   -5  11 o 134.742 1.8919 896.600  25.161  908.170  35.594  885.045  35.572  135.565 2.6601 133.826 2.6930 1.739288       3.785257  
1 1 1 8   -5  12 o 36.206  1.2920 64.716   4.6171  63.101   6.5892  66.274   6.4715  35.696  1.8767 36.634  1.7897 -0.9380074     2.593311  
1 1 1 8   -5  13 o 138.248 1.8597 943.888  25.376  975.842  35.973  912.234  35.803  140.523 2.5935 135.861 2.6699 4.662415       3.722206  
1 1 1 8   -5  14 o 236.201 3.0249 2758.71  70.523  2628.70  103.730 2870.45  96.168  230.284 4.5636 240.753 4.0469 -10.46878      6.099528  
1 1 1 8   -5  15 o 119.041 1.7284 699.843  20.308  715.178  28.724  684.518  28.716  120.299 2.4191 117.688 2.4720 2.610435       3.458724  
1 1 1 8   -5  16 o 158.408 3.8281 1243.26  59.854  1356.15  149.801 1221.82  65.292  163.626 9.3138 156.971 4.2141 6.655579       10.22285  
1 1 1 8   -5  17 o 240.439 2.9613 2861.43  70.277  2828.31  99.273  2894.71  99.502  238.686 4.2138 241.485 4.1745 -2.799011      5.931478  
1 1 1 8   -5  18 o 176.600 2.2993 1542.63  40.078  1503.04  56.511  1582.69  56.849  174.114 3.2883 178.684 3.2233 -4.569916      4.604610  
1 1 1 8   -5  19 o 53.933  1.4119 143.703  7.5161  132.593  10.731  154.402  10.530  51.773  2.0999 55.880  1.9092 -4.106991      2.838091  
1 1 1 8   -5  20 o 15.225  3.7692 11.987   5.6339  10.765   8.4158  12.980   7.5841  14.977  4.9217 15.939  4.5787 -0.9613295     6.722188  
1 1 1 8   -5  21 o 73.683  6.3911 277.039  46.021  278.767  65.260  275.330  64.907  72.616  9.3201 72.156  9.3323 0.4607620      13.18919  
1 1 1 8   -4  0  o 186.359 2.8639 1714.99  52.680  1729.94  74.500  1700.04  74.501  187.115 4.0338 185.489 4.0692 1.625687       5.729739  
1 1 1 8   -4  1  o 182.768 2.4640 1649.27  44.450  1672.80  62.913  1625.82  62.812  184.028 3.4636 181.424 3.5076 2.604187       4.929465  
1 1 1 8   -4  2  o 189.949 2.8663 1781.68  53.739  1735.13  75.992  1828.25  76.005  187.393 4.1085 192.361 4.0031 -4.968567      5.736210  
1 1 1 8   -4  3  o 245.308 2.8401 2971.54  68.766  3011.98  97.253  2931.11  97.247  246.902 3.9907 243.560 4.0452 3.341064       5.682340  
1 1 1 8   -4  4  f 156.265 1.9421 1205.45  29.955  1216.52  42.333  1194.34  42.393  156.959 2.7325 155.521 2.7617 1.438553       3.885011  
1 1 1 8   -4  5  o 376.523 4.7674 7009.37  177.176 7132.92  250.549 6885.79  250.581 379.492 6.6889 372.836 6.8092 6.656067       9.545008  
1 1 1 8   -4  6  o 334.201 6.4898 5532.79  214.079 5492.31  262.193 5613.76  370.795 332.656 7.9853 335.399 11.201 -2.742737      13.75563  
1 1 1 8   -4  7  o 128.280 2.0289 812.462  25.690  776.779  32.841  868.726  41.238  125.412 2.6530 132.608 3.1506 -7.195473      4.118845  
1 1 1 8   -4  8  o 344.778 4.0805 5878.06  138.863 5717.03  196.277 6039.44  196.486 339.670 5.8544 349.153 5.7014 -9.482635      8.171889  
1 1 1 8   -4  9  o 161.887 2.2780 1294.30  36.400  1242.82  51.177  1347.00  51.783  158.575 3.2697 165.094 3.1778 -6.519562      4.559524  
1 1 1 8   -4  10 o 102.593 1.5117 519.626  15.307  522.368  20.941  516.481  22.432  102.847 2.0629 102.260 2.2224 0.5866241      3.032238  
1 1 1 8   -4  11 o 27.037  1.5535 36.211   4.1284  35.803   5.8322  36.621   5.8446  26.831  2.2222 27.140  2.2007 -0.3086891     3.127539  
1 1 1 8   -4  12 o 33.772  1.1193 56.300   3.7312  63.088   6.6964  53.244   4.4934  35.691  1.9078 32.840  1.3862 2.850712       2.358212  
1 1 1 8   -4  13 o 43.878  1.1940 95.043   5.1711  103.893  7.4479  86.806   7.1853  45.870  1.6450 41.928  1.7362 3.942513       2.391773  
1 1 1 8   -4  14 o 190.787 2.4167 1798.48  45.509  1803.96  64.328  1792.98  64.392  190.968 3.4128 190.384 3.4266 0.5838165      4.836201  
1 1 1 8   -4  15 o 95.890  1.4984 454.005  14.182  437.373  19.273  473.647  20.944  94.097  2.0751 97.917  2.1671 -3.820297      3.000368  
1 1 1 8   -4  16 f 28.577  1.7670 40.486   4.9596  43.745   6.8870  36.976   7.1483  29.658  2.3725 27.216  2.6965 2.442263       3.591638  
1 1 1 8   -4  17 o 37.595  6.8949 72.823   24.643  68.720   34.876  76.914   34.824  36.210  9.6016 38.273  9.3081 -2.062565      13.37276  
1 1 1 8   -4  18 o 67.568  1.3640 225.464  9.0967  208.720  12.265  245.935  13.562  64.991  1.9120 70.545  1.9477 -5.554688      2.729326  
1 1 1 8   -4  19 o 32.483  1.7084 52.287   5.4581  53.423   8.0629  51.327   7.4155  32.759  2.5128 32.123  2.3552 0.6354713      3.443985  
1 1 1 8   -4  20 o 56.434  3.5522 158.864  19.685  158.864  19.685  0.0000   0.0000  56.434  3.5522 ?       ?      0.000000       3.552173  
1 1 1 8   -4  21 o 38.704  6.7179 77.912   24.733  82.336   35.406  73.695   34.565  39.115  9.3057 36.984  9.4375 2.131233       13.25376  
1 1 1 8   -3  0  o 81.646  1.5984 329.041  12.881  330.823  18.423  327.336  18.017  81.859  2.2801 81.427  2.2417 0.4320831      3.197465  
1 1 1 8   -3  1  o 354.515 4.1864 6209.90  146.490 6111.69  207.128 6308.19  207.208 351.486 5.9703 357.105 5.8786 -5.618958      8.378735  
1 1 1 8   -3  2  o 76.779  1.3150 290.961  9.9657  285.997  14.092  295.928  14.096  76.116  1.8756 77.427  1.8444 -1.310585      2.630578  
1 1 1 8   -3  3  o 109.091 1.6048 587.429  17.280  609.284  24.598  566.136  24.279  111.092 2.2433 107.086 2.2971 4.006683       3.210743  
1 1 1 8   -3  4  o 99.294  1.6857 486.669  16.521  486.471  23.363  486.866  23.366  99.264  2.3846 99.304  2.3839 -0.4032898E-01 3.371770  
1 1 1 8   -3  5  o 182.308 2.5396 1641.01  45.698  1673.64  64.696  1608.52  64.559  184.071 3.5609 180.452 3.6246 3.619537       5.081114  
1 1 1 8   -3  6  o 42.518  0.9640 89.224   4.0455  88.934   5.6093  89.538   5.8402  42.448  1.3388 42.591  1.3892 -0.1436653     1.929347  
1 1 1 8   -3  7  o 41.397  1.4961 84.593   6.1131  80.052   9.7811  87.503   7.8309  40.188  2.4779 42.101  1.8844 -1.913223      3.113039  
1 1 1 8   -3  8  o 91.801  1.3046 415.974  11.821  419.460  17.140  412.812  16.325  92.176  1.8839 91.444  1.8087 0.7320404      2.611553  
1 1 1 8   -3  9  o 266.554 3.6566 3511.93  96.206  3454.18  129.762 3582.43  143.364 264.180 4.9764 268.971 5.4001 -4.791595      7.343398  
1 1 1 8   -3  10 o 270.878 3.2846 3626.49  87.819  3605.89  124.136 3647.13  124.253 269.907 4.6596 271.449 4.6375 -1.542816      6.574084  
1 1 1 8   -3  11 o 142.257 1.8679 999.279  26.227  997.357  37.061  1001.21  37.121  142.081 2.6427 142.355 2.6419 -0.2741394     3.736724  
1 1 1 8   -3  12 o 179.597 2.3878 1593.41  42.329  1601.11  57.515  1584.30  62.522  179.956 3.2380 178.978 3.5392 0.9788971      4.796935  
1 1 1 8   -3  13 o 111.065 1.6115 609.068  17.666  566.630  24.777  652.949  25.195  107.098 2.3439 114.972 2.2202 -7.874374      3.228462  
1 1 1 8   -3  14 o 150.872 1.9877 1124.20  29.600  1105.15  41.801  1143.38  41.921  149.530 2.8322 152.097 2.7924 -2.567642      3.977283  
1 1 1 8   -3  15 o 149.401 2.0408 1102.48  30.094  1034.69  43.938  1162.40  41.304  144.658 3.0772 153.357 2.7287 -8.698944      4.112817  
1 1 1 8   -3  16 o 94.524  1.4369 441.145  13.406  431.859  18.627  451.125  19.309  93.504  2.0183 95.565  2.0470 -2.061691      2.874638  
1 1 1 8   -3  17 o 200.943 2.8815 1996.78  57.152  1950.87  76.999  2053.09  85.283  198.447 3.9311 203.516 4.2455 -5.068939      5.785980  
1 1 1 8   -3  18 o 148.753 2.9585 1094.88  43.438  1100.06  45.864  1049.72  135.367 149.084 3.1168 143.589 9.6066 5.494019       10.09959  
1 1 1 8   -3  19 o 11.814  1.6015 7.0205   1.8192  6.5857   1.8828  13.141   7.0641  11.418  1.7244 16.002  4.3557 -4.584441      4.684604  
1 1 1 8   -3  20 o 58.255  6.3558 172.672  35.952  179.015  51.046  166.429  50.645  58.432  9.1511 56.185  9.4690 2.247066       13.16829  
1 1 1 8   -3  21 o 164.419 6.9193 1369.92  112.291 1382.18  158.939 1357.70  158.669 162.651 9.9479 161.130 10.026 1.520660       14.12399  
1 1 1 8   -3  22 o 27.247  7.0061 39.161   18.947  45.112   27.064  33.442   26.534  29.287  8.7161 26.041  8.7451 3.246269       12.34692  
1 1 1 8   -2  0  o 206.326 2.4318 2101.73  49.524  2000.45  69.906  2203.77  70.169  201.251 3.5192 211.238 3.3654 -9.987305      4.869379  
1 1 1 8   -2  1  o 126.928 1.8655 795.263  23.372  768.029  33.095  822.359  33.010  124.721 2.6884 129.059 2.5914 -4.337990      3.733963  
1 1 1 8   -2  2  o 162.312 2.2316 1300.59  35.752  1327.71  47.964  1266.68  53.631  163.976 2.9635 160.149 3.3928 3.827301       4.504818  
1 1 1 8   -2  3  f 183.284 2.5271 1658.54  45.717  1638.28  64.515  1678.99  64.793  182.124 3.5889 184.374 3.5604 -2.250198      5.055355  
1 1 1 8   -2  4  o 124.825 1.6685 769.106  20.557  790.306  29.009  747.719  29.136  126.523 2.3229 123.066 2.3986 3.457573       3.339050  
1 1 1 8   -2  5  o 61.648  1.2798 187.582  7.7874  189.320  9.2744  183.427  14.339  61.932  1.5172 60.953  2.3833 0.9784813      2.825226  
1 1 1 8   -2  6  o 202.322 2.6315 2021.13  52.551  1946.72  77.685  2083.91  71.354  198.503 3.9649 205.402 3.5195 -6.898697      5.301658  
1 1 1 8   -2  7  o 123.857 1.9199 757.292  23.471  725.991  35.247  782.228  31.460  121.248 2.9452 125.867 2.5323 -4.618912      3.884159  
1 1 1 8   -2  8  o 177.531 3.6506 1557.15  63.970  1615.86  168.349 1547.25  69.157  180.028 9.5078 176.948 3.9596 3.079666       10.29938  
1 1 1 8   -2  9  o 96.846  1.4639 462.974  13.993  451.923  18.703  477.027  21.090  95.675  1.9805 98.292  2.1739 -2.617569      2.940789  
1 1 1 8   -2  10 o 64.375  1.1638 204.552  7.3948  208.018  10.068  200.492  10.897  64.914  1.5713 63.727  1.7324 1.187016       2.338863  
1 1 1 8   -2  11 o 106.242 1.6319 557.260  17.113  550.760  24.364  563.589  24.042  105.600 2.3375 106.825 2.2801 -1.224770      3.265378  
1 1 1 8   -2  12 o 146.776 2.0392 1063.90  29.543  1028.67  39.945  1106.46  43.895  144.283 2.8049 149.628 2.9722 -5.344727      4.086687  
1 1 1 8   -2  13 o 143.444 1.9465 1016.14  27.559  1036.84  39.013  995.526  38.935  144.852 2.7287 141.933 2.7792 2.918686       3.894842  
1 1 1 8   -2  14 o 37.578  1.2121 69.709   4.4958  68.373   5.7900  71.739   7.1345  37.213  1.5764 38.114  1.8965 -0.9011803     2.466081  
1 1 1 8   -2  15 o 159.384 2.1094 1254.76  33.184  1212.34  48.581  1291.86  45.435  156.585 3.1433 161.667 2.8473 -5.081528      4.241171  
1 1 1 8   -2  16 o 185.437 2.3712 1698.99  43.401  1730.45  61.395  1667.56  61.361  187.043 3.3255 183.605 3.3859 3.438034       4.745879  
1 1 1 8   -2  17 o 157.824 2.1635 1230.56  33.703  1199.14  49.338  1258.04  46.147  155.698 3.2105 159.507 2.9311 -3.808838      4.347215  
1 1 1 8   -2  18 o 147.922 2.0251 1081.02  29.567  1091.34  41.775  1070.65  41.853  148.550 2.8491 147.132 2.8820 1.418259       4.052547  
1 1 1 8   -2  19 f 71.608  1.4845 253.245  10.493  283.642  15.600  228.132  14.179  75.758  2.0862 67.940  2.1144 7.817604       2.970369  
1 1 1 8   -2  20 o 56.424  6.4681 161.854  35.372  165.254  50.823  158.661  49.261  56.116  9.5157 54.994  9.4136 1.121849       13.38519  
1 1 1 8   -2  21 o 46.653  7.6727 113.333  34.102  117.747  58.923  111.110  41.818  46.165  12.586 45.591  9.5965 0.5743141      15.82688  
1 1 1 8   -2  22 o 73.266  2.0649 265.567  14.932  314.909  64.724  262.793  15.346  77.837  8.5663 72.876  2.1335 4.961395       8.827991  
1 1 1 8   -2  23 o 25.699  2.7586 33.130   6.8878  25.351   10.323  39.374   9.2475  22.070  4.8692 27.932  3.4261 -5.861267      5.953753  
1 1 1 8   -1  0  o 280.018 7.9909 3885.05  220.860 3952.96  312.358 3817.16  312.329 281.913 11.225 276.989 11.424 4.923126       16.01616  
1 1 1 8   -1  1  o 387.433 13.712 7492.64  524.360 7329.02  741.525 7656.30  741.588 380.366 19.820 389.491 19.290 -9.125031      27.65726  
1 1 1 8   -1  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   -1  3  o 212.990 7.1127 2245.65  149.530 2302.83  211.502 2188.51  211.433 215.372 9.9493 209.926 10.204 5.446564       14.25170  
1 1 1 8   -1  4  o 231.960 7.3388 2664.08  168.025 2602.51  237.616 2725.66  237.629 228.871 10.518 234.260 10.277 -5.388092      14.70562  
1 1 1 8   -1  5  o 105.248 2.0700 546.827  21.504  569.307  30.034  523.180  30.804  107.378 2.8338 102.932 3.0319 4.445656       4.150032  
1 1 1 8   -1  6  o 269.241 3.8846 3581.01  103.234 3560.27  134.231 3611.03  161.515 268.369 5.0674 270.180 6.0565 -1.811127      7.896870  
1 1 1 8   -1  7  o 237.708 3.0865 2790.41  72.417  2779.65  102.296 2801.23  102.530 237.173 4.3698 238.093 4.3629 -0.9193268     6.174906  
1 1 1 8   -1  8  o 142.248 2.1205 998.933  29.773  946.203  44.339  1042.23  40.178  138.412 3.2455 145.280 2.8019 -6.867874      4.287618  
1 1 1 8   -1  9  o 66.637  2.4194 219.257  15.913  225.852  56.430  218.688  16.586  66.874  8.7597 66.549  2.5251 0.3248978      9.116357  
1 1 1 8   -1  10 o 169.861 2.2632 1424.68  37.945  1425.89  51.535  1423.24  56.078  169.896 3.0732 169.724 3.3475 0.1728821      4.544214  
1 1 1 8   -1  11 o 56.707  1.2040 158.727  6.7393  147.863  9.5268  169.608  9.5348  54.726  1.7637 58.614  1.6481 -3.887543      2.413846  
1 1 1 8   -1  12 o 203.061 2.6504 2037.02  53.122  2032.64  72.030  2042.24  78.657  202.757 3.5992 203.200 3.9218 -0.4429779     5.323017  
1 1 1 8   -1  13 o 225.122 2.8959 2504.58  64.348  2489.68  87.371  2522.25  95.127  224.320 3.9461 225.733 4.2695 -1.413376      5.813755  
1 1 1 8   -1  14 o 166.093 2.2881 1362.72  37.511  1324.10  52.812  1402.04  53.289  163.644 3.2697 168.397 3.2060 -4.753372      4.579228  
1 1 1 8   -1  15 o 37.922  1.4146 70.997   5.2949  69.053   6.9933  73.609   8.1056  37.345  1.9035 38.544  2.1389 -1.199780      2.863298  
1 1 1 8   -1  16 o 138.607 1.9839 948.871  27.141  959.345  36.811  936.394  40.177  139.326 2.6768 137.628 2.9575 1.697784       3.989004  
1 1 1 8   -1  17 o 139.956 1.9708 967.468  27.225  930.306  39.692  1000.49  37.413  137.174 2.9316 142.276 2.6642 -5.102203      3.961295  
1 1 1 8   -1  18 o 110.957 1.6222 607.970  17.766  595.294  24.981  620.944  25.272  109.760 2.3058 112.101 2.2840 -2.341087      3.245553  
1 1 1 8   -1  19 o 169.931 2.4940 1427.61  41.831  1502.82  52.682  1299.28  68.816  174.272 3.0627 161.832 4.3082 12.44031       5.285845  
1 1 1 8   -1  20 o 14.784  5.8245 6.2202   12.498  -0.2018  19.057  11.067   16.556  15.977  6.8247 17.775  6.7845 -1.797751      9.623201  
1 1 1 8   -1  21 o 119.983 6.5175 726.677  76.896  727.021  107.860 726.321  109.656 118.671 9.2824 118.517 9.4525 0.1534042      13.24807  
1 1 1 8   -1  22 o 111.577 2.1585 615.991  23.771  572.268  29.208  701.776  40.912  107.457 2.7538 118.845 3.4876 -11.38884      4.443758  
1 1 1 8   -1  23 o 91.170  1.6485 410.896  14.834  406.625  21.898  414.517  20.166  90.604  2.4487 91.507  2.2327 -0.9032898     3.313772  
1 1 1 8   0   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   0   1  o 159.505 7.5266 1259.82  118.496 1246.72  205.240 1266.37  145.128 157.566 13.322 159.517 9.2572 -1.951019      16.22220  
1 1 1 8   0   2  o 117.348 6.1762 682.998  71.285  704.615  100.863 661.426  100.761 118.916 8.6526 115.156 8.9348 3.759407       12.43781  
1 1 1 8   0   3  o 140.379 6.3460 974.835  87.930  975.694  124.366 973.976  124.338 139.983 9.0495 139.858 9.0557 0.1245422      12.80228  
1 1 1 8   0   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   0   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   0   6  o 298.064 8.2469 4402.76  242.623 4426.10  343.135 4379.42  343.107 298.237 11.657 296.647 11.718 1.589905       16.52842  
1 1 1 8   0   7  o 194.762 2.9858 1873.10  57.398  1935.94  74.198  1779.46  90.575  197.967 3.7972 189.744 4.8362 8.223419       6.148836  
1 1 1 8   0   8  o 191.247 2.6103 1805.90  49.274  1860.20  69.642  1751.47  69.726  194.060 3.6358 188.297 3.7516 5.762634       5.224328  
1 1 1 8   0   9  o 411.318 4.9788 8364.89  202.132 8327.18  297.622 8397.18  275.386 409.942 7.3554 411.787 6.7754 -1.844757      10.00044  
1 1 1 8   0   10 o 199.636 8.0757 1978.17  159.130 2079.09  275.743 1927.78  194.850 203.101 13.837 196.514 10.080 6.587372       17.11930  
1 1 1 8   0   11 o 51.751  1.1601 132.192  5.9257  144.943  7.9827  116.542  8.8435  54.187  1.4925 48.586  1.8441 5.601151       2.372407  
1 1 1 8   0   12 o 103.345 1.6701 527.273  17.036  548.139  23.339  503.476  24.924  105.354 2.2444 100.963 2.5011 4.391388       3.360442  
1 1 1 8   0   13 o 43.207  1.0798 92.147   4.6049  87.875   7.3988  94.849   5.8832  42.187  1.7769 43.833  1.3598 -1.646378      2.237474  
1 1 1 8   0   14 o 178.038 2.4125 1565.88  42.395  1532.40  56.630  1608.56  63.943  176.053 3.2589 180.339 3.5923 -4.286911      4.850270  
1 1 1 8   0   15 o 305.267 4.0869 4612.84  123.144 4632.73  174.207 4592.97  174.095 305.466 5.7779 304.146 5.7993 1.320374       8.186296  
1 1 1 8   0   16 o 134.662 1.8410 895.520  24.471  890.150  34.580  900.907  34.633  134.214 2.6103 135.024 2.5987 -0.8092957     3.683316  
1 1 1 8   0   17 o 100.304 1.5707 496.774  15.551  501.512  22.231  492.235  21.761  100.756 2.2354 99.821  2.2086 0.9350967      3.142399  
1 1 1 8   0   18 o 134.679 1.8915 895.868  25.144  960.146  36.264  836.361  34.893  139.375 2.6361 130.074 2.7177 9.300491       3.786179  
1 1 1 8   0   19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   0   20 o 45.028  6.7533 103.656  29.089  108.986  41.415  98.467   40.866  45.542  9.5197 43.194  9.8090 2.348404       13.66899  
1 1 1 8   0   21 o 91.002  2.8396 410.064  25.506  420.493  81.479  408.931  26.856  90.291  9.2744 90.859  2.9945 -0.5684128     9.745831  
1 1 1 8   0   22 o 149.462 2.1617 1105.15  31.890  1088.07  43.873  1124.29  46.434  148.135 3.0006 150.550 3.1248 -2.415375      4.332186  
1 1 1 8   0   23 f 24.862  2.9709 31.092   7.1461  28.946   10.472  32.963   9.7762  23.672  4.6478 25.420  4.0308 -1.748648      6.152148  
1 1 1 8   0   24 f 65.249  1.9217 210.633  12.376  209.260  22.578  211.223  14.797  64.748  3.5463 65.305  2.2956 -0.5570984     4.224491  
1 1 1 8   1   0  o 148.359 1.7846 1086.45  26.133  1100.88  35.280  1068.92  38.900  149.329 2.3936 147.138 2.6785 2.190491       3.592166  
1 1 1 8   1   1  o 188.919 3.0803 1762.37  57.438  1673.44  89.478  1824.69  74.908  184.011 4.9265 192.196 3.9487 -8.184921      6.313676  
1 1 1 8   1   2  o 230.018 7.3108 2619.21  165.982 2580.74  234.715 2657.70  234.752 227.957 10.432 231.352 10.280 -3.394882      14.64591  
1 1 1 8   1   3  o 349.477 9.0001 6055.78  310.455 6304.03  439.076 5807.60  439.023 355.799 12.503 341.370 13.030 14.42819       18.05782  
1 1 1 8   1   4  o 180.619 6.7159 1614.23  119.729 1606.46  169.333 1622.00  169.313 179.690 9.5819 180.567 9.5337 -0.8769531     13.51683  
1 1 1 8   1   5  o 302.237 8.2770 4526.22  246.919 4384.23  349.176 4668.24  349.216 296.825 11.918 306.365 11.548 -9.540192      16.59546  
1 1 1 8   1   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   1   7  o 51.019  5.9548 130.481  29.423  113.041  41.571  147.988  41.649  46.922  9.3046 54.068  8.0498 -7.146400      12.30344  
1 1 1 8   1   8  o 389.947 4.9117 7516.73  189.046 7503.46  267.277 7530.03  267.426 389.281 6.9561 389.971 6.9476 -0.6902161     9.831421  
1 1 1 8   1   9  o 31.118  1.7617 47.951   5.3888  52.683   7.6779  43.358   7.5652  32.577  2.4048 29.517  2.6241 3.060371       3.559315  
1 1 1 8   1   10 o 166.049 2.1897 1361.26  35.889  1383.95  53.085  1342.15  48.707  167.391 3.2130 164.853 2.9934 2.538437       4.391299  
1 1 1 8   1   11 o 185.473 3.5658 1699.78  65.278  1699.78  65.278  0.0000   0.0000  185.473 3.5658 ?       ?      0.000000       3.565767  
1 1 1 8   1   12 o 186.904 2.4817 1725.25  45.783  1794.32  62.210  1643.63  67.623  190.556 3.3075 182.345 3.7572 8.210876       5.005633  
1 1 1 8   1   13 o 50.402  1.2824 125.400  6.3795  122.570  8.9212  128.362  9.1264  49.824  1.8140 50.988  1.8134 -1.163803      2.565005  
1 1 1 8   1   14 o 81.968  1.3012 331.671  10.528  325.097  14.554  338.886  15.246  81.141  1.8172 82.843  1.8646 -1.701820      2.603649  
1 1 1 8   1   15 o 66.689  1.3024 219.552  8.5732  200.950  11.352  244.245  13.079  63.792  1.8029 70.327  1.8842 -6.535297      2.607787  
1 1 1 8   1   16 o 208.204 2.6113 2142.07  53.663  2137.34  75.814  2146.83  75.969  207.842 3.6956 208.303 3.6949 -0.4609985     5.225878  
1 1 1 8   1   17 o 97.027  1.5947 464.846  15.272  462.194  21.631  467.481  21.566  96.726  2.2657 97.278  2.2460 -0.5524750     3.190311  
1 1 1 8   1   18 o 237.343 3.0655 2785.59  71.814  2787.12  105.965 2784.28  97.663  237.132 4.5273 237.088 4.1734 0.4399109E-01  6.157399  
1 1 1 8   1   19 o 43.586  6.5404 96.736   27.269  105.269  38.577  88.214   38.551  44.993  9.0009 41.027  9.6768 3.966209       13.21580  
1 1 1 8   1   20 o 62.018  6.3455 193.921  38.296  205.506  54.454  182.584  53.868  63.224  8.9782 59.382  9.5117 3.842976       13.07976  
1 1 1 8   1   21 o 124.818 6.5058 782.845  79.874  770.542  113.023 795.119  112.895 122.650 9.4078 124.680 9.2394 -2.030190      13.18611  
1 1 1 8   1   22 o 81.608  1.6172 329.090  13.027  301.266  18.239  358.064  18.612  78.026  2.3683 85.078  2.2164 -7.051987      3.243616  
1 1 1 8   1   23 o 92.833  1.7934 426.092  16.432  455.077  23.857  399.927  22.667  95.853  2.5216 89.853  2.5558 6.000092       3.590315  
1 1 1 8   1   24 o 56.374  1.7613 157.148  9.8006  127.969  14.406  182.286  13.372  50.707  2.8904 60.680  2.2326 -9.972683      3.652245  
1 1 1 8   2   0  o 72.997  1.4604 263.010  10.522  264.372  10.698  222.600  58.267  73.186  1.4810 66.380  9.1352 6.806290       9.254457  
1 1 1 8   2   1  o 103.263 1.5820 526.330  16.125  516.586  21.459  538.967  24.438  102.297 2.1252 104.486 2.3696 -2.189117      3.183043  
1 1 1 8   2   2  o 64.807  1.0709 207.286  6.8501  195.199  9.3406  221.352  10.076  62.887  1.5048 66.967  1.5244 -4.080341      2.142040  
1 1 1 8   2   3  o 260.958 4.0016 3363.90  103.071 3260.56  166.638 3427.94  131.175 256.717 6.5763 263.358 5.0463 -6.641113      8.289339  
1 1 1 8   2   4  o 101.767 6.0662 514.008  60.657  508.680  85.781  519.335  85.783  100.936 8.6951 102.007 8.6002 -1.071342      12.22977  
1 1 1 8   2   5  o 127.313 6.2067 801.709  77.996  830.430  110.307 772.992  110.298 129.146 8.7042 124.534 9.0346 4.611244       12.54542  
1 1 1 8   2   6  o 158.254 6.4910 1239.04  101.391 1302.55  143.433 1175.61  143.344 161.826 9.0157 153.645 9.4987 8.181183       13.09610  
1 1 1 8   2   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   2   8  o 84.696  1.3680 354.065  11.436  344.418  15.834  364.584  16.534  83.530  1.9205 85.940  1.9492 -2.410248      2.736378  
1 1 1 8   2   9  o 35.405  1.4663 61.872   5.1242  64.629   6.8061  58.264   7.7857  36.133  1.9152 34.275  2.3149 1.857475       3.004481  
1 1 1 8   2   10 o 284.450 3.7109 3997.19  104.188 4042.35  147.312 3951.98  147.377 285.911 5.2201 282.690 5.2818 3.220551       7.426086  
1 1 1 8   2   11 o 349.900 4.6617 6053.55  161.000 6022.50  203.965 6104.88  262.240 348.800 5.9244 350.840 7.5728 -2.039825      9.614884  
1 1 1 8   2   12 o 76.637  1.5006 289.926  11.351  270.504  13.746  331.554  20.125  74.021  1.8815 81.938  2.4884 -7.916679      3.119644  
1 1 1 8   2   13 o 107.469 1.5943 570.186  16.912  582.130  25.060  560.197  22.918  108.569 2.3385 106.509 2.1800 2.059952       3.197036  
1 1 1 8   2   14 o 29.263  1.8724 42.457   5.3798  42.785   7.4865  42.108   7.7361  29.312  2.6151 29.066  2.7285 0.2465305      3.779307  
1 1 1 8   2   15 o 218.140 2.8362 2351.67  61.068  2312.53  82.922  2398.06  90.271  216.186 3.8861 220.107 4.1551 -3.920898      5.689151  
1 1 1 8   2   16 o 131.733 1.9730 857.042  25.655  827.852  37.920  881.680  34.838  129.412 2.9686 133.575 2.6424 -4.163391      3.974293  
1 1 1 8   2   17 o 240.192 2.9513 2852.02  69.969  2870.92  99.147  2833.26  98.756  240.785 4.1718 239.198 4.1829 1.586670       5.907618  
1 1 1 8   2   18 o 169.748 2.6069 1424.02  43.678  1461.78  52.096  1334.67  80.138  171.937 3.0698 164.038 4.9495 7.898819       5.824172  
1 1 1 8   2   19 o 114.657 6.4394 656.880  72.580  676.919  102.698 636.884  102.589 115.711 9.0644 112.129 9.3547 3.581474       13.02591  
1 1 1 8   2   20 o 23.075  5.9464 27.517   13.628  0.0000   0.0000  27.517   13.628  ?       ?      23.075  5.9464 0.000000       5.946444  
1 1 1 8   2   21 o 135.054 1.9243 901.262  25.652  840.304  36.188  962.824  36.367  130.316 2.8134 139.515 2.6409 -9.198853      3.858732  
1 1 1 8   2   22 o 64.414  2.3093 205.241  14.682  201.736  15.206  253.492  56.419  63.855  2.4126 70.188  8.3049 -6.332687      8.648203  
1 1 1 8   2   23 o 58.726  1.4991 170.410  8.6898  179.136  14.617  165.640  10.807  60.149  2.4621 57.877  1.8917 2.271160       3.104895  
1 1 1 8   2   24 o 39.626  2.1290 77.928   8.2966  76.386   12.870  79.025   10.853  39.065  3.3707 39.827  2.7782 -0.7616081     4.368026  
1 1 1 8   2   25 o 13.760  4.5452 9.0529   7.1742  8.9931   11.102  9.0958   9.4007  15.085  5.5989 14.512  5.1868 0.5730801      7.632183  
1 1 1 8   3   0  o 106.394 1.4967 558.724  15.717  575.126  22.404  542.828  22.056  107.937 2.1029 104.862 2.1309 3.074966       2.993828  
1 1 1 8   3   1  f 213.422 3.1956 2249.28  67.316  2294.68  71.613  1904.67  197.308 215.558 3.3658 195.579 10.257 19.97906       10.79483  
1 1 1 8   3   2  o 353.006 4.0273 6155.68  140.323 6043.94  198.392 6267.54  198.502 349.616 5.7491 356.036 5.6486 -6.420013      8.059671  
1 1 1 8   3   3  o 495.017 6.5438 12123.13 319.729 11975.32 452.146 12270.97 452.184 491.368 9.3226 497.426 9.2099 -6.058350      13.10469  
1 1 1 8   3   4  o 227.706 5.4415 2563.26  122.299 2527.10  172.958 2599.42  172.956 225.896 7.7571 229.116 7.6480 -3.220367      10.89333  
1 1 1 8   3   5  o 185.835 7.8322 1710.41  143.663 1701.16  248.865 1715.03  175.940 184.149 13.792 185.672 9.6334 -1.522324      16.82323  
1 1 1 8   3   6  o 161.420 6.5085 1289.12  103.697 1277.93  146.650 1300.31  146.651 160.243 9.3120 161.657 9.2291 -1.413940      13.11073  
1 1 1 8   3   7  f 345.679 8.9664 5925.62  305.933 6013.04  432.680 5838.22  432.629 347.404 12.618 342.269 12.806 5.135712       17.97817  
1 1 1 8   3   8  o 471.990 6.2563 11021.07 291.463 10889.85 412.168 11152.32 412.213 468.587 8.9115 474.228 8.8065 -5.640747      12.52871  
1 1 1 8   3   9  o 355.017 4.5311 6228.93  158.776 6240.43  224.610 6217.44  224.477 355.095 6.4084 354.440 6.4165 0.6557312      9.068554  
1 1 1 8   3   10 o 199.056 2.7650 1956.54  54.326  1963.38  76.776  1949.67  76.882  199.350 3.9019 198.652 3.9210 0.6981659      5.531641  
1 1 1 8   3   11 o 153.021 2.3150 1156.09  34.965  1159.41  58.492  1154.25  43.615  153.180 3.8687 152.880 2.8904 0.3003387      4.829174  
1 1 1 8   3   12 o 250.101 3.4411 3090.60  84.947  3093.31  140.303 3089.03  106.733 249.956 5.6868 249.952 4.3262 0.4272461E-02  7.145336  
1 1 1 8   3   13 f 151.443 2.1089 1132.50  31.523  1085.53  46.373  1172.85  42.981  148.219 3.1697 154.085 2.8261 -5.865417      4.246646  
1 1 1 8   3   14 o 104.243 1.6346 536.492  16.819  551.690  23.926  521.646  23.648  105.689 2.2936 102.770 2.3312 2.919327       3.270354  
1 1 1 8   3   15 o 159.308 2.1473 1253.47  33.764  1251.77  47.771  1255.16  47.729  159.139 3.0413 159.354 3.0345 -0.2153473     4.296228  
1 1 1 8   3   16 o 65.774  1.3813 213.582  8.9673  202.813  13.305  222.547  12.139  64.080  2.1035 67.132  1.8320 -3.051682      2.789435  
1 1 1 8   3   17 o 145.832 2.1155 1050.47  30.451  1104.17  44.747  1004.14  41.559  149.446 3.0335 142.522 2.9543 6.923721       4.234397  
1 1 1 8   3   18 o 165.482 7.7470 1367.92  126.536 1341.30  219.159 1381.24  154.978 161.196 13.911 165.518 9.5264 -4.322235      16.85992  
1 1 1 8   3   19 o 152.250 7.5964 1158.51  114.157 1172.48  197.884 1151.54  139.757 150.638 13.450 151.007 9.4236 -0.3691559     16.42305  
1 1 1 8   3   20 f 79.335  1.5836 310.817  12.400  294.631  17.852  325.905  17.237  77.213  2.3425 81.217  2.1502 -4.003387      3.179715  
1 1 1 8   3   21 o 67.769  1.6430 226.844  10.990  227.185  15.879  226.530  15.227  67.790  2.3731 67.697  2.2789 0.9333801E-01  3.290108  
1 1 1 8   3   22 o 114.387 1.8185 646.585  20.531  649.923  29.265  643.350  28.811  114.606 2.5871 114.028 2.5599 0.5778275      3.639480  
1 1 1 8   3   23 o 60.227  1.6510 179.264  9.8144  186.492  15.150  174.038  12.883  61.374  2.5009 59.311  2.2007 2.063339       3.331313  
1 1 1 8   3   24 o 30.890  2.6839 47.646   8.1018  41.782   12.592  51.789   10.584  28.564  4.6241 32.109  3.3908 -3.544275      5.734071  
1 1 1 8   3   25 f 71.222  1.7660 250.862  12.415  246.311  18.548  254.555  16.710  70.479  2.6663 71.685  2.3617 -1.206444      3.561836  
1 1 1 8   4   0  o 299.885 3.8591 4442.83  114.227 4532.83  161.618 4353.00  161.464 302.757 5.4083 296.679 5.5139 6.078339       7.723522  
1 1 1 8   4   1  o 272.971 4.6998 3682.33  126.628 3828.67  304.771 3651.79  139.213 277.483 11.128 271.797 5.1892 5.686462       12.27814  
1 1 1 8   4   2  f 292.802 3.5026 4234.15  101.228 4313.79  154.257 4173.91  134.155 295.405 5.2905 290.629 4.6767 4.776154       7.061167  
1 1 1 8   4   3  o 87.982  1.2913 382.063  11.214  393.446  15.798  370.502  15.921  89.279  1.7927 86.636  1.8618 2.642906       2.584579  
1 1 1 8   4   4  o 332.569 4.9258 5466.13  161.693 5487.06  228.766 5445.23  228.571 332.971 6.9607 331.697 6.9815 1.274231       9.858591  
1 1 1 8   4   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   4   6  o 174.788 7.6609 1512.97  132.168 1506.58  228.921 1516.16  161.872 173.284 13.491 174.567 9.4296 -1.282578      16.45935  
1 1 1 8   4   7  o 128.381 6.1941 815.283  78.490  782.162  110.985 848.423  111.018 125.263 9.0372 130.537 8.6656 -5.274040      12.52058  
1 1 1 8   4   8  o 107.746 1.6262 573.029  17.294  591.942  25.693  557.362  23.385  109.499 2.3772 106.255 2.2297 3.244263       3.259245  
1 1 1 8   4   9  o 143.463 2.1761 1016.06  30.814  1023.94  43.533  1008.15  43.623  143.995 3.0629 142.880 3.0932 1.115326       4.353131  
1 1 1 8   4   10 o 327.531 3.9449 5300.04  127.533 5372.15  180.391 5227.99  180.326 329.577 5.5453 325.116 5.6194 4.461304       7.894767  
1 1 1 8   4   11 o 69.647  1.3536 239.423  9.3048  243.271  13.144  235.557  13.174  70.199  1.8970 69.077  1.9322 1.122307       2.707756  
1 1 1 8   4   12 o 243.321 3.1050 2924.55  74.573  2965.69  101.331 2875.95  110.142 244.935 4.1914 241.157 4.6272 3.778015       6.243325  
1 1 1 8   4   13 o 270.035 5.6355 3611.85  150.205 0.0000   0.0000  3611.85  150.205 ?       ?      270.035 5.6355 0.000000       5.635487  
1 1 1 8   4   14 o 64.009  1.3355 202.252  8.4375  204.723  11.768  199.638  12.104  64.391  1.8516 63.585  1.9286 0.8060341      2.673539  
1 1 1 8   4   15 o 136.551 2.2691 920.992  30.583  931.757  49.669  914.419  38.813  137.254 3.6663 136.027 2.8908 1.226685       4.668903  
1 1 1 8   4   16 o 116.937 1.8457 675.264  21.303  644.802  29.135  710.260  31.228  114.235 2.5839 119.890 2.6389 -5.655098      3.693300  
1 1 1 8   4   17 o 49.848  1.6659 122.698  8.1966  95.246   12.146  145.657  11.107  43.807  2.8240 54.305  2.0723 -10.49759      3.502729  
1 1 1 8   4   18 o 161.420 6.6536 1297.45  106.009 1316.17  149.969 1278.76  149.871 161.593 9.4436 159.224 9.5808 2.369247       13.45267  
1 1 1 8   4   19 o 109.770 6.2833 601.662  67.795  605.190  95.855  598.130  95.898  109.444 8.9518 108.781 9.0127 0.6621399      12.70285  
1 1 1 8   4   20 o 100.843 1.7231 502.236  17.151  532.177  24.655  474.162  23.874  103.770 2.4071 97.947  2.4694 5.822990       3.448533  
1 1 1 8   4   21 o 106.317 2.1323 558.564  22.376  546.741  27.355  582.467  38.898  105.150 2.6357 108.434 3.6343 -3.284378      4.489475  
1 1 1 8   4   22 o 97.899  1.7444 473.525  16.856  496.759  24.599  452.957  23.145  100.215 2.4869 95.698  2.4503 4.517044       3.491201  
1 1 1 8   4   23 o 70.844  2.2327 248.278  15.612  282.968  63.927  246.078  16.099  73.842  8.9541 70.523  2.3128 3.318886       9.247945  
1 1 1 8   4   24 o 37.030  2.3759 68.175   8.6383  57.881   12.814  76.752   11.695  33.877  3.9035 39.213  3.0456 -5.335941      4.951118  
1 1 1 8   4   25 f 58.272  1.8295 167.948  10.523  172.791  15.897  164.171  14.038  59.028  2.7285 57.562  2.4708 1.466125       3.681023  
1 1 1 8   5   0  o 89.919  1.3673 399.080  12.135  394.742  17.174  403.406  17.150  89.423  1.9457 90.399  1.9220 -0.9762726     2.734944  
1 1 1 8   5   1  o 284.547 3.6333 3999.48  102.045 3962.56  150.750 4030.70  138.636 283.077 5.3954 285.548 4.9188 -2.471527      7.301015  
1 1 1 8   5   2  o 102.041 2.0810 514.005  20.959  600.718  90.365  509.075  21.547  109.772 8.4040 101.549 2.1497 8.222580       8.674556  
1 1 1 8   5   3  o 154.834 2.3007 1183.51  35.161  1144.71  49.543  1222.89  49.909  152.249 3.2968 157.365 3.2132 -5.115677      4.603676  
1 1 1 8   5   4  o 199.033 2.7809 1955.94  54.631  1987.85  73.548  1916.66  81.599  200.614 3.7143 196.967 4.1972 3.647369       5.604659  
1 1 1 8   5   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   5   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   5   7  o 85.207  5.9312 360.811  49.572  375.332  70.098  346.284  70.114  86.633  8.2991 83.129  8.6728 3.504211       12.00386  
1 1 1 8   5   8  o 236.960 2.9247 2772.60  68.406  2820.17  96.817  2725.18  96.664  238.921 4.1055 234.859 4.1699 4.062469       5.851765  
1 1 1 8   5   9  o 374.883 4.9643 6947.35  183.692 6961.67  259.801 6933.04  259.759 374.957 7.0198 374.183 7.0332 0.7742615      9.936983  
1 1 1 8   5   10 o 226.904 3.4224 2542.99  76.649  2606.81  108.398 2479.17  108.398 229.644 4.7823 223.942 4.9040 5.701874       6.849771  
1 1 1 8   5   11 o 351.164 4.3675 6094.95  151.382 6021.15  223.031 6157.99  206.138 348.720 6.4797 352.756 5.9204 -4.035492      8.777094  
1 1 1 8   5   12 o 92.725  1.4182 424.403  12.980  443.971  18.459  405.263  18.256  94.830  1.9721 90.601  2.0415 4.229378       2.838439  
1 1 1 8   5   13 o 89.034  1.4978 391.311  13.162  376.144  18.286  407.618  18.961  87.280  2.1227 90.859  2.1143 -3.578438      2.995968  
1 1 1 8   5   14 f 69.868  6.0229 243.872  41.129  236.587  58.034  251.223  58.299  68.331  8.8097 70.496  8.5535 -2.164742      12.27902  
1 1 1 8   5   15 o 140.899 2.0737 980.429  28.839  953.509  44.711  999.609  37.739  138.880 3.2616 142.237 2.6881 -3.356567      4.226588  
1 1 1 8   5   16 o 204.320 2.5998 2062.79  52.431  2095.46  74.355  2030.49  73.945  205.808 3.6603 202.587 3.6980 3.221085       5.203146  
1 1 1 8   5   17 o 294.597 8.3192 4340.35  241.904 4349.43  342.112 4331.27  342.097 292.935 11.832 292.307 11.857 0.6282043      16.75080  
1 1 1 8   5   18 o 71.070  6.1251 252.997  42.547  245.681  60.088  260.353  60.252  69.439  8.9772 71.578  8.7077 -2.138283      12.50656  
1 1 1 8   5   19 o 79.478  1.5739 311.910  12.347  319.627  17.734  304.652  17.199  80.433  2.2338 78.527  2.2190 1.906181       3.148623  
1 1 1 8   5   20 o 113.497 1.8307 636.238  20.508  600.917  29.071  671.231  28.936  110.252 2.6714 116.535 2.5156 -6.283119      3.669437  
1 1 1 8   5   21 o 187.372 2.4700 1735.57  45.681  1703.52  64.852  1767.13  64.357  185.470 3.5426 188.917 3.4513 -3.447525      4.945857  
1 1 1 8   5   22 o 53.899  1.5472 143.488  8.2311  148.694  15.079  141.279  9.8236  54.745  2.8000 53.472  1.8613 1.272903       3.362204  
1 1 1 8   5   23 o 66.691  1.6955 219.783  11.161  238.590  17.173  206.028  14.686  69.433  2.5058 64.535  2.3055 4.897766       3.405042  
1 1 1 8   5   24 o 107.884 6.5570 590.560  69.492  622.390  98.498  559.015  98.055  109.338 9.2127 103.277 9.7340 6.061745       13.40242  
1 1 1 8   5   25 o 91.169  1.8441 411.108  16.594  415.507  24.599  407.434  22.480  91.537  2.7226 90.676  2.5117 0.8613052      3.704233  
1 1 1 8   5   26 o 22.123  7.6457 23.257   20.306  22.197   35.423  23.776   24.782  25.009  9.8205 23.129  8.4012 1.879250       12.92374  
1 1 1 8   6   0  o 100.581 1.4094 499.348  13.992  487.598  19.826  511.008  19.750  99.383  2.0211 101.742 1.9667 -2.358643      2.820056  
1 1 1 8   6   1  o 139.101 1.8851 955.146  25.883  929.482  38.449  976.413  35.000  137.199 2.8392 140.628 2.5216 -3.429108      3.797313  
1 1 1 8   6   2  o 185.202 2.4049 1693.43  43.963  1683.05  65.224  1702.07  59.513  184.589 3.5799 185.643 3.2479 -1.054321      4.833657  
1 1 1 8   6   3  o 146.889 3.9875 1065.90  57.813  0.0000   0.0000  1065.90  57.813  ?       ?      146.889 3.9875 0.000000       3.987542  
1 1 1 8   6   4  o 196.311 2.7383 1902.80  53.058  1894.32  79.382  1909.64  71.333  195.816 4.1071 196.627 3.6755 -0.8106689     5.511622  
1 1 1 8   6   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   6   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   6   7  o 256.735 7.5848 3264.73  192.204 3251.10  271.809 3278.35  271.827 255.729 10.768 256.807 10.724 -1.077499      15.19736  
1 1 1 8   6   8  o 367.700 4.8737 6682.83  176.882 6730.28  239.267 6625.64  262.665 368.770 6.5735 365.777 7.2753 2.993073       9.805124  
1 1 1 8   6   9  o 118.667 1.7659 695.118  20.683  693.485  28.179  697.025  30.455  118.517 2.4088 118.815 2.5969 -0.2982712     3.542072  
1 1 1 8   6   10 o 263.977 3.5104 3442.07  91.464  3504.19  129.425 3380.10  129.275 266.235 4.9251 261.471 5.0091 4.764191       7.024817  
1 1 1 8   6   11 o 284.564 3.4540 4000.13  97.015  4019.24  137.231 3981.05  137.169 285.108 4.8765 283.748 4.8977 1.360016       6.911409  
1 1 1 8   6   12 o 346.020 4.0955 5918.09  139.874 5998.30  197.878 5837.99  197.747 348.092 5.7593 343.395 5.8342 4.696899       8.198021  
1 1 1 8   6   13 o 227.711 2.9291 2561.48  65.835  2451.76  99.635  2646.50  87.710  222.632 4.5341 231.379 3.8405 -8.747787      5.942051  
1 1 1 8   6   14 o 150.003 2.1162 1111.13  31.333  1095.40  44.545  1126.53  44.080  148.889 3.0311 150.995 2.9577 -2.105820      4.235037  
1 1 1 8   6   15 o 232.387 3.8832 2671.60  89.070  2636.55  95.728  2897.59  243.072 230.810 4.2020 240.300 10.248 -9.489792      11.07622  
1 1 1 8   6   16 o 94.157  1.5707 437.729  14.597  432.793  21.090  442.268  20.224  93.602  2.2827 94.625  2.1654 -1.023560      3.146401  
1 1 1 8   6   17 o 65.717  6.0931 216.477  39.073  201.241  55.164  231.817  55.352  62.713  9.1839 67.555  8.4886 -4.841766      12.50605  
1 1 1 8   6   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   6   19 o 152.469 2.1220 1148.40  31.934  1122.46  45.223  1174.19  45.101  150.659 3.0411 154.099 2.9652 -3.440094      4.247429  
1 1 1 8   6   20 o 190.631 2.5441 1796.22  47.871  1775.29  67.884  1816.93  67.516  189.366 3.6319 191.584 3.5704 -2.218246      5.092952  
1 1 1 8   6   21 f 144.431 2.0842 1030.70  29.713  1018.98  42.520  1041.89  41.537  143.517 3.0016 145.133 2.8996 -1.615479      4.173411  
1 1 1 8   6   22 o 80.782  1.6745 322.353  13.352  330.643  20.630  316.378  17.514  81.764  2.5562 80.002  2.2180 1.761932       3.384354  
1 1 1 8   6   23 o 126.328 1.9433 788.875  24.232  791.770  34.926  786.189  33.647  126.450 2.7983 126.018 2.7051 0.4326019      3.892079  
1 1 1 8   6   24 o 105.818 1.8092 553.623  18.896  545.796  27.168  560.957  26.299  104.962 2.6224 106.428 2.5035 -1.465828      3.625518  
1 1 1 8   6   25 o 80.424  2.0057 320.045  15.922  340.993  20.532  288.445  25.217  82.953  2.5076 76.171  3.3541 6.781845       4.187860  
1 1 1 8   6   26 o 26.675  7.2910 37.669   19.745  38.932   28.429  36.492   27.444  27.599  9.0446 26.854  8.8908 0.7449589      12.68270  
1 1 1 8   7   0  o 96.204  1.3451 456.832  12.772  455.342  18.085  458.316  18.041  96.039  1.9078 96.353  1.8970 -0.3133240     2.690381  
1 1 1 8   7   1  o 145.765 1.9604 1048.91  28.205  1040.19  37.943  1059.67  42.168  145.141 2.6485 146.485 2.9164 -1.344208      3.939587  
1 1 1 8   7   2  o 141.147 1.7789 983.428  24.783  962.036  34.933  1005.10  35.165  139.587 2.5355 142.679 2.4970 -3.091309      3.558573  
1 1 1 8   7   3  o 85.762  1.1855 363.026  10.035  361.597  14.484  364.344  13.917  85.589  1.7145 85.914  1.6411 -0.3251877     2.373355  
1 1 1 8   7   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   7   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   7   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   7   7  o 331.352 5.8867 5430.95  192.527 5386.37  272.269 5475.54  272.280 329.604 8.3690 332.334 8.3006 -2.729797      11.78722  
1 1 1 8   7   8  o 271.599 3.2359 3643.08  86.747  3559.40  122.654 3726.84  122.705 268.362 4.6305 274.611 4.5270 -6.248535      6.475738  
1 1 1 8   7   9  o 36.544  1.1449 65.912   4.1298  54.904   5.7708  77.468   5.9125  33.304  1.7618 39.616  1.5120 -6.312275      2.321668  
1 1 1 8   7   10 o 144.750 1.9758 1034.34  28.229  1058.54  39.549  1009.22  40.307  146.413 2.7366 142.958 2.8565 3.455185       3.955876  
1 1 1 8   7   11 o 214.141 2.7796 2264.54  58.751  2221.65  83.039  2307.53  83.134  212.033 3.9677 216.097 3.8976 -4.064178      5.561871  
1 1 1 8   7   12 o 355.837 4.4983 6261.10  157.992 6297.41  223.540 6224.87  223.328 356.522 6.3524 354.456 6.3833 2.065948       9.005519  
1 1 1 8   7   13 o 353.063 4.8974 6168.85  170.668 5930.04  265.373 6337.30  222.874 345.438 7.7831 357.525 6.3157 -12.08755      10.02321  
1 1 1 8   7   14 o 30.296  2.7010 45.703   7.9923  51.539   11.649  40.511   10.986  32.068  3.7512 28.335  4.0426 3.732220       5.514925  
1 1 1 8   7   15 o 111.433 1.8270 613.146  20.095  620.536  28.531  605.873  28.307  112.072 2.5792 110.740 2.5897 1.332497       3.654974  
1 1 1 8   7   16 o 110.113 6.2071 604.504  67.188  595.467  94.983  613.555  95.053  108.699 8.9319 110.381 8.7975 -1.682404      12.53693  
1 1 1 8   7   17 o 126.354 6.2937 794.140  78.492  810.806  110.983 777.460  111.026 126.876 8.9189 124.169 9.1229 2.707283       12.75828  
1 1 1 8   7   18 o 211.808 2.9249 2218.05  61.148  2195.26  82.928  2245.20  90.523  210.555 3.9903 212.877 4.3082 -2.322540      5.872220  
1 1 1 8   7   19 o 120.746 1.8992 720.106  22.635  710.813  33.076  728.292  31.042  119.908 2.7947 121.388 2.5909 -1.480125      3.810872  
1 1 1 8   7   20 o 58.138  1.7811 166.937  10.221  174.818  15.480  160.846  13.609  59.467  2.6373 57.049  2.4168 2.418327       3.577193  
1 1 1 8   7   21 o 12.524  1.4226 7.8449   1.7273  3.5506   10.160  7.9727   1.7529  12.851  5.1879 12.626  1.4319 0.2256575      5.381911  
1 1 1 8   7   22 o 11.061  4.7118 -0.0833  9.0382  -7.1634  14.013  4.9602   11.827  12.214  5.5049 14.100  5.6306 -1.886171      7.874519  
1 1 1 8   7   23 o 94.264  1.7521 439.084  16.302  428.459  23.353  449.182  22.766  93.051  2.5427 95.286  2.4206 -2.235657      3.510646  
1 1 1 8   7   24 o 60.803  1.8135 182.777  10.884  201.346  16.565  168.673  14.437  63.753  2.6325 58.362  2.5062 5.391430       3.634727  
1 1 1 8   7   25 o 64.457  6.4318 212.527  40.374  216.542  57.146  208.527  57.048  63.878  9.3395 62.572  9.5386 1.305931       13.34959  
1 1 1 8   7   26 o 66.208  1.8381 216.865  12.012  220.407  13.594  204.250  25.655  66.725  2.0640 63.817  4.0945 2.908035       4.585284  
1 1 1 8   8   0  o 50.741  1.0572 127.077  5.2948  114.220  7.3750  140.753  7.6063  48.102  1.5533 53.399  1.4431 -5.296253      2.120247  
1 1 1 8   8   1  o 190.635 2.3306 1794.40  43.853  1826.90  62.045  1761.96  61.991  192.308 3.2687 188.856 3.3256 3.451965       4.663021  
1 1 1 8   8   2  o 145.154 1.8528 1040.11  26.546  1079.48  37.630  1001.11  37.454  147.857 2.5785 142.386 2.6650 5.471100       3.708209  
1 1 1 8   8   3  f 134.547 1.9121 893.648  25.394  891.407  34.601  896.264  37.384  134.362 2.6091 134.722 2.8113 -0.3601685     3.835445  
1 1 1 8   8   4  o 56.062  1.5612 155.139  8.6388  166.302  12.901  146.065  11.631  58.039  2.2521 54.394  2.1665 3.644989       3.124945  
1 1 1 8   8   5  o 173.474 9.4762 1498.77  161.643 1474.09  228.604 1523.45  228.591 171.204 13.641 174.119 13.404 -2.915405      19.12456  
1 1 1 8   8   6  o 280.089 9.2313 3894.52  255.206 3802.71  442.023 3940.43  312.564 274.577 16.384 281.332 11.256 -6.755188      19.87832  
1 1 1 8   8   7  o 140.295 2.1054 971.672  29.155  986.467  41.435  957.165  41.030  141.337 2.9702 139.222 2.9858 2.115463       4.211529  
1 1 1 8   8   8  o 265.927 3.1247 3492.47  82.016  3494.60  116.026 3490.34  115.950 265.916 4.4206 265.754 4.4204 0.1620789      6.251498  
1 1 1 8   8   9  o 176.473 2.7638 1537.82  48.141  1594.25  68.083  1481.40  68.081  179.633 3.8399 173.152 3.9835 6.481766       5.532897  
1 1 1 8   8   10 o 213.051 2.7589 2241.47  58.017  2180.98  82.076  2301.87  82.021  210.089 3.9580 215.840 3.8500 -5.751099      5.521642  
1 1 1 8   8   11 o 340.189 4.0587 5719.73  136.281 5588.75  192.714 5850.77  192.747 336.014 5.8106 343.823 5.6796 -7.809296      8.125349  
1 1 1 8   8   12 o 324.926 4.2730 5220.18  137.041 5025.06  193.681 5415.81  193.931 318.474 6.1614 330.670 5.9418 -12.19553      8.559662  
1 1 1 8   8   13 o 74.978  1.3379 277.502  9.9014  260.152  14.991  290.928  13.187  72.585  2.0924 76.765  1.7404 -4.179695      2.721628  
1 1 1 8   8   14 o 291.794 3.7368 4210.38  107.624 4122.84  152.198 4297.93  152.208 288.444 5.3458 294.530 5.2357 -6.085754      7.482678  
1 1 1 8   8   15 o 246.805 3.0923 3010.94  75.331  2904.69  106.504 3117.31  106.564 242.204 4.4550 250.940 4.3024 -8.735764      6.193346  
1 1 1 8   8   16 o 142.027 6.4144 1003.24  89.920  971.979  127.128 1034.54  127.205 138.905 9.3264 143.413 9.0325 -4.507965      12.98337  
1 1 1 8   8   17 o 17.377  5.3807 14.920   10.177  23.899   17.654  10.452   12.454  22.169  7.1170 16.221  5.9459 5.947140       9.273929  
1 1 1 8   8   18 o 85.164  1.5274 358.122  12.839  354.415  18.124  361.856  18.191  84.700  2.1679 85.585  2.1534 -0.8850632     3.055627  
1 1 1 8   8   19 o 17.773  1.1009 15.654   1.9218  12.604   2.7156  18.715   2.7201  15.878  1.7626 19.416  1.4294 -3.538639      2.269309  
1 1 1 8   8   20 o 108.869 1.8157 585.413  19.511  592.979  28.250  578.514  26.979  109.523 2.6133 108.185 2.5265 1.338165       3.634921  
1 1 1 8   8   21 o 210.098 2.8633 2183.34  59.378  2143.92  87.784  2216.59  80.620  207.907 4.2777 211.498 3.8619 -3.591492      5.763085  
1 1 1 8   8   22 o 132.082 2.0519 862.147  26.750  831.894  38.952  889.150  36.801  129.638 3.0441 134.059 2.7812 -4.420105      4.123298  
1 1 1 8   8   23 o 58.016  1.9242 166.365  11.019  180.497  16.671  155.402  14.684  60.379  2.7974 56.034  2.6549 4.345531       3.856647  
1 1 1 8   8   24 o 107.083 6.3922 580.173  67.254  598.451  94.477  561.397  95.758  107.496 8.9867 103.841 9.4460 3.655251       13.03798  
1 1 1 8   8   25 o 85.609  6.4368 373.544  53.992  359.767  76.149  387.472  76.566  82.485  9.5284 85.834  9.1797 -3.348892      13.23089  
1 1 1 8   8   26 o 124.138 3.0218 765.654  37.026  0.0000   0.0000  765.654  37.026  ?       ?      124.138 3.0218 0.000000       3.021787  
1 1 1 8   8   27 o 68.616  1.8135 233.018  12.282  226.617  15.490  243.857  20.157  67.606  2.3214 70.036  2.9159 -2.430649      3.727078  
1 1 1 8   9   0  o 194.910 2.4438 1876.27  47.015  1829.88  66.454  1922.75  66.524  192.410 3.4991 197.240 3.4171 -4.829544      4.890841  
1 1 1 8   9   1  o 63.470  1.0419 198.835  6.5270  202.218  9.1986  195.403  9.2629  64.004  1.4561 62.916  1.4916 1.088116       2.084465  
1 1 1 8   9   2  o 333.983 4.0477 5513.65  133.435 5543.47  193.971 5486.86  183.848 334.594 5.8733 332.932 5.5946 1.661682       8.111459  
1 1 1 8   9   3  o 67.949  1.0725 227.881  7.1928  231.477  10.200  224.325  10.144  68.479  1.5091 67.413  1.5245 1.066391       2.145147  
1 1 1 8   9   4  o 173.342 6.6531 1488.19  113.831 1500.58  160.985 1475.81  160.978 173.498 9.4361 172.042 9.5168 1.456223       13.40183  
1 1 1 8   9   5  o 321.029 8.5946 5115.27  272.334 5065.88  385.133 5164.67  385.144 318.543 12.249 321.670 12.131 -3.126617      17.23931  
1 1 1 8   9   6  o 372.619 6.7510 6876.08  248.295 6888.23  289.167 6841.95  484.429 372.719 7.8602 369.863 13.270 2.855957       15.42285  
1 1 1 8   9   7  o 139.569 1.8593 961.598  25.614  904.830  36.141  1018.89  36.307  135.366 2.7049 143.649 2.5607 -8.282959      3.724731  
1 1 1 8   9   8  o 194.403 2.8320 1866.30  54.342  1908.31  77.039  1824.69  76.665  196.519 3.9717 192.161 4.0420 4.358215       5.666751  
1 1 1 8   9   9  o 218.042 2.9312 2347.94  63.085  2283.00  89.184  2412.98  89.246  214.925 4.2041 220.967 4.0919 -6.042053      5.866674  
1 1 1 8   9   10 o 57.464  1.2332 162.986  6.9946  169.058  9.9491  157.053  9.8356  58.521  1.7224 56.404  1.7667 2.116432       2.467365  
1 1 1 8   9   11 o 71.471  1.4852 252.145  10.477  238.749  14.806  265.581  14.828  69.538  2.1572 73.343  2.0483 -3.805054      2.974750  
1 1 1 8   9   12 o 67.558  1.6249 225.315  10.835  223.263  15.254  227.405  15.394  67.240  2.2984 67.861  2.2982 -0.6208115     3.250303  
1 1 1 8   9   13 o 97.109  1.6315 465.556  15.638  416.959  22.376  511.957  21.865  91.881  2.4674 101.820 2.1756 -9.939102      3.289541  
1 1 1 8   9   14 o 145.733 2.1471 1048.87  30.884  1056.32  42.152  1040.23  45.381  146.207 2.9209 145.072 3.1693 1.134918       4.309978  
1 1 1 8   9   15 o 40.313  6.2570 82.619   24.090  80.744   34.056  84.498   34.080  39.408  8.9585 40.343  8.8057 -0.9352989     12.56162  
1 1 1 8   9   16 o 32.834  6.4936 55.491   20.299  57.850   28.860  53.181   28.557  33.377  8.6789 32.074  8.7691 1.303619       12.33775  
1 1 1 8   9   17 o 381.845 6.1692 7253.65  232.514 7766.43  513.402 7121.33  260.793 389.425 13.357 377.918 6.9914 11.50665       15.07590  
1 1 1 8   9   18 f 170.760 2.3394 1440.81  39.430  1372.94  54.944  1512.88  56.618  166.585 3.3416 174.876 3.2801 -8.291489      4.682477  
1 1 1 8   9   19 o 160.887 2.3139 1279.07  36.745  1231.16  52.072  1326.58  51.859  157.737 3.3445 163.753 3.2085 -6.016281      4.634664  
1 1 1 8   9   20 o 160.961 2.2577 1280.27  35.870  1271.41  50.947  1288.98  50.510  160.296 3.2201 161.406 3.1705 -1.110291      4.518949  
1 1 1 8   9   21 o 179.285 2.5519 1589.21  45.158  1545.90  61.984  1638.21  65.924  176.673 3.5545 181.850 3.6728 -5.176453      5.111131  
1 1 1 8   9   22 o 129.632 2.1619 830.599  27.662  800.169  39.299  860.484  38.945  127.129 3.1318 131.851 2.9925 -4.722664      4.331675  
1 1 1 8   9   23 o 48.390  1.5911 115.683  7.5997  131.509  14.263  109.408  8.9808  51.460  2.8188 47.048  1.9339 4.412533       3.418428  
1 1 1 8   9   24 o 61.020  6.3484 189.582  37.676  197.701  53.548  181.623  53.019  61.373  9.1167 58.637  9.4845 2.735470       13.15565  
1 1 1 8   9   25 f 149.065 2.3180 1100.58  34.106  1131.45  49.236  1072.10  47.289  150.861 3.3065 146.865 3.2622 3.995682       4.644903  
1 1 1 8   9   26 o 80.241  2.1540 318.869  17.060  316.232  26.056  320.848  22.571  79.718  3.3114 80.385  2.8448 -0.6663589     4.365540  
1 1 1 8   9   27 o 36.524  4.4436 67.897   15.690  66.857   17.766  71.580   33.440  36.059  5.1370 36.077  9.3234 -0.1828384E-01 10.64491  
1 1 1 8   10  0  o 130.951 1.7183 846.667  22.210  855.141  31.380  838.161  31.438  131.577 2.4163 130.262 2.4452 1.314285       3.437595  
1 1 1 8   10  1  f 92.567  1.5344 423.015  14.019  407.987  24.037  430.763  17.259  90.879  2.6796 93.404  1.8720 -2.524986      3.268796  
1 1 1 8   10  2  o 148.921 2.0793 1095.05  30.563  1066.85  51.788  1110.12  37.859  146.917 3.5712 149.922 2.5584 -3.004517      4.393101  
1 1 1 8   10  3  o 74.580  1.3573 274.558  9.9917  277.751  14.154  271.386  14.107  75.005  1.9119 74.141  1.9277 0.8647537      2.715013  
1 1 1 8   10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   10  5  o 171.938 6.6463 1464.91  112.794 1454.76  159.483 1475.08  159.547 170.722 9.5020 171.927 9.4379 -1.205093      13.39264  
1 1 1 8   10  6  o 232.706 2.7588 2674.31  63.366  2731.84  86.154  2606.53  93.524  235.131 3.7122 229.642 4.1261 5.488724       5.550234  
1 1 1 8   10  7  o 206.580 2.7436 2107.50  55.942  2144.94  79.154  2070.13  79.074  208.340 3.8492 204.670 3.9142 3.669937       5.489745  
1 1 1 8   10  8  f 128.288 2.0215 812.524  25.597  831.221  32.142  780.105  42.324  129.743 2.5099 125.660 3.4124 4.082603       4.235997  
1 1 1 8   10  9  f 101.171 1.6216 505.265  16.193  516.631  22.930  493.957  22.872  102.290 2.2711 100.019 2.3168 2.270844       3.244292  
1 1 1 8   10  10 o 124.161 1.8854 761.082  23.105  721.775  33.045  798.678  32.319  120.888 2.7695 127.172 2.5747 -6.283806      3.781416  
1 1 1 8   10  11 o 181.272 2.3164 1622.64  41.446  1550.62  58.602  1694.71  58.625  177.145 3.3516 185.203 3.2070 -8.057785      4.638758  
1 1 1 8   10  12 o 215.047 2.9139 2284.71  61.850  2269.03  87.449  2300.41  87.491  214.193 4.1363 215.672 4.1099 -1.478928      5.831032  
1 1 1 8   10  13 o 170.696 2.2427 1439.01  37.785  1403.09  53.457  1474.87  53.416  168.489 3.2144 172.751 3.1327 -4.262787      4.488444  
1 1 1 8   10  14 o 97.580  2.2265 470.302  21.445  475.868  30.931  465.150  29.759  98.114  3.1939 97.007  3.1080 1.106842       4.456536  
1 1 1 8   10  15 o 197.704 7.0022 1946.55  136.641 1973.23  193.166 1919.82  193.313 198.173 9.8754 195.161 10.070 3.012589       14.10397  
1 1 1 8   10  16 o 94.162  1.6392 437.815  15.235  466.063  21.940  411.516  21.170  97.126  2.2886 91.263  2.3502 5.863213       3.280397  
1 1 1 8   10  17 o 141.155 2.1562 984.331  30.041  1003.50  41.212  962.596  43.883  142.461 2.9309 139.504 3.1870 2.957581       4.329773  
1 1 1 8   10  18 o 14.716  5.2623 9.1282   9.6777  13.885   15.877  6.3159   12.208  18.463  6.7217 14.721  5.7699 3.742544       8.858540  
1 1 1 8   10  19 o 130.232 2.0409 837.873  26.235  798.177  38.474  872.369  35.866  127.028 3.0686 132.832 2.7356 -5.803917      4.110896  
1 1 1 8   10  20 o 126.093 1.8813 785.402  23.414  811.704  33.979  761.619  32.310  128.126 2.6868 124.114 2.6375 4.011612       3.764996  
1 1 1 8   10  21 o 41.297  1.1409 84.199   4.6507  87.831   5.8968  78.222   7.5645  42.174  1.4166 39.790  1.9261 2.383835       2.390892  
1 1 1 8   10  22 o 106.155 1.8862 556.807  19.764  530.398  28.260  582.086  27.650  103.536 2.7653 108.481 2.5823 -4.945404      3.783551  
1 1 1 8   10  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   10  24 o 41.021  3.0969 83.942   12.446  101.864  22.061  75.573   15.075  44.847  5.0730 38.765  3.9972 6.082249       6.458565  
1 1 1 8   10  25 o 47.722  1.4140 112.548  6.6604  112.610  6.9793  111.922  22.287  47.732  1.4814 47.000  4.8752 0.7321091      5.095298  
1 1 1 8   10  26 o 13.784  5.2125 7.0160   9.7150  6.1639   14.015  7.8043   13.479  15.287  6.1205 15.563  6.0732 -0.2763004     8.622257  
1 1 1 8   10  27 o 36.808  1.5358 67.003   5.5795  49.684   17.638  68.929   5.8816  30.748  6.0272 37.330  1.5963 -6.582592      6.234955  
1 1 1 8   11  0  o 67.837  1.0808 227.153  7.2364  248.828  10.794  209.460  9.7526  70.992  1.5404 65.135  1.5170 5.857269       2.161976  
1 1 1 8   11  1  o 41.350  1.0782 84.397   4.4006  82.063   6.1764  86.804   6.2715  40.770  1.5348 41.932  1.5153 -1.161541      2.156808  
1 1 1 8   11  2  o 80.325  1.2592 318.497  9.9831  376.390  14.952  271.934  13.410  87.312  1.7350 74.212  1.8307 13.09974       2.522246  
1 1 1 8   11  3  o 83.619  6.0709 348.553  49.765  335.784  70.413  361.297  70.344  81.594  8.8867 84.741  8.5258 -3.147034      12.31509  
1 1 1 8   11  4  f 285.657 8.0867 4059.07  228.009 3941.35  322.402 4176.86  322.504 280.300 11.653 288.685 11.318 -8.385315      16.24488  
1 1 1 8   11  5  o 44.362  1.7322 97.157   7.5850  78.840   13.236  106.114  9.2555  39.798  3.4021 46.359  2.0227 -6.561184      3.957980  
1 1 1 8   11  6  o 243.285 3.2561 2924.40  78.188  2928.23  110.636 2920.57  110.514 243.303 4.6070 242.985 4.6079 0.3187256      6.515918  
1 1 1 8   11  7  o 133.494 2.6791 880.164  35.300  0.0000   0.0000  880.164  35.300  ?       ?      133.494 2.6791 0.000000       2.679067  
1 1 1 8   11  8  o 193.612 3.2158 1852.06  61.455  1730.39  111.340 1905.37  73.699  186.882 6.0360 196.335 3.8030 -9.453400      7.134163  
1 1 1 8   11  9  o 178.659 2.2987 1576.19  40.536  1557.31  57.375  1595.01  57.280  177.531 3.2743 179.670 3.2299 -2.138962      4.599242  
1 1 1 8   11  10 o 354.575 4.2134 6217.74  147.461 6093.10  208.530 6342.40  208.552 350.618 6.0256 357.749 5.9061 -7.131226      8.437446  
1 1 1 8   11  11 o 264.231 3.1668 3450.10  82.592  3374.64  116.793 3525.58  116.813 261.149 4.5310 266.941 4.4334 -5.791809      6.339204  
1 1 1 8   11  12 o 145.355 2.2045 1043.43  31.629  1045.66  39.444  1039.42  52.936  145.482 2.7468 144.985 3.6991 0.4976654      4.607432  
1 1 1 8   11  13 o 77.181  1.5503 294.093  11.810  303.101  17.085  285.850  16.344  78.338  2.2095 76.077  2.1766 2.261086       3.101549  
1 1 1 8   11  14 o 98.747  7.0612 487.933  68.369  593.303  118.787 435.736  83.605  107.861 11.327 92.817  9.2490 15.04455       14.62323  
1 1 1 8   11  15 o 68.569  2.3073 232.284  15.616  238.839  21.609  225.119  22.593  69.498  3.1502 67.375  3.4084 2.122627       4.641191  
1 1 1 8   11  16 o 66.339  1.6687 217.320  10.927  209.668  15.616  224.661  15.294  65.138  2.4289 67.431  2.2979 -2.293228      3.343603  
1 1 1 8   11  17 f 53.465  1.2841 141.128  6.7765  165.960  10.716  124.581  8.7476  57.966  1.8729 50.225  1.7646 7.741364       2.573241  
1 1 1 8   11  18 o 89.350  1.6672 394.264  14.703  400.035  21.559  389.246  20.103  89.968  2.4278 88.753  2.2948 1.214729       3.340724  
1 1 1 8   11  19 o 80.075  3.7375 317.574  29.540  317.574  29.540  0.0000   0.0000  80.075  3.7375 ?       ?      0.000000       3.737464  
1 1 1 8   11  20 o 104.546 1.8682 539.928  19.278  596.579  27.848  487.801  26.713  109.847 2.5685 99.318  2.7250 10.52942       3.744667  
1 1 1 8   11  21 f 200.986 2.8861 1998.62  57.255  2022.44  81.320  1975.19  80.626  201.926 4.0801 199.550 4.0935 2.376190       5.779596  
1 1 1 8   11  22 o 156.171 6.7110 1222.70  103.448 1267.68  147.316 1178.95  145.301 157.522 9.5197 151.763 9.7515 5.758698       13.62777  
1 1 1 8   11  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   11  24 o 74.854  2.0696 277.187  15.291  264.860  23.005  286.945  20.467  73.051  3.1905 76.094  2.7250 -3.042801      4.195863  
1 1 1 8   11  25 o 50.530  1.4865 126.208  7.4139  123.209  8.2636  138.582  16.786  49.916  1.6772 52.697  3.2429 -2.781498      3.650982  
1 1 1 8   11  26 o 72.695  2.1181 261.758  15.198  299.724  24.001  236.345  19.636  77.621  3.1327 68.969  2.8845 8.651939       4.258422  
1 1 1 8   11  27 o 37.038  1.5483 67.849   5.6603  71.689   6.1295  45.606   14.751  38.067  1.6313 29.622  5.2368 8.445248       5.485024  
1 1 1 8   12  0  o 88.670  1.2838 388.141  11.236  377.989  16.009  397.997  15.773  87.488  1.8539 89.776  1.7800 -2.287918      2.570089  
1 1 1 8   12  1  o 120.932 1.6700 722.113  19.934  713.050  28.270  731.076  28.112  120.139 2.3841 121.650 2.3413 -1.511330      3.341449  
1 1 1 8   12  2  o 89.851  1.3231 398.550  11.734  415.775  17.245  383.699  16.013  91.758  1.9041 88.149  1.8404 3.608574       2.648131  
1 1 1 8   12  3  o 50.490  6.0712 128.342  29.650  126.509  41.936  130.174  41.925  49.591  8.8943 50.349  8.7542 -0.7582436     12.47976  
1 1 1 8   12  4  o 193.413 6.9142 1859.40  131.995 1831.54  186.684 1887.26  186.654 190.989 9.9373 193.930 9.7828 -2.941544      13.94463  
1 1 1 8   12  5  o 148.808 1.9176 1093.41  28.165  1092.26  39.988  1094.54  39.676  148.691 2.7247 148.847 2.7006 -0.1566315     3.836261  
1 1 1 8   12  6  o 74.523  1.3014 274.143  9.5726  294.218  13.618  254.534  13.459  77.195  1.7872 71.799  1.8992 5.396461       2.607881  
1 1 1 8   12  7  o 325.309 3.8272 5232.80  122.888 5101.13  173.770 5364.53  173.810 320.863 5.4868 329.075 5.3512 -8.211456      7.664214  
1 1 1 8   12  8  o 186.115 3.4542 1712.18  63.455  1795.48  178.444 1700.13  67.893  189.363 9.5783 185.437 3.7093 3.926163       10.27147  
1 1 1 8   12  9  o 37.214  2.0267 68.586   7.4163  56.144   10.645  80.324   10.339  33.547  3.2556 40.240  2.6172 -6.692192      4.177210  
1 1 1 8   12  10 o 100.541 1.3778 499.002  13.673  485.537  19.414  512.255  19.260  99.161  1.9836 101.854 1.9158 -2.693642      2.757690  
1 1 1 8   12  11 o 240.021 3.1299 2847.37  74.149  2885.15  104.994 2809.78  104.733 241.432 4.4059 238.251 4.4536 3.181625       6.264727  
1 1 1 8   12  12 o 130.084 1.9385 835.637  24.890  812.392  35.458  858.216  34.947  128.219 2.8018 131.792 2.6865 -3.573471      3.881650  
1 1 1 8   12  13 o 70.640  5.9299 249.536  40.963  210.886  57.869  288.352  57.993  64.213  9.4096 75.619  7.8858 -11.40646      12.27706  
1 1 1 8   12  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   12  15 o 111.548 1.8513 614.532  20.383  581.843  29.900  642.913  27.860  108.489 2.7922 114.061 2.4746 -5.572075      3.730982  
1 1 1 8   12  16 o 138.231 2.1295 943.996  29.055  921.316  42.939  963.151  39.461  136.472 3.1877 139.567 2.8645 -3.095551      4.285694  
1 1 1 8   12  17 o 169.131 2.5583 1413.97  42.707  1466.72  59.749  1358.86  61.067  172.136 3.5167 165.654 3.7348 6.481918       5.129899  
1 1 1 8   12  18 o 235.094 3.0392 2734.09  70.524  2754.87  100.065 2713.58  99.410  235.707 4.3011 233.933 4.3053 1.774139       6.085636  
1 1 1 8   12  19 o 94.014  1.8059 436.584  16.758  439.052  24.978  434.564  22.599  94.229  2.6856 93.762  2.4419 0.4670258      3.629762  
1 1 1 8   12  20 o 62.852  2.8048 195.402  17.400  190.897  18.278  238.967  56.839  62.114  2.9813 68.350  8.6166 -6.235798      9.117739  
1 1 1 8   12  21 o 41.465  1.5816 84.921   6.4729  77.714   13.476  87.083   7.3800  39.452  3.4969 41.985  1.7809 -2.532959      3.924276  
1 1 1 8   12  22 o 107.423 6.4060 580.136  67.614  566.682  95.282  593.783  95.964  105.119 9.2785 107.691 9.1136 -2.571777      13.00568  
1 1 1 8   12  23 o 106.954 2.0216 565.607  21.341  567.649  29.630  563.405  30.764  107.055 2.8041 106.637 2.9228 0.4175568      4.050404  
1 1 1 8   12  24 o 35.212  3.3853 62.156   11.621  50.915   17.515  70.996   15.531  31.321  5.8816 37.494  4.2731 -6.172913      7.269970  
1 1 1 8   12  25 o 59.398  1.3809 174.367  8.0960  192.033  13.984  165.460  9.9294  62.259  2.2755 57.837  1.7393 4.421822       2.864147  
1 1 1 8   12  26 o 51.058  2.5723 129.705  12.922  130.974  20.476  128.864  16.658  50.992  4.1030 50.750  3.3442 0.2423172      5.293212  
1 1 1 8   12  27 o 75.729  2.2881 284.441  17.103  289.842  27.137  280.881  22.029  76.163  3.6098 75.126  2.9708 1.037674       4.675032  
1 1 1 8   13  0  o 123.015 1.6763 747.253  20.354  722.844  29.106  770.615  28.474  120.951 2.4380 124.891 2.3099 -3.940422      3.358499  
1 1 1 8   13  1  o 86.729  1.4011 371.368  11.994  404.623  17.620  342.654  16.373  90.512  1.9723 83.292  1.9916 7.219627       2.802941  
1 1 1 8   13  2  o 70.747  6.0339 250.534  41.732  239.086  58.911  262.064  59.124  68.524  8.9217 71.887  8.4969 -3.363388      12.32045  
1 1 1 8   13  3  o 19.819  6.0119 19.611   12.786  16.889   17.951  22.414   18.216  19.997  7.1652 21.790  7.2448 -1.792395      10.18958  
1 1 1 8   13  4  o 188.911 2.2433 1762.84  41.830  1758.86  59.312  1766.77  59.001  188.611 3.1860 189.037 3.1621 -0.4259796     4.488831  
1 1 1 8   13  5  o 177.780 2.2126 1561.12  38.825  1509.42  54.969  1612.59  54.845  174.733 3.1872 180.616 3.0764 -5.883591      4.429756  
1 1 1 8   13  6  o 184.029 2.2880 1672.85  41.559  1580.70  58.644  1765.81  58.905  178.803 3.3229 189.000 3.1576 -10.19685      4.583876  
1 1 1 8   13  7  o 214.973 2.8146 2283.65  59.722  2243.44  81.062  2331.39  88.324  212.952 3.8566 217.048 4.1228 -4.096359      5.645391  
1 1 1 8   13  8  o 69.515  1.3727 238.559  9.4186  249.313  13.689  228.893  12.979  71.054  1.9519 68.082  1.9314 2.971443       2.745957  
1 1 1 8   13  9  o 44.398  2.3051 97.628   10.067  96.067   35.471  97.765   10.499  43.113  8.6366 44.422  2.4033 -1.309635      8.964772  
1 1 1 8   13  10 o 140.828 1.9580 979.403  27.216  982.978  38.639  975.882  38.343  141.038 2.7756 140.529 2.7643 0.5092468      3.917268  
1 1 1 8   13  11 o 186.889 2.6141 1725.83  48.221  1695.05  68.364  1756.30  68.026  185.097 3.7419 188.421 3.6577 -3.324829      5.232692  
1 1 1 8   13  12 o 99.761  6.1290 496.483  60.058  508.096  84.974  484.891  84.896  100.398 8.6596 98.010  8.8719 2.387840       12.39756  
1 1 1 8   13  13 o 177.873 6.7767 1576.06  118.976 1614.20  168.290 1537.96  168.226 178.951 9.5624 174.569 9.8029 4.382172       13.69438  
1 1 1 8   13  14 f 90.019  1.6080 400.141  14.287  417.577  20.397  383.349  20.018  91.934  2.2478 88.083  2.3024 3.850754       3.217774  
1 1 1 8   13  15 o 167.397 2.4498 1384.88  40.478  1394.76  57.495  1375.16  56.997  167.875 3.4698 166.692 3.4642 1.182938       4.903114  
1 1 1 8   13  16 o 97.942  1.7497 473.773  16.915  480.938  24.349  467.091  23.516  98.641  2.5009 97.214  2.4508 1.427467       3.501526  
1 1 1 8   13  17 f 57.910  1.3949 165.588  7.9732  177.024  11.586  155.301  10.989  59.862  1.9609 56.068  1.9857 3.793777       2.790742  
1 1 1 8   13  18 o 44.403  1.3054 97.350   5.7212  113.993  8.2980  82.270   7.8987  48.040  1.7500 40.808  1.9610 7.232647       2.628299  
1 1 1 8   13  19 o 100.180 1.8148 495.767  17.945  526.957  25.997  467.385  24.800  103.236 2.5513 97.223  2.5843 6.012703       3.631519  
1 1 1 8   13  20 o 126.735 2.0503 793.715  25.647  830.547  35.579  753.873  37.004  129.572 2.7820 123.418 3.0377 6.154007       4.119087  
1 1 1 8   13  21 o 56.109  6.5464 159.690  35.574  165.366  49.772  153.762  50.863  56.389  9.2644 54.151  9.8803 2.238022       13.54434  
1 1 1 8   13  22 o 36.977  3.2462 68.276   11.728  79.211   17.852  59.972   15.556  39.628  4.6526 34.398  4.7051 5.229805       6.616947  
1 1 1 8   13  23 o 16.309  1.7109 13.290   2.7131  7.8774   16.420  13.442   2.7509  16.786  6.6560 16.401  1.7251 0.3847504      6.875915  
1 1 1 8   13  24 o 82.933  2.0650 340.336  16.903  358.718  25.355  325.631  22.678  85.014  3.0217 81.026  2.8356 3.988098       4.143794  
1 1 1 8   13  25 o 34.802  1.4157 59.868   4.8631  58.119   6.9346  61.561   6.8218  34.198  2.0641 35.210  1.9708 -1.012238      2.853854  
1 1 1 8   13  26 o 80.091  1.9163 317.621  15.149  326.402  19.998  305.799  23.204  81.097  2.4983 78.399  2.9986 2.697800       3.902991  
1 1 1 8   13  27 o 67.484  2.4795 226.142  16.516  226.499  25.832  225.895  21.479  67.121  3.9161 67.303  3.2334 -0.1815109     5.078428  
1 1 1 8   14  0  o 142.734 1.8718 1006.22  26.371  1020.44  37.492  992.301  37.101  143.684 2.6436 141.689 2.6528 1.995773       3.745149  
1 1 1 8   14  1  o 144.105 1.8924 1025.65  26.917  1038.39  38.518  1013.48  37.630  144.941 2.6924 143.194 2.6624 1.746582       3.786502  
1 1 1 8   14  2  o 183.672 6.8455 1681.48  124.103 1715.33  175.555 1647.66  175.461 184.367 9.6810 180.602 9.8804 3.764999       13.83267  
1 1 1 8   14  3  o 283.438 7.6141 4013.06  213.016 0.0000   0.0000  4013.06  213.016 ?       ?      283.438 7.6141 0.000000       7.614149  
1 1 1 8   14  4  o 163.173 2.1017 1315.22  33.850  1351.34  48.008  1279.50  47.734  165.327 2.9420 160.866 3.0063 4.460754       4.206316  
1 1 1 8   14  5  o 222.607 2.6809 2449.14  58.905  2400.62  83.374  2497.49  83.234  220.224 3.8356 224.637 3.7539 -4.413437      5.366944  
1 1 1 8   14  6  o 70.312  1.4338 244.087  9.9508  219.397  14.106  268.548  14.040  66.645  2.1443 73.739  1.9290 -7.094582      2.884283  
1 1 1 8   14  7  f 103.446 1.5211 528.351  15.531  500.927  21.735  556.961  22.200  100.701 2.1867 106.187 2.1181 -5.485962      3.044345  
1 1 1 8   14  8  o 125.157 1.9807 773.648  24.468  773.844  30.428  773.290  41.162  125.147 2.4633 125.041 3.3352 0.1059570      4.146208  
1 1 1 8   14  9  o 51.483  1.0541 130.835  5.3565  110.937  7.4748  151.840  7.6798  47.400  1.5977 55.457  1.4030 -8.057137      2.126259  
1 1 1 8   14  10 o 86.645  6.0578 375.006  51.481  377.425  72.854  372.593  72.757  86.392  8.6604 85.819  8.7100 0.5728912      12.28277  
1 1 1 8   14  11 o 210.464 7.1286 2209.11  148.086 2255.40  209.484 2162.87  209.367 211.577 10.031 207.102 10.242 4.475525       14.33614  
1 1 1 8   14  12 o 183.836 6.8519 1684.92  124.329 1700.76  176.093 1669.18  175.564 183.504 9.7572 181.760 9.8224 1.743622       13.84499  
1 1 1 8   14  13 o 35.820  1.1533 63.340   4.0777  61.070   13.501  63.568   4.2774  34.888  3.9925 35.883  1.2077 -0.9949036     4.171124  
1 1 1 8   14  14 o 130.904 2.2068 846.676  28.514  840.258  35.853  857.722  47.036  130.361 2.7864 131.624 3.6205 -1.262970      4.568552  
1 1 1 8   14  15 o 54.224  1.8201 145.228  9.7412  141.102  15.311  148.034  12.626  53.334  2.9196 54.730  2.3372 -1.396770      3.739904  
1 1 1 8   14  16 o 131.129 2.2439 849.724  29.042  864.811  41.071  834.636  41.073  132.203 3.1475 129.870 3.2041 2.333038       4.491416  
1 1 1 8   14  17 o 59.897  1.2889 177.137  7.6199  175.534  10.777  178.740  10.775  59.611  1.8317 60.154  1.8148 -0.5424385     2.578465  
1 1 1 8   14  18 o 147.703 2.2680 1078.27  33.066  1083.60  47.024  1073.06  46.504  147.956 3.2200 147.238 3.1999 0.7181702      4.539568  
1 1 1 8   14  19 o 56.466  2.1171 157.568  11.799  155.542  17.586  159.228  15.913  55.962  3.1970 56.659  2.8546 -0.6974182     4.285919  
1 1 1 8   14  20 o 99.967  6.3033 501.613  61.877  514.662  87.422  488.514  87.592  100.436 8.9111 97.732  9.1881 2.703979       12.79955  
1 1 1 8   14  21 o 93.185  3.6599 430.675  33.663  595.351  90.769  404.414  36.248  108.053 8.5814 90.246  4.0693 17.80702       9.497349  
1 1 1 8   14  22 o 13.660  2.8535 9.5860   3.7232  32.838   16.065  8.2662   3.8274  25.098  6.4500 12.665  3.0893 12.43339       7.151659  
1 1 1 8   14  23 o 9.2731  3.3019 3.6533   3.8062  1.4268   3.9239  39.098   15.656  8.0229  3.2292 27.375  5.9630 -19.35176      6.781263  
1 1 1 8   14  24 o 38.292  1.1713 72.429   4.4269  83.019   7.5073  66.784   5.4813  40.967  1.8566 36.758  1.5108 4.208843       2.393613  
1 1 1 8   14  25 o 16.516  1.9621 13.694   3.1359  14.820   15.440  13.645   3.2026  18.395  6.6390 16.479  2.0107 1.916437       6.936841  
1 1 1 8   14  26 o 47.975  2.7807 114.804  13.111  126.526  20.204  106.277  17.232  50.065  4.1253 45.929  3.8362 4.136093       5.633342  
1 1 1 8   14  27 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   15  0  o 69.055  6.1388 239.294  41.406  232.260  58.687  246.265  58.427  67.374  9.0543 69.496  8.7089 -2.122246      12.56286  
1 1 1 8   15  1  o 37.727  6.4387 72.857   23.116  77.898   32.737  67.844   32.644  38.635  8.7836 36.039  9.1581 2.596283       12.68943  
1 1 1 8   15  2  o 123.664 6.3271 763.641  76.971  763.409  108.895 763.872  108.812 122.905 9.0399 122.946 9.0298 -0.4089355E-01 12.77720  
1 1 1 8   15  3  o 186.212 2.4003 1713.52  44.117  1777.92  62.655  1650.19  62.131  189.561 3.3487 182.611 3.4471 6.950089       4.805825  
1 1 1 8   15  4  o 170.368 2.3505 1434.25  39.525  1486.26  56.592  1384.72  55.227  173.323 3.3080 167.294 3.3446 6.029602       4.704156  
1 1 1 8   15  5  f 201.539 2.7386 2007.97  54.478  2008.72  77.214  2007.23  76.874  201.405 3.8841 201.333 3.8684 0.7211304E-01  5.481891  
1 1 1 8   15  6  o 89.243  1.4916 393.247  13.138  365.888  18.795  419.395  18.374  86.056  2.2127 92.143  2.0202 -6.086197      2.996216  
1 1 1 8   15  7  o 50.981  1.4947 128.332  7.5212  125.144  12.855  129.991  9.2741  50.251  2.6007 51.303  1.8315 -1.051872      3.180882  
1 1 1 8   15  8  o 123.520 1.8889 753.579  23.029  765.864  31.764  739.965  33.437  124.479 2.5852 122.343 2.7689 2.136337       3.788175  
1 1 1 8   15  9  o 69.310  1.3382 237.174  9.1546  272.572  13.783  209.230  12.246  74.287  1.8797 65.085  1.9062 9.202240       2.677164  
1 1 1 8   15  10 o 31.686  3.1417 50.148   9.6963  69.087   15.338  37.541   12.514  37.096  4.2667 27.102  4.8564 9.993368       6.464530  
1 1 1 8   15  11 o 138.105 6.4040 950.448  87.296  972.864  123.301 927.921  123.609 138.782 9.0507 135.438 9.3029 3.344620       12.97919  
1 1 1 8   15  12 f 149.062 2.3127 1098.02  34.027  1144.23  48.594  1053.55  47.664  152.072 3.2374 145.913 3.3095 6.158173       4.629637  
1 1 1 8   15  13 o 135.831 1.9895 911.452  26.674  959.080  38.005  865.216  37.445  139.269 2.7647 132.269 2.8682 7.000244       3.983739  
1 1 1 8   15  14 o 69.555  1.4521 238.890  9.9691  243.594  14.528  234.705  13.704  70.215  2.0963 68.925  2.0144 1.290009       2.907295  
1 1 1 8   15  15 o 77.013  1.7294 292.942  13.146  300.460  18.863  285.842  18.331  77.963  2.4513 76.043  2.4423 1.919777       3.460290  
1 1 1 8   15  16 o 47.171  1.2236 109.861  5.6969  114.224  8.0265  105.432  8.0871  48.090  1.6910 46.200  1.7735 1.889702       2.450433  
1 1 1 8   15  17 o 45.814  2.3563 104.031  10.619  113.022  15.092  95.216   14.944  47.673  3.2264 43.707  3.4932 3.966541       4.755185  
1 1 1 8   15  18 o 102.735 1.8859 521.461  19.124  522.255  27.054  520.667  27.036  102.756 2.6674 102.600 2.6697 0.1565628      3.773891  
1 1 1 8   15  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   15  20 o 110.332 6.3462 611.480  68.820  622.851  97.107  600.006  97.548  110.399 8.9896 108.249 9.2176 2.150780       12.87540  
1 1 1 8   15  21 f 165.666 2.3738 1357.59  38.815  1330.18  54.598  1385.61  55.193  163.793 3.3771 167.178 3.3448 -3.384827      4.753199  
1 1 1 8   15  22 o 111.461 6.4036 627.174  70.154  621.256  98.921  633.164  99.507  109.629 9.2276 110.702 9.1899 -1.072472      13.02319  
1 1 1 8   15  23 o 108.365 2.0584 581.003  22.017  567.375  32.877  592.084  29.647  106.913 3.1155 109.286 2.7484 -2.372910      4.154510  
1 1 1 8   15  24 f 70.242  2.6041 244.737  18.054  231.243  23.474  264.280  28.250  68.051  3.5067 72.650  3.9545 -4.598953      5.285337  
1 1 1 8   15  25 o 41.891  1.7095 86.836   7.0683  73.731   19.039  88.931   7.6123  37.850  5.2365 42.386  1.8196 -4.535252      5.543622  
1 1 1 8   15  26 o 128.704 6.6753 856.742  84.509  858.972  120.091 854.553  118.945 125.674 9.7578 125.438 9.6818 0.2361984      13.74600  
1 1 1 8   15  27 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   16  0  o 174.154 2.2380 1498.88  38.470  1520.50  54.750  1477.79  54.066  175.285 3.1645 172.805 3.1698 2.480179       4.479068  
1 1 1 8   16  1  o 110.072 6.3060 606.072  68.226  584.819  96.560  627.260  96.413  107.307 9.2058 111.274 8.8514 -3.967255      12.77088  
1 1 1 8   16  2  o 142.598 1.8993 1004.45  26.732  982.785  37.997  1025.68  37.615  140.983 2.7305 144.035 2.6458 -3.051849      3.802134  
1 1 1 8   16  3  o 270.033 3.2869 3608.32  87.607  3636.40  124.078 3580.40  123.713 270.721 4.6434 268.621 4.6660 2.099518       6.582753  
1 1 1 8   16  4  o 118.735 1.6289 696.223  19.089  686.282  27.183  705.896  26.814  117.844 2.3370 119.520 2.2729 -1.676483      3.260035  
1 1 1 8   16  5  o 164.633 2.1788 1339.21  35.405  1316.66  50.160  1361.59  49.980  163.141 3.1150 165.910 3.0521 -2.768448      4.360995  
1 1 1 8   16  6  o 220.435 2.7902 2402.69  60.708  2437.98  86.038  2367.70  85.671  221.839 3.9293 218.609 3.9704 3.229874       5.586021  
1 1 1 8   16  7  o 97.798  1.6336 472.337  15.769  460.305  22.642  483.671  21.976  96.509  2.3769 98.935  2.2504 -2.426331      3.273226  
1 1 1 8   16  8  o 153.563 2.2393 1165.25  33.941  1120.66  50.684  1201.50  45.702  150.471 3.4126 155.859 2.9708 -5.387619      4.524493  
1 1 1 8   16  9  o 227.824 3.7932 2570.85  85.297  2613.62  139.337 2545.22  107.870 229.031 6.1637 226.431 4.8265 2.599915       7.828531  
1 1 1 8   16  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   16  11 o 86.625  1.9365 370.694  16.558  399.002  29.767  358.011  19.925  89.783  3.3590 85.109  2.3718 4.673836       4.111971  
1 1 1 8   16  12 o 232.783 3.8084 2684.70  87.503  2694.94  94.038  2618.57  238.908 233.158 4.0862 226.904 10.667 6.254608       11.42318  
1 1 1 8   16  13 o 62.377  1.7326 192.184  10.668  193.886  15.127  190.501  15.046  62.627  2.4471 62.078  2.4556 0.5495415      3.466693  
1 1 1 8   16  14 o 82.841  1.6665 338.954  13.626  348.310  19.139  329.337  19.405  83.946  2.3099 81.622  2.4086 2.323769       3.337200  
1 1 1 8   16  15 o 99.561  1.9440 489.743  19.104  505.359  24.291  464.424  30.930  101.104 2.4342 96.858  3.2352 4.246277       4.048713  
1 1 1 8   16  16 o 124.320 2.0996 763.791  25.764  730.850  36.168  797.726  36.709  121.522 3.0153 126.971 2.9292 -5.448273      4.203827  
1 1 1 8   16  17 o 92.742  1.8561 424.948  16.991  430.633  23.854  419.093  24.206  93.311  2.5900 92.047  2.6643 1.264580       3.715719  
1 1 1 8   16  18 o 101.296 8.9721 523.951  88.778  543.192  125.411 504.625  125.691 101.458 12.809 97.439  13.425 4.019173       18.55532  
1 1 1 8   16  19 o 82.566  6.2226 343.047  50.339  314.303  70.939  372.202  71.443  78.047  9.3975 85.299  8.6031 -7.252289      12.74075  
1 1 1 8   16  20 o 146.166 2.4201 1056.86  34.915  1042.87  48.884  1071.43  49.887  145.027 3.4149 146.995 3.4383 -1.968033      4.846031  
1 1 1 8   16  21 o 52.280  1.4783 135.021  7.6285  130.435  10.770  139.640  10.807  51.357  2.1246 53.141  2.0603 -1.784637      2.959542  
1 1 1 8   16  22 o 67.258  2.3920 223.948  15.880  223.307  22.090  224.633  22.843  67.063  3.3372 67.159  3.4578 -0.9669495E-01 4.805546  
1 1 1 8   16  23 o 78.396  3.2345 305.446  25.029  305.446  25.029  0.0000   0.0000  78.396  3.2345 ?       ?      0.000000       3.234542  
1 1 1 8   16  24 o 23.368  5.0844 28.555   11.394  37.064   15.761  19.240   16.491  26.482  6.1478 20.089  6.8932 6.393629       9.236391  
1 1 1 8   16  25 f 55.504  2.6640 153.115  14.595  158.343  20.441  147.679  20.845  56.141  3.7098 54.151  3.9266 1.989677       5.401921  
1 1 1 8   16  26 o 79.229  6.7098 327.120  51.979  313.079  72.620  341.870  74.432  75.139  10.043 78.765  9.7849 -3.625977      14.02163  
1 1 1 8   16  27 o 67.319  1.8572 224.618  12.341  182.882  23.580  240.361  14.482  60.154  3.9942 69.595  2.1082 -9.441036      4.516408  
1 1 1 8   17  0  o 31.751  6.8459 52.411   20.823  57.738   29.473  47.103   29.424  33.194  8.8385 30.301  9.1040 2.893795       12.68867  
1 1 1 8   17  1  o 57.663  9.1875 172.124  50.537  182.924  71.996  161.634  70.954  58.398  12.840 54.747  13.269 3.650723       18.46441  
1 1 1 8   17  2  o 168.125 2.9608 1398.50  49.133  1401.13  51.733  1374.28  156.936 168.260 3.1150 164.386 9.7153 3.873688       10.20248  
1 1 1 8   17  3  o 187.099 2.3834 1730.35  44.016  1756.98  62.459  1704.09  62.039  188.387 3.3590 185.524 3.3879 2.862473       4.770826  
1 1 1 8   17  4  o 73.893  1.4953 269.631  10.906  265.066  15.712  273.875  15.150  73.239  2.1735 74.451  2.0615 -1.211891      2.995678  
1 1 1 8   17  5  o 170.075 2.2703 1429.52  38.111  1454.50  54.293  1405.25  53.510  171.436 3.2086 168.507 3.2173 2.928741       4.543759  
1 1 1 8   17  6  o 118.951 1.7793 698.894  20.891  707.976  31.069  691.398  28.224  119.661 2.6305 118.269 2.4178 1.392082       3.572848  
1 1 1 8   17  7  o 34.441  2.3604 58.905   7.9757  71.958   11.980  48.515   10.689  37.995  3.2250 31.101  3.5452 6.894350       4.792653  
1 1 1 8   17  8  o 45.359  1.9393 101.645  8.6823  109.269  12.835  95.212   11.789  46.922  2.7837 43.793  2.7412 3.129257       3.906792  
1 1 1 8   17  9  o 75.950  6.2082 289.584  46.133  277.561  65.439  301.462  65.047  73.601  9.2094 76.886  8.7258 -3.284935      12.68675  
1 1 1 8   17  10 o 82.315  1.6103 334.638  13.083  318.769  18.036  352.260  19.007  80.310  2.2753 84.423  2.2809 -4.113113      3.221720  
1 1 1 8   17  11 o 51.963  1.9068 133.397  9.7798  130.583  14.029  136.057  13.640  51.307  2.7807 52.387  2.6465 -1.079704      3.838784  
1 1 1 8   17  12 o 252.244 3.3760 3150.64  84.054  3151.01  116.600 3150.25  121.278 251.867 4.6902 251.769 4.8803 0.9733582E-01  6.768719  
1 1 1 8   17  13 o 179.041 3.7031 1588.58  65.441  1568.05  70.770  1709.72  171.897 177.812 4.0323 183.398 9.5288 -5.585556      10.34689  
1 1 1 8   17  14 o 92.787  1.7830 425.309  16.329  420.126  23.104  430.483  23.083  92.173  2.5395 93.304  2.5064 -1.131660      3.568080  
1 1 1 8   17  15 o 114.440 2.1578 647.310  24.374  641.135  40.411  650.841  30.557  113.741 3.5996 114.703 2.6990 -0.9621735     4.499064  
1 1 1 8   17  16 o 185.042 3.1615 1695.51  57.743  1667.32  70.829  1751.39  99.711  183.333 3.9141 187.469 5.3887 -4.135544      6.660185  
1 1 1 8   17  17 o 165.850 6.7136 1379.11  109.901 1376.48  155.499 1381.73  155.349 164.076 9.6441 164.407 9.6151 -0.3309631     13.61830  
1 1 1 8   17  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   17  19 o 72.544  2.4711 260.367  17.694  250.066  22.405  277.437  28.843  71.035  3.1955 74.641  3.9288 -3.606003      5.064312  
1 1 1 8   17  20 o 51.810  2.6574 133.246  13.544  126.850  18.759  140.210  19.575  50.393  3.7994 53.000  3.7664 -2.606663      5.349839  
1 1 1 8   17  21 o 66.548  2.7258 219.411  17.904  217.807  28.577  220.447  22.972  65.953  4.4154 66.529  3.5107 -0.5754166     5.640978  
1 1 1 8   17  22 o 66.145  2.1599 216.555  14.101  243.881  29.693  208.598  16.023  69.755  4.3341 64.885  2.5019 4.869728       5.004411  
1 1 1 8   17  23 o 107.397 2.2540 571.460  23.894  576.501  33.506  566.244  34.083  107.669 3.1528 106.685 3.2367 0.9840164      4.518431  
1 1 1 8   17  24 o 16.111  1.4084 12.932   2.2172  10.370   2.9706  16.154   3.3314  14.304  2.1724 17.961  1.9084 -3.657103      2.891564  
1 1 1 8   17  25 o 25.749  7.8060 35.435   21.561  31.579   29.155  40.088   32.030  25.465  9.1308 27.821  9.6032 -2.355686      13.25115  
1 1 1 8   17  26 o 58.568  2.6667 170.733  15.416  151.863  21.470  190.818  22.149  54.812  3.9959 61.584  3.6603 -6.772079      5.418933  
1 1 1 8   17  27 o 102.670 3.0760 526.975  31.172  524.909  36.131  532.990  61.649  102.237 3.5804 101.125 6.2063 1.111382       7.165070  
1 1 1 8   18  0  o 60.118  6.3192 183.314  36.936  195.411  52.015  171.010  52.459  61.335  8.8478 57.034  9.6636 4.300915       13.10226  
1 1 1 8   18  1  o 87.771  1.4576 380.502  12.627  381.709  18.061  379.346  17.661  87.874  2.0823 87.604  2.0425 0.2696915      2.916822  
1 1 1 8   18  2  o 87.553  1.5525 378.620  13.416  382.803  19.062  374.514  18.885  87.999  2.1947 87.040  2.1982 0.9581299      3.106238  
1 1 1 8   18  3  o 119.487 2.2992 705.813  27.116  710.368  28.109  644.726  102.939 119.865 2.3758 112.355 9.3677 7.510460       9.664322  
1 1 1 8   18  4  o 91.692  1.5119 415.220  13.683  410.897  19.429  419.473  19.274  91.180  2.1588 92.129  2.1196 -0.9490204     3.025402  
1 1 1 8   18  5  o 115.679 1.7483 661.027  19.962  683.695  28.997  640.607  27.522  117.589 2.4983 113.827 2.4496 3.761429       3.498920  
1 1 1 8   18  6  o 149.171 2.0540 1099.57  30.242  1117.77  43.149  1082.00  42.398  150.304 2.9085 147.880 2.9047 2.423965       4.110552  
1 1 1 8   18  7  o 75.284  1.6248 279.930  12.074  284.162  17.680  276.231  16.528  75.817  2.3626 74.758  2.2399 1.059067       3.255594  
1 1 1 8   18  8  f 25.982  7.2403 34.832   19.261  39.898   27.011  29.591   27.473  28.162  8.7738 25.499  8.8886 2.663441       12.48943  
1 1 1 8   18  9  o 124.822 1.9230 769.799  23.692  783.239  34.040  757.172  32.995  125.834 2.7407 123.726 2.7018 2.107628       3.848522  
1 1 1 8   18  10 o 68.385  1.5707 230.968  10.602  234.340  13.592  225.727  16.943  68.866  1.9996 67.563  2.5407 1.303055       3.233229  
1 1 1 8   18  11 o 60.930  2.0370 183.456  12.250  170.792  21.562  189.493  14.886  58.579  3.7487 61.907  2.4362 -3.327217      4.470820  
1 1 1 8   18  12 o 297.195 3.7484 4378.78  109.956 4439.55  155.538 4318.07  155.465 298.588 5.2775 294.439 5.3494 4.149475       7.514550  
1 1 1 8   18  13 o 55.824  1.5946 153.926  8.7861  160.578  10.808  140.963  15.087  57.007  1.9208 53.294  2.8787 3.712978       3.460742  
1 1 1 8   18  14 f 89.400  2.1652 395.073  19.106  387.901  22.859  411.692  34.797  88.552  2.6154 91.100  3.8698 -2.548218      4.670738  
1 1 1 8   18  15 o 11.417  4.6556 2.3943   8.2779  1.1151   11.887  3.5985   11.534  12.994  5.4628 13.534  5.5047 -0.5402775     7.755227  
1 1 1 8   18  16 o 60.181  3.1832 179.911  18.841  180.954  25.584  178.674  27.852  60.189  4.3354 59.732  4.7637 0.4567986      6.441164  
1 1 1 8   18  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   18  18 o 43.928  1.2914 95.299   5.5994  98.633   7.8945  91.924   7.9432  44.675  1.7903 43.126  1.8660 1.548836       2.585974  
1 1 1 8   18  19 o 100.101 2.0966 495.528  20.715  498.412  28.979  492.514  29.623  100.295 2.9273 99.688  3.0106 0.6066513      4.199172  
1 1 1 8   18  20 o 64.385  1.7217 204.907  10.942  194.239  15.324  216.002  15.629  62.635  2.4787 66.058  2.3970 -3.422623      3.448093  
1 1 1 8   18  21 o 98.737  2.2384 482.613  21.815  472.125  30.574  493.491  31.136  97.506  3.1768 99.690  3.1643 -2.184280      4.483816  
1 1 1 8   18  22 o 43.754  1.9035 94.734   8.2205  106.004  18.414  91.928   9.1868  45.883  4.1094 43.030  2.1700 2.853157       4.647140  
1 1 1 8   18  23 o 7.8794  2.8501 2.5545   2.8478  17.340   18.767  2.2060   2.8812  19.979  7.3026 7.6479  2.8496 12.33092       7.838905  
1 1 1 8   18  24 o 55.377  8.1907 164.889  43.419  183.595  74.561  155.291  53.408  54.685  13.810 52.262  10.713 2.422798       17.47868  
1 1 1 8   18  25 o 46.915  3.0020 110.241  13.829  110.154  19.317  110.333  19.806  46.558  4.2503 46.561  4.3603 -0.3089905E-02 6.089149  
1 1 1 8   18  26 o 35.203  1.6239 61.373   5.6426  66.430   7.9161  56.149   8.0453  36.506  2.2073 33.510  2.4493 2.995464       3.297192  
1 1 1 8   18  27 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   19  0  o 124.839 6.4627 789.604  79.361  780.647  112.190 798.575  112.276 122.413 9.3561 123.892 9.2481 -1.478874      13.15539  
1 1 1 8   19  1  o 28.837  2.5055 41.477   7.0605  46.476   10.041  36.588   9.9299  30.413  3.4034 26.860  3.8560 3.552498       5.143137  
1 1 1 8   19  2  o 130.049 1.8505 835.947  23.754  859.910  34.025  813.166  33.177  131.800 2.6155 128.166 2.6225 3.633408       3.703866  
1 1 1 8   19  3  o 44.643  1.9070 98.502   8.4030  89.995   11.448  108.440  12.373  42.551  2.7403 46.730  2.6940 -4.178707      3.842753  
1 1 1 8   19  4  o 75.407  2.3511 281.204  17.499  281.204  17.499  0.0000   0.0000  75.407  2.3511 ?       ?      0.000000       2.351093  
1 1 1 8   19  5  o 26.229  3.2092 34.580   8.1350  31.341   11.227  38.162   11.804  24.688  4.7799 27.352  4.5310 -2.664465      6.586111  
1 1 1 8   19  6  o 98.354  1.6737 477.876  16.248  475.388  23.105  480.311  22.854  98.048  2.3875 98.558  2.3493 -0.5095215     3.349504  
1 1 1 8   19  7  o 132.202 6.4312 874.826  83.920  892.844  118.898 856.938  118.466 132.317 9.1602 129.540 9.3276 2.777008       13.07337  
1 1 1 8   19  8  o 135.305 2.0741 904.840  27.700  896.611  40.410  912.134  38.044  134.574 3.0423 135.762 2.8391 -1.187637      4.161209  
1 1 1 8   19  9  o 63.013  1.8716 196.194  11.640  198.058  16.543  194.367  16.382  63.273  2.6489 62.681  2.6478 0.5923882      3.745366  
1 1 1 8   19  10 o 165.103 2.3881 1347.95  38.917  1330.15  57.272  1363.21  53.044  163.815 3.5421 165.897 3.2394 -2.082184      4.799982  
1 1 1 8   19  11 o 62.561  2.0098 193.433  12.410  200.308  17.669  186.739  17.436  63.619  2.8138 61.423  2.8759 2.196415       4.023427  
1 1 1 8   19  12 o 86.820  1.8522 372.461  15.872  390.456  22.387  354.275  22.506  88.843  2.5530 84.615  2.6948 4.227661       3.712058  
1 1 1 8   19  13 o 72.016  1.7917 256.263  12.736  250.303  17.817  262.490  18.212  71.131  2.5376 72.843  2.5330 -1.711479      3.585494  
1 1 1 8   19  14 o 71.887  1.6385 255.301  11.626  258.133  18.486  253.447  14.953  72.228  2.5930 71.601  2.1159 0.6276016      3.346756  
1 1 1 8   19  15 o 71.637  2.9737 254.174  21.027  237.793  27.817  276.010  32.116  69.061  4.0991 74.368  4.3948 -5.306885      6.009754  
1 1 1 8   19  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   19  17 o 117.274 2.1670 680.191  25.084  674.999  34.538  685.987  36.491  116.712 2.9981 117.635 3.1428 -0.9225082     4.343496  
1 1 1 8   19  18 o 58.525  2.6400 169.622  15.251  161.072  21.370  178.495  21.771  56.797  3.8344 59.825  3.7051 -3.028008      5.331996  
1 1 1 8   19  19 o 23.821  1.7029 28.192   3.9775  17.081   17.715  28.782   4.0818  19.818  7.1162 24.068  1.7297 -4.249886      7.323381  
1 1 1 8   19  20 o 83.743  2.2835 347.237  18.875  338.698  26.286  356.328  27.121  82.573  3.2252 84.692  3.2443 -2.118477      4.574651  
1 1 1 8   19  21 o 11.163  4.7627 -0.0141  9.2607  0.8467   12.573  -1.0352  13.692  13.190  5.5854 13.276  5.7296 -0.8595181E-01 8.001565  
1 1 1 8   19  22 o 57.969  2.5848 166.821  14.790  162.342  20.561  171.622  21.290  56.901  3.6807 58.505  3.7060 -1.603508      5.223180  
1 1 1 8   19  23 o 86.283  6.5814 386.117  55.627  388.104  77.538  384.010  79.850  84.393  9.4720 83.619  9.8645 0.7739105      13.67579  
1 1 1 8   19  24 o 53.267  1.7177 140.530  9.0311  132.302  12.220  150.433  13.406  51.596  2.3995 55.007  2.4692 -3.410686      3.443027  
1 1 1 8   19  25 o 35.181  2.0438 61.627   7.0666  110.503  39.451  60.007   7.1828  44.189  9.3375 34.705  2.1068 9.484085       9.572253  
1 1 1 8   19  26 o 42.569  1.4893 89.723   6.2575  84.263   8.8193  95.260   8.8799  41.120  2.1807 43.798  2.0541 -2.678162      2.995808  
1 1 1 8   20  0  o 81.827  1.4542 330.970  11.745  317.043  17.016  343.641  16.231  80.011  2.1547 83.323  1.9735 -3.312004      2.921887  
1 1 1 8   20  1  o 53.522  1.7357 141.665  9.1696  141.314  13.679  141.951  12.357  53.388  2.5957 53.532  2.3387 -0.1432533     3.493925  
1 1 1 8   20  2  o 58.606  1.6596 169.786  9.6002  183.915  14.200  157.892  13.029  60.944  2.3606 56.470  2.3375 4.474224       3.322133  
1 1 1 8   20  3  o 45.100  1.8675 100.571  8.3134  105.244  12.772  97.136   10.951  45.995  2.8269 44.218  2.5196 1.776615       3.786759  
1 1 1 8   20  4  o 39.574  2.1634 77.695   8.4183  75.432   12.306  79.685   11.541  38.864  3.2375 39.991  2.9446 -1.127235      4.376267  
1 1 1 8   20  5  o 124.965 2.1633 772.313  26.683  782.459  33.201  753.806  44.840  125.714 2.6757 123.213 3.6870 2.500504       4.555608  
1 1 1 8   20  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   20  7  o 118.746 1.8712 696.898  21.932  672.409  31.307  720.499  30.734  116.548 2.7215 120.662 2.5806 -4.114220      3.750452  
1 1 1 8   20  8  o 123.442 1.9988 753.229  24.354  728.453  33.942  779.521  34.965  121.296 2.8351 125.477 2.8231 -4.181419      4.000956  
1 1 1 8   20  9  o 16.224  4.9698 13.136   8.7083  17.439   11.656  7.7008   13.101  18.680  5.7544 15.489  6.0031 3.190936       8.315686  
1 1 1 8   20  10 o 27.861  3.6597 39.169   9.8207  38.281   13.104  40.306   14.834  27.288  5.0511 27.923  5.5773 -0.6354904     7.524662  
1 1 1 8   20  11 o 138.149 2.1238 943.628  28.960  933.078  40.364  954.821  41.574  137.252 2.9795 138.833 3.0339 -1.580750      4.252283  
1 1 1 8   20  12 o 189.175 2.8578 1772.20  53.361  1691.35  77.950  1843.49  73.202  184.419 4.2823 192.675 3.8492 -8.256561      5.757978  
1 1 1 8   20  13 o 123.664 2.1675 756.251  26.456  727.417  35.804  790.928  39.265  121.172 2.9936 126.325 3.1491 -5.153259      4.344933  
1 1 1 8   20  14 o 23.138  8.3424 23.240   24.371  21.751   35.131  24.621   33.836  25.219  9.8147 25.500  9.7073 -0.2812290     13.80434  
1 1 1 8   20  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   20  16 o 62.462  1.6404 192.803  10.114  188.599  14.146  197.197  14.464  61.735  2.3215 63.127  2.3214 -1.391697      3.283056  
1 1 1 8   20  17 o 132.536 2.2958 869.358  30.033  845.771  41.994  894.055  42.970  130.538 3.2592 134.216 3.2436 -3.678055      4.598187  
1 1 1 8   20  18 f 118.756 2.2437 698.082  26.299  679.088  37.218  717.025  37.168  116.944 3.2243 120.187 3.1332 -3.242661      4.495884  
1 1 1 8   20  19 o 66.318  2.3564 217.861  15.424  200.942  21.420  236.084  22.230  63.469  3.4319 68.918  3.2679 -5.449390      4.738893  
1 1 1 8   20  20 o 36.290  3.5981 66.269   12.719  71.514   17.682  60.646   18.307  37.420  4.9056 34.227  5.6137 3.192581       7.455147  
1 1 1 8   20  21 o 37.104  1.3882 68.061   5.0838  68.426   7.1177  67.680   7.2637  37.121  1.9494 36.912  2.0012 0.2095833      2.793728  
1 1 1 8   20  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   20  23 o 25.883  5.5369 35.512   13.718  43.485   19.649  27.931   19.160  28.295  7.0587 23.111  7.4139 5.184246       10.23675  
1 1 1 8   20  24 o 26.709  1.3930 35.395   3.6596  35.451   5.0082  35.332   5.3607  26.667  1.9155 26.601  2.0576 0.6564140E-01  2.811207  
1 1 1 8   20  25 o 48.027  1.8152 114.392  8.6050  111.154  17.462  115.430  9.8890  46.812  3.8124 48.209  2.0782 -1.396374      4.342098  
1 1 1 8   20  26 o 15.267  5.9763 8.1210   13.084  3.0496   15.334  21.695   25.087  14.745  6.2020 21.962  8.3591 -7.217006      10.40857  
1 1 1 8   21  0  o 26.600  2.8261 35.554   7.3065  34.019   11.678  36.542   9.3664  25.602  4.7974 26.820  3.6316 -1.217705      6.016923  
1 1 1 8   21  1  o 97.917  1.6141 474.227  15.600  496.756  22.784  454.342  21.404  100.100 2.3060 95.739  2.2651 4.361046       3.232370  
1 1 1 8   21  2  o 41.626  2.1221 86.042   8.6901  74.509   13.032  95.277   11.661  38.519  3.4648 43.726  2.7153 -5.206985      4.402017  
1 1 1 8   21  3  o 64.685  1.6192 206.890  10.338  211.309  15.684  203.495  13.747  65.293  2.4336 64.103  2.1727 1.190590       3.262336  
1 1 1 8   21  4  o 42.615  2.3897 90.242   10.011  102.712  13.202  73.370   15.357  45.394  2.9627 38.124  4.1479 7.269737       5.097305  
1 1 1 8   21  5  o 51.988  6.5911 138.873  33.062  146.701  46.814  131.085  46.700  52.467  9.3842 49.324  9.9357 3.143005       13.66680  
1 1 1 8   21  6  o 65.364  2.4264 211.553  15.654  223.610  22.077  199.361  22.201  67.103  3.3331 63.233  3.5716 3.870369       4.885338  
1 1 1 8   21  7  o 42.602  2.4629 90.156   10.312  86.946   14.369  93.565   14.809  41.691  3.5249 43.263  3.4978 -1.572689      4.965826  
1 1 1 8   21  8  o 61.401  2.2089 186.525  13.387  182.999  21.277  188.835  17.224  60.594  3.5734 61.732  2.8267 -1.137970      4.556225  
1 1 1 8   21  9  o 69.054  1.9917 235.796  13.575  219.401  18.235  256.180  20.332  66.548  2.7760 71.901  2.8650 -5.353043      3.989285  
1 1 1 8   21  10 o 67.500  2.0504 225.327  13.661  215.115  18.376  237.945  20.425  65.891  2.8254 69.284  2.9868 -3.392494      4.111419  
1 1 1 8   21  11 o 33.450  3.6252 56.220   11.778  56.331   15.566  56.072   18.013  33.246  4.8896 32.984  5.7415 0.2627640      7.541367  
1 1 1 8   21  12 o 63.174  2.3112 197.495  14.412  211.161  19.219  179.937  21.784  65.265  2.9834 60.064  3.6924 5.200535       4.747031  
1 1 1 8   21  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   21  14 o 22.476  7.3745 24.790   18.897  34.052   28.260  17.299   25.415  26.518  9.0244 21.862  8.3914 4.656593       12.32300  
1 1 1 8   21  15 o 10.145  2.1465 5.2855   2.0823  -0.0824  13.536  5.4157   2.1074  13.466  5.7519 10.271  2.1478 3.195212       6.139849  
1 1 1 8   21  16 o 40.801  1.3624 82.251   5.4865  92.127   39.668  82.059   5.5398  41.220  9.8788 40.753  1.3772 0.4673958      9.974346  
1 1 1 8   21  17 o 35.142  0.8849 60.978   3.0693  60.122   4.3073  61.862   4.3748  34.885  1.2509 35.386  1.2525 -0.5011826     1.770223  
1 1 1 8   21  18 o 78.844  2.2113 307.904  17.209  314.383  24.570  301.665  24.110  79.524  3.1302 77.898  3.1358 1.626076       4.430747  
1 1 1 8   21  19 o 63.994  1.5594 202.522  9.8497  197.049  13.947  207.969  13.912  63.055  2.2409 64.787  2.1756 -1.731388      3.123296  
1 1 1 8   21  20 o 4.6949  2.1191 -1.1261  2.0853  6.4112   2.7277  -11.7263 3.2348  11.144  2.5368 3.5642  1.8069 7.579592       3.114522  
1 1 1 8   21  21 o 37.578  8.3491 77.592   30.163  96.499   52.534  68.293   36.841  40.369  12.173 34.741  10.124 5.627491       15.83276  
1 1 1 8   21  22 o 62.664  3.1218 196.206  19.309  185.183  28.534  205.518  26.226  60.184  4.8443 63.691  4.1952 -3.507114      6.408352  
1 1 1 8   21  23 o 11.194  1.9398 6.3930   2.0655  -4.0575  12.494  6.6866   2.0943  11.849  5.2799 11.457  1.9199 0.3918629      5.618069  
1 1 1 8   21  24 o 51.034  3.0230 130.758  15.159  127.319  21.329  134.269  21.550  49.895  4.3751 51.279  4.2973 -1.383484      6.132561  
1 1 1 8   21  25 o 75.960  2.6745 288.184  20.052  283.790  28.359  292.578  28.358  74.809  3.8537 76.088  3.7759 -1.278694      5.395224  
1 1 1 8   22  0  o 33.478  2.4946 55.979   8.1840  61.843   13.760  52.768   10.181  34.870  4.0747 32.365  3.2299 2.504623       5.199582  
1 1 1 8   22  1  o 44.012  1.9131 95.946   8.3111  105.322  13.709  90.498   10.451  45.888  3.0440 42.619  2.4952 3.268822       3.936005  
1 1 1 8   22  2  o 50.690  1.7109 127.168  8.5602  130.938  14.207  125.019  10.726  51.237  2.8201 50.218  2.1639 1.018860       3.554645  
1 1 1 8   22  3  f 97.887  1.7646 474.260  17.049  480.207  24.721  468.866  23.545  98.343  2.5467 97.196  2.4542 1.147255       3.536806  
1 1 1 8   22  4  o 55.712  9.5020 168.914  50.377  168.914  50.377  0.0000   0.0000  55.712  9.5020 ?       ?      0.000000       9.501960  
1 1 1 8   22  5  f 78.542  3.0547 306.792  23.681  312.058  25.320  270.031  66.896  79.175  3.2400 70.672  9.8584 8.502815       10.37721  
1 1 1 8   22  6  o 61.802  2.0570 189.108  12.548  172.523  16.496  211.880  19.330  58.944  2.8354 65.299  2.9991 -6.354527      4.127227  
1 1 1 8   22  7  o 12.066  4.7007 4.5442   8.0651  -0.4851  11.232  9.8976   11.588  12.150  5.2159 15.586  5.7321 -3.435763      7.749987  
1 1 1 8   22  8  o 22.642  4.2713 26.431   9.1956  27.499   12.889  25.323   13.124  22.909  5.7180 22.013  5.9141 0.8961124      8.226272  
1 1 1 8   22  9  o 85.782  1.9244 364.048  16.294  343.599  22.719  385.705  23.380  83.230  2.7655 88.195  2.6858 -4.964905      3.855107  
1 1 1 8   22  10 o 82.209  1.9986 334.404  16.218  316.668  22.517  353.520  23.377  79.892  2.8555 84.421  2.8055 -4.528549      4.003072  
1 1 1 8   22  11 o 89.503  1.8247 396.196  16.120  383.109  22.321  410.464  23.305  87.919  2.5722 91.000  2.5947 -3.081383      3.653533  
1 1 1 8   22  12 o 62.571  6.5495 200.587  39.850  179.386  56.518  221.547  56.197  57.615  10.317 64.777  9.0353 -7.161709      13.71437  
1 1 1 8   22  13 o 85.326  6.3775 370.970  53.323  370.732  75.689  371.204  75.135  83.854  9.3016 83.954  9.2188 -0.1009140     13.09598  
1 1 1 8   22  14 o 31.042  0.9931 47.588   3.0429  51.144   3.7653  40.893   5.1663  32.176  1.1856 28.694  1.8337 3.482319       2.183618  
1 1 1 8   22  15 o 18.523  5.4208 17.630   10.542  10.394   14.662  25.375   15.169  16.800  6.3913 22.123  6.5105 -5.322865      9.123332  
1 1 1 8   22  16 o 70.927  2.2366 249.256  15.658  241.392  21.805  257.629  22.500  69.661  3.1712 71.966  3.1675 -2.305321      4.482161  
1 1 1 8   22  17 o 57.735  3.4529 166.775  19.587  219.302  55.678  159.357  20.924  63.931  9.0785 56.355  3.7836 7.576073       9.835357  
1 1 1 8   22  18 o 33.362  1.4708 55.044   4.8433  54.272   6.8396  55.820   6.8593  33.026  2.1092 33.498  2.0849 -0.4724045     2.965749  
1 1 1 8   22  19 o 47.559  1.8405 112.033  8.6398  112.178  16.418  111.978  10.160  47.232  3.5476 47.515  2.1665 -0.2830353     4.156836  
1 1 1 8   22  20 o 23.122  7.4786 27.831   19.466  29.036   28.732  26.809   26.465  24.693  9.0343 23.804  8.6764 0.8883877      12.52591  
1 1 1 8   22  21 o 54.572  5.1721 153.510  27.527  0.0000   0.0000  153.510  27.527  ?       ?      54.572  5.1721 0.000000       5.172075  
1 1 1 8   22  22 o 15.875  1.8030 12.657   2.7750  5.5193   3.5493  23.880   4.4508  10.460  3.1663 21.828  2.0914 -11.36770      3.794682  
1 1 1 8   22  23 o 25.672  5.3585 35.147   13.139  34.059   19.278  36.091   17.956  24.905  7.3425 25.627  6.9315 -0.7211628     10.09737  
1 1 1 8   22  24 o 57.474  2.2458 164.456  12.740  159.682  13.533  201.679  37.788  56.594  2.4226 61.577  6.3063 -4.982967      6.755589  
1 1 1 8   22  25 o 14.303  1.9293 10.350   2.6542  6.1405   3.4830  16.180   4.0991  10.909  3.0927 17.854  2.3857 -6.945162      3.905914  
1 1 1 8   23  2  o 30.794  2.5780 47.478   7.7638  45.081   13.410  48.686   9.5218  29.497  4.7687 31.079  3.1473 -1.582657      5.713705  
1 1 1 8   23  3  o 86.938  6.4004 391.525  54.536  361.498  76.946  421.835  77.308  81.014  9.8234 88.290  8.9969 -7.275726      13.32079  
1 1 1 8   23  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   23  5  o 35.552  2.7936 63.269   9.7240  65.989   16.541  61.833   12.020  35.839  4.7962 34.996  3.5280 0.8430061      5.954004  
1 1 1 8   23  6  o 19.941  4.7789 20.863   9.2832  21.405   12.504  20.198   13.857  20.247  5.8975 19.905  6.2965 0.3415546      8.627019  
1 1 1 8   23  7  o 17.023  4.9587 14.946   8.8396  12.231   12.614  17.567   12.391  16.686  6.0036 18.675  5.9590 -1.989252      8.458857  
1 1 1 8   23  8  o 17.642  4.8666 16.189   8.7500  22.643   12.777  10.489   12.008  20.805  5.9323 15.885  5.8360 4.920053       8.321727  
1 1 1 8   23  9  o 63.381  1.7931 198.832  11.217  208.544  18.250  192.935  14.221  64.767  2.8547 62.375  2.3099 2.392220       3.672196  
1 1 1 8   23  10 o 55.796  1.5188 153.952  8.3644  155.024  11.709  152.835  11.953  55.936  2.1208 55.533  2.1807 0.4025879      3.041874  
1 1 1 8   23  11 f 23.121  7.3231 27.439   18.740  21.234   25.782  34.389   27.285  22.612  8.5046 26.145  8.8675 -3.532543      12.28666  
1 1 1 8   23  12 o 61.072  6.5357 192.872  38.786  181.842  54.665  204.053  55.040  57.616  9.9736 61.439  9.3729 -3.823284      13.68664  
1 1 1 8   23  13 o 50.909  2.5283 128.638  12.705  126.470  16.891  131.464  19.279  50.246  3.4263 51.135  3.8479 -0.8894157     5.152240  
1 1 1 8   23  14 o 13.809  1.3914 9.5236   1.8707  19.780   2.7097  0.1832   2.5859  19.954  1.3844 6.0399  2.5440 13.91424       2.896279  
1 1 1 8   23  15 o 34.861  4.0275 61.693   13.603  56.222   17.976  69.024   20.809  32.787  5.7652 36.332  6.0130 -3.545105      8.330277  
1 1 1 8   23  16 o 50.926  1.4440 128.267  7.2584  125.154  10.284  131.358  10.246  50.246  2.0736 51.482  2.0164 -1.236488      2.892297  
1 1 1 8   23  17 o 51.275  1.9240 130.295  9.7374  127.615  19.767  131.154  11.189  50.243  4.0196 51.410  2.2050 -1.167408      4.584713  
1 1 1 8   23  18 o 40.712  4.5540 84.847   17.986  91.059   38.917  83.160   20.282  39.875  9.9267 40.065  5.2556 -0.1905098     11.23213  
1 1 1 8   23  19 o 86.556  7.6493 401.368  64.679  410.227  112.362 396.979  79.098  79.684  14.832 84.137  9.7024 -4.452209      17.72340  
1 1 1 8   23  20 o 49.827  1.4832 122.926  7.2943  128.853  10.344  117.063  10.288  50.938  2.0573 48.538  2.1474 2.399837       2.973884  
1 1 1 8   23  21 o 58.060  1.4791 166.943  8.4762  162.612  10.395  175.535  14.641  57.247  1.8397 59.343  2.4996 -2.096264      3.103688  
1 1 1 8   23  22 o 56.204  3.4356 159.574  18.968  145.038  22.207  198.787  36.474  53.242  4.2614 61.310  6.1086 -8.067192      7.448074  
1 1 1 8   23  23 o 48.278  3.1666 117.617  15.006  122.488  21.384  112.891  21.063  48.739  4.4957 46.716  4.6288 2.023182       6.452693  
1 1 1 8   23  24 o 28.847  1.4597 41.352   4.1428  41.815   5.6916  40.831   6.0417  28.921  2.0062 28.548  2.1601 0.3730774      2.948003  
1 1 1 8   24  4  o 47.440  2.0012 111.640  9.3708  112.047  13.760  111.288  12.797  47.293  2.9627 47.178  2.7601 0.1149483      4.049156  
1 1 1 8   24  5  o 13.418  4.5304 8.5543   7.1217  6.6026   10.958  9.9813   9.3703  14.063  5.4792 14.776  5.1888 -0.7126150     7.546242  
1 1 1 8   24  6  o 19.789  5.2547 20.681   10.436  29.748   16.196  14.244   13.647  23.574  6.6643 17.606  6.2539 5.967848       9.139171  
1 1 1 8   24  7  o 56.237  2.1555 156.964  11.965  166.311  18.995  150.817  15.405  57.562  3.3578 54.937  2.8508 2.624966       4.404745  
1 1 1 8   24  8  o 50.909  2.4629 128.847  12.376  142.061  20.013  120.666  15.748  53.046  3.8485 49.025  3.2732 4.021523       5.052154  
1 1 1 8   24  9  o 52.736  2.9568 139.109  15.329  155.006  17.719  91.834   30.556  55.603  3.2427 41.104  7.8173 14.49936       8.463154  
1 1 1 8   24  10 o 72.411  9.5699 290.021  66.722  290.021  66.722  0.0000   0.0000  72.411  9.5699 ?       ?      0.000000       9.569878  
1 1 1 8   24  11 o 17.221  5.9861 13.956   12.456  23.518   16.853  2.4427   18.492  21.423  6.9610 16.002  6.7749 5.421686       9.713627  
1 1 1 8   24  12 o 7.5025  2.5713 2.5586   2.2944  10.569   13.816  2.3315   2.3267  16.430  6.2154 7.3262  2.5844 9.103797       6.731294  
1 1 1 8   24  13 o 20.423  5.5071 22.062   11.355  20.977   15.165  23.446   17.131  20.299  6.6037 21.422  7.0210 -1.122589      9.638646  
1 1 1 8   24  14 o 29.547  2.0565 43.519   5.9603  42.068   6.1363  67.739   25.069  29.033  2.1567 35.285  7.4326 -6.251419      7.739188  
1 1 1 8   24  15 o 12.277  2.6173 7.7869   3.0748  10.563   13.416  7.6330   3.1589  16.265  6.1314 12.144  2.7047 4.121265       6.701481  
1 1 1 8   24  16 o 62.512  2.5114 194.515  15.496  179.612  21.760  209.847  22.071  59.660  3.7137 64.589  3.4748 -4.928982      5.085826  
1 1 1 8   24  17 o 30.458  3.9905 47.575   11.708  46.705   16.593  48.437   16.524  29.569  5.8920 30.171  5.7585 -0.6021538     8.238700  
1 1 1 8   24  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   24  19 o 16.510  7.7082 -22.4808 30.990  -22.4808 30.990  0.0000   0.0000  16.510  7.7082 ?       ?      0.000000       7.708178  
1 1 1 8   24  20 o 64.569  2.6080 208.170  16.621  209.400  23.486  206.936  23.526  64.276  3.7178 63.882  3.7475 0.3940353      5.278804  
1 1 1 8   24  21 o 46.043  3.2033 107.070  14.467  104.337  20.516  109.774  20.404  44.867  4.7025 46.104  4.5428 -1.236450      6.538369  
1 1 1 8   24  22 o 4.9224  2.3214 -3.2664  2.9350  -3.5237  2.9582  12.926   23.467  4.8674  2.3060 19.431  7.8703 -14.56360      8.201179  
1 1 1 8   24  23 o 5.7286  2.4757 -0.2818  2.5634  0.2755   3.3148  -1.1109  4.0431  6.8175  2.8764 6.8905  3.0403 -0.7304096E-01 4.185312  
1 1 1 8   25  6  o 37.880  2.4256 71.716   9.0215  73.291   14.338  70.684   11.607  37.929  3.8846 37.438  3.1708 0.4908447      5.014423  
1 1 1 8   25  7  o 64.367  1.9877 205.637  12.628  225.998  19.226  190.184  16.748  67.265  2.8957 61.742  2.7483 5.522945       3.992258  
1 1 1 8   25  8  o 50.043  2.3620 124.573  11.667  125.736  17.269  123.596  15.824  49.916  3.5277 49.570  3.2522 0.3464279      4.798096  
1 1 1 8   25  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   25  10 o 14.680  6.2272 1.9136   15.671  0.4645   17.794  6.9232   33.085  15.219  6.5499 21.121  9.0064 -5.902371      11.13623  
1 1 1 8   25  11 o 44.629  3.3547 100.446  14.669  84.837   30.538  105.127  16.725  39.006  8.1927 45.542  3.7542 -6.536072      9.011881  
1 1 1 8   25  12 o 31.675  1.2517 49.631   3.9134  44.335   5.5668  54.805   5.5024  29.833  1.9004 33.212  1.6840 -3.379066      2.539203  
1 1 1 8   25  13 o 25.245  5.2460 33.858   12.645  26.013   17.568  42.292   18.215  22.176  7.0976 27.822  6.7105 -5.646572      9.767669  
1 1 1 8   25  14 o 20.775  1.2267 21.424   2.5042  19.503   3.6146  23.196   3.4726  19.737  1.8780 21.573  1.6432 -1.835413      2.495404  
1 1 1 8   25  15 o 54.775  2.9812 150.607  16.057  129.131  22.658  172.275  22.759  50.104  4.6340 58.219  3.9845 -8.115051      6.111450  
1 1 1 8   25  16 o 24.774  6.3948 33.523   15.744  31.265   20.807  36.548   24.080  24.013  7.7282 25.746  8.3169 -1.733351      11.35326  
1 1 1 8   25  17 o 42.715  15.011 132.609  78.434  132.609  78.434  0.0000   0.0000  42.715  15.011 ?       ?      0.000000       15.01149  
1 1 1 8   25  18 o 15.016  1.6549 11.316   2.4120  11.368   2.4244  6.2603   23.929  15.050  1.6597 18.302  7.7254 -3.252645      7.901715  
1 1 1 8   25  19 o 11.432  1.4965 6.5866   1.6481  5.0186   2.1119  9.0292   2.6358  9.8458  2.2255 13.318  2.0724 -3.472499      3.040994  
1 1 1 8   25  20 o 15.730  6.9865 -3.4947  21.697  -8.4136  36.839  -0.8820  26.848  19.495  8.8430 17.808  7.8470 1.687349       11.82261  
1 1 1 8   25  21 o 52.487  1.5967 136.715  8.2722  154.277  11.641  118.801  11.757  55.640  2.1197 48.686  2.4545 6.953918       3.243107  
1 1 1 8   25  22 o 41.568  8.2308 101.186  32.576  106.628  45.551  95.489   46.605  40.041  11.126 37.452  11.501 2.588993       16.00213  
1 1 1 8   26  9  f 65.421  1.8954 212.550  12.239  218.054  20.427  209.467  15.287  65.905  3.1401 64.826  2.3891 1.079010       3.945681  
1 1 1 8   26  10 o 24.902  1.6639 30.885   4.0661  34.904   15.923  30.605   4.2055  25.247  6.3853 24.779  1.7304 0.4683590      6.615579  
1 1 1 8   26  11 o 64.148  2.8645 205.968  18.137  201.794  21.434  216.489  34.031  63.208  3.4487 64.431  5.4010 -1.223160      6.408104  
1 1 1 8   26  12 o 19.994  1.6252 19.949   3.1796  20.292   3.2539  12.699   14.961  20.163  1.6494 17.256  6.4808 2.907463       6.687370  
1 1 1 8   26  13 o 55.117  2.6323 151.778  14.320  147.100  20.672  156.094  19.857  53.731  3.9250 55.474  3.6468 -1.743587      5.357700  
1 1 1 8   26  14 o 36.050  1.3051 64.336   4.6439  56.357   18.196  64.892   4.8029  32.355  5.9158 36.202  1.3441 -3.846786      6.066552  
1 1 1 8   26  15 o 54.064  11.095 180.812  57.224  0.0000   0.0000  180.812  57.224  ?       ?      54.064  11.095 0.000000       11.09540  
1 1 1 8   26  16 o 68.974  16.644 368.372  112.010 0.0000   0.0000  368.372  112.010 ?       ?      68.974  16.644 0.000000       16.64377  
1 1 1 8   26  17 f 20.713  1.1541 21.297   2.3501  14.992   4.0985  24.386   2.8685  17.149  2.4944 22.151  1.3180 -5.001806      2.821210  
1 1 1 8   26  18 o 44.301  1.9454 97.644   8.5065  108.922  25.546  96.237   9.0213  45.038  5.8875 43.955  2.0793 1.082649       6.243911  
1 1 1 8   26  19 o 32.050  5.3702 55.196   16.387  67.835   26.095  46.966   21.058  34.165  7.8966 28.579  7.4049 5.585804       10.82534  
1 1 1 8   26  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 8   27  14 o 85.905  6.8888 405.485  57.919  377.883  81.524  433.618  82.303  77.289  10.997 84.209  10.104 -6.919861      14.93356  
1 1 1 8   27  15 o 35.659  8.5156 75.727   29.559  88.445   40.920  61.850   42.745  36.867  10.649 30.965  11.061 5.902489       15.35368  
1 1 1 9   -20 0  f 18.234  5.1667 17.517   9.7232  11.945   12.624  25.644   15.245  16.451  5.9930 21.913  6.5462 -5.462442      8.875211  
1 1 1 9   -20 1  f 77.517  1.8015 297.983  13.784  296.087  19.919  299.725  19.094  77.065  2.6187 77.573  2.4937 -0.5083694     3.616091  
1 1 1 9   -20 2  o 27.786  3.5385 39.421   9.4844  38.124   12.360  41.277   14.791  26.949  4.8238 27.821  5.5804 -0.8720951     7.376328  
1 1 1 9   -19 0  o 22.975  1.0785 26.087   2.4458  28.386   3.4726  23.825   3.4453  23.905  1.4790 21.878  1.6067 2.026562       2.183794  
1 1 1 9   -19 1  f 61.753  2.0205 189.162  12.316  189.510  16.806  188.759  18.100  61.674  2.7607 61.504  2.9815 0.1706238      4.063403  
1 1 1 9   -19 2  o 34.128  1.4043 57.623   4.7304  59.005   4.9779  44.744   15.192  34.531  1.4605 29.135  5.4841 5.396160       5.675198  
1 1 1 9   -19 3  o 31.603  3.1462 50.390   9.6835  46.489   12.598  56.024   15.139  30.034  4.3785 32.895  4.8043 -2.861273      6.500153  
1 1 1 9   -19 4  o 20.735  1.1243 21.317   2.2925  21.317   2.2925  0.0000   0.0000  20.735  1.1243 ?       ?      0.000000       1.124338  
1 1 1 9   -18 0  o 65.411  1.4768 211.609  9.5347  202.911  17.447  215.313  11.385  63.880  2.7670 65.952  1.7490 -2.071934      3.273436  
1 1 1 9   -18 1  o 53.214  1.5540 140.099  8.1624  146.779  15.334  137.458  9.6420  54.232  2.8748 52.683  1.8542 1.549061       3.420955  
1 1 1 9   -18 2  o 38.437  1.2672 73.038   4.8078  79.503   6.7339  66.316   6.8666  40.075  1.7024 36.537  1.9107 3.538212       2.559078  
1 1 1 9   -18 3  o 22.231  4.6395 25.850   9.8515  18.281   13.088  35.743   14.964  19.029  6.1300 25.921  5.9716 -6.892090      8.557829  
1 1 1 9   -18 4  o 78.872  1.6924 307.986  13.175  295.151  17.272  325.844  20.374  77.113  2.2693 80.962  2.5495 -3.849571      3.413175  
1 1 1 9   -18 5  o 63.502  2.6020 200.558  16.309  200.558  16.309  0.0000   0.0000  63.502  2.6020 ?       ?      0.000000       2.601973  
1 1 1 9   -18 6  o 55.062  1.5972 150.085  8.6803  143.733  14.993  153.287  10.646  53.633  2.8422 55.606  1.9397 -1.972313      3.441053  
1 1 1 9   -17 0  o 152.029 2.1829 1144.62  32.756  1141.61  45.241  1147.94  47.488  151.588 3.0237 151.960 3.1661 -0.3716278     4.377973  
1 1 1 9   -17 1  o 28.086  1.5820 39.127   4.3677  39.426   13.367  39.091   4.6214  27.577  5.0985 28.064  1.6760 -0.4872169     5.366918  
1 1 1 9   -17 2  o 21.560  1.2407 23.046   2.6291  27.399   3.5934  18.031   3.8569  23.488  1.5589 18.966  2.0953 4.521460       2.611569  
1 1 1 9   -17 3  o 63.823  1.8256 201.617  11.501  204.841  16.145  198.296  16.386  64.243  2.5462 63.197  2.6270 1.046093       3.658419  
1 1 1 9   -17 4  o 57.500  4.5373 167.283  25.542  0.0000   0.0000  167.283  25.542  ?       ?      57.500  4.5373 0.000000       4.537268  
1 1 1 9   -17 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -17 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -17 7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -17 8  o 61.923  14.838 242.443  89.502  242.443  89.502  0.0000   0.0000  61.923  14.838 ?       ?      0.000000       14.83787  
1 1 1 9   -16 0  o 132.091 2.7087 864.515  35.316  860.181  48.747  869.302  51.234  131.520 3.7551 132.169 3.9273 -0.6484680     5.433652  
1 1 1 9   -16 1  o 71.888  6.6299 263.423  46.513  259.999  65.856  266.831  65.704  70.149  9.7772 71.161  9.5994 -1.011406      13.70186  
1 1 1 9   -16 2  o 41.011  7.6870 88.459   29.974  73.357   42.120  103.953  42.663  36.841  10.851 43.783  10.081 -6.942307      14.81071  
1 1 1 9   -16 3  o 66.819  6.7043 228.792  43.621  246.043  61.726  211.582  61.653  68.148  9.4291 62.699  10.322 5.449707       13.98016  
1 1 1 9   -16 4  o 66.399  7.8888 229.838  50.690  237.850  86.498  225.647  62.558  64.159  14.048 64.715  10.126 -0.5563354     17.31697  
1 1 1 9   -16 5  o 46.659  1.5247 107.636  7.0219  108.523  8.0666  104.862  14.267  46.838  1.7449 45.808  3.1749 1.029171       3.622790  
1 1 1 9   -16 6  o 69.199  1.4985 236.770  10.235  239.862  13.845  233.044  15.198  69.595  2.0155 68.570  2.2456 1.024796       3.017386  
1 1 1 9   -16 7  o 27.547  3.6688 38.550   9.7276  38.472   10.013  39.866   41.073  27.493  3.7904 29.103  10.776 -1.609926      11.42297  
1 1 1 9   -16 8  f 40.400  1.7366 80.777   6.9248  83.930   9.9041  77.761   9.6859  41.051  2.4556 39.502  2.4971 1.549137       3.502187  
1 1 1 9   -16 9  o 64.424  1.6060 205.355  10.212  197.253  14.769  212.779  14.137  63.045  2.3733 65.507  2.1864 -2.461674      3.226932  
1 1 1 9   -15 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -15 1  o 127.054 2.1815 798.318  27.358  759.825  34.846  860.165  44.169  123.862 2.8503 131.690 3.3981 -7.827248      4.435202  
1 1 1 9   -15 2  o 37.545  1.0995 69.607   4.0748  72.082   5.6752  66.974   5.8541  38.198  1.5053 36.817  1.6109 1.381107       2.204753  
1 1 1 9   -15 3  o 142.524 2.1854 1004.79  30.744  984.774  42.410  1026.95  44.631  140.945 3.0485 143.911 3.1420 -2.966858      4.377859  
1 1 1 9   -15 4  o 88.890  1.5270 390.424  13.397  364.007  18.994  416.577  18.899  85.769  2.2436 91.770  2.0864 -6.000946      3.063834  
1 1 1 9   -15 5  o 136.284 1.9477 918.634  26.200  927.635  36.789  909.372  37.321  136.807 2.7245 135.439 2.7917 1.367828       3.900805  
1 1 1 9   -15 6  f 37.053  0.9168 67.794   3.3531  66.566   5.4654  68.535   4.2462  36.699  1.5088 37.249  1.1549 -0.5502281     1.900087  
1 1 1 9   -15 7  o 87.734  1.5274 380.516  13.227  388.619  18.735  372.464  18.677  88.590  2.1426 86.724  2.1819 1.866318       3.058006  
1 1 1 9   -15 8  o 37.228  1.1943 68.477   4.3885  70.147   5.9107  66.425   6.5510  37.663  1.5900 36.639  1.8115 1.023903       2.410303  
1 1 1 9   -15 9  o 60.703  1.3728 182.145  8.2251  198.014  10.928  161.406  12.493  63.260  1.7501 57.069  2.2178 6.191387       2.825170  
1 1 1 9   -15 10 o 77.648  1.5164 298.163  11.622  294.776  16.009  301.936  16.898  77.133  2.1028 78.051  2.1934 -0.9176712     3.038548  
1 1 1 9   -15 11 o 60.555  1.5399 181.387  9.2043  189.656  13.253  173.682  12.793  61.850  2.1709 59.186  2.1899 2.664314       3.083539  
1 1 1 9   -14 0  o 68.141  1.4540 229.323  9.7795  224.198  13.646  234.736  14.022  67.350  2.0527 68.914  2.0615 -1.564140      2.909180  
1 1 1 9   -14 1  o 128.844 1.9540 820.402  24.849  793.699  36.210  844.172  34.164  126.626 2.8971 130.622 2.6498 -3.996284      3.926188  
1 1 1 9   -14 2  f 38.861  1.1214 74.565   4.3014  77.227   4.6624  59.348   11.148  39.548  1.1944 34.451  3.3196 5.096714       3.527981  
1 1 1 9   -14 3  o 93.314  1.6497 430.173  15.195  437.602  21.482  422.734  21.495  94.069  2.3136 92.454  2.3555 1.615227       3.301660  
1 1 1 9   -14 4  f 109.551 1.8376 593.088  19.870  590.776  27.457  595.630  28.790  109.269 2.5458 109.704 2.6588 -0.4350815     3.681064  
1 1 1 9   -14 5  o 152.149 2.1152 1144.68  31.765  1108.90  45.978  1177.35  43.937  149.584 3.1141 154.177 2.8872 -4.593033      4.246581  
1 1 1 9   -14 6  o 19.731  3.3846 19.858   6.3543  14.485   8.9159  25.404   9.0585  16.903  4.9961 22.223  4.2851 -5.319502      6.582077  
1 1 1 9   -14 7  o 54.440  1.3818 146.415  7.4248  150.938  9.5614  139.545  11.784  55.257  1.7531 53.102  2.2483 2.154797       2.851006  
1 1 1 9   -14 8  o 24.928  1.5262 30.827   3.7371  42.125   9.1870  28.586   4.0909  28.938  3.2740 23.982  1.7401 4.956066       3.707688  
1 1 1 9   -14 9  o 37.558  1.1141 69.678   4.1300  68.871   5.8358  70.487   5.8456  37.323  1.5841 37.759  1.5685 -0.4358902     2.229236  
1 1 1 9   -14 10 o 114.004 2.0688 643.570  23.280  648.098  28.918  635.232  39.242  114.303 2.5632 112.907 3.5213 1.395699       4.355360  
1 1 1 9   -14 11 o 44.064  1.6645 96.040   7.2394  90.217   9.5786  103.797  11.056  42.604  2.2862 45.683  2.4609 -3.078392      3.358983  
1 1 1 9   -14 12 o 104.014 1.7417 535.359  17.881  542.440  24.611  527.442  26.024  104.578 2.3842 103.083 2.5577 1.494614       3.496610  
1 1 1 9   -13 0  o 111.018 1.8951 608.944  20.766  590.028  29.370  627.854  29.365  109.215 2.7245 112.670 2.6406 -3.454369      3.794118  
1 1 1 9   -13 1  o 85.052  1.4771 357.250  12.401  376.252  17.537  338.249  17.537  87.258  2.0362 82.728  2.1477 4.529999       2.959493  
1 1 1 9   -13 2  o 224.002 3.3478 2485.06  74.019  2517.14  88.325  2409.38  135.660 225.282 3.9722 219.604 6.2586 5.677673       7.412691  
1 1 1 9   -13 3  f 142.355 2.3563 1001.89  33.108  997.853  55.496  1004.12  41.254  141.837 3.9640 142.443 2.9342 -0.6063232     4.931860  
1 1 1 9   -13 4  o 95.323  1.6650 448.840  15.666  443.700  21.882  454.245  22.438  94.733  2.3402 95.850  2.3717 -1.116676      3.331877  
1 1 1 9   -13 5  o 121.754 2.2785 732.902  27.382  786.547  51.788  712.085  32.261  125.867 4.1686 119.966 2.7245 5.900650       4.979948  
1 1 1 9   -13 6  o 35.083  0.8547 60.758   2.9596  63.254   4.1831  58.256   4.1878  35.792  1.1841 34.348  1.2353 1.443981       1.711122  
1 1 1 9   -13 7  o 37.506  1.4278 69.480   5.2855  72.189   6.1426  61.754   10.374  38.225  1.6281 35.180  3.0167 3.044849       3.427947  
1 1 1 9   -13 8  o 145.192 2.0343 1042.39  29.153  1052.02  41.187  1032.73  41.270  145.723 2.8635 144.374 2.8961 1.348618       4.072728  
1 1 1 9   -13 9  f 125.358 1.9125 777.078  23.663  775.033  32.190  779.483  34.904  125.087 2.6072 125.406 2.8199 -0.3195190     3.840473  
1 1 1 9   -13 10 o 30.243  1.3788 45.194   4.1159  43.205   4.6393  52.548   8.9199  29.521  1.5981 32.429  2.8146 -2.908171      3.236697  
1 1 1 9   -13 11 o 26.606  1.3861 35.078   3.6276  44.297   8.4429  32.991   4.0173  29.729  2.9147 25.783  1.5863 3.946012       3.318396  
1 1 1 9   -13 12 o 65.235  1.4532 210.362  9.3568  212.009  13.551  208.860  12.936  65.434  2.0981 64.954  2.0177 0.4796524      2.910859  
1 1 1 9   -13 13 f 55.019  1.3810 149.623  7.4998  152.383  10.060  146.171  11.252  55.491  1.8368 54.325  2.0984 1.165554       2.788769  
1 1 1 9   -12 0  o 92.851  6.4091 432.356  58.378  429.814  82.215  434.941  82.909  91.814  9.1957 92.357  9.2180 -0.5434189     13.02047  
1 1 1 9   -12 1  o 129.333 1.8941 826.338  24.179  776.684  35.338  870.048  33.156  125.307 2.8571 132.657 2.5322 -7.350243      3.817740  
1 1 1 9   -12 2  o 152.252 2.0919 1145.41  31.437  1180.03  44.501  1110.92  44.416  154.446 2.9191 149.845 3.0031 4.601166       4.188053  
1 1 1 9   -12 3  o 306.824 3.9908 4666.94  120.860 4843.31  171.097 4491.30  170.747 311.912 5.5575 300.266 5.7612 11.64560       8.004804  
1 1 1 9   -12 4  o 131.280 1.8177 851.361  23.554  838.991  32.964  864.263  33.666  130.262 2.5639 132.208 2.5799 -1.945724      3.637209  
1 1 1 9   -12 5  o 125.160 1.8628 773.886  23.013  762.020  32.714  785.511  32.379  124.130 2.6701 126.035 2.6028 -1.905350      3.728805  
1 1 1 9   -12 6  o 97.838  1.5637 472.762  15.100  454.258  21.101  492.183  21.618  95.867  2.2300 99.791  2.1948 -3.924095      3.128940  
1 1 1 9   -12 7  o 47.299  1.5619 110.496  7.2920  105.353  10.325  115.615  10.300  46.164  2.2660 48.364  2.1576 -2.199947      3.128871  
1 1 1 9   -12 8  o 157.017 2.5050 1219.48  38.824  1263.40  49.418  1148.66  62.750  159.718 3.1347 152.084 4.1802 7.633713       5.224957  
1 1 1 9   -12 9  o 28.515  1.3965 40.161   3.9306  43.980   8.4121  39.095   4.4458  29.659  2.9110 28.084  1.6105 1.574972       3.326830  
1 1 1 9   -12 10 o 100.819 1.5940 502.250  15.862  500.638  22.315  503.897  22.553  100.597 2.2474 100.922 2.2640 -0.3251266     3.190071  
1 1 1 9   -12 11 o 40.239  1.0966 79.965   4.3553  76.367   6.1037  83.697   6.2164  39.309  1.5731 41.154  1.5304 -1.844887      2.194706  
1 1 1 9   -12 12 o 38.193  1.5277 72.102   5.7590  67.739   7.9147  77.011   8.3954  36.926  2.1812 39.382  2.1681 -2.455784      3.075459  
1 1 1 9   -12 13 o 25.994  2.1988 33.698   5.5885  39.248   8.3000  29.094   7.5587  27.944  3.0592 23.971  3.2808 3.973047       4.485847  
1 1 1 9   -12 14 o 31.692  1.8616 49.869   5.7976  64.484   8.6576  37.986   7.8063  35.982  2.4523 27.502  2.9204 8.480051       3.813472  
1 1 1 9   -11 0  o 122.387 1.9954 739.971  24.104  730.313  34.108  749.607  34.070  121.522 2.8436 123.120 2.8035 -1.598373      3.993226  
1 1 1 9   -11 1  o 176.500 6.8650 1555.94  119.596 1591.90  169.307 1520.13  168.962 177.227 9.7156 173.072 9.9324 4.155167       13.89403  
1 1 1 9   -11 2  o 108.993 1.6255 586.671  17.487  564.021  24.561  609.956  24.903  106.830 2.3293 111.099 2.2709 -4.268875      3.253100  
1 1 1 9   -11 3  o 216.682 3.0047 2322.51  64.263  2351.24  90.828  2293.70  90.936  217.773 4.2255 215.078 4.2836 2.694794       6.016996  
1 1 1 9   -11 4  o 192.135 2.9429 1825.94  55.810  1869.17  78.934  1782.73  78.922  194.188 4.1182 189.625 4.2167 4.563339       5.894055  
1 1 1 9   -11 5  o 67.243  1.3434 223.254  8.9164  220.159  12.511  226.449  12.711  66.759  1.8987 67.706  1.9020 -0.9469070     2.687469  
1 1 1 9   -11 6  o 104.492 1.5525 539.205  16.012  529.015  22.345  549.962  22.958  103.467 2.1880 105.495 2.2048 -2.027542      3.106155  
1 1 1 9   -11 7  o 105.624 1.6429 551.003  17.128  548.971  24.687  552.889  23.784  105.385 2.3733 105.767 2.2782 -0.3819504     3.289836  
1 1 1 9   -11 8  o 64.468  1.2778 205.211  8.1312  212.519  12.060  199.120  11.010  65.588  1.8629 63.490  1.7569 2.097717       2.560701  
1 1 1 9   -11 9  o 22.944  1.0792 25.991   2.4440  35.734   8.4894  25.110   2.5521  26.661  3.2962 22.522  1.1519 4.138582       3.491685  
1 1 1 9   -11 10 o 136.352 1.9064 918.768  25.657  954.005  36.381  883.903  36.188  138.855 2.6545 133.644 2.7434 5.210770       3.817393  
1 1 1 9   -11 11 o 180.068 3.1849 1607.28  56.607  1618.00  176.195 1606.05  59.776  176.897 10.133 179.952 3.3654 -3.055588      10.67757  
1 1 1 9   -11 12 o 125.791 1.8146 782.254  22.530  791.168  31.849  773.325  31.876  126.399 2.5528 124.961 2.5844 1.438751       3.632607  
1 1 1 9   -11 13 f 29.166  1.2010 42.019   3.4574  32.327   7.4818  44.650   3.8986  25.341  3.0526 30.063  1.3138 -4.721518      3.323351  
1 1 1 9   -11 14 o 73.247  1.4006 265.132  10.126  273.886  14.140  255.916  14.508  74.402  1.9254 71.909  2.0441 2.493660       2.808137  
1 1 1 9   -11 15 o 36.865  1.6952 67.210   6.1683  58.310   8.6304  76.503   8.8193  34.195  2.5759 39.231  2.2875 -5.035988      3.444964  
1 1 1 9   -10 0  o 115.295 1.9265 656.597  21.923  647.226  32.055  664.832  30.050  114.410 2.8386 115.972 2.6252 -1.561577      3.866423  
1 1 1 9   -10 1  o 90.003  1.5007 399.983  13.332  385.363  18.987  414.199  18.723  88.317  2.1782 91.566  2.0716 -3.249527      3.005984  
1 1 1 9   -10 2  o 189.313 4.5615 1777.36  85.236  1777.36  85.236  0.0000   0.0000  189.313 4.5615 ?       ?      0.000000       4.561542  
1 1 1 9   -10 3  o 279.419 3.4308 3863.82  94.619  3857.22  133.778 3870.43  133.846 278.793 4.8615 279.272 4.8556 -0.4788818     6.871049  
1 1 1 9   -10 4  f 64.832  1.3755 207.529  8.8020  201.756  12.068  214.092  12.866  63.911  1.9130 65.833  1.9800 -1.922764      2.753238  
1 1 1 9   -10 5  o 178.404 2.3933 1572.93  42.143  1548.59  57.039  1602.18  62.538  176.913 3.2665 179.911 3.5217 -2.997253      4.803366  
1 1 1 9   -10 6  o 67.346  1.3252 223.932  8.8090  240.501  12.876  209.355  12.078  69.779  1.8695 65.103  1.8795 4.675171       2.650991  
1 1 1 9   -10 7  o 156.775 2.4995 1214.88  38.677  1222.30  54.683  1207.46  54.713  157.132 3.5258 156.172 3.5494 0.9599457      5.002919  
1 1 1 9   -10 8  o 14.330  0.7138 10.136   1.0097  12.854   1.4336  7.4614   1.4222  16.111  0.9052 12.236  1.1928 3.875897       1.497393  
1 1 1 9   -10 9  o 130.376 1.9391 839.746  24.953  819.576  32.837  867.309  38.387  128.750 2.5840 132.411 2.9372 -3.660858      3.912006  
1 1 1 9   -10 10 o 84.393  1.4676 351.716  12.225  338.073  17.299  365.326  17.279  82.711  2.1190 85.985  2.0359 -3.273499      2.938584  
1 1 1 9   -10 11 o 30.585  1.8097 46.378   5.4390  50.218   7.8167  42.773   7.5728  31.766  2.5135 29.286  2.6484 2.480160       3.651303  
1 1 1 9   -10 12 o 107.521 2.3305 571.789  24.733  505.987  94.425  576.637  25.628  98.931  9.7987 107.968 2.4049 -9.036987      10.08953  
1 1 1 9   -10 13 o 16.989  2.7729 14.665   4.4894  14.458   6.5368  14.850   6.1764  16.719  4.0123 16.958  3.7859 -0.2385559     5.516491  
1 1 1 9   -10 14 o 69.915  1.3461 241.491  9.2894  244.790  13.180  238.234  13.094  70.354  1.8980 69.404  1.9115 0.9495163      2.693748  
1 1 1 9   -10 15 o 63.069  1.4465 196.574  9.0045  207.527  11.972  182.308  13.663  64.773  1.8726 60.676  2.2815 4.096596       2.951560  
1 1 1 9   -10 16 o 43.775  1.4729 94.715   6.3640  84.538   8.5358  107.452  9.5494  41.271  2.1023 46.591  2.0765 -5.320015      2.954970  
1 1 1 9   -9  0  o 161.843 2.3568 1294.19  37.648  1298.38  53.136  1289.97  53.350  162.011 3.3229 161.482 3.3472 0.5282288      4.716455  
1 1 1 9   -9  1  o 187.229 3.5548 1734.64  65.694  1745.82  101.195 1726.49  86.367  187.491 5.4682 186.605 4.6891 0.8856201      7.203383  
1 1 1 9   -9  2  o 127.629 7.4345 816.024  93.250  804.881  114.150 838.377  161.678 126.248 9.2243 127.458 13.035 -1.209854      15.96856  
1 1 1 9   -9  3  o 191.951 6.9780 1837.47  132.208 1845.80  186.997 1829.14  186.943 191.122 9.9470 190.236 9.9909 0.8861389      14.09832  
1 1 1 9   -9  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -9  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -9  6  o 217.049 7.2536 2352.48  155.397 2243.83  219.459 2461.73  220.072 210.337 10.605 220.825 10.097 -10.48738      14.64266  
1 1 1 9   -9  7  o 174.889 6.8208 1525.57  117.741 1559.39  166.505 1491.74  166.518 175.649 9.6408 171.689 9.8677 3.959244       13.79548  
1 1 1 9   -9  8  o 106.533 6.3010 567.233  65.962  578.299  93.345  556.195  93.223  106.905 8.9280 104.776 9.1047 2.128654       12.75161  
1 1 1 9   -9  9  o 167.899 6.7538 1406.63  111.925 1335.29  158.133 1478.24  158.439 162.281 9.9200 170.994 9.4239 -8.713043      13.68267  
1 1 1 9   -9  10 o 221.945 7.4087 2465.36  162.301 2472.86  228.392 2457.71  230.682 220.749 10.482 219.989 10.624 0.7596283      14.92444  
1 1 1 9   -9  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -9  12 o 102.068 6.3542 522.672  63.697  525.349  90.351  520.027  89.815  101.465 9.1190 100.948 9.1122 0.5166779      12.89144  
1 1 1 9   -9  13 o 16.355  6.1973 9.6274   13.751  6.7569   20.297  12.062   18.694  17.966  7.3041 18.741  7.1961 -0.7750645     10.25352  
1 1 1 9   -9  14 o 42.310  3.0293 89.172   12.567  70.727   37.212  91.546   13.352  36.423  10.032 42.852  3.1793 -6.429749      10.52335  
1 1 1 9   -9  15 o 54.135  2.8739 145.709  15.302  119.545  46.334  148.912  16.211  47.025  10.270 54.709  3.0137 -7.683884      10.70319  
1 1 1 9   -9  16 o 68.840  1.3855 234.155  9.4138  229.511  13.118  239.086  13.518  68.113  1.9512 69.518  1.9700 -1.404678      2.772730  
1 1 1 9   -9  17 o 63.056  1.4097 196.492  8.7737  205.548  12.482  187.649  12.335  64.452  1.9621 61.577  2.0295 2.875736       2.822889  
1 1 1 9   -8  0  o 156.999 6.5977 1226.19  102.241 1253.80  144.584 1198.56  144.596 157.873 9.3198 154.274 9.5426 3.599274       13.33870  
1 1 1 9   -8  1  o 233.373 7.4553 2715.32  171.731 2808.11  243.059 2622.82  242.669 236.187 10.426 228.109 10.778 8.078537       14.99566  
1 1 1 9   -8  2  f 147.807 6.5269 1086.75  95.221  1099.70  134.686 1073.81  134.641 147.815 9.2785 146.023 9.3914 1.791397       13.20189  
1 1 1 9   -8  3  o 76.253  6.1894 290.921  46.183  301.811  65.344  280.053  65.280  77.170  8.7324 74.216  9.1022 2.954056       12.61372  
1 1 1 9   -8  4  o 213.844 7.2232 2280.05  152.461 2254.60  215.567 2305.52  215.657 211.527 10.325 213.950 10.212 -2.422913      14.52208  
1 1 1 9   -8  5  o 129.505 6.3253 834.445  80.855  763.241  114.034 906.433  114.660 122.898 9.4737 134.226 8.7014 -11.32778      12.86330  
1 1 1 9   -8  6  o 129.259 2.5796 825.708  32.912  806.944  46.681  844.253  46.408  127.688 3.7039 130.617 3.5996 -2.928810      5.164904  
1 1 1 9   -8  7  f 242.453 10.849 2973.49  259.639 2929.50  367.272 3017.45  367.098 237.009 15.790 240.762 15.530 -3.752975      22.14765  
1 1 1 9   -8  8  o 86.200  6.2301 371.674  52.651  387.959  74.619  355.528  74.300  87.522  8.7552 83.648  9.1482 3.873665       12.66265  
1 1 1 9   -8  9  o 74.829  6.1804 280.539  45.240  257.764  63.730  303.672  64.230  71.018  9.3164 77.367  8.5541 -6.349609      12.64787  
1 1 1 9   -8  10 o 106.337 6.2811 565.040  65.633  552.476  92.775  577.629  92.863  104.441 9.0904 106.869 8.8841 -2.428169      12.71069  
1 1 1 9   -8  11 o 67.431  6.3337 228.537  41.661  250.845  58.993  206.344  58.843  70.139  8.7088 63.249  9.7379 6.890369       13.06408  
1 1 1 9   -8  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -8  13 f 20.761  7.0293 20.104   17.145  27.538   24.810  13.309   23.721  24.474  8.4516 20.639  8.0558 3.835253       11.67583  
1 1 1 9   -8  14 o 103.464 6.3410 538.034  64.444  532.758  91.382  543.253  90.894  101.957 9.1789 103.025 9.0296 -1.067963      12.87577  
1 1 1 9   -8  15 o 49.597  6.5617 125.781  31.334  134.951  44.490  116.755  44.138  50.613  9.2464 46.817  9.8630 3.795784       13.51943  
1 1 1 9   -8  16 o 77.773  6.3470 307.025  48.298  298.787  68.322  315.253  68.284  75.511  9.3680 77.725  9.0714 -2.214363      13.04034  
1 1 1 9   -8  17 o 96.930  3.0515 466.339  29.194  386.639  81.182  478.177  31.288  85.572  9.7877 98.119  3.2306 -12.54725      10.30705  
1 1 1 9   -8  18 o 51.411  1.3907 130.611  7.0569  130.347  10.230  130.851  9.7478  51.322  2.0194 51.428  1.9203 -0.1058044     2.786660  
1 1 1 9   -7  0  o 126.524 1.9859 790.536  24.801  784.213  37.166  795.612  33.300  125.968 2.9892 126.899 2.6586 -0.9307480     4.000412  
1 1 1 9   -7  1  o 35.623  0.8286 62.633   2.9136  66.093   4.1203  59.172   4.1204  36.592  1.1408 34.622  1.2057 1.969360       1.659906  
1 1 1 9   -7  2  o 178.843 2.4915 1580.07  43.981  1575.34  62.066  1584.83  62.333  178.488 3.5230 179.024 3.5276 -0.5363464     4.985499  
1 1 1 9   -7  3  o 84.070  1.3900 348.917  11.534  355.620  16.102  341.852  16.531  84.861  1.9224 83.200  2.0129 1.661377       2.783416  
1 1 1 9   -7  4  o 61.190  1.1938 184.827  7.2102  179.790  10.292  189.682  10.104  60.342  1.7280 61.981  1.6516 -1.639259      2.390343  
1 1 1 9   -7  5  o 71.199  1.3603 250.261  9.5597  235.609  13.510  264.952  13.529  69.070  1.9817 73.248  1.8712 -4.177765      2.725567  
1 1 1 9   -7  6  o 89.908  1.4286 399.086  12.678  412.696  17.874  385.307  17.985  91.412  1.9811 88.324  2.0630 3.088127       2.860179  
1 1 1 9   -7  7  o 227.595 3.0823 2561.19  69.242  2528.92  97.733  2593.71  98.115  225.942 4.3824 228.826 4.3441 -2.883774      6.170609  
1 1 1 9   -7  8  o 67.181  1.3044 222.817  8.6494  226.630  12.228  218.999  12.236  67.742  1.8287 66.591  1.8617 1.151062       2.609622  
1 1 1 9   -7  9  o 221.950 2.7630 2435.01  60.531  2500.14  85.620  2369.93  85.587  224.729 3.8600 218.780 3.9634 5.948624       5.532419  
1 1 1 9   -7  10 o 49.714  1.1868 122.009  5.8233  132.078  7.8016  109.341  8.7507  51.720  1.5283 47.052  1.8842 4.667931       2.426090  
1 1 1 9   -7  11 o 96.228  1.4483 457.207  13.756  449.580  19.161  465.320  19.762  95.401  2.0348 97.055  2.0629 -1.654434      2.897621  
1 1 1 9   -7  12 o 75.785  1.7968 283.660  13.440  292.861  19.673  275.606  18.405  76.973  2.5894 74.675  2.4971 2.297813       3.597256  
1 1 1 9   -7  13 o 26.160  8.4618 33.462   24.920  44.165   35.196  22.701   35.290  30.253  10.071 25.666  9.8792 4.587193       14.10752  
1 1 1 9   -7  14 o 69.183  6.2852 240.878  42.451  258.219  60.130  223.645  59.941  71.030  8.7624 65.820  9.5016 5.210281       12.92513  
1 1 1 9   -7  15 f 56.761  6.4020 163.311  35.241  155.452  49.804  171.193  49.872  54.489  9.6116 57.399  9.1069 -2.909603      13.24074  
1 1 1 9   -7  16 o 138.396 6.5610 963.617  89.624  918.639  126.594 1008.81  126.901 133.333 9.6854 140.035 9.2329 -6.701965      13.38109  
1 1 1 9   -7  17 o 48.009  6.6366 118.520  30.608  115.874  43.338  121.153  43.234  46.479  9.7575 47.626  9.5296 -1.147633      13.63901  
1 1 1 9   -7  18 o 119.154 1.9923 702.367  23.431  686.207  39.330  711.258  29.173  117.509 3.3910 119.830 2.4665 -2.320770      4.193130  
1 1 1 9   -7  19 o 74.085  1.4628 271.262  10.697  284.958  15.593  259.088  14.701  75.877  2.0820 72.353  2.0585 3.523865       2.927866  
1 1 1 9   -6  0  o 74.311  1.3218 272.587  9.6951  284.334  13.824  261.217  13.601  75.886  1.8456 72.735  1.8944 3.151009       2.644835  
1 1 1 9   -6  1  o 58.668  1.5515 169.919  8.9843  170.004  15.360  169.876  11.077  58.665  2.6526 58.656  1.9133 0.9197235E-02  3.270626  
1 1 1 9   -6  2  o 36.875  1.5607 67.129   5.6806  58.725   8.0038  75.659   8.0636  34.401  2.3717 39.087  2.0978 -4.685669      3.166289  
1 1 1 9   -6  3  o 55.981  1.1593 154.692  6.4057  161.745  9.0787  147.699  9.0395  57.238  1.6070 54.696  1.6744 2.542564       2.320758  
1 1 1 9   -6  4  o 189.424 2.3923 1772.28  44.728  1754.29  63.166  1790.38  63.346  188.381 3.3971 190.311 3.3723 -1.930344      4.786701  
1 1 1 9   -6  5  o 254.478 4.3611 3205.34  109.543 2916.25  270.943 3261.83  119.768 240.686 11.405 256.645 4.7280 -15.95825      12.34612  
1 1 1 9   -6  6  o 165.250 2.2679 1348.82  36.992  1336.27  50.251  1363.67  54.654  164.419 3.0964 166.075 3.3342 -1.656036      4.550216  
1 1 1 9   -6  7  o 244.320 3.4275 2952.05  82.655  2837.16  123.291 3045.84  111.395 239.191 5.2222 247.975 4.5512 -8.784134      6.927108  
1 1 1 9   -6  8  o 89.912  1.4492 399.126  12.861  401.457  18.510  396.950  17.883  90.155  2.0801 89.650  2.0209 0.5054550      2.900189  
1 1 1 9   -6  9  o 232.048 3.4277 2663.49  78.508  2753.20  100.606 2523.78  125.545 235.765 4.3232 225.442 5.6420 10.32353       7.107911  
1 1 1 9   -6  10 o 172.525 2.4088 1470.65  41.020  1489.09  57.858  1452.02  58.164  173.505 3.3785 171.325 3.4396 2.180313       4.821263  
1 1 1 9   -6  11 o 57.311  1.1456 162.143  6.4805  169.999  9.1337  154.180  9.1963  58.676  1.5771 55.878  1.6674 2.798317       2.295102  
1 1 1 9   -6  12 o 190.495 2.5473 1793.40  47.895  1805.78  64.992  1778.69  70.854  191.040 3.4467 189.552 3.7871 1.488235       5.120700  
1 1 1 9   -6  13 o 117.241 1.7431 678.841  20.171  693.357  27.821  662.754  29.288  118.452 2.3796 115.797 2.5624 2.655655       3.496912  
1 1 1 9   -6  14 o 112.530 9.0470 641.733  99.637  613.110  140.585 670.621  141.233 108.297 13.441 113.600 12.820 -5.302376      18.57445  
1 1 1 9   -6  15 f 124.280 6.5398 773.942  79.941  795.245  113.110 752.683  112.996 125.062 9.2284 121.548 9.4939 3.513367       13.23995  
1 1 1 9   -6  16 o 82.542  6.2656 342.932  50.666  322.690  71.603  363.230  71.701  79.113  9.3505 84.205  8.7550 -5.092247      12.80939  
1 1 1 9   -6  17 o 84.481  6.2999 360.504  52.155  354.220  73.714  366.802  73.802  82.687  9.1873 84.230  9.0171 -1.543251      12.87300  
1 1 1 9   -6  18 f 91.154  2.8299 411.884  25.461  307.897  74.773  425.522  27.080  76.277  10.186 92.632  2.9618 -16.35439      10.60790  
1 1 1 9   -6  19 o 12.259  3.6452 7.5704   4.7353  5.9723   6.7917  9.0822   6.6056  12.085  4.3968 13.631  4.3511 -1.545785      6.185743  
1 1 1 9   -6  20 o 71.211  1.4876 250.638  10.456  267.743  14.829  233.728  14.745  73.551  2.0427 68.708  2.1742 4.843712       2.983243  
1 1 1 9   -5  0  o 28.487  1.0001 40.054   2.8121  45.223   3.9924  34.964   3.9614  30.268  1.3363 26.570  1.5168 3.697798       2.021508  
1 1 1 9   -5  1  o 350.688 5.3167 6088.43  184.034 6036.85  260.239 6140.04  260.286 348.642 7.5624 351.627 7.4996 -2.985382      10.65052  
1 1 1 9   -5  2  o 122.248 1.9043 737.843  22.978  690.321  32.049  788.109  32.961  118.220 2.7466 126.320 2.6436 -8.099907      3.812123  
1 1 1 9   -5  3  o 260.753 3.8453 3361.22  98.968  3366.86  140.095 3355.61  139.828 260.751 5.4433 260.315 5.4421 0.4360962      7.697114  
1 1 1 9   -5  4  o 102.237 1.6042 516.005  16.189  499.298  23.651  530.732  22.206  100.550 2.3831 103.673 2.1701 -3.122864      3.223070  
1 1 1 9   -5  5  o 127.500 2.1304 802.743  26.810  819.304  37.909  786.171  37.922  128.772 2.9825 126.138 3.0459 2.633774       4.262934  
1 1 1 9   -5  6  o 226.804 4.3337 2545.36  97.015  2423.85  230.729 2571.46  106.927 219.876 10.631 227.903 4.7534 -8.026596      11.64566  
1 1 1 9   -5  7  o 209.384 2.7178 2166.13  56.169  2197.46  82.991  2139.66  76.299  210.754 3.9895 207.998 3.7164 2.756546       5.452357  
1 1 1 9   -5  8  f 302.911 3.9057 4539.88  116.775 4525.13  164.997 4554.67  165.294 302.029 5.5347 303.016 5.5266 -0.9863892     7.821503  
1 1 1 9   -5  9  f 114.776 1.7027 650.483  19.289  659.014  28.220  643.003  26.426  115.493 2.4756 114.088 2.3467 1.405212       3.411064  
1 1 1 9   -5  10 o 187.780 2.5727 1742.38  47.684  1713.07  67.544  1771.50  67.329  186.072 3.6776 189.229 3.6048 -3.156250      5.149720  
1 1 1 9   -5  11 o 83.658  1.3641 345.523  11.264  355.319  15.848  335.523  16.012  84.821  1.8930 82.422  1.9682 2.398987       2.730804  
1 1 1 9   -5  12 o 96.769  1.4659 462.348  14.001  454.138  19.871  470.443  19.731  95.885  2.0996 97.593  2.0484 -1.708229      2.933277  
1 1 1 9   -5  13 o 143.751 1.9262 1020.63  27.330  1064.87  38.787  977.003  38.516  146.780 2.6772 140.586 2.7757 6.194061       3.856386  
1 1 1 9   -5  14 o 73.501  1.3348 266.729  9.6835  244.436  13.490  290.427  13.909  70.347  1.9428 76.683  1.8376 -6.336365      2.674216  
1 1 1 9   -5  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -5  16 o 23.581  6.9070 28.336   17.109  34.981   24.346  21.854   24.048  26.483  8.3426 22.824  8.2780 3.658989       11.75264  
1 1 1 9   -5  17 o 81.651  6.3002 335.818  50.383  313.264  71.785  357.715  70.731  77.832  9.5442 83.544  8.7054 -5.711823      12.91808  
1 1 1 9   -5  18 o 81.164  6.3837 333.313  50.728  321.952  71.665  344.721  71.815  78.641  9.4200 81.554  9.0754 -2.912766      13.08053  
1 1 1 9   -5  19 o 42.108  1.8284 87.670   7.5994  93.885   9.9280  78.876   11.810  43.489  2.3213 39.762  3.0319 3.727238       3.818485  
1 1 1 9   -5  20 o 78.674  1.4985 305.886  11.636  302.734  16.475  309.023  16.438  78.213  2.1341 79.024  2.1074 -0.8108597     2.999267  
1 1 1 9   -4  0  o 89.125  1.5670 392.109  13.785  379.189  19.264  405.668  19.734  87.634  2.2271 90.642  2.2057 -3.008553      3.134541  
1 1 1 9   -4  1  o 121.933 1.8412 733.980  22.159  706.253  31.295  761.858  31.380  119.587 2.6513 124.208 2.5596 -4.621284      3.685198  
1 1 1 9   -4  2  o 430.295 5.3270 9162.03  226.247 9165.31  319.893 9158.74  320.029 429.799 7.5406 429.643 7.5466 0.1559143      10.66824  
1 1 1 9   -4  3  o 177.199 2.5492 1550.60  44.587  1559.94  63.984  1541.78  62.165  177.674 3.6485 176.642 3.5655 1.031830       5.101393  
1 1 1 9   -4  4  o 123.541 1.8328 753.486  22.349  730.920  31.395  776.671  31.823  121.656 2.6145 125.407 2.5709 -3.751076      3.666782  
1 1 1 9   -4  5  o 125.426 2.1701 776.783  26.865  784.018  37.993  769.547  37.994  125.977 3.0555 124.808 3.0842 1.169243       4.341415  
1 1 1 9   -4  6  o 131.587 2.1558 855.005  27.999  843.641  41.625  864.396  37.840  130.665 3.2274 132.279 2.8982 -1.613297      4.337708  
1 1 1 9   -4  7  o 107.477 6.0532 574.617  63.953  499.470  90.229  650.481  90.659  99.622  9.2830 114.035 8.1073 -14.41273      12.32490  
1 1 1 9   -4  8  o 119.637 1.6656 706.663  19.669  735.808  27.763  677.294  27.869  122.057 2.3044 117.099 2.4112 4.958061       3.335341  
1 1 1 9   -4  9  o 84.880  1.5210 355.691  12.742  390.000  21.783  337.843  15.711  88.851  2.4838 82.713  1.9244 6.137909       3.142076  
1 1 1 9   -4  10 o 117.196 1.7673 678.214  20.444  701.901  28.781  654.091  29.045  119.195 2.4463 115.058 2.5575 4.136703       3.539142  
1 1 1 9   -4  11 o 118.702 1.8003 695.798  21.093  697.386  32.639  694.659  27.641  118.788 2.7837 118.580 2.3616 0.2086487      3.650525  
1 1 1 9   -4  12 f 173.007 2.4967 1478.94  42.634  1461.62  60.393  1496.14  60.195  171.885 3.5597 173.909 3.5067 -2.024109      4.996874  
1 1 1 9   -4  13 o 116.453 1.6699 669.649  19.194  656.041  28.264  681.298  26.149  115.225 2.4851 117.435 2.2560 -2.209785      3.356362  
1 1 1 9   -4  14 o 183.022 2.4188 1655.17  43.695  1679.51  59.333  1626.32  64.591  184.270 3.2622 181.283 3.6098 2.987045       4.865420  
1 1 1 9   -4  15 o 137.556 1.8915 934.582  25.682  959.101  36.302  910.016  36.337  139.295 2.6403 135.678 2.7133 3.617218       3.785980  
1 1 1 9   -4  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -4  17 o 89.772  6.2550 404.449  55.078  393.522  77.875  415.386  77.910  87.728  9.1271 90.244  8.8609 -2.515869      12.72080  
1 1 1 9   -4  18 o 113.943 6.3946 652.988  71.627  669.188  101.316 636.801  101.274 114.292 9.0552 111.365 9.2984 2.926918       12.97908  
1 1 1 9   -4  19 o 16.950  2.9767 14.657   4.7986  11.420   6.9651  17.581   6.6204  15.014  4.4097 18.480  3.7575 -3.466049      5.793417  
1 1 1 9   -4  20 o 56.094  1.5552 155.502  8.6105  144.406  11.907  167.667  12.467  54.016  2.2332 58.209  2.1699 -4.192638      3.113779  
1 1 1 9   -4  21 o 104.231 1.6969 537.128  17.458  574.778  25.981  506.133  23.573  107.718 2.4436 101.093 2.3625 6.624466       3.398901  
1 1 1 9   -3  0  o 249.461 3.3538 3074.22  82.579  3030.89  116.787 3117.54  116.780 247.572 4.7793 251.093 4.7120 -3.520798      6.711469  
1 1 1 9   -3  1  o 130.495 2.0598 840.710  26.531  837.870  37.518  843.552  37.522  130.251 2.9182 130.693 2.9087 -0.4411469     4.120296  
1 1 1 9   -3  2  f 171.777 2.1714 1456.80  36.816  1433.83  51.964  1479.96  52.168  170.383 3.0899 173.104 3.0533 -2.720886      4.343975  
1 1 1 9   -3  3  o 136.362 2.1728 918.035  29.244  956.748  41.370  879.369  41.345  139.182 3.0114 133.431 3.1393 5.751373       4.350137  
1 1 1 9   -3  4  o 174.932 2.4718 1511.01  42.679  1557.61  60.264  1464.12  60.451  177.566 3.4385 172.148 3.5577 5.417435       4.947768  
1 1 1 9   -3  5  o 193.599 2.7256 1850.99  52.083  1819.47  73.724  1882.40  73.589  191.877 3.8927 195.171 3.8200 -3.294693      5.453962  
1 1 1 9   -3  6  o 204.442 2.9953 2064.58  60.443  1957.21  90.403  2151.37  81.280  198.934 4.6041 208.626 3.9472 -9.692459      6.064446  
1 1 1 9   -3  7  o 215.346 3.1947 2291.23  67.905  2258.31  95.763  2324.52  96.305  213.670 4.5407 216.784 4.5008 -3.114273      6.393353  
1 1 1 9   -3  8  o 123.575 2.3786 754.172  29.013  740.197  30.052  945.808  111.285 122.420 2.4871 137.612 8.2308 -15.19162      8.598355  
1 1 1 9   -3  9  o 147.028 2.0346 1067.48  29.527  1072.54  43.565  1063.19  40.157  147.325 2.9959 146.695 2.7734 0.6302032      4.082566  
1 1 1 9   -3  10 o 162.836 2.3954 1309.79  38.501  1323.83  64.439  1302.00  48.013  163.574 3.9912 162.309 2.9969 1.264328       4.991103  
1 1 1 9   -3  11 o 127.584 1.9180 803.849  24.154  814.331  34.027  793.203  34.291  128.374 2.6854 126.694 2.7421 1.679741       3.838087  
1 1 1 9   -3  12 o 78.687  1.3396 305.671  10.404  296.436  14.668  315.023  14.761  77.476  1.9181 79.869  1.8724 -2.393188      2.680443  
1 1 1 9   -3  13 o 154.262 2.2317 1175.52  33.980  1167.40  44.308  1187.12  52.950  153.675 2.9211 154.917 3.4628 -1.241684      4.530331  
1 1 1 9   -3  14 o 92.379  1.4473 421.335  13.197  426.425  18.821  416.411  18.510  92.915  2.0522 91.818  2.0424 1.097031       2.895291  
1 1 1 9   -3  15 o 43.328  1.3691 92.686   5.8552  87.315   8.0644  98.674   8.5149  42.045  1.9432 44.697  1.9300 -2.651611      2.738811  
1 1 1 9   -3  16 o 85.049  6.3370 362.227  52.815  364.747  74.726  359.712  74.658  84.709  9.0789 84.099  9.1412 0.6104813      12.88359  
1 1 1 9   -3  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   -3  18 o 121.340 6.4117 738.491  76.518  746.914  108.191 730.060  108.236 121.050 9.1221 119.620 9.2387 1.429642       12.98336  
1 1 1 9   -3  19 o 78.687  1.4399 305.838  11.183  317.576  15.776  293.980  15.856  80.151  1.9941 77.110  2.0833 3.041000       2.883873  
1 1 1 9   -3  20 o 82.136  1.5263 333.354  12.374  341.238  17.092  324.672  17.936  83.058  2.0849 81.002  2.2434 2.055763       3.062596  
1 1 1 9   -3  21 o 103.580 1.7173 530.399  17.557  555.061  25.713  508.857  24.032  105.866 2.4608 101.372 2.4018 4.493553       3.438603  
1 1 1 9   -3  22 o 55.353  1.6322 151.478  8.9179  148.515  13.514  153.763  11.869  54.744  2.5011 55.733  2.1575 -0.9882317     3.303080  
1 1 1 9   -2  0  o 179.323 2.7856 1587.98  49.306  1560.04  69.724  1615.93  69.733  177.682 3.9756 180.840 3.9067 -3.158356      5.573875  
1 1 1 9   -2  1  o 279.413 3.3105 3856.20  91.299  3836.44  129.073 3876.00  129.161 278.579 4.6941 280.013 4.6733 -1.434814      6.623749  
1 1 1 9   -2  2  o 264.216 3.1267 3447.75  81.540  3469.33  115.304 3426.17  115.326 264.946 4.4091 263.290 4.4377 1.655701       6.255717  
1 1 1 9   -2  3  o 299.958 4.2777 4446.46  126.649 4559.20  179.132 4333.78  179.086 303.540 5.9789 295.920 6.1313 7.619476       8.563912  
1 1 1 9   -2  4  o 377.717 4.5456 7052.10  169.469 6940.12  249.575 7147.90  230.849 374.352 6.7544 380.026 6.1543 -5.674164      9.137712  
1 1 1 9   -2  5  o 205.079 2.6002 2076.74  52.633  2067.00  74.346  2086.51  74.523  204.543 3.6825 205.507 3.6739 -0.9635468     5.201751  
1 1 1 9   -2  6  o 193.904 2.5967 1856.64  49.698  1880.06  67.461  1828.85  73.493  195.077 3.5036 192.380 3.8704 2.697189       5.220607  
1 1 1 9   -2  7  o 235.118 3.1429 2730.76  72.938  2709.96  103.249 2751.47  103.051 234.109 4.4682 235.899 4.4258 -1.790451      6.289104  
1 1 1 9   -2  8  o 107.020 1.7715 565.434  18.713  568.259  28.002  563.154  25.155  107.265 2.6448 106.789 2.3865 0.4754333      3.562377  
1 1 1 9   -2  9  o 254.348 4.3310 3200.10  108.731 3241.71  118.827 2986.04  269.550 255.942 4.7037 244.096 11.188 11.84578       12.13636  
1 1 1 9   -2  10 o 217.467 2.9534 2336.83  63.393  2310.86  99.140  2354.78  82.452  216.058 4.6489 218.209 3.8282 -2.151138      6.022204  
1 1 1 9   -2  11 o 137.298 1.9032 930.855  25.792  886.924  37.792  969.157  35.288  133.970 2.8580 140.062 2.5525 -6.091507      3.831919  
1 1 1 9   -2  12 o 105.699 1.5625 551.612  16.302  561.365  23.844  543.052  22.337  106.605 2.2661 104.856 2.1583 1.748940       3.129398  
1 1 1 9   -2  13 o 63.467  1.2475 198.848  7.8146  204.368  11.112  193.447  10.992  64.333  1.7499 62.590  1.7793 1.743069       2.495622  
1 1 1 9   -2  14 o 99.576  1.4667 489.542  14.415  472.860  20.259  506.649  20.516  97.843  2.0977 101.281 2.0523 -3.437325      2.934648  
1 1 1 9   -2  15 o 253.171 3.4502 3170.79  86.218  3255.46  125.110 3094.21  118.982 256.207 4.9473 249.811 4.8254 6.396362       6.910888  
1 1 1 9   -2  16 o 141.119 2.5917 984.241  36.099  903.077  52.191  1058.69  49.985  135.051 3.9153 146.276 3.4621 -11.22578      5.226410  
1 1 1 9   -2  17 o 29.668  7.0509 45.699   20.343  47.243   27.450  43.818   30.300  30.312  8.7119 29.620  9.3031 0.6928654      12.74539  
1 1 1 9   -2  18 o 146.952 9.4633 1096.98  136.532 1096.33  193.534 1097.62  192.639 144.688 13.715 144.820 13.637 -0.1319122     19.34134  
1 1 1 9   -2  19 o 80.307  6.3298 324.770  49.767  328.541  69.677  320.844  71.107  79.983  8.9812 78.917  9.3078 1.065811       12.93428  
1 1 1 9   -2  20 o 63.580  1.6983 199.768  10.658  196.339  18.681  201.422  12.978  62.943  3.0068 63.823  2.0601 -0.8798866     3.644863  
1 1 1 9   -2  21 o 12.375  4.1176 7.2197   5.8838  5.3060   9.4590  8.4275   7.5146  13.068  5.0909 13.574  4.6534 -0.5060310     6.897190  
1 1 1 9   -2  22 o 35.096  1.4174 60.860   4.9100  61.557   5.7603  59.010   9.3893  35.288  1.6538 34.386  2.7905 0.9017181      3.243738  
1 1 1 9   -1  0  o 60.340  1.0941 179.701  6.5161  172.906  9.1097  186.821  9.3243  59.185  1.5594 61.521  1.5355 -2.335606      2.188511  
1 1 1 9   -1  1  o 231.914 3.0295 2656.10  69.347  2657.33  98.126  2654.88  98.017  231.891 4.2871 231.784 4.2843 0.1071167      6.060916  
1 1 1 9   -1  2  o 194.126 2.5074 1860.64  48.045  1840.84  67.865  1880.54  68.026  193.047 3.5616 195.119 3.5322 -2.071915      5.016120  
1 1 1 9   -1  3  o 205.112 3.0196 2077.60  61.133  2037.33  86.456  2117.87  86.455  203.048 4.3138 207.027 4.2309 -3.979324      6.042315  
1 1 1 9   -1  4  o 259.701 3.1742 3330.88  81.366  3321.55  114.999 3340.23  115.138 259.245 4.4942 259.974 4.4870 -0.7283936     6.350664  
1 1 1 9   -1  5  o 115.149 1.6074 654.492  18.269  651.191  24.777  658.425  27.044  114.849 2.1857 115.482 2.3726 -0.6325455     3.225891  
1 1 1 9   -1  6  f 172.529 2.4108 1469.68  41.055  1437.34  57.818  1502.56  58.305  170.582 3.4340 174.411 3.3869 -3.829178      4.823179  
1 1 1 9   -1  7  o 299.217 3.9207 4424.15  115.793 4257.64  163.538 4591.56  163.976 293.332 5.6484 304.645 5.4532 -11.31277      7.851237  
1 1 1 9   -1  8  f 193.305 2.4379 1845.15  46.516  1797.12  65.618  1893.67  65.950  190.717 3.4858 195.778 3.4128 -5.060822      4.878344  
1 1 1 9   -1  9  o 171.726 2.2779 1456.19  38.610  1433.94  54.510  1478.59  54.695  170.360 3.2417 172.994 3.2032 -2.633850      4.557315  
1 1 1 9   -1  10 o 109.912 1.7063 596.416  18.512  616.807  24.251  567.946  28.656  111.761 2.1984 107.227 2.7075 4.534714       3.487648  
1 1 1 9   -1  11 o 134.409 2.1254 892.166  28.197  910.042  42.167  877.708  37.922  135.696 3.1482 133.279 2.8827 2.417023       4.268643  
1 1 1 9   -1  12 o 187.080 2.7543 1729.40  50.860  1744.06  76.037  1717.53  68.419  187.730 4.1035 186.342 3.7199 1.388077       5.538655  
1 1 1 9   -1  13 o 168.439 2.4325 1401.66  40.442  1416.31  63.307  1391.56  52.566  169.191 3.7909 167.770 3.1744 1.421448       4.944419  
1 1 1 9   -1  14 o 16.354  0.9167 13.242   1.4738  13.447   1.5102  9.1540   6.7543  16.479  0.9323 13.762  4.4005 2.717001       4.498157  
1 1 1 9   -1  15 o 141.527 2.0917 989.343  29.220  988.456  41.254  990.236  41.393  141.403 2.9558 141.530 2.9631 -0.1266785     4.185281  
1 1 1 9   -1  16 o 136.603 2.1563 921.803  29.074  936.547  36.157  894.828  48.907  137.657 2.6611 134.467 3.6848 3.189987       4.545253  
1 1 1 9   -1  17 o 48.943  6.6087 121.463  31.110  124.899  43.875  117.988  44.117  49.046  9.4055 47.572  9.7238 1.473576       13.52830  
1 1 1 9   -1  18 o 165.761 6.6730 1371.31  109.178 1445.94  154.695 1297.25  154.108 169.086 9.3049 159.913 9.8110 9.172836       13.52170  
1 1 1 9   -1  19 o 99.751  1.7805 491.548  17.530  527.534  29.385  471.664  21.843  103.256 2.8832 97.683  2.2654 5.572662       3.666755  
1 1 1 9   -1  20 o 42.309  1.7346 88.449   7.2439  88.225   7.3106  100.594  53.770  42.255  1.7528 43.235  12.115 -0.9800339     12.24096  
1 1 1 9   -1  21 o 77.045  1.5193 293.288  11.554  288.075  16.541  298.256  16.145  76.308  2.1961 77.653  2.1065 -1.344238      3.043048  
1 1 1 9   -1  22 o 47.644  1.7505 112.222  8.2318  104.551  13.479  116.785  10.396  45.812  2.9974 48.580  2.1680 -2.767738      3.699318  
1 1 1 9   -1  23 o 59.463  1.7618 174.847  10.340  166.790  15.223  181.748  14.089  58.003  2.6590 60.577  2.3563 -2.574554      3.552856  
1 1 1 9   0   0  o 302.293 4.0770 4515.28  121.648 4523.56  164.203 4505.21  181.110 302.419 5.5010 301.731 6.0812 0.6879578      8.200094  
1 1 1 9   0   1  o 24.338  0.9843 29.234   2.3644  31.332   3.3508  27.154   3.3368  25.158  1.3543 23.410  1.4513 1.748592       1.985042  
1 1 1 9   0   2  o 193.695 2.7130 1852.50  51.868  1809.24  69.658  1906.32  77.704  191.380 3.6876 196.432 4.0077 -5.051178      5.446097  
1 1 1 9   0   3  o 269.986 3.9825 3601.36  106.129 3534.00  149.867 3669.12  150.313 267.296 5.6804 272.368 5.5912 -5.071472      7.970500  
1 1 1 9   0   4  o 163.133 2.4342 1313.92  39.195  1304.11  55.489  1323.68  55.372  162.489 3.4598 163.705 3.4268 -1.215820      4.869648  
1 1 1 9   0   5  o 60.004  0.9759 177.701  5.7796  186.076  8.1718  169.318  8.1754  61.400  1.3484 58.569  1.4142 2.830482       1.953996  
1 1 1 9   0   6  o 289.876 3.4230 4150.38  97.939  4083.67  138.402 4217.30  138.611 287.415 4.8786 292.086 4.8079 -4.671631      6.849574  
1 1 1 9   0   7  o 161.594 2.2305 1289.19  35.577  1258.15  48.206  1326.34  52.724  159.610 3.0599 163.871 3.2597 -4.260544      4.470813  
1 1 1 9   0   8  o 276.043 3.8133 3765.15  103.899 3796.88  154.821 3739.15  140.143 277.003 5.6625 274.951 5.1640 2.052246       7.663619  
1 1 1 9   0   9  o 117.525 1.7596 681.852  20.412  686.517  28.583  676.997  29.159  117.910 2.4560 117.087 2.5231 0.8222961      3.521082  
1 1 1 9   0   10 o 105.362 2.2226 548.158  23.114  664.068  130.420 544.399  23.486  114.564 11.698 104.998 2.2662 9.565041       11.91521  
1 1 1 9   0   11 o 145.400 1.9919 1043.89  28.586  1015.97  38.775  1077.13  42.310  143.409 2.7393 147.654 2.9031 -4.244339      3.991457  
1 1 1 9   0   12 o 130.100 1.9440 835.808  24.964  873.153  35.269  798.313  35.339  132.941 2.6878 127.109 2.8168 5.831688       3.893373  
1 1 1 9   0   13 o 60.241  1.1699 179.136  6.9559  171.318  9.9803  186.521  9.7000  58.904  1.7166 61.464  1.5989 -2.560184      2.345890  
1 1 1 9   0   14 o 171.840 2.4403 1458.88  41.391  1447.95  58.509  1469.82  58.561  171.103 3.4644 172.393 3.4416 -1.289566      4.883321  
1 1 1 9   0   15 o 49.667  1.3489 121.782  6.6126  114.739  8.6874  131.483  10.196  48.202  1.8259 51.596  2.0021 -3.394238      2.709690  
1 1 1 9   0   16 o 158.572 2.6887 1242.73  42.083  1220.87  51.036  1289.16  74.383  157.116 3.2909 161.276 4.6728 -4.160294      5.715327  
1 1 1 9   0   17 o 42.280  6.5195 91.037   26.333  94.083   37.311  88.014   37.169  42.498  9.1643 41.057  9.3776 1.441845       13.11203  
1 1 1 9   0   18 o 69.944  6.1986 245.464  42.350  238.579  60.100  252.254  59.686  68.294  9.1455 70.345  8.7880 -2.051422      12.68342  
1 1 1 9   0   19 o 50.913  1.2925 127.985  6.4954  116.243  9.5556  138.071  8.8560  48.506  1.9959 52.872  1.6970 -4.366539      2.619774  
1 1 1 9   0   20 o 35.826  1.3430 63.382   4.7489  51.458   10.723  66.292   5.2967  32.042  3.4444 36.637  1.4647 -4.594616      3.742929  
1 1 1 9   0   21 o 54.580  1.6229 147.194  8.7429  136.356  12.906  156.385  11.885  52.490  2.4911 56.234  2.1413 -3.743599      3.284913  
1 1 1 9   0   22 o 71.049  1.5870 249.473  11.129  229.025  16.327  267.221  15.211  68.012  2.4322 73.495  2.0968 -5.483467      3.211246  
1 1 1 9   0   23 o 36.433  2.1649 65.922   7.7502  61.640   12.045  68.948   10.124  35.036  3.5311 37.188  2.7783 -2.152870      4.493083  
1 1 1 9   0   24 o 67.886  6.4285 235.973  42.562  222.616  60.282  249.250  60.101  64.437  9.7857 68.596  9.1015 -4.158264      13.36403  
1 1 1 9   1   0  o 148.844 2.3732 1093.81  34.865  1087.69  52.881  1098.52  46.371  148.387 3.6105 149.141 3.1501 -0.7533569     4.791543  
1 1 1 9   1   1  o 95.813  1.6039 453.132  15.168  452.280  21.448  453.985  21.453  95.714  2.2703 95.894  2.2666 -0.1803055     3.208071  
1 1 1 9   1   2  o 259.564 3.2035 3327.39  82.074  3333.17  111.394 3320.52  121.390 259.711 4.3455 259.185 4.7450 0.5262146      6.434165  
1 1 1 9   1   3  o 125.613 2.0014 778.924  24.815  747.900  35.091  809.955  35.095  123.068 2.8888 128.075 2.7762 -5.006691      4.006553  
1 1 1 9   1   4  o 309.489 3.9729 4732.22  121.362 4612.08  171.494 4852.74  171.770 305.362 5.6899 313.244 5.5556 -7.881714      7.952297  
1 1 1 9   1   5  o 366.528 4.8511 6640.85  175.500 6571.45  240.237 6720.27  256.999 364.343 6.6803 368.377 7.0681 -4.034607      9.725486  
1 1 1 9   1   6  o 105.016 1.5530 544.363  16.097  529.886  22.459  559.655  23.083  103.602 2.1963 106.473 2.1965 -2.870506      3.106152  
1 1 1 9   1   7  o 148.905 2.4308 1094.72  35.726  1125.03  50.528  1064.43  50.521  150.922 3.3919 146.798 3.4867 4.124115       4.864413  
1 1 1 9   1   8  o 269.454 3.2535 3586.11  86.532  3571.00  122.364 3601.22  122.384 268.776 4.6124 269.913 4.5938 -1.136627      6.509762  
1 1 1 9   1   9  o 109.906 1.5034 596.251  16.309  596.398  22.916  596.101  23.216  109.909 2.1124 109.881 2.1406 0.2800751E-01  3.007393  
1 1 1 9   1   10 o 35.322  0.8194 61.577   2.8567  57.671   4.0392  65.486   4.0407  34.182  1.1972 36.425  1.1239 -2.242783      1.642097  
1 1 1 9   1   11 o 152.888 3.0079 1154.82  45.391  0.0000   0.0000  1154.82  45.391  ?       ?      152.888 3.0079 0.000000       3.007885  
1 1 1 9   1   12 o 346.785 4.1680 5949.32  142.665 6070.69  201.826 5828.11  201.691 349.899 5.8439 342.804 5.9609 7.094757       8.347612  
1 1 1 9   1   13 o 153.194 2.0451 1158.97  30.924  1175.56  43.792  1142.48  43.674  154.236 2.8766 152.048 2.9101 2.188049       4.091890  
1 1 1 9   1   14 o 76.422  1.4059 288.329  10.605  306.484  15.333  271.682  14.683  78.778  1.9719 74.170  2.0056 4.608269       2.812668  
1 1 1 9   1   15 o 198.910 2.7134 1955.27  53.274  1983.70  75.173  1926.58  75.509  200.220 3.8038 197.307 3.8772 2.913498       5.431575  
1 1 1 9   1   16 o 310.993 5.6358 4802.51  172.997 4763.27  232.662 4851.02  258.714 308.934 7.6301 311.390 8.4175 -2.455719      11.36099  
1 1 1 9   1   17 o 99.196  6.2254 491.339  60.644  524.967  86.011  458.095  85.518  102.018 8.6224 95.098  9.2269 6.920181       12.62862  
1 1 1 9   1   18 o 45.195  6.5795 103.844  28.490  104.087  40.424  103.604  40.158  44.672  9.4623 44.573  9.4227 0.9883881E-01  13.35371  
1 1 1 9   1   19 o 31.548  2.3138 49.448   7.1547  37.844   10.754  58.665   9.5838  27.333  4.1134 34.324  2.8547 -6.991423      5.006937  
1 1 1 9   1   20 o 95.603  1.6386 451.451  15.463  483.623  22.429  422.312  21.346  98.912  2.2974 92.427  2.3398 6.484955       3.279128  
1 1 1 9   1   21 o 55.386  2.0906 151.656  11.429  137.026  47.612  152.551  11.773  50.945  9.8246 55.547  2.1474 -4.601833      10.05650  
1 1 1 9   1   22 o 28.343  1.5291 39.809   4.2620  35.292   4.7683  57.755   9.5042  26.657  1.8232 34.020  2.8568 -7.363319      3.389051  
1 1 1 9   1   23 o 59.154  1.6833 172.981  9.8281  171.552  16.975  173.701  12.054  58.811  2.9243 59.253  2.0611 -0.4417839     3.577597  
1 1 1 9   1   24 o 49.868  1.9146 123.022  9.4239  128.335  14.434  119.074  12.442  50.774  2.8921 48.945  2.5845 1.828629       3.878647  
1 1 1 9   2   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   2   1  o 333.885 4.9518 5510.93  163.189 5412.31  230.564 5609.93  231.006 330.597 7.0658 336.596 6.9531 -5.999664      9.913183  
1 1 1 9   2   2  o 175.854 2.3713 1526.80  41.159  1481.46  57.263  1575.25  59.202  173.190 3.3498 178.588 3.3586 -5.397720      4.743505  
1 1 1 9   2   3  o 319.755 3.7665 5050.79  118.876 4946.94  168.016 5154.88  168.215 316.290 5.3818 322.882 5.2782 -6.591217      7.538176  
1 1 1 9   2   4  o 337.718 4.2764 5635.75  142.549 5551.55  201.458 5720.17  201.732 334.972 6.0932 340.032 6.0107 -5.060516      8.558901  
1 1 1 9   2   5  o 418.436 5.0486 8655.95  208.514 8502.51  294.946 8809.27  294.822 414.336 7.2120 421.771 7.0819 -7.434723      10.10774  
1 1 1 9   2   6  o 280.277 3.6686 3880.45  101.490 3833.81  143.379 3927.28  143.679 278.455 5.2167 281.834 5.1649 -3.379028      7.341038  
1 1 1 9   2   7  o 111.490 1.7734 613.577  19.515  621.365  27.739  605.944  27.461  112.184 2.5051 110.783 2.5114 1.400986       3.547188  
1 1 1 9   2   8  o 344.765 4.2492 5873.76  144.600 5819.99  213.035 5919.70  196.907 342.916 6.2940 345.920 5.7670 -3.004395      8.536590  
1 1 1 9   2   9  o 300.501 3.9165 4461.96  116.167 4410.69  164.187 4513.36  164.382 298.582 5.5711 302.045 5.5138 -3.462677      7.838299  
1 1 1 9   2   10 o 224.795 2.9658 2495.91  65.806  2474.98  97.298  2513.56  89.338  223.741 4.4058 225.512 4.0136 -1.771362      5.959866  
1 1 1 9   2   11 o 212.175 2.8794 2223.73  60.302  2198.21  83.346  2251.77  87.356  210.865 4.0045 213.405 4.1472 -2.539963      5.764994  
1 1 1 9   2   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   2   13 o 139.453 1.9406 960.287  26.712  1020.55  37.786  900.091  37.766  143.726 2.6636 134.968 2.8349 8.757736       3.889916  
1 1 1 9   2   14 o 264.583 3.3806 3461.48  88.285  3452.42  120.074 3472.13  130.253 264.019 4.6077 264.691 4.9856 -0.6719971     6.788722  
1 1 1 9   2   15 o 123.970 1.8025 758.910  22.056  772.973  31.126  744.727  31.258  125.078 2.5212 122.768 2.5796 2.309898       3.607025  
1 1 1 9   2   16 o 58.480  8.9585 175.117  50.063  178.639  70.666  171.569  70.934  58.219  12.658 56.988  12.910 1.230469       18.08023  
1 1 1 9   2   17 o 147.639 6.5339 1084.92  95.216  1071.31  134.619 1098.56  134.692 145.762 9.4071 147.650 9.2895 -1.887924      13.22074  
1 1 1 9   2   18 o 207.210 4.4753 2128.09  91.531  2150.57  207.005 2122.63  102.049 206.474 10.157 206.835 4.9986 -0.3607788     11.32071  
1 1 1 9   2   19 f 159.835 2.1864 1262.23  34.493  1299.17  49.293  1226.80  48.283  162.065 3.0815 157.484 3.1062 4.581665       4.375383  
1 1 1 9   2   20 o 89.766  1.6628 397.988  14.733  386.903  21.390  407.994  20.322  88.467  2.4496 90.858  2.2661 -2.390305      3.336975  
1 1 1 9   2   21 o 181.942 2.4344 1637.15  43.717  1596.20  61.982  1677.69  61.670  179.449 3.4994 183.996 3.3957 -4.547302      4.876123  
1 1 1 9   2   22 o 46.026  6.7282 108.833  29.663  96.656   41.779  121.211  42.122  42.454  10.115 47.885  9.2469 -5.431412      13.70430  
1 1 1 9   2   23 o 18.169  4.3902 17.123   7.7853  21.229   11.072  13.108   10.949  20.226  5.4313 16.679  5.6175 3.547642       7.813792  
1 1 1 9   2   24 o 49.333  1.5334 120.288  7.4667  138.817  14.085  113.046  8.8058  52.846  2.7095 47.808  1.8661 5.037579       3.289902  
1 1 1 9   3   0  o 314.324 8.4741 4902.55  262.908 4896.85  371.840 4908.25  371.777 313.280 12.025 313.649 12.009 -0.3689880     16.99465  
1 1 1 9   3   1  o 382.626 9.5534 7271.38  360.798 7198.48  510.256 7344.27  510.236 379.461 13.623 383.335 13.485 -3.872986      19.16901  
1 1 1 9   3   2  o 220.451 7.1920 2406.69  156.494 2376.20  221.317 2437.17  221.315 218.663 10.254 221.470 10.124 -2.806854      14.41010  
1 1 1 9   3   3  o 343.141 6.0590 5825.70  205.214 5829.85  273.417 5820.34  310.547 342.926 8.0778 342.421 9.1883 0.5054321      12.23418  
1 1 1 9   3   4  o 198.377 2.5840 1943.05  50.595  1924.11  75.115  1958.77  68.453  197.353 3.8561 199.141 3.4826 -1.787781      5.195951  
1 1 1 9   3   5  o 398.929 5.2506 7868.78  206.747 7844.49  282.444 7896.82  303.453 397.987 7.1900 399.209 7.7012 -1.222473      10.53590  
1 1 1 9   3   6  f 254.323 3.4250 3194.66  85.978  3163.73  121.659 3225.52  121.522 252.984 4.8721 255.448 4.8197 -2.463211      6.853247  
1 1 1 9   3   7  f 388.696 4.4499 7466.22  170.724 7464.52  241.426 7467.92  241.454 388.393 6.2977 388.482 6.2970 -0.8859253E-01 8.905739  
1 1 1 9   3   8  o 437.719 5.8124 9478.29  251.122 9473.71  355.146 9482.87  355.133 437.090 8.2320 437.302 8.2277 -0.2123718     11.63870  
1 1 1 9   3   9  o 270.395 3.4846 3611.65  93.001  3673.72  126.491 3538.63  137.208 272.605 4.7010 267.495 5.1967 5.109436       7.007533  
1 1 1 9   3   10 o 81.675  1.4443 329.273  11.643  339.422  16.404  318.967  16.530  82.917  2.0043 80.378  2.0835 2.538429       2.891045  
1 1 1 9   3   11 o 166.745 2.3198 1372.94  38.180  1395.66  54.103  1350.40  53.886  168.074 3.2613 165.325 3.3022 2.749893       4.641171  
1 1 1 9   3   12 o 78.843  1.3559 306.846  10.552  323.445  15.003  290.596  14.844  80.939  1.8779 76.717  1.9603 4.221497       2.714674  
1 1 1 9   3   13 o 56.347  2.0607 156.783  11.461  157.338  11.649  140.028  64.022  56.446  2.0909 51.677  12.653 4.768440       12.82450  
1 1 1 9   3   14 o 140.818 2.0333 979.285  28.262  970.299  41.543  987.028  38.560  140.114 3.0039 141.333 2.7641 -1.218582      4.082097  
1 1 1 9   3   15 f 58.962  1.1774 171.615  6.8523  167.508  9.6483  175.796  9.7336  58.245  1.6783 59.669  1.6527 -1.423893      2.355420  
1 1 1 9   3   16 o 140.219 6.4366 977.914  89.083  940.145  125.982 1015.68  125.984 136.577 9.4026 142.095 9.0295 -5.517273      13.03617  
1 1 1 9   3   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   3   18 o 193.215 2.5742 1844.97  49.093  1931.17  67.369  1747.38  71.686  197.566 3.4548 187.871 3.8658 9.695557       5.184596  
1 1 1 9   3   19 o 52.284  1.4808 134.977  7.6420  125.418  9.7928  149.865  12.221  50.389  1.9690 55.074  2.2482 -4.685078      2.988494  
1 1 1 9   3   20 o 95.811  1.6391 453.363  15.501  467.471  22.697  441.030  21.221  97.253  2.3645 94.468  2.2759 2.785370       3.281848  
1 1 1 9   3   21 o 45.326  1.5155 101.466  6.7802  109.685  13.496  98.690   7.8417  46.988  2.9244 44.695  1.7775 2.292404       3.422225  
1 1 1 9   3   22 o 160.718 2.2596 1277.53  35.846  1287.13  50.952  1268.12  50.439  161.146 3.2034 159.954 3.1947 1.192413       4.524150  
1 1 1 9   3   23 o 77.090  2.4060 294.209  18.307  291.963  19.000  323.346  68.429  76.785  2.5069 78.816  8.9552 -2.030937      9.299481  
1 1 1 9   3   24 o 111.323 1.9063 612.970  20.946  575.663  29.935  648.757  29.319  107.741 2.8150 114.418 2.5961 -6.677162      3.829351  
1 1 1 9   3   25 o 94.926  1.8093 445.718  16.952  454.708  25.161  438.244  22.941  95.752  2.6622 94.034  2.4717 1.717606       3.632722  
1 1 1 9   4   0  o 234.596 7.3736 2728.17  170.740 2648.57  241.472 2807.75  241.453 230.604 10.609 237.494 10.300 -6.890564      14.78652  
1 1 1 9   4   1  o 223.237 7.2214 2468.85  159.118 2496.33  225.056 2441.37  224.997 224.056 10.177 221.558 10.289 2.498688       14.47128  
1 1 1 9   4   2  o 143.709 6.3346 1022.04  89.854  976.750  127.071 1067.33  127.076 139.971 9.2498 146.406 8.8350 -6.435501      12.79124  
1 1 1 9   4   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   4   4  o 458.118 6.7503 10390.17 305.236 10559.75 431.812 10220.83 431.525 461.137 9.4871 453.631 9.6376 7.505249       13.52362  
1 1 1 9   4   5  o 160.910 2.6818 1278.45  42.594  1211.89  86.350  1299.85  48.965  156.536 5.5887 162.239 3.0577 -5.703278      6.370522  
1 1 1 9   4   6  o 282.563 4.1707 3945.07  116.322 4001.83  164.469 3888.26  164.540 284.423 5.8585 280.348 5.9462 4.074738       8.347425  
1 1 1 9   4   7  o 35.033  1.0695 60.576   3.6981  65.784   5.2262  55.353   5.2338  36.507  1.4503 33.488  1.5834 3.019508       2.147262  
1 1 1 9   4   8  o 119.884 2.0692 709.513  24.484  723.818  34.627  695.210  34.626  121.070 2.8977 118.651 2.9566 2.418129       4.139788  
1 1 1 9   4   9  o 153.276 2.1133 1159.83  31.971  1143.28  45.181  1176.44  45.248  152.152 3.0085 154.343 2.9701 -2.191788      4.227598  
1 1 1 9   4   10 o 387.799 4.5831 7435.07  175.427 7392.37  248.080 7477.79  248.102 386.336 6.5057 388.570 6.4689 -2.233307      9.174418  
1 1 1 9   4   11 o 330.631 4.0919 5403.84  133.538 5426.37  196.960 5384.68  181.667 331.001 6.0286 329.811 5.5805 1.190033       8.215002  
1 1 1 9   4   12 o 221.842 2.9282 2431.20  64.117  2418.35  87.094  2446.40  94.738  221.162 3.9897 222.406 4.3156 -1.244095      5.877291  
1 1 1 9   4   13 o 188.004 2.5707 1745.94  47.704  1767.82  67.501  1724.11  67.428  189.095 3.6166 186.739 3.6582 2.356415       5.144126  
1 1 1 9   4   14 o 106.096 2.1619 555.934  22.640  554.756  23.368  573.943  91.370  105.981 2.2339 106.854 8.7397 -0.8733444     9.020695  
1 1 1 9   4   15 o 232.950 3.4989 2683.90  80.450  2747.70  113.783 2620.12  113.765 235.459 4.8959 229.904 5.0133 5.554535       7.007348  
1 1 1 9   4   16 o 132.025 6.3652 866.804  82.947  838.109  117.262 895.539  117.346 128.957 9.2745 133.413 8.9633 -4.455475      12.89790  
1 1 1 9   4   17 f 129.282 6.3406 831.445  80.909  836.456  114.449 826.440  114.397 128.839 9.0574 128.046 9.1108 0.7928162      12.84690  
1 1 1 9   4   18 o 85.370  1.5271 359.850  12.868  347.783  18.618  370.885  17.804  83.902  2.2482 86.651  2.0817 -2.748466      3.063942  
1 1 1 9   4   19 o 124.389 1.9247 764.238  23.630  748.339  32.842  781.305  34.027  123.038 2.7043 125.716 2.7422 -2.677887      3.851336  
1 1 1 9   4   20 o 126.120 1.8714 785.707  23.296  786.835  33.476  784.648  32.439  126.151 2.6885 125.982 2.6087 0.1687012      3.746091  
1 1 1 9   4   21 o 120.659 1.9136 719.297  22.790  724.183  33.277  714.982  31.275  120.992 2.7865 120.236 2.6353 0.7561111      3.835247  
1 1 1 9   4   22 o 24.178  1.4498 28.977   3.4439  32.311   11.245  28.632   3.6177  25.078  4.7160 24.027  1.5335 1.051468       4.959031  
1 1 1 9   4   23 o 51.850  1.9141 132.924  9.7958  147.495  14.579  120.932  13.226  54.567  2.7069 49.334  2.7268 5.232948       3.842178  
1 1 1 9   4   24 o 75.375  1.7303 280.900  12.873  298.236  19.582  267.705  17.083  77.583  2.5572 73.527  2.3539 4.056190       3.475645  
1 1 1 9   4   25 o 39.204  8.3032 82.045   31.130  76.910   38.114  92.335   53.953  37.552  10.074 40.778  12.345 -3.225994      15.93399  
1 1 1 9   5   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   5   1  o 60.090  5.9547 180.441  34.853  171.928  49.338  188.919  49.241  58.190  8.8707 61.141  8.3799 -2.951366      12.20297  
1 1 1 9   5   2  o 300.794 8.2644 4487.39  245.365 4448.20  347.016 4526.58  346.981 298.719 11.769 301.366 11.665 -2.646973      16.57065  
1 1 1 9   5   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   5   4  o 134.202 3.2775 889.479  43.414  899.365  61.396  879.593  61.398  134.898 4.6111 133.405 4.6628 1.493195       6.557747  
1 1 1 9   5   5  o 319.841 4.7215 5056.49  149.055 5191.83  210.972 4921.61  210.618 323.853 6.6000 315.288 6.7679 8.565155       9.453288  
1 1 1 9   5   6  o 294.601 4.9503 4290.58  143.947 4331.03  203.572 4250.14  203.572 295.737 6.9740 292.953 7.0402 2.784241       9.909626  
1 1 1 9   5   7  o 165.804 2.5275 1357.32  41.363  1354.68  58.523  1359.96  58.469  165.606 3.5803 165.928 3.5701 -0.3224640     5.056074  
1 1 1 9   5   8  o 181.621 2.2941 1628.54  41.125  1615.61  58.215  1641.42  58.104  180.864 3.2610 182.304 3.2290 -1.440628      4.589207  
1 1 1 9   5   9  o 339.697 4.7131 5704.52  158.027 5564.15  223.352 5845.22  223.617 335.194 6.7509 343.583 6.5939 -8.389130      9.436816  
1 1 1 9   5   10 o 310.882 3.8185 4775.59  117.172 4689.77  165.681 4861.46  165.730 307.880 5.4520 313.479 5.3562 -5.598450      7.642897  
1 1 1 9   5   11 o 84.254  1.3944 350.402  11.596  333.961  16.288  367.300  16.513  82.245  2.0065 86.254  1.9396 -4.008606      2.790690  
1 1 1 9   5   12 o 89.120  1.4237 392.057  12.524  390.777  17.304  393.466  18.149  88.965  1.9705 89.268  2.0598 -0.3037567     2.850564  
1 1 1 9   5   13 o 111.742 1.5903 616.430  17.540  610.062  26.240  621.573  23.583  111.140 2.3920 112.192 2.1297 -1.052429      3.202691  
1 1 1 9   5   14 o 111.528 1.7857 614.169  19.657  603.086  27.703  625.408  27.896  110.490 2.5403 112.517 2.5119 -2.027405      3.572463  
1 1 1 9   5   15 o 62.883  1.7006 195.247  10.555  199.059  13.354  188.900  17.232  63.484  2.1311 61.825  2.8239 1.659752       3.537769  
1 1 1 9   5   16 o 83.512  6.1185 348.451  50.084  324.243  71.368  371.943  70.303  79.912  9.2171 85.847  8.4046 -5.935059      12.47366  
1 1 1 9   5   17 f 11.194  4.4820 2.9431   7.5159  0.0413   12.052  4.7898   9.6143  12.821  5.4507 13.014  5.1144 -0.1930580     7.474453  
1 1 1 9   5   18 o 222.712 3.1800 2453.08  69.905  2390.16  103.906 2505.11  94.485  219.541 4.7950 224.873 4.2569 -5.331802      6.411971  
1 1 1 9   5   19 o 108.142 1.7306 577.540  18.472  562.632  26.646  591.334  25.631  106.696 2.5302 109.393 2.3738 -2.697044      3.469413  
1 1 1 9   5   20 o 75.909  1.4151 284.513  10.603  306.045  14.568  260.262  15.461  78.714  1.8751 72.577  2.1582 6.136406       2.858979  
1 1 1 9   5   21 o 27.404  1.1261 37.076   3.0458  36.627   3.1333  44.774   12.983  27.237  1.1655 29.690  4.5774 -2.452644      4.723404  
1 1 1 9   5   22 o 52.517  1.6350 136.251  8.4755  142.417  15.615  133.675  10.092  53.551  2.9657 52.007  1.9659 1.543591       3.558102  
1 1 1 9   5   23 o 67.041  1.7545 222.140  11.610  231.318  17.576  215.035  15.464  68.352  2.6052 65.920  2.3767 2.431671       3.526454  
1 1 1 9   5   24 o 90.739  1.9125 407.226  17.129  392.584  28.009  415.973  21.649  88.920  3.1912 91.652  2.3931 -2.731529      3.988862  
1 1 1 9   5   25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   5   26 o 24.759  5.1003 31.940   12.049  27.902   28.052  32.853   13.343  24.738  8.9455 25.036  5.5454 -0.2985973     10.52489  
1 1 1 9   6   0  o 171.267 2.6665 1448.66  45.076  1542.02  78.879  1403.39  54.928  176.579 4.5257 168.537 3.3019 8.041855       5.602227  
1 1 1 9   6   1  o 143.172 6.3613 1015.28  89.895  1019.23  127.126 1011.33  127.136 142.906 9.0595 142.342 9.0966 0.5634613      12.83833  
1 1 1 9   6   2  o 217.994 7.1552 2354.84  153.956 2365.91  217.730 2343.78  217.723 218.062 10.116 217.032 10.164 1.030762       14.33984  
1 1 1 9   6   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   6   4  o 150.188 5.1555 1115.32  76.426  1115.32  76.426  0.0000   0.0000  150.188 5.1555 ?       ?      0.000000       5.155499  
1 1 1 9   6   5  o 122.012 1.8770 734.880  22.605  756.910  32.218  713.519  31.724  123.812 2.6363 120.210 2.6737 3.602081       3.754879  
1 1 1 9   6   6  o 170.369 2.4236 1433.06  40.756  1501.86  55.077  1349.79  60.593  174.384 3.1998 165.299 3.7138 9.084747       4.902158  
1 1 1 9   6   7  o 278.583 3.7126 3833.89  102.087 3883.45  144.403 3784.36  144.342 280.243 5.2205 276.638 5.2862 3.605286       7.429510  
1 1 1 9   6   8  f 68.351  1.2906 230.595  8.7067  228.428  12.279  232.786  12.347  68.025  1.8288 68.671  1.8217 -0.6459579     2.581281  
1 1 1 9   6   9  o 165.020 2.2767 1344.47  37.083  1300.82  52.275  1388.69  52.613  162.284 3.2635 167.679 3.1789 -5.395020      4.555883  
1 1 1 9   6   10 o 250.901 3.3645 3109.80  83.321  3067.72  117.797 3151.93  117.870 249.073 4.7915 252.475 4.7299 -3.401779      6.732802  
1 1 1 9   6   11 o 186.277 2.4415 1713.47  44.890  1670.12  63.441  1756.94  63.526  183.849 3.4960 188.572 3.4130 -4.723679      4.885791  
1 1 1 9   6   12 o 232.485 3.0199 2670.20  69.299  2702.26  94.244  2632.45  102.251 233.776 4.0844 230.691 4.4906 3.085220       6.070192  
1 1 1 9   6   13 o 164.750 2.2144 1340.42  36.009  1347.28  50.953  1333.57  50.896  165.118 3.1264 164.275 3.1389 0.8425598      4.430238  
1 1 1 9   6   14 o 36.737  1.8985 66.821   6.8604  72.094   9.3339  60.627   10.118  38.121  2.4944 34.900  2.9652 3.220573       3.874840  
1 1 1 9   6   15 o 205.451 7.0850 2101.49  143.676 2089.30  203.164 2113.68  203.214 203.941 10.093 205.148 10.036 -1.206985      14.23306  
1 1 1 9   6   16 o 165.110 6.5370 1356.39  106.533 1316.49  150.525 1396.43  150.795 161.683 9.4735 166.627 9.2044 -4.944229      13.20869  
1 1 1 9   6   17 o 124.029 1.8292 759.705  22.393  728.920  31.807  789.960  31.531  121.445 2.6534 126.436 2.5266 -4.991074      3.663936  
1 1 1 9   6   18 o 170.982 2.5669 1444.81  43.320  1403.48  61.235  1486.21  61.293  168.394 3.6842 173.299 3.5832 -4.905487      5.139325  
1 1 1 9   6   19 o 37.206  1.1038 68.335   4.0536  64.068   5.8158  72.367   5.6529  36.020  1.6358 38.283  1.4960 -2.263672      2.216738  
1 1 1 9   6   20 o 173.646 2.4970 1490.41  42.798  1499.56  60.525  1481.26  60.526  174.046 3.5232 172.977 3.5450 1.068771       4.998025  
1 1 1 9   6   21 o 131.091 2.3565 849.448  30.491  806.187  49.940  875.159  38.501  127.525 3.9676 133.003 2.9328 -5.477997      4.933819  
1 1 1 9   6   22 o 13.257  5.1047 5.7679   9.4248  10.741   14.103  1.7538   12.670  16.847  6.2990 13.562  5.6666 3.284474       8.472733  
1 1 1 9   6   23 o 186.407 2.5366 1719.88  46.671  1770.23  66.646  1671.43  65.378  188.844 3.5755 183.488 3.6099 5.356369       5.080879  
1 1 1 9   6   24 o 21.718  7.0474 23.326   17.276  20.405   24.662  26.141   24.207  22.389  8.3380 23.763  8.3402 -1.374325      11.79327  
1 1 1 9   6   25 o 88.717  6.3310 400.650  55.075  410.327  77.960  391.008  77.816  88.412  9.0616 86.153  9.2984 2.259590       12.98356  
1 1 1 9   6   26 o 68.938  2.0527 235.284  13.968  217.528  21.958  247.352  18.102  66.023  3.3808 70.617  2.5971 -4.593513      4.263146  
1 1 1 9   7   0  o 164.711 2.1218 1339.61  34.495  1395.59  48.912  1284.22  48.656  168.076 2.9483 161.224 3.0576 6.851898       4.247496  
1 1 1 9   7   1  o 206.101 9.9834 2117.88  203.092 2177.40  287.279 2058.42  287.152 207.479 14.112 201.558 14.531 5.920898       20.25591  
1 1 1 9   7   2  o 80.171  6.9137 320.924  54.174  327.682  66.368  307.429  93.782  80.789  8.4478 77.386  12.720 3.403465       15.26971  
1 1 1 9   7   3  o 266.129 9.0110 3518.96  236.699 3513.85  289.895 3529.18  409.975 265.483 11.063 264.241 15.791 1.242371       19.28086  
1 1 1 9   7   4  o 308.847 8.2370 4732.50  251.100 4732.50  251.100 0.0000   0.0000  308.847 8.2370 ?       ?      0.000000       8.237016  
1 1 1 9   7   5  o 207.816 3.0327 2132.87  62.207  2092.95  88.105  2172.55  87.844  205.788 4.3376 209.671 4.2446 -3.882965      6.068893  
1 1 1 9   7   6  o 360.432 5.0356 6423.54  179.145 6387.94  241.262 6467.28  267.455 359.150 6.8058 361.239 7.5011 -2.089172      10.12843  
1 1 1 9   7   7  o 166.797 2.2770 1373.58  37.488  1397.50  53.090  1349.79  52.942  168.211 3.1976 165.313 3.2446 2.898026       4.555420  
1 1 1 9   7   8  o 82.644  1.3463 337.124  10.982  338.948  15.797  335.419  15.278  82.861  1.9314 82.429  1.8778 0.4318085      2.693831  
1 1 1 9   7   9  o 112.037 1.9199 619.673  21.232  638.304  31.332  603.855  28.871  113.690 2.7921 110.583 2.6451 3.106819       3.846104  
1 1 1 9   7   10 o 198.871 2.6999 1953.14  52.997  1966.72  74.971  1939.58  74.926  199.496 3.8074 198.113 3.8317 1.382828       5.401679  
1 1 1 9   7   11 o 215.811 2.7876 2300.36  59.379  2305.62  82.458  2294.70  85.578  215.978 3.8680 215.452 4.0242 0.5259399      5.581742  
1 1 1 9   7   12 o 152.738 2.1399 1151.95  32.261  1140.38  45.597  1163.55  45.652  151.928 3.0406 153.465 3.0138 -1.537048      4.281190  
1 1 1 9   7   13 o 59.409  1.2703 174.222  7.4487  165.479  10.724  182.371  10.353  57.892  1.8768 60.777  1.7259 -2.885170      2.549733  
1 1 1 9   7   14 o 144.031 2.0143 1024.46  28.635  992.841  40.647  1055.61  40.348  141.743 2.9053 146.162 2.7968 -4.419067      4.032711  
1 1 1 9   7   15 o 126.903 6.2896 800.361  78.782  791.733  111.491 808.966  111.338 125.435 9.0661 126.829 8.9514 -1.394127      12.74058  
1 1 1 9   7   16 o 231.773 7.3905 2679.24  169.070 2639.38  239.054 2719.14  239.150 228.783 10.586 232.286 10.431 -3.502869      14.86157  
1 1 1 9   7   17 o 57.871  1.7168 165.383  9.8067  138.913  14.200  189.517  13.559  52.944  2.7266 61.937  2.2180 -8.993500      3.514800  
1 1 1 9   7   18 o 242.970 3.0952 2919.50  74.229  2853.07  105.137 2985.52  104.814 239.927 4.4396 245.460 4.3262 -5.532455      6.198853  
1 1 1 9   7   19 o 160.188 2.2743 1267.88  35.959  1351.79  49.644  1175.26  52.156  165.327 3.0422 154.110 3.4288 11.21654       4.583862  
1 1 1 9   7   20 o 137.370 2.3499 932.575  31.862  971.661  57.420  915.186  38.299  140.014 4.1549 136.039 2.8523 3.975372       5.039696  
1 1 1 9   7   21 o 88.706  1.7607 388.680  15.416  397.968  22.249  380.103  21.381  89.719  2.5124 87.685  2.4704 2.034294       3.523537  
1 1 1 9   7   22 o 47.352  2.0556 110.819  9.6075  99.694   14.569  119.379  12.780  44.739  3.3231 49.052  2.6494 -4.313919      4.249966  
1 1 1 9   7   23 o 72.098  1.6226 256.835  11.547  243.462  18.493  265.381  14.783  70.126  2.6717 73.263  2.0443 -3.136276      3.364122  
1 1 1 9   7   24 o 100.587 6.4039 512.889  63.249  537.064  88.747  487.937  90.164  101.697 8.9317 96.538  9.5892 5.158630       13.10454  
1 1 1 9   7   25 o 51.590  2.5157 131.913  12.810  117.165  18.726  144.886  17.563  48.313  3.9618 53.883  3.3184 -5.570656      5.167963  
1 1 1 9   7   26 o 67.290  3.5995 226.246  23.820  226.246  23.820  0.0000   0.0000  67.290  3.5995 ?       ?      0.000000       3.599479  
1 1 1 9   8   0  o 168.897 2.2244 1408.76  37.082  1418.47  52.510  1399.10  52.376  169.422 3.1400 168.260 3.1537 1.161865       4.450333  
1 1 1 9   8   1  o 237.676 5.3017 2797.25  124.375 2839.08  133.596 2525.20  340.689 239.391 5.6539 222.480 15.613 16.91103       16.60545  
1 1 1 9   8   2  o 262.394 7.7656 3419.84  201.122 3414.95  284.436 3424.73  284.424 261.355 11.026 261.734 11.010 -0.3788452     15.58156  
1 1 1 9   8   3  o 264.684 7.7797 3477.75  203.246 3453.19  287.430 3502.31  287.436 262.961 11.074 264.847 10.995 -1.885834      15.60560  
1 1 1 9   8   4  o 194.449 3.3953 1867.93  65.164  1867.99  91.997  1867.87  92.317  194.352 4.7957 194.344 4.8126 0.7904053E-02  6.794055  
1 1 1 9   8   5  o 106.532 2.2106 560.335  23.245  0.0000   0.0000  560.335  23.245  ?       ?      106.532 2.2106 0.000000       2.210628  
1 1 1 9   8   6  o 188.341 2.7904 1751.77  51.873  1747.52  73.203  1756.05  73.516  188.052 3.9438 188.510 3.9510 -0.4581604     5.582525  
1 1 1 9   8   7  o 87.823  1.7739 380.741  15.377  398.412  19.208  349.208  25.658  89.832  2.1663 84.085  3.0916 5.746933       3.775003  
1 1 1 9   8   8  o 51.792  1.0935 132.394  5.5901  122.575  7.6830  143.441  8.1489  49.831  1.5620 53.907  1.5315 -4.075054      2.187591  
1 1 1 9   8   9  o 158.516 2.0676 1240.56  32.350  1238.26  47.930  1242.49  43.841  158.332 3.0670 158.613 2.8003 -0.2814331     4.153069  
1 1 1 9   8   10 o 270.791 4.0078 3624.59  107.122 3624.92  151.364 3624.27  151.623 270.590 5.6673 270.564 5.6775 0.2581787E-01  8.022038  
1 1 1 9   8   11 o 187.049 2.4059 1727.80  44.418  1691.78  62.828  1763.79  62.806  185.028 3.4402 188.930 3.3680 -3.901764      4.814341  
1 1 1 9   8   12 o 43.705  1.1431 94.284   4.9311  101.799  7.0921  87.250   6.8609  45.410  1.5823 42.040  1.6535 3.370598       2.288575  
1 1 1 9   8   13 o 242.904 3.0111 2915.64  72.193  2842.93  102.171 2988.14  102.023 239.693 4.3186 245.755 4.2059 -6.061874      6.028256  
1 1 1 9   8   14 o 225.026 7.2918 2520.59  161.957 2565.79  229.101 2475.44  228.982 226.087 10.266 222.003 10.450 4.083755       14.64918  
1 1 1 9   8   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   8   16 o 52.011  1.7658 133.587  9.0653  132.458  13.564  134.499  12.187  51.702  2.6671 52.175  2.3664 -0.4735870     3.565544  
1 1 1 9   8   17 o 179.746 6.7776 1609.89  120.246 1617.15  170.048 1602.64  170.058 179.025 9.6591 178.199 9.7051 0.8262024      13.69254  
1 1 1 9   8   18 o 104.211 1.7921 536.339  18.434  584.532  26.287  489.712  25.857  108.759 2.4488 99.537  2.6318 9.221466       3.594840  
1 1 1 9   8   19 o 44.628  2.4169 98.716   10.607  87.747   15.296  108.876  14.721  41.933  3.7348 46.804  3.2059 -4.870716      4.922029  
1 1 1 9   8   20 o 143.288 2.1381 1014.45  30.239  1008.06  44.131  1020.10  41.518  142.742 3.1323 143.614 2.9289 -0.8721771     4.288315  
1 1 1 9   8   21 o 70.442  1.5830 245.063  11.006  231.638  15.894  257.431  15.256  68.456  2.3523 72.176  2.1415 -3.720367      3.181085  
1 1 1 9   8   22 o 65.157  1.4997 209.678  9.6447  231.854  12.588  178.159  15.008  68.501  1.8618 60.017  2.5334 8.483879       3.143977  
1 1 1 9   8   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   8   24 o 104.438 6.4825 552.943  66.494  556.770  94.007  549.112  94.066  103.370 9.3136 102.607 9.3922 0.7632446      13.22712  
1 1 1 9   8   25 o 78.954  2.0690 308.542  16.124  300.222  23.840  315.557  21.891  77.741  3.1069 79.753  2.7809 -2.012573      4.169631  
1 1 1 9   8   26 o 35.842  1.8266 63.725   6.4409  62.147   18.709  63.937   6.8602  34.653  5.6658 35.890  1.9438 -1.236954      5.989931  
1 1 1 9   9   0  o 135.323 1.7537 904.168  23.424  912.149  33.200  896.257  33.055  135.887 2.4753 134.697 2.4862 1.189514       3.508343  
1 1 1 9   9   1  o 79.673  1.8792 313.427  14.778  312.292  21.291  314.483  20.528  79.507  2.7130 79.788  2.6066 -0.2815475     3.762278  
1 1 1 9   9   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   9   3  o 262.257 7.7493 3417.72  200.596 3438.46  283.686 3396.97  283.684 262.157 10.963 260.548 11.031 1.608521       15.55243  
1 1 1 9   9   4  o 489.573 5.6353 11868.60 272.313 11878.37 385.135 11858.84 385.082 488.950 7.9802 488.545 7.9857 0.4043579      11.28964  
1 1 1 9   9   5  o 80.602  1.3077 320.677  10.404  331.114  14.705  310.216  14.722  81.897  1.8192 79.269  1.8816 2.627502       2.617205  
1 1 1 9   9   6  o 449.276 6.6637 10004.30 295.502 8486.60  863.997 10205.35 314.466 405.092 21.687 453.661 7.0228 -48.56934      22.79594  
1 1 1 9   9   7  o 180.918 3.7531 1617.52  67.020  1635.38  94.784  1599.67  94.777  181.794 5.2823 179.793 5.3407 2.001419       7.511723  
1 1 1 9   9   8  o 175.024 2.3684 1512.64  40.915  1474.45  60.645  1544.55  55.430  172.741 3.5569 176.822 3.1760 -4.080460      4.768459  
1 1 1 9   9   9  o 118.334 1.8544 691.315  21.659  672.468  30.661  710.089  30.601  116.688 2.6622 119.910 2.5855 -3.222092      3.711045  
1 1 1 9   9   10 o 159.181 2.1709 1251.15  34.108  1205.74  48.226  1296.60  48.247  156.222 3.1275 162.007 3.0172 -5.784973      4.345679  
1 1 1 9   9   11 o 256.482 3.3727 3250.95  85.383  3275.97  120.780 3225.96  120.720 257.294 4.7559 255.317 4.7903 1.976669       6.750247  
1 1 1 9   9   12 o 51.573  1.5310 131.305  7.7934  115.058  10.960  147.922  11.084  48.267  2.3005 54.732  2.0517 -6.464916      3.082527  
1 1 1 9   9   13 o 107.195 1.7073 567.339  18.065  578.539  25.807  556.578  25.295  108.224 2.4159 106.150 2.4143 2.073799       3.415453  
1 1 1 9   9   14 o 96.163  6.1297 461.118  57.878  470.374  81.776  451.828  81.927  96.637  8.6654 94.651  8.8730 1.986198       12.40237  
1 1 1 9   9   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   9   16 o 82.370  1.6599 335.029  13.496  294.514  18.838  377.753  19.344  77.202  2.4721 87.444  2.2412 -10.24156      3.336810  
1 1 1 9   9   17 o 139.076 2.1085 955.491  28.944  951.588  40.476  959.576  41.406  138.727 2.9560 139.303 3.0114 -0.5760803     4.219773  
1 1 1 9   9   18 o 95.948  2.3243 454.894  22.012  451.681  22.842  496.692  82.391  95.604  2.4206 99.159  8.5003 -3.555756      8.838240  
1 1 1 9   9   19 o 71.503  1.8545 252.532  13.088  256.485  18.679  248.719  18.345  72.031  2.6272 70.932  2.6203 1.098564       3.710576  
1 1 1 9   9   20 o 72.369  1.7171 258.668  12.265  261.341  18.876  256.715  16.136  72.704  2.6304 72.075  2.2682 0.6297150      3.473277  
1 1 1 9   9   21 o 42.460  2.3161 89.378   9.6700  113.238  15.005  72.429   12.646  47.723  3.2040 38.095  3.3990 9.627728       4.671046  
1 1 1 9   9   22 o 143.643 2.2460 1020.06  31.843  997.562  45.432  1041.79  44.645  141.917 3.2434 145.048 3.1184 -3.131714      4.499299  
1 1 1 9   9   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   9   24 o 86.446  2.0172 369.643  17.212  373.017  26.054  367.030  22.927  86.714  3.0440 86.063  2.6990 0.6511307      4.068221  
1 1 1 9   9   25 o 70.487  2.1965 246.018  15.282  281.434  23.642  220.600  20.029  75.253  3.1829 66.645  3.0447 8.608261       4.404719  
1 1 1 9   9   26 o 92.346  2.0888 422.266  19.039  408.073  28.167  434.205  25.834  90.588  3.1502 93.518  2.7987 -2.930061      4.213835  
1 1 1 9   9   27 o 73.415  2.9069 267.993  21.064  302.175  66.251  264.149  22.217  75.095  9.1257 72.852  3.0897 2.243553       9.634536  
1 1 1 9   10  0  o 69.462  1.2142 238.182  8.3250  230.848  11.672  245.775  11.877  68.375  1.7295 70.552  1.7056 -2.176430      2.429021  
1 1 1 9   10  1  o 198.372 4.8132 1949.30  94.242  1944.96  108.190 1962.95  191.884 198.033 5.5350 197.907 9.8230 0.1256409      11.27510  
1 1 1 9   10  2  o 167.815 6.6220 1398.88  109.686 1425.96  155.146 1371.81  155.094 168.639 9.3574 165.345 9.5438 3.294510       13.36580  
1 1 1 9   10  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   10  4  o 248.546 2.8711 3051.89  70.436  3006.03  99.512  3097.94  99.710  246.540 4.0894 250.287 4.0362 -3.747360      5.745737  
1 1 1 9   10  5  o 144.656 1.9141 1033.16  27.330  1037.84  38.444  1028.37  38.862  144.953 2.6870 144.288 2.7287 0.6650391      3.829580  
1 1 1 9   10  6  o 103.624 1.4940 530.069  15.281  446.431  21.184  620.792  22.063  95.082  2.2572 112.130 1.9935 -17.04813      3.011474  
1 1 1 9   10  7  o 187.214 6.7766 1738.71  125.224 1748.28  177.101 1729.15  177.085 186.999 9.6278 185.956 9.6815 1.042175       13.65375  
1 1 1 9   10  8  f 307.175 3.2338 4662.19  98.046  4630.84  138.770 4693.44  138.546 305.955 4.5952 308.022 4.5570 -2.067169      6.471635  
1 1 1 9   10  9  o 103.440 1.6046 528.215  16.383  510.847  23.396  544.925  22.948  101.708 2.3305 105.049 2.2132 -3.341026      3.213997  
1 1 1 9   10  10 o 288.789 4.8371 4127.89  137.880 4186.46  194.993 4069.31  194.990 290.420 6.8024 286.304 6.9000 4.115936       9.689310  
1 1 1 9   10  11 o 130.565 1.8683 841.705  24.077  752.681  33.807  933.343  34.299  123.433 2.7748 137.462 2.5279 -14.02952      3.753700  
1 1 1 9   10  12 o 244.561 2.9194 2955.46  70.473  2861.20  99.621  3049.88  99.706  240.468 4.1972 248.290 4.0684 -7.821594      5.845416  
1 1 1 9   10  13 o 139.684 6.3830 969.381  88.004  1013.15  124.442 925.589  124.470 142.085 8.9185 135.668 9.3522 6.416992       12.92301  
1 1 1 9   10  14 o 43.281  6.2261 94.968   25.832  109.854  36.578  80.157   36.487  46.207  8.3264 39.210  9.5225 6.996933       12.64943  
1 1 1 9   10  15 o 170.404 2.6097 1435.01  43.894  1386.42  62.035  1483.73  62.116  167.372 3.7551 173.162 3.6342 -5.789856      5.225728  
1 1 1 9   10  16 o 119.299 1.9117 702.934  22.511  672.938  32.613  730.232  31.111  116.671 2.8320 121.553 2.5931 -4.882179      3.839822  
1 1 1 9   10  17 o 233.844 2.9485 2703.99  68.054  2600.35  96.152  2808.02  96.335  229.077 4.2525 238.083 4.0994 -9.005920      5.906687  
1 1 1 9   10  18 o 51.569  2.1741 131.391  11.066  123.376  15.508  139.708  15.797  49.840  3.1689 53.062  3.0287 -3.222282      4.383448  
1 1 1 9   10  19 o 268.022 3.3716 3555.32  89.196  3444.06  126.122 3666.66  126.162 263.395 4.8512 271.822 4.7023 -8.426849      6.756181  
1 1 1 9   10  20 o 169.846 2.3926 1425.89  40.110  1398.71  56.763  1453.00  56.686  168.084 3.4214 171.326 3.3521 -3.241837      4.789867  
1 1 1 9   10  21 o 61.964  1.9883 189.714  12.161  180.402  17.094  199.258  17.304  60.385  2.8680 63.468  2.7622 -3.083092      3.981825  
1 1 1 9   10  22 o 55.425  7.3678 157.048  39.308  150.932  47.875  169.698  68.860  53.768  9.3611 56.041  12.738 -2.273308      15.80752  
1 1 1 9   10  23 o 34.247  8.9467 62.105   30.575  62.411   44.738  61.837   41.882  34.907  11.342 34.577  10.947 0.3294868      15.76320  
1 1 1 9   10  24 o 76.680  2.1458 290.940  16.241  287.171  25.122  293.646  21.287  76.041  3.3471 76.966  2.8021 -0.9250717     4.365211  
1 1 1 9   10  25 o 88.562  1.9002 388.062  16.611  420.550  27.281  368.921  20.940  92.019  3.0036 86.276  2.4589 5.743187       3.881779  
1 1 1 9   10  26 o 23.870  1.2431 28.229   2.9187  29.480   3.0028  6.8527   12.416  24.393  1.2514 14.843  5.8187 9.550688       5.951699  
1 1 1 9   10  27 o 18.497  6.2392 16.505   13.507  10.971   21.432  20.151   17.396  19.051  7.5885 20.534  7.0778 -1.482256      10.37693  
1 1 1 9   11  0  o 134.921 1.9625 899.032  26.135  783.449  43.819  962.848  32.560  125.850 3.5275 139.605 2.3629 -13.75555      4.245795  
1 1 1 9   11  1  o 105.589 6.1515 555.812  63.834  523.943  90.169  587.830  90.380  101.902 9.0593 108.107 8.5396 -6.204575      12.44973  
1 1 1 9   11  2  f 183.336 6.8106 1671.96  123.244 1711.27  174.324 1632.68  174.263 184.525 9.6044 180.147 9.8376 4.377655       13.74861  
1 1 1 9   11  3  o 72.185  1.7151 257.275  12.220  217.334  16.627  304.194  18.021  66.327  2.5397 78.476  2.3265 -12.14915      3.444258  
1 1 1 9   11  4  o 157.475 1.8370 1224.47  28.554  1149.56  40.362  1299.52  40.400  152.538 2.6808 162.192 2.5236 -9.654129      3.681705  
1 1 1 9   11  5  o 166.513 2.2830 1369.38  37.522  1278.45  52.958  1461.03  53.170  160.822 3.3362 171.939 3.1330 -11.11694      4.576666  
1 1 1 9   11  6  o 261.801 3.1593 3387.20  81.639  3406.23  118.208 3369.85  112.885 262.341 4.5651 260.965 4.3825 1.375397       6.328213  
1 1 1 9   11  7  o 175.003 2.2651 1512.49  39.125  1510.54  55.513  1514.42  55.152  174.829 3.2170 175.055 3.1919 -0.2259216     4.531811  
1 1 1 9   11  8  o 264.723 9.0164 3496.13  235.590 3387.47  408.001 3550.48  288.556 257.082 16.161 266.080 10.987 -8.998260      19.54230  
1 1 1 9   11  9  o 137.928 2.2472 939.519  30.593  965.233  45.631  918.521  41.234  139.746 3.3081 136.337 3.0641 3.408844       4.509158  
1 1 1 9   11  10 o 103.877 1.5537 532.709  15.930  529.754  22.990  535.439  22.093  103.569 2.2489 104.126 2.1496 -0.5574570     3.111040  
1 1 1 9   11  11 o 139.087 1.9536 955.278  26.819  934.558  37.951  975.948  37.905  137.528 2.7958 140.544 2.7325 -3.016235      3.909290  
1 1 1 9   11  12 o 179.362 3.0081 1590.06  53.255  1552.34  75.302  1627.79  75.326  177.083 4.3082 181.348 4.2082 -4.264938      6.022422  
1 1 1 9   11  13 o 99.428  6.1057 492.981  59.631  468.189  84.257  517.859  84.405  96.307  8.9668 101.434 8.5091 -5.127296      12.36151  
1 1 1 9   11  14 f 94.679  1.6154 442.621  15.096  415.970  21.238  469.840  21.463  91.758  2.3449 97.524  2.2297 -5.765739      3.235768  
1 1 1 9   11  15 o 69.998  1.8057 241.980  12.476  227.333  17.946  255.680  17.356  67.819  2.6809 71.932  2.4445 -4.113304      3.628026  
1 1 1 9   11  16 o 129.395 2.0432 827.070  26.096  815.336  37.144  838.507  36.670  128.410 2.9306 130.228 2.8528 -1.818375      4.089859  
1 1 1 9   11  17 o 76.164  1.6909 286.484  12.712  279.994  18.213  292.648  17.750  75.269  2.4515 76.956  2.3368 -1.687035      3.386862  
1 1 1 9   11  18 o 75.146  1.7513 278.895  12.990  274.143  18.620  283.401  18.130  74.472  2.5332 75.724  2.4256 -1.252060      3.507220  
1 1 1 9   11  19 o 98.830  2.4172 482.779  23.580  583.330  88.137  475.027  24.472  107.428 8.3783 98.027  2.5292 9.401413       8.751752  
1 1 1 9   11  20 o 175.846 2.4446 1528.63  42.430  1477.51  60.065  1579.55  59.947  172.724 3.5232 178.610 3.4004 -5.886078      4.896447  
1 1 1 9   11  21 o 169.308 6.8062 1435.27  113.741 1482.10  159.670 1387.02  162.065 170.641 9.5179 164.796 10.011 5.845764       13.81329  
1 1 1 9   11  22 o 11.263  4.7990 -0.0822  9.3805  4.3625   12.825  -5.1951  13.756  14.366  5.8184 12.465  5.5481 1.901241       8.039614  
1 1 1 9   11  23 o 91.000  1.9087 409.363  17.144  447.405  27.715  385.784  21.820  95.024  2.9550 88.287  2.5039 6.736641       3.873164  
1 1 1 9   11  24 o 59.349  1.5531 174.077  9.0983  185.691  13.147  163.402  12.604  61.256  2.1744 57.458  2.2224 3.797321       3.109210  
1 1 1 9   11  25 o 97.550  1.8377 470.786  17.694  444.826  25.409  495.230  24.655  94.684  2.7188 99.946  2.4992 -5.261940      3.692961  
1 1 1 9   11  26 o 29.948  1.8117 44.543   5.3302  45.986   5.5198  24.608   20.513  30.427  1.8467 22.512  7.6885 7.915245       7.907143  
1 1 1 9   11  27 o 65.413  1.9352 211.902  12.495  196.049  25.344  216.992  14.361  62.403  4.1382 66.160  2.1992 -3.757423      4.686239  
1 1 1 9   12  0  o 97.202  1.7006 466.550  16.316  494.878  20.384  416.043  27.218  100.095 2.0632 91.734  3.0060 8.361732       3.645944  
1 1 1 9   12  1  o 12.852  4.8684 5.7986   8.4841  5.7053   11.458  5.9120   12.623  14.201  5.5825 14.785  5.8444 -0.5844927     8.082118  
1 1 1 9   12  2  o 139.653 6.3926 969.981  88.116  980.510  124.624 959.454  124.607 139.577 9.0957 138.034 9.1985 1.543198       12.93615  
1 1 1 9   12  3  o 177.811 2.2440 1561.79  39.383  1485.35  55.723  1638.09  55.669  173.316 3.2573 182.026 3.0984 -8.710129      4.495605  
1 1 1 9   12  4  o 212.538 2.6204 2232.05  54.973  2171.15  77.825  2292.69  77.661  209.484 3.7639 215.284 3.6547 -5.799225      5.246335  
1 1 1 9   12  5  o 91.285  1.4074 411.385  12.681  402.854  18.168  419.489  17.708  90.317  2.0380 92.166  1.9465 -1.848694      2.818249  
1 1 1 9   12  6  o 124.402 1.6900 764.114  20.751  807.049  30.710  728.039  28.150  127.817 2.4342 121.403 2.3492 6.413712       3.382921  
1 1 1 9   12  7  o 142.388 1.9629 1001.19  27.587  991.193  39.121  1011.08  38.909  141.630 2.7985 143.047 2.7557 -1.416565      3.927539  
1 1 1 9   12  8  o 53.855  1.6188 143.198  8.6048  136.166  12.144  150.290  12.195  52.504  2.3433 55.162  2.2397 -2.657867      3.241497  
1 1 1 9   12  9  o 128.272 2.2792 812.696  28.856  821.060  30.006  709.809  105.244 128.926 2.3580 118.816 9.0420 10.11050       9.344349  
1 1 1 9   12  10 o 136.662 1.8525 922.252  24.988  896.159  35.305  948.443  35.372  134.675 2.6559 138.552 2.5865 -3.877121      3.707271  
1 1 1 9   12  11 o 145.475 1.9520 1045.12  28.029  1037.68  39.786  1052.45  39.494  144.906 2.7817 145.936 2.7418 -1.030258      3.905807  
1 1 1 9   12  12 o 94.436  6.0856 444.954  56.423  433.944  79.688  456.024  79.900  92.703  8.8151 95.101  8.6051 -2.398460      12.31888  
1 1 1 9   12  13 o 55.671  5.9520 155.750  32.199  141.913  45.306  169.872  45.770  52.481  9.0746 57.716  8.2709 -5.234589      12.27830  
1 1 1 9   12  14 o 193.749 2.7232 1855.53  52.078  1821.82  73.753  1889.05  73.545  191.822 3.8954 195.343 3.8144 -3.520340      5.451908  
1 1 1 9   12  15 o 111.747 1.9432 616.807  21.434  603.750  30.314  629.860  30.310  110.509 2.7792 112.877 2.7204 -2.368294      3.889029  
1 1 1 9   12  16 o 137.165 1.9970 929.397  27.036  910.228  38.351  948.335  38.120  135.676 2.8638 138.493 2.7886 -2.817886      3.997218  
1 1 1 9   12  17 o 100.460 2.0098 498.567  19.928  484.838  33.512  506.078  24.788  98.972  3.4304 101.187 2.4818 -2.214989      4.234092  
1 1 1 9   12  18 o 64.433  2.0910 205.125  13.298  195.848  16.457  222.581  22.574  62.938  2.6491 66.968  3.4266 -4.029964      4.331204  
1 1 1 9   12  19 o 71.719  1.8167 254.079  12.860  249.665  18.443  258.257  17.941  71.058  2.6295 72.276  2.5149 -1.218170      3.638576  
1 1 1 9   12  20 o 68.622  2.1497 232.716  14.560  311.870  61.654  228.041  14.984  78.342  8.0897 67.925  2.2349 10.41634       8.392748  
1 1 1 9   12  21 o 86.080  6.2596 372.315  52.820  399.577  74.609  344.921  74.789  88.498  8.6520 81.913  9.4218 6.585327       12.79170  
1 1 1 9   12  22 o 81.783  1.8122 330.509  14.629  352.302  19.305  301.122  22.418  84.402  2.3174 77.984  2.9124 6.418060       3.721876  
1 1 1 9   12  23 o 152.724 2.3837 1154.26  35.933  1155.79  52.968  1152.96  48.908  152.580 3.5171 152.459 3.2501 0.1211700      4.788844  
1 1 1 9   12  24 o 40.939  3.0272 83.624   12.146  82.054   18.523  84.808   16.086  40.230  4.7567 41.061  4.0207 -0.8308449     6.228364  
1 1 1 9   12  25 o 78.617  2.9469 307.044  22.867  312.737  35.484  303.000  29.906  78.851  4.5789 77.908  3.8890 0.9427185      6.007568  
1 1 1 9   12  26 o 31.437  1.2026 48.836   3.7316  51.984   5.3939  45.946   5.1680  32.371  1.6941 30.424  1.7281 1.946840       2.419943  
1 1 1 9   12  27 o 21.671  5.5770 24.760   11.999  18.358   18.563  29.356   15.726  20.193  7.2808 23.541  6.5360 -3.348381      9.784117  
1 1 1 9   13  0  o 131.633 1.7468 855.684  22.696  865.619  32.428  846.145  31.775  132.352 2.4824 130.856 2.4601 1.495682       3.494905  
1 1 1 9   13  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   13  2  o 230.299 7.3909 2646.79  168.005 2594.87  237.538 2698.75  237.650 226.699 10.616 231.293 10.410 -4.593567      14.86801  
1 1 1 9   13  3  o 117.740 1.6172 684.508  18.794  666.724  26.687  702.009  26.473  116.167 2.3274 119.206 2.2499 -3.038635      3.237154  
1 1 1 9   13  4  o 146.910 1.9701 1065.96  28.568  1032.72  38.854  1105.07  42.150  144.551 2.7232 149.517 2.8561 -4.966568      3.946276  
1 1 1 9   13  5  o 156.175 1.8316 1204.51  28.234  1166.12  39.915  1242.94  39.942  153.613 2.6325 158.598 2.5515 -4.985596      3.666108  
1 1 1 9   13  6  o 72.697  1.3429 260.910  9.6358  254.458  13.209  268.249  14.088  71.782  1.8643 73.699  1.9366 -1.917656      2.688165  
1 1 1 9   13  7  o 67.642  1.4275 225.891  9.5305  203.970  13.211  249.677  13.762  64.262  2.0828 71.102  1.9609 -6.839859      2.860678  
1 1 1 9   13  8  o 192.566 2.2927 1831.84  43.577  1738.47  64.320  1911.06  59.247  187.475 3.4759 196.611 3.0530 -9.135910      4.626310  
1 1 1 9   13  9  o 80.988  1.3900 323.819  11.111  327.093  15.643  320.485  15.786  81.382  1.9474 80.555  1.9854 0.8273087      2.781019  
1 1 1 9   13  10 o 45.742  2.4720 103.684  11.119  105.901  11.700  82.974   35.756  46.222  2.5746 39.896  9.2585 6.325825       9.609805  
1 1 1 9   13  11 o 214.976 8.3212 2312.28  176.568 2311.45  216.274 2313.94  305.757 214.193 10.230 211.553 14.735 2.639282       17.93774  
1 1 1 9   13  12 o 99.283  6.1306 492.105  59.783  483.652  84.568  500.548  84.523  97.817  8.8551 99.567  8.6876 -1.750145      12.40512  
1 1 1 9   13  13 o 86.822  1.3177 372.160  11.292  356.622  15.891  388.010  16.050  84.973  1.8947 88.636  1.8346 -3.662827      2.637333  
1 1 1 9   13  14 f 154.992 2.1158 1186.78  32.369  1182.52  45.932  1190.99  45.622  154.631 3.0094 155.188 2.9784 -0.5563354     4.234078  
1 1 1 9   13  15 o 146.275 2.2305 1057.22  32.203  990.495  43.929  1134.74  47.349  141.500 3.1453 151.451 3.1674 -9.951004      4.463753  
1 1 1 9   13  16 o 91.410  1.6728 412.663  15.093  441.620  21.338  383.670  21.351  94.534  2.2868 88.105  2.4552 6.429314       3.355202  
1 1 1 9   13  17 o 24.697  3.5694 30.823   8.4487  27.667   12.314  33.630   11.613  23.127  5.4787 25.623  4.7674 -2.495506      7.262510  
1 1 1 9   13  18 o 196.807 2.6848 1915.35  52.155  1939.50  74.116  1891.65  73.405  197.849 3.7953 195.391 3.8062 2.458145       5.375052  
1 1 1 9   13  19 o 89.268  1.7998 393.645  15.858  424.395  23.822  369.174  21.251  92.641  2.6052 86.411  2.4916 6.229767       3.604812  
1 1 1 9   13  20 o 145.443 9.4040 1077.38  134.279 1036.79  189.472 1118.33  190.329 140.156 13.879 145.943 13.361 -5.787094      19.26464  
1 1 1 9   13  21 o 31.243  7.1146 50.937   21.449  52.260   30.274  49.605   30.393  31.704  9.1598 31.004  9.2386 0.7002583      13.00974  
1 1 1 9   13  22 o 128.922 2.2449 821.995  28.567  805.474  40.297  838.685  40.503  127.482 3.2025 130.092 3.1543 -2.609879      4.495082  
1 1 1 9   13  23 o 75.297  2.0992 280.443  15.601  293.628  23.243  269.631  21.047  76.949  3.0603 73.756  2.8911 3.192390       4.209966  
1 1 1 9   13  24 o 13.523  1.8514 9.2122   2.4062  9.4635   2.4347  -1.3269  15.767  13.710  1.8461 14.215  6.1417 -0.5055466     6.413127  
1 1 1 9   13  25 o 39.431  3.1392 77.819   12.116  96.773   18.851  64.474   15.817  43.725  4.4289 35.560  4.6151 8.165527       6.396426  
1 1 1 9   13  26 o 30.734  1.1921 46.678   3.6164  44.583   5.2725  48.539   4.9696  29.960  1.7912 31.283  1.6150 -1.323435      2.411738  
1 1 1 9   13  27 o 45.372  7.0643 108.841  30.607  103.239  42.022  115.172  44.669  42.820  10.105 45.207  10.247 -2.386986      14.39177  
1 1 1 9   14  0  o 184.457 3.9422 1685.17  71.774  1716.88  79.055  1536.40  171.223 186.121 4.3033 174.180 10.001 11.94115       10.88780  
1 1 1 9   14  1  o 64.379  6.1202 208.071  38.422  196.083  54.168  220.210  54.509  61.827  9.1529 65.724  8.6095 -3.897408      12.56581  
1 1 1 9   14  2  o 83.375  1.5219 343.241  12.525  316.338  18.098  367.967  17.350  80.015  2.2916 86.309  2.0367 -6.293495      3.065848  
1 1 1 9   14  3  o 172.393 2.3649 1468.51  40.242  1451.67  67.411  1477.82  50.160  171.210 3.9890 172.882 2.9395 -1.672104      4.955095  
1 1 1 9   14  4  f 133.433 1.8331 879.314  24.142  889.014  34.448  869.952  33.844  134.117 2.6022 132.673 2.5845 1.444321       3.667543  
1 1 1 9   14  5  o 120.331 1.4651 714.918  17.401  723.311  24.758  706.724  24.462  121.007 2.0728 119.611 2.0720 1.395477       2.930834  
1 1 1 9   14  6  o 91.462  1.3230 412.994  11.944  369.090  17.028  455.512  16.757  86.443  1.9957 96.040  1.7677 -9.597336      2.666014  
1 1 1 9   14  7  o 62.118  1.2529 190.497  7.6819  171.493  9.3953  228.824  13.343  58.932  1.6152 68.064  1.9860 -9.131744      2.559936  
1 1 1 9   14  8  o 183.954 2.2618 1671.84  41.067  1612.03  58.049  1731.76  58.107  180.528 3.2578 187.126 3.1460 -6.598236      4.528836  
1 1 1 9   14  9  o 121.856 1.6747 733.264  20.143  729.121  28.656  737.310  28.319  121.473 2.3900 122.156 2.3487 -0.6828156     3.350901  
1 1 1 9   14  10 o 48.582  6.0141 119.147  28.222  91.235   39.743  147.540  40.084  41.745  9.8113 53.789  7.7756 -12.04467      12.51885  
1 1 1 9   14  11 o 172.570 6.7037 1484.55  114.186 1461.68  161.423 1507.46  161.543 170.068 9.6561 172.780 9.5090 -2.711487      13.55221  
1 1 1 9   14  12 o 189.202 2.3468 1768.93  43.826  1732.75  62.063  1804.91  61.896  187.132 3.3601 191.000 3.2832 -3.868011      4.697817  
1 1 1 9   14  13 o 131.102 2.0560 849.110  26.605  849.638  37.936  848.599  37.321  131.074 2.9323 130.998 2.8864 0.7595825E-01  4.114526  
1 1 1 9   14  14 o 109.748 1.8451 594.932  19.987  605.073  28.201  584.696  28.331  110.635 2.5825 108.752 2.6394 1.882851       3.692600  
1 1 1 9   14  15 o 43.984  2.1061 95.584   9.1433  100.445  13.375  91.319   12.528  44.959  3.0316 42.864  2.9797 2.095348       4.250756  
1 1 1 9   14  16 o 61.090  1.8744 184.354  11.303  199.457  17.402  173.334  14.865  63.507  2.7761 59.212  2.5434 4.294773       3.765048  
1 1 1 9   14  17 o 148.649 2.1985 1091.98  32.257  1143.44  46.168  1042.91  45.087  152.012 3.0770 145.168 3.1466 6.844406       4.401059  
1 1 1 9   14  18 o 24.839  1.2143 30.461   2.9772  36.583   4.3180  24.914   4.1104  27.168  1.6176 22.378  1.8783 4.789547       2.478825  
1 1 1 9   14  19 o 56.971  6.3034 164.083  34.852  177.667  49.263  150.470  49.314  58.698  8.7720 53.682  9.6621 5.015450       13.05008  
1 1 1 9   14  20 o 48.338  6.5178 118.999  30.304  119.249  42.499  118.741  43.223  47.678  9.3649 47.529  9.5449 0.1496964      13.37190  
1 1 1 9   14  21 f 64.867  2.3330 208.096  14.937  223.835  22.547  195.786  19.941  67.110  3.4152 62.777  3.2291 4.332546       4.700076  
1 1 1 9   14  22 o 157.508 3.3211 1230.50  51.632  1207.22  54.761  1416.88  154.953 155.954 3.5575 165.831 9.5064 -9.877029      10.15022  
1 1 1 9   14  23 o 31.653  1.3947 49.501   4.3574  50.767   4.5591  36.137   14.811  32.054  1.4410 26.308  5.8547 5.746334       6.029377  
1 1 1 9   14  24 o 83.125  2.2330 342.211  18.322  331.446  27.476  350.829  24.586  81.617  3.4107 84.054  2.9634 -2.436378      4.518226  
1 1 1 9   14  25 o 56.937  1.8265 160.451  10.265  163.877  12.283  152.521  18.688  57.509  2.1639 55.207  3.4468 2.302280       4.069775  
1 1 1 9   14  26 f 30.825  4.4482 48.707   13.142  62.156   18.028  33.455   19.199  34.613  5.4578 25.101  7.3066 9.511728       9.120015  
1 1 1 9   14  27 o 75.837  6.5379 298.776  48.461  279.537  67.584  319.135  69.525  71.140  9.8926 76.438  9.4140 -5.298111      13.65602  
1 1 1 9   15  0  o 112.290 6.3007 630.584  69.551  632.325  98.352  628.842  98.369  111.690 8.9978 111.370 9.0262 0.3197937      12.74493  
1 1 1 9   15  1  o 166.222 6.6925 1378.65  109.802 1379.83  155.227 1377.47  155.342 165.097 9.5666 164.948 9.5826 0.1488495      13.54058  
1 1 1 9   15  2  o 109.318 1.4982 590.097  16.166  609.069  23.550  573.192  22.230  111.030 2.1489 107.714 2.0910 3.316589       2.998324  
1 1 1 9   15  3  o 144.884 1.9211 1036.86  27.473  1048.48  39.140  1025.58  38.572  145.630 2.7230 144.031 2.7132 1.598663       3.843969  
1 1 1 9   15  4  o 122.128 1.8170 736.670  21.903  694.751  31.019  778.356  30.933  118.551 2.6509 125.493 2.4973 -6.942116      3.641888  
1 1 1 9   15  5  o 117.220 1.6808 678.572  19.447  687.598  27.886  670.026  27.134  117.957 2.3951 116.442 2.3609 1.514755       3.363082  
1 1 1 9   15  6  o 321.206 4.0882 5111.66  129.612 5172.38  163.874 5010.20  211.816 322.743 5.1442 316.931 6.7711 5.811584       8.503590  
1 1 1 9   15  7  o 98.948  1.3911 483.409  13.586  482.155  19.546  484.581  18.897  98.796  2.0045 99.047  1.9330 -0.2514496     2.784644  
1 1 1 9   15  8  f 96.837  1.6139 463.081  15.426  466.659  22.084  459.672  21.557  97.180  2.3024 96.452  2.2643 0.7282944      3.229271  
1 1 1 9   15  9  o 60.006  2.0110 177.872  11.911  168.775  17.687  185.420  16.112  58.332  3.0829 61.243  2.6653 -2.911236      4.075344  
1 1 1 9   15  10 o 109.692 6.1782 601.144  66.619  626.045  94.349  576.385  94.077  111.307 8.6559 106.667 9.0201 4.640083       12.50144  
1 1 1 9   15  11 o 60.912  1.9389 183.277  11.657  182.830  20.858  183.480  14.058  60.674  3.4977 60.933  2.3374 -0.2586555     4.206847  
1 1 1 9   15  12 o 144.473 2.1724 1031.33  30.978  1033.22  44.163  1029.49  43.465  144.517 3.0960 144.261 3.0525 0.2557526      4.347791  
1 1 1 9   15  13 o 35.004  1.0846 60.487   3.7473  69.490   5.3442  51.779   5.2557  37.514  1.4433 32.337  1.6521 5.176556       2.193786  
1 1 1 9   15  14 o 45.681  1.5844 103.054  7.1438  98.779   8.6091  112.504  12.801  44.716  1.9506 47.620  2.7349 -2.903873      3.359272  
1 1 1 9   15  15 o 87.905  1.7400 381.680  15.097  419.796  22.008  347.800  20.749  92.154  2.4196 83.875  2.5063 8.278641       3.483657  
1 1 1 9   15  16 o 62.898  1.8837 195.442  11.695  216.236  18.087  180.503  15.330  66.120  2.7713 60.419  2.5707 5.700306       3.780032  
1 1 1 9   15  17 o 155.106 2.2851 1189.17  34.984  1252.17  50.310  1130.19  48.680  159.041 3.2049 151.087 3.2643 7.953995       4.574594  
1 1 1 9   15  18 o 86.636  2.5319 371.178  21.651  391.076  32.542  355.375  29.001  88.824  3.7118 84.696  3.4691 4.127998       5.080522  
1 1 1 9   15  19 o 185.936 8.0459 1743.90  147.663 1847.99  255.852 1691.91  180.817 186.966 13.965 181.753 10.119 5.212524       17.24588  
1 1 1 9   15  20 o 78.914  1.8221 307.717  14.193  289.043  20.585  324.637  19.595  76.423  2.7289 81.014  2.4505 -4.590851      3.667689  
1 1 1 9   15  21 o 62.155  1.7900 190.917  10.982  200.987  14.295  176.413  17.155  63.747  2.2719 59.681  2.9122 4.066059       3.693536  
1 1 1 9   15  22 o 142.822 2.3686 1009.54  33.390  1005.90  48.306  1012.88  46.206  142.342 3.4382 142.874 3.2765 -0.5322266     4.749436  
1 1 1 9   15  23 o 56.929  1.5744 160.190  8.8467  154.514  12.737  165.481  12.297  55.862  2.3100 57.823  2.1546 -1.961040      3.158878  
1 1 1 9   15  24 o 96.785  1.9764 463.696  18.881  487.264  27.518  442.732  25.953  99.061  2.8143 94.432  2.7845 4.629128       3.958997  
1 1 1 9   15  25 o 46.712  1.2557 107.842  5.7894  82.795   17.148  111.065  6.1506  40.379  4.3723 47.401  1.3146 -7.022114      4.565616  
1 1 1 9   15  26 o 96.180  6.5815 478.748  62.105  479.070  88.246  478.432  87.419  93.767  9.6737 93.790  9.5776 -0.2285767E-01 13.61290  
1 1 1 9   15  27 o 32.000  3.9030 52.144   12.072  57.945   18.566  47.894   15.890  33.168  5.8867 30.193  5.5360 2.975241       8.080916  
1 1 1 9   16  0  o 50.553  6.4366 129.686  31.388  134.220  44.368  125.144  44.412  50.774  9.1913 48.899  9.5444 1.875626       13.25050  
1 1 1 9   16  1  o 174.221 2.2812 1500.17  39.228  1566.10  55.867  1436.06  55.095  177.885 3.1819 170.325 3.2772 7.560349       4.567734  
1 1 1 9   16  2  o 86.074  1.5257 365.867  12.962  378.733  19.312  355.318  17.487  87.544  2.2350 84.801  2.0891 2.742218       3.059377  
1 1 1 9   16  3  o 51.328  1.6823 130.118  8.5229  130.499  13.150  129.842  11.192  51.311  2.6049 51.260  2.2120 0.5121994E-01  3.417424  
1 1 1 9   16  4  o 129.746 1.7842 831.463  22.849  834.486  32.715  828.585  31.925  129.926 2.5511 129.470 2.4982 0.4557343      3.570568  
1 1 1 9   16  5  o 79.003  1.5245 308.210  11.888  305.692  17.723  310.270  16.028  78.651  2.2830 79.248  2.0491 -0.5969925     3.067744  
1 1 1 9   16  6  o 183.198 2.5420 1659.05  45.965  1690.31  65.429  1628.59  64.588  184.766 3.5877 181.358 3.6082 3.408325       5.088243  
1 1 1 9   16  7  o 136.025 1.9645 914.043  26.375  931.425  38.233  898.260  36.432  137.240 2.8225 134.783 2.7386 2.457443       3.932677  
1 1 1 9   16  8  f 111.666 1.5878 615.776  17.501  581.845  24.651  650.255  24.849  108.507 2.3017 114.715 2.1946 -6.208649      3.180261  
1 1 1 9   16  9  o 113.266 6.2324 641.403  69.409  640.291  98.168  642.514  98.149  112.417 8.9205 112.619 8.9022 -0.2018585     12.60252  
1 1 1 9   16  10 o 176.133 3.3640 1535.59  58.483  1580.74  90.641  1503.39  76.548  178.348 5.1490 174.081 4.4550 4.266846       6.808773  
1 1 1 9   16  11 o 39.911  2.1390 78.935   8.3955  80.377   13.523  78.031   10.709  40.146  3.4462 39.628  2.7551 0.5184669      4.412087  
1 1 1 9   16  12 o 118.194 2.5817 690.693  30.119  0.0000   0.0000  690.693  30.119  ?       ?      118.194 2.5817 0.000000       2.581724  
1 1 1 9   16  13 o 87.388  1.6341 377.171  14.095  395.882  20.307  359.776  19.580  89.497  2.2988 85.317  2.3251 4.180191       3.269678  
1 1 1 9   16  14 o 159.788 2.2191 1261.86  34.998  1251.60  50.046  1271.69  48.962  159.016 3.1885 160.300 3.0945 -1.284805      4.443298  
1 1 1 9   16  15 o 47.303  1.2679 110.483  5.9197  117.047  8.5505  104.440  8.2036  48.677  1.7797 45.980  1.8076 2.696903       2.536649  
1 1 1 9   16  16 o 120.588 1.9711 718.523  23.462  747.082  34.181  693.080  32.262  122.884 2.8181 118.365 2.7614 4.518723       3.945500  
1 1 1 9   16  17 o 93.625  1.8158 433.064  16.780  422.152  24.594  442.568  22.952  92.377  2.6973 94.604  2.4580 -2.226433      3.649317  
1 1 1 9   16  18 o 87.979  6.1621 388.860  53.173  363.608  75.038  414.326  75.357  84.155  9.1829 90.104  8.5767 -5.948906      12.56525  
1 1 1 9   16  19 o 52.384  1.8889 135.608  9.7668  164.673  23.098  129.280  10.778  57.440  4.1011 51.138  2.1352 6.301800       4.623674  
1 1 1 9   16  20 o 83.495  2.1238 344.697  17.503  333.733  25.969  353.823  23.692  82.058  3.2063 84.531  2.8396 -2.472519      4.282942  
1 1 1 9   16  21 o 98.709  2.0786 481.851  20.252  499.481  30.631  468.159  26.994  100.374 3.0918 97.214  2.8132 3.160080       4.180099  
1 1 1 9   16  22 o 79.786  2.1904 315.027  17.250  317.305  25.959  313.225  23.084  79.937  3.2901 79.470  2.9429 0.4667435      4.414218  
1 1 1 9   16  23 o 113.793 2.8342 642.636  31.834  786.758  105.910 628.323  33.377  122.717 8.8022 112.479 3.0064 10.23819       9.301495  
1 1 1 9   16  24 o 17.660  6.6809 11.996   15.964  -3.2831  34.586  16.132   17.996  20.506  8.9744 19.454  7.1449 1.052132       11.47127  
1 1 1 9   16  25 o 47.940  6.9012 120.914  31.715  124.231  44.987  117.637  44.717  47.143  9.9790 45.751  10.166 1.391239       14.24543  
1 1 1 9   16  26 o 57.050  2.8996 162.527  16.274  157.137  27.887  165.310  20.041  55.400  5.1593 57.370  3.5566 -1.970806      6.266390  
1 1 1 9   16  27 o 41.256  2.0228 84.430   8.2370  80.146   9.1963  101.811  18.523  40.095  2.3339 44.729  4.2465 -4.633846      4.845559  
1 1 1 9   17  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   17  1  o 67.594  1.4094 225.640  9.4032  236.007  14.791  218.608  12.182  69.098  2.1688 66.516  1.8554 2.581558       2.854148  
1 1 1 9   17  2  o 148.982 2.7122 1097.92  39.884  1157.82  136.236 1092.30  41.711  150.930 9.1887 148.583 2.8441 2.346268       9.618844  
1 1 1 9   17  3  o 66.211  1.5654 216.509  10.230  229.663  15.871  207.160  13.381  68.161  2.3591 64.747  2.0937 3.413940       3.154182  
1 1 1 9   17  4  o 49.435  1.8054 120.718  8.8091  106.199  12.911  133.365  12.050  46.248  2.8421 51.943  2.3502 -5.694683      3.687969  
1 1 1 9   17  5  o 50.212  1.8227 124.543  9.0334  114.182  13.259  133.520  12.341  47.965  2.8129 51.972  2.4057 -4.007027      3.701334  
1 1 1 9   17  6  o 126.407 1.4936 789.070  18.636  804.310  26.911  775.028  25.831  127.580 2.1371 125.240 2.0896 2.340393       2.988925  
1 1 1 9   17  7  o 124.147 1.8530 761.358  22.706  755.721  32.457  766.761  31.775  123.623 2.6600 124.530 2.5851 -0.9064484     3.709245  
1 1 1 9   17  8  o 150.796 9.3978 1154.13  139.183 1118.37  196.959 1189.81  196.711 146.126 13.820 151.050 13.331 -4.924606      19.20145  
1 1 1 9   17  9  o 130.086 4.0360 839.005  51.822  839.005  51.822  0.0000   0.0000  130.086 4.0360 ?       ?      0.000000       4.036019  
1 1 1 9   17  10 o 157.390 2.5413 1224.80  39.480  1265.76  53.629  1176.34  58.333  159.883 3.3983 154.063 3.8360 5.820251       5.124815  
1 1 1 9   17  11 o 64.210  1.1511 203.554  7.2953  196.287  10.326  210.796  10.308  63.040  1.6595 65.331  1.5986 -2.290325      2.304218  
1 1 1 9   17  12 o 66.077  1.6715 215.657  10.901  230.396  16.545  204.350  14.492  68.264  2.4555 64.298  2.2835 3.966499       3.353208  
1 1 1 9   17  13 o 42.205  2.8146 88.512   11.658  107.645  39.267  86.662   12.208  45.374  9.0846 41.742  2.9827 3.631424       9.561710  
1 1 1 9   17  14 o 63.389  1.5556 198.453  9.7330  211.672  14.080  186.355  13.470  65.442  2.1798 61.402  2.2225 4.039967       3.113009  
1 1 1 9   17  15 o 72.239  1.9008 257.849  13.553  274.149  17.524  233.583  21.381  74.462  2.3843 68.685  3.1538 5.777580       3.953600  
1 1 1 9   17  16 f 94.598  2.0900 442.303  19.514  442.654  24.791  441.731  31.642  94.592  2.6552 94.422  3.3951 0.1709747      4.310097  
1 1 1 9   17  17 o 84.981  6.2206 363.247  51.816  372.253  73.526  354.362  73.033  85.224  8.8707 83.066  9.0543 2.157646       12.67552  
1 1 1 9   17  18 o 124.353 2.7429 765.377  33.666  776.656  48.368  754.778  46.888  125.077 3.9179 123.315 3.8522 1.762085       5.494493  
1 1 1 9   17  19 o 80.968  1.7053 323.935  13.628  312.730  19.468  334.703  19.084  79.501  2.4810 82.257  2.3505 -2.756401      3.417613  
1 1 1 9   17  20 o 41.276  1.8591 84.220   7.5743  92.000   18.730  82.699   8.2817  42.741  4.5077 40.843  2.0610 1.898621       4.956525  
1 1 1 9   17  21 o 25.751  1.4918 32.875   3.7756  42.242   5.3358  23.483   5.3431  29.169  1.8630 21.626  2.5523 7.543226       3.159878  
1 1 1 9   17  22 o 38.297  3.8212 73.784   14.252  73.079   18.805  74.735   21.845  37.817  5.1736 38.032  6.0196 -0.2143097     7.937372  
1 1 1 9   17  23 o 37.563  3.4502 70.871   12.649  77.186   24.812  68.653   14.703  38.331  6.8074 36.829  4.1150 1.501423       7.954509  
1 1 1 9   17  24 o 41.428  10.513 97.076   43.059  104.170  59.444  89.243   62.458  42.057  13.001 39.371  13.416 2.685677       18.68223  
1 1 1 9   17  25 o 32.579  7.8357 57.967   24.889  61.474   34.012  53.925   36.519  33.134  9.7481 31.347  10.250 1.787169       14.14525  
1 1 1 9   17  26 o 25.011  1.5142 31.069   3.7204  32.363   5.5050  29.982   5.0477  25.438  2.2146 24.493  2.1085 0.9450912      3.057776  
1 1 1 9   17  27 o 70.369  2.5687 246.608  17.842  244.721  26.597  248.152  24.057  69.594  3.8875 70.330  3.4655 -0.7354202     5.207946  
1 1 1 9   18  0  o 92.430  3.1043 423.681  28.321  423.681  28.321  0.0000   0.0000  92.430  3.1043 ?       ?      0.000000       3.104275  
1 1 1 9   18  1  o 49.860  1.6798 122.845  8.2669  105.398  11.370  142.413  12.041  46.081  2.5092 53.657  2.2736 -7.576092      3.386052  
1 1 1 9   18  2  o 100.860 1.6422 502.567  16.348  474.786  23.066  530.609  23.174  97.975  2.3852 103.586 2.2665 -5.610863      3.290319  
1 1 1 9   18  3  o 73.207  2.0836 264.898  15.056  335.808  65.648  260.961  15.468  81.102  8.3186 72.657  2.1569 8.444748       8.593687  
1 1 1 9   18  4  o 74.975  1.6933 277.684  12.531  266.303  20.938  284.036  15.642  73.355  2.8919 75.808  2.0904 -2.453629      3.568284  
1 1 1 9   18  5  o 94.624  1.6099 442.248  15.036  467.597  21.937  419.787  20.649  97.256  2.2852 92.151  2.2702 5.105125       3.221193  
1 1 1 9   18  6  o 158.106 2.1200 1235.44  33.084  1229.35  47.075  1241.38  46.505  157.600 3.0262 158.377 2.9749 -0.7768860     4.243591  
1 1 1 9   18  7  o 161.186 6.6597 1300.00  105.954 1318.50  150.062 1281.62  149.621 160.942 9.4884 158.610 9.6024 2.331787       13.49952  
1 1 1 9   18  8  o 72.958  6.2056 267.695  44.263  297.056  63.012  239.094  62.191  76.284  8.5139 68.046  9.5202 8.238091       12.77190  
1 1 1 9   18  9  o 44.795  2.1909 99.177   9.6869  90.904   14.363  106.080  13.120  42.702  3.4368 46.212  2.8909 -3.509548      4.490970  
1 1 1 9   18  10 o 96.853  1.7336 463.383  16.573  449.663  24.309  475.298  22.653  95.352  2.5829 98.051  2.3407 -2.698875      3.485693  
1 1 1 9   18  11 o 97.188  1.5798 466.534  15.154  477.581  21.520  455.667  21.344  98.294  2.2181 96.010  2.2523 2.283897       3.161180  
1 1 1 9   18  12 o 55.938  1.8435 154.598  10.178  157.291  15.280  152.451  13.647  56.384  2.7455 55.523  2.4902 0.8619461      3.706622  
1 1 1 9   18  13 o 183.717 2.8373 1670.27  51.451  1656.46  64.713  1694.00  84.830  182.807 3.5865 184.592 4.6559 -1.784958      5.877061  
1 1 1 9   18  14 o 64.717  2.5932 207.184  16.565  286.860  59.613  200.518  17.244  74.950  8.1916 63.658  2.7444 11.29181       8.639065  
1 1 1 9   18  15 o 82.721  1.8250 338.115  14.901  334.550  21.072  341.680  21.073  82.233  2.5961 83.107  2.5690 -0.8738174     3.652360  
1 1 1 9   18  16 o 95.634  6.3002 460.127  59.137  489.985  83.877  430.615  83.390  97.847  8.7782 91.453  9.3704 6.394165       12.83984  
1 1 1 9   18  17 o 112.969 2.6583 631.643  29.641  640.978  42.505  622.807  41.356  113.633 3.7897 112.019 3.7404 1.613892       5.324673  
1 1 1 9   18  18 o 122.066 2.1243 736.800  25.594  751.060  36.557  723.091  35.844  123.119 3.0082 120.805 3.0061 2.313889       4.252746  
1 1 1 9   18  19 o 46.642  1.4742 107.476  6.7870  115.872  9.5947  99.068   9.6017  48.408  2.0081 44.753  2.1737 3.655041       2.959288  
1 1 1 9   18  20 o 26.909  0.8938 35.751   2.3740  33.009   3.3274  38.595   3.3881  25.817  1.3101 27.953  1.2280 -2.136522      1.795604  
1 1 1 9   18  21 o 44.012  3.1112 96.664   13.428  100.337  18.680  92.736   19.317  44.626  4.2938 42.810  4.6460 1.816196       6.326310  
1 1 1 9   18  22 o 120.423 2.2471 718.471  26.710  699.447  37.403  738.267  38.155  118.584 3.1955 121.837 3.1727 -3.253120      4.503088  
1 1 1 9   18  23 o 27.400  5.7383 39.515   15.022  39.932   20.559  39.037   22.003  27.292  7.4315 27.020  7.8097 0.2722054      10.78044  
1 1 1 9   18  24 o 78.425  6.5550 319.625  50.276  338.371  70.215  299.902  72.020  78.866  9.1925 73.431  10.213 5.434471       13.74090  
1 1 1 9   18  25 o 72.399  3.3396 262.164  23.865  243.783  25.338  406.541  71.012  69.616  3.7008 86.846  8.3886 -17.22967      9.168718  
1 1 1 9   18  26 o 43.350  1.8148 93.147   7.7650  94.375   8.8112  88.877   16.430  43.609  2.0471 41.808  4.0313 1.800549       4.521298  
1 1 1 9   19  0  o 97.602  1.5615 470.893  15.043  466.435  21.761  474.973  20.818  97.051  2.2717 97.952  2.1533 -0.9012451     3.130016  
1 1 1 9   19  1  o 34.295  2.5629 58.591   8.6131  58.185   16.195  58.751   10.171  33.738  5.0159 34.278  3.0376 -0.5404167     5.863926  
1 1 1 9   19  2  o 85.898  1.5965 364.623  13.536  350.208  18.930  379.704  19.363  84.126  2.2798 87.601  2.2394 -3.475220      3.195651  
1 1 1 9   19  3  o 62.484  1.8247 192.979  11.254  180.541  16.022  205.088  15.810  60.383  2.6883 64.372  2.4882 -3.989574      3.663097  
1 1 1 9   19  4  o 84.405  2.0873 352.234  17.389  271.741  68.832  357.722  17.972  72.142  9.9296 85.056  2.1408 -12.91367      10.15779  
1 1 1 9   19  5  o 186.141 2.4835 1714.09  45.630  1702.20  64.786  1725.81  64.277  185.264 3.5429 186.557 3.4907 -1.293732      4.973631  
1 1 1 9   19  6  o 212.908 8.4223 2296.44  176.994 2181.99  306.160 2353.89  216.916 200.931 15.558 214.221 10.259 -13.28960      18.63620  
1 1 1 9   19  7  o 53.126  6.3998 143.305  32.883  149.012  46.785  137.733  46.228  53.441  9.2014 51.250  9.4880 2.191505       13.21699  
1 1 1 9   19  8  o 95.347  1.6864 449.117  15.870  446.622  23.046  451.367  21.887  95.027  2.4571 95.542  2.3209 -0.5147018     3.379916  
1 1 1 9   19  9  o 119.309 1.8681 703.385  22.000  737.754  31.842  671.996  30.430  122.113 2.6419 116.543 2.6453 5.569511       3.738623  
1 1 1 9   19  10 o 170.696 2.5342 1441.31  42.697  1440.05  60.496  1442.56  60.269  170.421 3.5964 170.574 3.5797 -0.1526031     5.074312  
1 1 1 9   19  11 o 54.975  1.6460 149.301  8.9314  153.249  10.106  135.211  19.090  55.690  1.8384 52.077  3.7387 3.613220       4.166306  
1 1 1 9   19  12 f 183.673 3.5825 1672.93  64.947  1625.30  99.447  1708.36  85.764  180.424 5.5843 185.292 4.6894 -4.868881      7.292048  
1 1 1 9   19  13 o 104.704 1.9074 541.796  19.712  554.313  28.153  529.756  27.610  105.833 2.6951 103.461 2.7037 2.371742       3.817493  
1 1 1 9   19  14 o 68.382  1.6254 231.014  10.971  235.449  14.475  225.028  16.818  69.009  2.1251 67.439  2.5266 1.569542       3.301412  
1 1 1 9   19  15 o 16.798  6.4015 9.9641   14.725  15.283   20.149  3.8684   21.571  20.025  7.5210 17.778  7.4081 2.246859       10.55677  
1 1 1 9   19  16 o 116.826 3.8179 677.887  44.025  633.254  47.744  931.387  113.784 112.821 4.2874 134.960 8.5863 -22.13935      9.597151  
1 1 1 9   19  17 o 107.785 2.0866 574.524  22.198  551.147  30.849  599.630  31.968  105.460 2.9636 110.003 2.9443 -4.543701      4.177486  
1 1 1 9   19  18 o 125.574 2.2077 780.167  27.363  742.960  38.238  819.215  39.173  122.381 3.1656 128.524 3.0879 -6.143021      4.422218  
1 1 1 9   19  19 o 64.642  1.1532 206.376  7.3577  208.281  10.395  204.462  10.416  64.915  1.6223 64.316  1.6408 0.5989380      2.307387  
1 1 1 9   19  20 o 55.838  1.4409 154.083  7.9414  159.070  11.207  149.054  11.255  56.698  2.0025 54.878  2.0779 1.819538       2.885759  
1 1 1 9   19  21 o 60.963  1.6014 183.776  9.6363  171.412  13.462  196.766  13.799  58.812  2.3191 63.023  2.2183 -4.210659      3.209242  
1 1 1 9   19  22 o 68.621  2.4760 233.697  16.770  222.852  23.239  245.483  24.225  66.725  3.5412 70.135  3.4994 -3.410278      4.978526  
1 1 1 9   19  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   19  24 o 31.786  1.1985 49.950   3.7601  44.140   5.1914  56.361   5.4535  29.797  1.7732 33.738  1.6376 -3.941488      2.413695  
1 1 1 9   19  25 o 62.809  2.4150 196.195  14.972  215.123  32.503  191.098  16.868  64.722  5.1300 61.915  2.7602 2.807320       5.825380  
1 1 1 9   19  26 o 44.089  3.4544 98.187   14.912  88.270   21.339  107.652  20.848  41.115  5.3879 45.753  4.6823 -4.638695      7.138222  
1 1 1 9   20  0  o 65.109  1.5408 209.608  9.9016  212.781  14.336  206.714  13.693  65.533  2.2163 64.599  2.1475 0.9332962      3.086009  
1 1 1 9   20  1  o 25.310  2.8597 32.210   7.0188  27.923   10.419  35.771   9.4971  23.188  4.7130 26.531  3.7296 -3.343344      6.010158  
1 1 1 9   20  2  o 149.903 2.0716 1112.27  30.651  1113.12  43.884  1111.47  42.830  149.726 2.9694 149.636 2.8998 0.9020996E-01  4.150492  
1 1 1 9   20  3  o 41.754  2.2025 86.537   9.0452  95.986   12.813  77.152   12.770  43.882  2.9759 39.267  3.3261 4.615021       4.463068  
1 1 1 9   20  4  o 55.123  1.9727 150.284  10.733  146.085  15.729  153.943  14.682  54.196  2.9516 55.740  2.6687 -1.544365      3.979120  
1 1 1 9   20  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   20  6  f 84.133  8.9474 366.107  73.161  366.107  73.161  0.0000   0.0000  84.133  8.9474 ?       ?      0.000000       8.947368  
1 1 1 9   20  7  o 106.454 1.8183 560.104  19.105  582.751  27.728  539.636  26.361  108.502 2.5891 104.415 2.5578 4.087158       3.639483  
1 1 1 9   20  8  o 116.521 2.0756 671.309  23.872  695.103  42.882  660.624  28.736  118.332 3.6715 115.538 2.5198 2.793739       4.453013  
1 1 1 9   20  9  o 38.596  2.5516 74.041   9.6657  68.203   14.554  78.648   12.929  36.824  4.0722 39.688  3.3312 -2.863541      5.261174  
1 1 1 9   20  10 f 106.166 2.1385 557.338  22.410  568.469  28.162  538.123  37.001  107.163 2.6625 104.133 3.5999 3.029594       4.477512  
1 1 1 9   20  11 o 79.228  2.0480 310.346  16.015  310.516  20.823  310.099  25.059  79.201  2.6637 79.093  3.2099 0.1077194      4.171175  
1 1 1 9   20  12 o 56.772  2.2312 159.410  12.502  162.378  17.743  156.483  17.620  57.149  3.1577 56.094  3.1956 1.055408       4.492546  
1 1 1 9   20  13 f 105.702 2.1122 552.515  22.037  538.584  27.721  576.435  36.325  104.296 2.6929 107.792 3.4142 -3.496078      4.348379  
1 1 1 9   20  14 o 192.598 7.0273 1872.95  133.590 1848.67  188.950 1897.21  188.899 188.787 10.178 191.385 10.035 -2.597549      14.29267  
1 1 1 9   20  15 o 68.361  3.6986 232.844  24.863  221.299  26.985  297.697  63.958  66.561  4.1279 75.829  8.7029 -9.268829      9.632208  
1 1 1 9   20  16 o 37.253  7.4290 72.775   26.358  72.775   26.358  0.0000   0.0000  37.253  7.4290 ?       ?      0.000000       7.428965  
1 1 1 9   20  17 o 65.088  1.6278 209.389  10.457  214.842  14.627  203.687  14.956  65.885  2.2492 64.142  2.3624 1.742744       3.261880  
1 1 1 9   20  18 o 83.586  2.1708 345.819  17.910  350.122  24.995  341.279  25.675  83.990  3.0150 82.903  3.1377 1.086922       4.351520  
1 1 1 9   20  19 o 69.694  1.9537 240.359  13.440  263.051  23.086  228.725  16.530  72.742  3.2153 67.932  2.4652 4.810371       4.051615  
1 1 1 9   20  20 o 15.053  5.4217 9.7211   10.290  7.8062   14.514  11.657   14.592  15.948  6.2786 17.148  6.4081 -1.200714      8.971340  
1 1 1 9   20  21 o 39.623  3.3921 78.874   13.139  81.020   18.267  76.574   18.911  39.837  4.7387 38.617  5.0849 1.220421       6.950650  
1 1 1 9   20  22 o 50.668  6.6460 134.728  32.436  121.438  45.178  148.865  46.596  46.327  10.160 51.839  9.4552 -5.511395      13.87879  
1 1 1 9   20  23 o 15.577  2.0446 12.241   3.0677  12.290   3.0783  5.1205   36.990  15.609  2.0474 21.986  9.4528 -6.377892      9.672037  
1 1 1 9   20  24 o 39.082  1.3421 75.566   5.1772  73.984   7.2494  77.213   7.3960  38.623  1.9016 39.457  1.8990 -0.8340073     2.687469  
1 1 1 9   20  25 o 27.202  4.8776 38.828   12.615  47.337   17.503  29.630   18.197  29.657  6.1797 23.459  7.1839 6.198370       9.476151  
1 1 1 9   20  26 o 35.070  1.8111 61.193   6.2477  57.920   24.970  61.412   6.4530  32.018  7.9400 35.124  1.8681 -3.105534      8.156829  
1 1 1 9   21  0  o 33.973  2.4668 57.578   8.2153  63.913   14.148  54.355   10.091  35.483  4.1160 32.890  3.1467 2.592377       5.181089  
1 1 1 9   21  1  o 89.158  1.6242 393.225  14.294  387.023  20.680  398.899  19.779  88.336  2.3718 89.706  2.2338 -1.370163      3.258146  
1 1 1 9   21  2  f 49.038  1.8281 119.021  8.8485  118.682  13.549  119.274  11.685  48.791  2.8254 49.038  2.4141 -0.2468834     3.716290  
1 1 1 9   21  3  o 62.108  1.7115 190.826  10.492  194.470  15.217  187.523  14.486  62.619  2.4620 61.499  2.3864 1.119385       3.428717  
1 1 1 9   21  4  o 33.780  2.8212 57.038   9.3203  52.175   16.937  59.151   11.162  31.700  5.6187 34.319  3.3375 -2.618315      6.535214  
1 1 1 9   21  5  o 98.294  9.1942 507.983  88.165  0.0000   0.0000  507.983  88.165  ?       ?      98.294  9.1942 0.000000       9.194171  
1 1 1 9   21  6  o 25.886  4.5932 34.475   11.306  0.0000   0.0000  34.475   11.306  ?       ?      25.886  4.5932 0.000000       4.593233  
1 1 1 9   21  7  o 65.290  1.9011 210.831  12.252  209.085  17.398  212.549  17.255  64.947  2.7140 65.488  2.6695 -0.5403061     3.806829  
1 1 1 9   21  8  o 63.442  1.7037 198.961  10.669  211.690  17.934  191.988  13.273  65.351  2.7802 62.289  2.1588 3.061489       3.519954  
1 1 1 9   21  9  o 89.977  1.8268 400.275  16.224  376.225  22.647  425.628  23.252  87.147  2.6328 92.704  2.5412 -5.557281      3.659152  
1 1 1 9   21  10 o 64.538  2.1969 206.092  13.994  196.666  17.738  221.632  22.776  62.989  2.8530 66.710  3.4710 -3.720539      4.492999  
1 1 1 9   21  11 o 36.589  3.0018 66.827   10.745  71.827   14.696  61.083   15.751  37.782  4.0017 34.666  4.7265 3.115788       6.193001  
1 1 1 9   21  12 o 71.723  1.6745 254.265  11.855  257.077  16.579  251.323  16.957  72.068  2.3308 71.249  2.4112 0.8183746      3.353526  
1 1 1 9   21  13 o 56.315  7.8407 164.605  42.400  159.320  74.101  167.178  51.700  53.039  13.963 56.075  9.6915 -3.035748      16.99685  
1 1 1 9   21  14 o 89.925  2.8381 400.939  25.191  395.900  35.839  405.859  35.415  89.139  4.0734 90.274  3.9746 -1.134758      5.691179  
1 1 1 9   21  15 o 53.371  2.7266 141.579  14.316  139.615  19.831  143.717  20.687  52.817  3.8299 53.570  3.9401 -0.7527161     5.494818  
1 1 1 9   21  16 o 54.169  2.6574 145.480  14.208  148.432  19.412  142.074  20.853  54.490  3.6300 53.232  3.9980 1.258232       5.400069  
1 1 1 9   21  17 o 92.559  2.6164 424.866  23.903  417.380  24.919  511.074  84.568  91.716  2.7527 98.771  8.7656 -7.054886      9.187653  
1 1 1 9   21  18 o 62.804  1.9514 195.244  12.097  193.580  20.968  196.074  14.810  62.251  3.4257 62.891  2.3858 -0.6402283     4.174609  
1 1 1 9   21  19 o 112.970 2.2027 632.532  24.562  599.270  34.253  667.738  35.239  109.711 3.1631 115.835 3.0822 -6.123489      4.416436  
1 1 1 9   21  20 o 49.849  2.8957 124.075  14.186  112.463  19.873  136.142  20.258  47.110  4.3220 51.965  3.9798 -4.855640      5.875284  
1 1 1 9   21  21 o 65.337  7.7497 227.660  49.003  219.368  59.308  245.499  86.994  62.709  9.9112 62.623  14.378 0.8560944E-01  17.46297  
1 1 1 9   21  22 o 41.427  3.7385 86.891   15.122  90.551   20.977  82.931   21.820  41.824  5.1932 39.805  5.7178 2.018570       7.724095  
1 1 1 9   21  23 o 35.112  2.0257 61.398   6.9906  58.757   7.4792  79.649   19.662  34.315  2.2201 39.119  5.2227 -4.804523      5.675029  
1 1 1 9   21  24 o 67.365  2.0549 225.402  13.664  223.886  16.444  228.784  24.559  67.039  2.4851 67.289  3.7120 -0.2490387     4.467059  
1 1 1 9   21  25 o 53.374  2.9949 143.150  15.714  133.882  21.920  152.950  22.540  51.090  4.3894 54.712  4.2060 -3.621605      6.079253  
1 1 1 9   22  1  o 23.437  3.1994 27.891   7.2079  29.998   11.684  26.596   9.1585  23.897  5.1082 22.648  4.2531 1.248453       6.647023  
1 1 1 9   22  2  o 79.754  1.7232 314.843  13.565  318.265  21.058  312.415  17.735  80.022  2.6662 79.361  2.2641 0.6609650      3.497813  
1 1 1 9   22  3  o 83.148  1.6728 342.124  13.729  341.700  20.001  342.501  18.879  82.969  2.4423 83.093  2.3018 -0.1239777     3.356119  
1 1 1 9   22  4  f 53.968  6.4381 151.239  33.618  139.642  47.191  163.189  47.903  50.235  9.8695 54.777  9.1852 -4.541389      13.48237  
1 1 1 9   22  5  o 123.560 1.9094 755.953  23.287  738.211  33.300  772.933  32.576  121.879 2.7681 124.750 2.6456 -2.870773      3.829065  
1 1 1 9   22  6  o 82.761  1.7313 338.896  14.143  331.242  20.639  345.671  19.419  81.697  2.5594 83.492  2.3564 -1.795944      3.478973  
1 1 1 9   22  7  o 89.413  2.4397 396.442  21.532  495.822  80.971  388.880  22.336  97.116  8.5337 88.535  2.5559 8.581017       8.908200  
1 1 1 9   22  8  o 24.989  3.8790 31.881   9.2576  31.040   13.988  32.537   12.349  24.288  5.8947 24.981  5.1783 -0.6931343     7.846108  
1 1 1 9   22  9  o 54.884  2.0866 149.135  11.304  139.704  16.274  157.924  15.712  52.925  3.1293 56.332  2.8349 -3.407799      4.222429  
1 1 1 9   22  10 o 110.573 1.9864 605.105  21.679  591.989  30.543  618.422  30.776  109.209 2.8335 111.630 2.7932 -2.420502      3.978771  
1 1 1 9   22  11 o 106.594 2.0671 562.449  21.748  535.875  29.867  592.443  31.731  103.891 2.9126 109.230 2.9431 -5.339043      4.140692  
1 1 1 9   22  12 o 42.200  9.8395 97.285   40.230  97.285   40.230  0.0000   0.0000  42.200  9.8395 ?       ?      0.000000       9.839484  
1 1 1 9   22  13 o 7.9700  1.9784 3.2681   1.5491  5.7830   2.2066  0.8240   2.1753  10.614  2.1793 6.0014  2.4083 4.612381       3.247947  
1 1 1 9   22  14 o 79.872  1.8245 315.631  14.384  309.975  20.237  321.406  20.448  79.052  2.5936 80.500  2.5735 -1.447525      3.653772  
1 1 1 9   22  15 o 78.299  2.2636 303.788  17.494  273.013  23.639  341.045  26.010  74.071  3.2334 82.798  3.1827 -8.726662      4.536985  
1 1 1 9   22  16 o 35.650  3.3692 63.869   11.715  58.123   16.333  69.957   16.812  33.601  5.0836 37.025  4.7067 -3.424191      6.927903  
1 1 1 9   22  17 o 89.192  1.9052 393.909  16.772  382.578  23.673  405.331  23.767  87.746  2.7333 90.333  2.6655 -2.586639      3.817865  
1 1 1 9   22  18 o 37.255  1.8218 68.725   6.6992  68.625   6.8131  71.643   36.791  37.226  1.8543 35.741  10.023 1.484875       10.19346  
1 1 1 9   22  19 o 54.381  3.2292 148.153  17.255  140.126  20.284  169.171  32.823  52.693  3.9283 57.175  5.9011 -4.481945      7.089079  
1 1 1 9   22  20 o 64.883  6.6486 221.098  41.977  221.685  60.491  220.552  58.299  62.625  10.132 62.767  9.7247 -0.1414032     14.04384  
1 1 1 9   22  21 o 12.088  5.0383 2.0130   9.9818  -3.4078  14.515  6.8772   13.749  13.005  5.7482 15.219  6.0730 -2.214046      8.362032  
1 1 1 9   22  22 o 33.441  1.1998 55.310   3.9603  65.201   5.5110  44.748   5.6951  36.283  1.5388 29.966  1.9358 6.317175       2.472930  
1 1 1 9   22  23 o 30.672  4.9687 49.325   14.528  52.934   23.266  47.018   18.599  30.768  7.6841 29.356  6.5814 1.412262       10.11733  
1 1 1 9   22  24 f 43.335  1.8038 93.204   7.7154  82.366   19.611  95.189   8.3922  39.672  5.1282 43.774  1.9423 -4.102615      5.483746  
1 1 1 9   22  25 f 48.217  7.4944 129.382  34.509  118.493  45.964  143.450  52.243  43.555  10.756 47.558  11.297 -4.003021      15.59821  
1 1 1 9   23  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   23  4  o 97.967  1.7951 475.346  17.358  476.096  25.823  474.728  23.444  97.833  2.6742 97.760  2.4297 0.7368469E-01  3.613106  
1 1 1 9   23  5  o 49.426  2.1020 121.143  10.255  127.407  15.884  116.665  13.429  50.430  3.2077 48.331  2.8273 2.099411       4.275870  
1 1 1 9   23  6  o 51.738  2.1130 132.743  10.790  121.415  15.876  142.468  14.710  49.209  3.2876 53.432  2.7990 -4.223839      4.317709  
1 1 1 9   23  7  o 42.652  2.4224 90.619   10.156  77.597   14.978  101.701  13.817  39.149  3.9292 45.059  3.1261 -5.910084      5.021041  
1 1 1 9   23  8  o 58.751  2.6317 171.554  15.261  188.695  53.462  170.033  15.924  58.601  9.5736 58.470  2.7592 0.1307411      9.963224  
1 1 1 9   23  9  o 24.623  4.4278 31.381   10.366  30.265   13.731  32.859   15.806  23.899  5.8645 24.841  6.4052 -0.9410400     8.684392  
1 1 1 9   23  10 o 25.384  4.1012 33.096   9.9251  30.977   13.696  35.439   14.402  24.194  5.8088 25.899  5.7805 -1.704876      8.194904  
1 1 1 9   23  11 o 27.563  8.3658 40.591   24.753  33.931   45.885  43.324   29.398  28.650  11.198 28.576  9.1851 0.7403946E-01  14.48333  
1 1 1 9   23  12 o 51.824  2.7973 133.914  14.255  132.804  20.866  134.886  19.521  51.292  4.1573 51.778  3.8472 -0.4853172     5.664301  
1 1 1 9   23  13 o 89.141  2.1995 393.997  19.352  384.408  27.962  402.812  26.810  87.814  3.2261 89.947  3.0198 -2.133171      4.418887  
1 1 1 9   23  14 o 62.322  1.5902 192.170  9.7821  195.241  13.776  189.047  13.893  62.743  2.2245 61.732  2.2801 1.010899       3.185427  
1 1 1 9   23  15 o 44.864  1.5869 99.594   7.0272  101.557  7.4350  83.160   21.516  45.298  1.6629 40.052  5.5955 5.246002       5.837362  
1 1 1 9   23  16 o 49.538  2.9962 122.747  14.581  119.086  20.258  126.683  21.004  48.456  4.2796 49.982  4.2993 -1.526619      6.066215  
1 1 1 9   23  17 o 38.576  3.5137 75.105   13.232  80.157   17.374  68.130   20.418  39.583  4.5285 35.986  5.9566 3.596668       7.482554  
1 1 1 9   23  18 o 20.875  5.7614 23.132   12.260  19.355   15.478  29.490   20.083  19.745  6.6789 23.659  7.5903 -3.913433      10.11043  
1 1 1 9   23  19 o 44.249  10.259 114.133  43.936  114.133  43.936  0.0000   0.0000  44.249  10.259 ?       ?      0.000000       10.25929  
1 1 1 9   23  20 o 50.612  1.5698 126.883  7.8422  121.622  10.891  132.549  11.302  49.458  2.2310 51.635  2.2175 -2.176373      3.145545  
1 1 1 9   23  21 o 40.773  3.9515 84.809   15.703  79.367   22.013  90.448   22.407  38.648  5.9623 41.460  5.6205 -2.811310      8.193808  
1 1 1 9   23  22 o 44.920  3.4620 102.166  15.232  108.727  20.485  94.054   22.778  45.926  4.5802 42.240  5.6015 3.685051       7.235647  
1 1 1 9   23  23 o 71.551  1.8575 254.264  13.118  244.454  17.996  265.388  19.163  69.944  2.6066 72.857  2.6648 -2.913170      3.727696  
1 1 1 9   23  24 o 41.848  3.8638 89.759   15.779  97.589   20.968  79.534   23.962  43.120  5.0204 38.055  6.6196 5.064960       8.308052  
1 1 1 9   24  5  o 44.819  2.4749 100.221  10.906  96.276   18.187  102.436  13.628  43.454  4.2965 45.182  3.0742 -1.727879      5.283056  
1 1 1 9   24  6  o 30.675  3.2279 47.544   9.6267  45.614   15.639  48.721   12.215  29.390  5.5955 30.840  4.1156 -1.449469      6.946089  
1 1 1 9   24  7  o 65.957  1.9335 215.689  12.587  233.586  20.080  204.103  16.156  68.424  2.9732 64.051  2.5555 4.373123       3.920512  
1 1 1 9   24  8  o 42.764  2.4428 91.212   10.268  91.211   15.641  91.212   13.613  42.459  3.7715 42.590  3.2630 -0.1313553     4.987134  
1 1 1 9   24  9  o 35.829  4.5746 65.964   15.809  63.735   35.138  66.529   17.701  33.465  9.9250 35.799  5.1586 -2.333733      11.18554  
1 1 1 9   24  10 o 24.247  7.3309 31.441   19.035  31.277   27.009  31.603   26.830  24.961  8.8054 25.020  8.7805 -0.5958176E-01 12.43516  
1 1 1 9   24  11 o 36.875  3.3849 68.611   12.183  62.756   17.209  74.494   17.249  34.745  5.1759 38.072  4.6894 -3.326847      6.984326  
1 1 1 9   24  12 o 37.150  3.4879 69.728   12.640  72.468   17.744  66.905   18.011  37.466  4.9168 35.870  5.2416 1.595829       7.186781  
1 1 1 9   24  13 o 25.279  4.7881 33.441   11.509  38.527   16.459  28.574   16.101  26.763  6.3299 23.116  6.6803 3.647301       9.202991  
1 1 1 9   24  14 o 58.534  1.5228 169.600  8.7978  170.421  12.784  168.861  12.126  58.577  2.2110 58.326  2.1064 0.2516174      3.053756  
1 1 1 9   24  15 o 49.155  2.9619 121.077  14.304  122.403  20.132  119.726  20.326  49.055  4.1984 48.479  4.2921 0.5753784      6.004044  
1 1 1 9   24  16 o 16.374  5.6479 12.798   11.078  12.661   16.205  12.919   15.179  17.717  6.7242 17.507  6.5371 0.2093353      9.378098  
1 1 1 9   24  17 o 56.366  1.7028 157.472  9.4737  152.745  13.539  162.006  13.261  55.382  2.4768 57.061  2.3545 -1.678913      3.417346  
1 1 1 9   24  18 o 20.659  8.4403 13.037   27.271  0.0000   0.0000  13.037   27.271  ?       ?      20.659  8.4403 0.000000       8.440263  
1 1 1 9   24  19 o 33.653  5.2303 59.572   16.809  50.126   21.012  76.364   28.015  30.079  7.1773 36.912  7.9262 -6.833073      10.69293  
1 1 1 9   24  20 o 21.525  7.4323 23.778   19.186  21.782   21.319  32.282   44.007  21.279  7.7825 26.846  10.811 -5.567787      13.32110  
1 1 1 9   24  21 o 15.090  2.0710 11.533   3.0034  20.893   35.815  11.467   3.0140  23.605  9.6615 15.043  2.0860 8.561921       9.884167  
1 1 1 9   24  22 o 12.704  2.1908 8.2637   2.6479  8.4352   2.6653  -4.7139  23.187  12.840  2.1811 16.062  7.1724 -3.222538      7.496706  
1 1 1 9   24  23 o 89.216  10.377 487.814  89.676  0.0000   0.0000  487.814  89.676  ?       ?      89.216  10.377 0.000000       10.37750  
1 1 1 9   25  7  o 33.280  1.6484 54.884   5.4146  60.145   19.317  54.435   5.6407  33.555  6.0552 33.092  1.7330 0.4632683      6.298319  
1 1 1 9   25  8  o 47.546  2.7743 113.199  12.963  145.523  29.855  105.689  14.391  52.723  5.8349 45.825  3.2017 6.897938       6.655560  
1 1 1 9   25  9  o 14.211  5.9586 2.7561   14.082  6.0354   19.085  -1.1622  20.863  16.900  6.9989 16.063  7.0017 0.8364391      9.899898  
1 1 1 9   25  10 f 52.828  3.9940 141.671  20.672  186.441  52.567  133.481  22.483  57.219  9.6510 51.076  4.5060 6.143482       10.65107  
1 1 1 9   25  11 o 30.173  1.3847 45.058   4.1239  46.535   4.2736  25.085   15.716  30.662  1.4121 21.728  6.6797 8.933863       6.827344  
1 1 1 9   25  12 f 81.073  1.9409 326.205  15.531  322.170  20.742  331.355  23.431  80.386  2.6142 81.424  2.9155 -1.037544      3.915866  
1 1 1 9   25  13 o 38.277  3.4832 74.216   13.016  75.493   18.554  72.979   18.264  38.080  5.0617 37.425  5.0751 0.6542778      7.167852  
1 1 1 9   25  14 o 22.907  1.4808 26.093   3.3301  24.837   4.7442  27.312   4.6756  22.245  2.1890 23.360  2.0485 -1.115023      2.998020  
1 1 1 9   25  15 o 37.969  3.6993 73.355   13.688  72.318   19.283  74.407   19.433  37.075  5.4304 37.634  5.3850 -0.5588417     7.647667  
1 1 1 9   25  16 o 19.394  7.0898 17.459   17.690  12.902   25.300  21.816   24.744  20.074  8.1572 21.936  8.3130 -1.862679      11.64677  
1 1 1 9   25  17 o 49.032  8.5677 136.095  39.955  99.057   67.098  156.445  49.735  38.301  13.837 51.364  10.170 -13.06363      17.17250  
1 1 1 9   25  18 o 39.412  4.0845 79.724   15.658  95.707   22.464  64.620   21.838  42.614  5.4668 34.356  6.6804 8.258312       8.632179  
1 1 1 9   25  19 o 70.205  2.6879 246.588  18.626  252.105  26.476  241.182  26.209  70.405  3.8242 68.832  3.8734 1.572639       5.443161  
1 1 1 9   25  20 o 55.296  3.0683 154.224  16.681  150.568  24.416  157.423  22.843  53.901  4.6344 55.348  4.2130 -1.447067      6.263156  
1 1 1 9   25  21 o 53.694  3.0508 145.628  16.102  141.891  22.912  149.274  22.633  52.312  4.4807 53.765  4.3009 -1.452328      6.210809  
1 1 1 9   26  10 o 69.288  2.0391 238.709  13.945  252.156  23.918  231.783  17.165  70.735  3.4258 68.132  2.5524 2.602631       4.272125  
1 1 1 9   26  11 o 23.733  1.1212 27.861   2.6264  0.0000   0.0000  27.861   2.6264  ?       ?      23.733  1.1212 0.000000       1.121185  
1 1 1 9   26  12 o 43.339  1.9812 93.348   8.4749  89.888   9.3457  109.364  20.107  42.429  2.2395 46.058  4.4796 -3.628544      5.008214  
1 1 1 9   26  13 o 26.965  5.5628 39.105   14.314  49.034   20.881  30.304   19.660  29.611  7.2115 23.549  7.5053 6.062647       10.40840  
1 1 1 9   26  14 o 65.698  1.6474 214.089  10.683  226.725  15.016  201.139  15.201  67.461  2.2551 63.494  2.4255 3.966999       3.311857  
1 1 1 9   26  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 9   26  16 f 56.560  15.742 245.709  91.108  245.709  91.108  0.0000   0.0000  56.560  15.742 ?       ?      0.000000       15.74195  
1 1 1 9   26  17 o 25.376  1.3002 31.974   3.2458  46.807   4.6499  17.879   4.5327  30.722  1.5334 18.751  2.5122 11.97055       2.943189  
1 1 1 9   26  18 o 20.775  1.8902 21.639   3.8335  31.411   24.125  21.386   3.8829  23.896  8.3295 20.646  1.9277 3.250448       8.549679  
1 1 1 9   26  19 o 65.383  7.3216 239.067  46.439  242.488  67.637  236.015  63.874  60.779  11.699 60.755  11.059 0.2360535E-01  16.09865  
1 1 1 10  -20 0  o 34.958  8.2191 69.492   27.883  56.476   38.928  83.205   39.958  31.006  10.591 37.023  10.468 -6.017155      14.89147  
1 1 1 10  -19 0  o 25.756  1.4367 32.934   3.6378  22.078   12.984  33.859   3.7896  20.431  6.0263 26.112  1.4764 -5.680859      6.204472  
1 1 1 10  -19 1  o 20.841  0.8917 21.460   1.8343  17.343   2.2482  29.658   3.1725  18.687  1.2257 24.449  1.3195 -5.762180      1.800966  
1 1 1 10  -19 2  o 36.193  1.3083 64.807   4.6738  65.224   6.5621  64.378   6.6584  36.220  1.8416 35.978  1.8815 0.2421341      2.632802  
1 1 1 10  -19 3  f 22.330  1.1021 24.654   2.4292  24.668   2.4580  24.052   15.915  22.336  1.1149 21.362  6.7469 0.9744587      6.838425  
1 1 1 10  -18 0  o 102.397 1.8414 519.550  18.611  513.964  26.127  525.305  26.517  101.642 2.6043 102.754 2.6145 -1.112045      3.690257  
1 1 1 10  -18 1  o 46.656  1.1514 107.599  5.3025  106.175  8.6915  108.443  6.6922  46.283  1.9026 46.817  1.4482 -0.5343475     2.391056  
1 1 1 10  -18 2  o 18.027  1.3451 16.161   2.3762  16.253   2.4074  12.703   14.798  18.077  1.3592 17.406  6.4633 0.6708641      6.604677  
1 1 1 10  -18 3  o 89.889  1.7123 400.185  15.192  404.659  19.934  393.987  23.466  90.277  2.2371 88.963  2.6723 1.313126       3.485084  
1 1 1 10  -18 4  o 30.690  1.2365 46.572   3.7457  45.060   5.2678  48.120   5.3271  30.105  1.7807 31.118  1.7414 -1.013725      2.490657  
1 1 1 10  -18 5  o 14.907  6.0462 5.5524   13.870  14.867   24.953  1.3884   16.684  20.645  8.1993 15.015  6.3991 5.629881       10.40078  
1 1 1 10  -17 0  o 57.517  1.1694 163.475  6.6386  159.585  9.3784  167.383  9.3986  56.790  1.6731 58.164  1.6371 -1.374268      2.340791  
1 1 1 10  -17 1  o 77.809  1.7539 299.681  13.470  325.756  25.644  289.744  15.830  80.840  3.2139 76.459  2.0976 4.381004       3.837806  
1 1 1 10  -17 2  o 128.011 2.0398 812.112  25.773  809.135  36.705  815.007  36.196  127.498 2.9167 127.979 2.8654 -0.4806900     4.088752  
1 1 1 10  -17 3  o 83.261  1.5396 342.977  12.652  357.082  17.892  328.870  17.894  84.859  2.1362 81.422  2.2266 3.437805       3.085586  
1 1 1 10  -17 4  o 113.886 1.9485 642.705  21.903  640.663  31.305  644.663  30.656  113.462 2.7953 113.838 2.7283 -0.3759995     3.906068  
1 1 1 10  -17 5  o 80.486  1.7651 320.781  14.023  319.641  16.991  323.216  24.832  80.278  2.1443 80.501  3.1252 -0.2228165     3.790093  
1 1 1 10  -17 6  o 20.144  7.3544 18.115   19.026  21.113   27.126  15.212   26.693  22.664  8.6763 21.283  8.4715 1.380983       12.12617  
1 1 1 10  -17 7  o 25.648  1.3017 32.613   3.2845  33.821   3.4247  18.759   11.598  26.117  1.3329 19.002  5.7173 7.114388       5.870639  
1 1 1 10  -16 0  o 66.853  1.7966 221.066  11.855  217.049  23.285  222.471  13.774  65.925  3.5920 67.039  2.0817 -1.113953      4.151559  
1 1 1 10  -16 1  o 53.046  1.3905 139.066  7.2805  137.315  10.358  140.774  10.235  52.672  1.9924 53.335  1.9442 -0.6629944     2.783810  
1 1 1 10  -16 2  o 18.611  1.2084 17.186   2.2078  17.127   2.9758  17.258   3.2927  18.537  1.6434 18.588  1.8179 -0.5119514E-01 2.450632  
1 1 1 10  -16 3  o 56.677  1.2327 158.732  6.8963  166.758  8.4774  143.028  11.858  58.077  1.4789 53.724  2.2362 4.352509       2.680952  
1 1 1 10  -16 4  o 85.611  1.8974 362.855  16.034  373.036  20.771  347.844  25.222  86.717  2.4267 83.612  3.0562 3.105103       3.902419  
1 1 1 10  -16 5  o 55.195  1.8377 150.823  10.012  160.947  14.379  141.296  13.949  56.934  2.5588 53.333  2.6498 3.600567       3.683542  
1 1 1 10  -16 6  o 68.673  1.5417 233.281  10.450  224.376  14.372  243.271  15.223  67.274  2.1644 70.044  2.2018 -2.769943      3.087490  
1 1 1 10  -16 7  o 20.531  7.2235 19.811   18.165  15.593   24.474  24.984   27.104  20.904  8.1762 23.664  8.7553 -2.760351      11.97938  
1 1 1 10  -16 8  o 97.255  1.6857 468.182  16.182  481.668  23.956  456.865  21.946  98.481  2.4645 95.947  2.3174 2.534065       3.382899  
1 1 1 10  -16 9  o 31.181  1.7417 48.297   5.3391  45.289   5.5759  81.471   18.517  30.175  1.8815 39.849  4.8048 -9.674252      5.160015  
1 1 1 10  -15 0  f 122.234 1.9129 738.794  23.079  742.528  32.393  734.944  32.891  122.429 2.6806 121.792 2.7360 0.6364517      3.830374  
1 1 1 10  -15 1  o 34.129  2.6396 58.045   8.8228  64.096   12.799  52.565   12.179  35.721  3.6828 32.273  3.9026 3.448006       5.365952  
1 1 1 10  -15 2  o 79.244  1.5337 310.328  11.996  323.134  18.485  301.011  15.767  80.793  2.3180 78.004  2.0479 2.788422       3.093029  
1 1 1 10  -15 3  o 37.347  3.6401 70.033   13.248  56.302   17.607  87.951   20.113  33.030  5.6006 41.615  4.9964 -8.584942      7.505383  
1 1 1 10  -15 4  o 24.333  7.7488 30.032   20.960  39.938   29.285  19.628   30.012  28.026  9.1796 23.399  9.0814 4.627117       12.91265  
1 1 1 10  -15 5  o 30.348  7.8479 49.213   23.683  50.236   32.853  48.106   34.172  30.838  9.6873 30.409  9.9138 0.4288406      13.86100  
1 1 1 10  -15 6  o 32.607  7.7036 56.993   24.400  60.295   34.572  53.716   34.441  33.302  9.8368 31.677  9.9134 1.624914       13.96565  
1 1 1 10  -15 7  o 74.234  6.5607 283.938  47.577  296.359  67.375  271.583  67.193  74.275  9.4006 70.764  9.8903 3.510658       13.64512  
1 1 1 10  -15 8  o 63.328  14.943 244.514  91.897  244.514  91.897  0.0000   0.0000  63.328  14.943 ?       ?      0.000000       14.94298  
1 1 1 10  -15 9  f 58.387  6.6811 177.197  37.810  168.294  53.663  185.974  53.281  55.102  10.244 58.368  9.5808 -3.266743      14.02599  
1 1 1 10  -15 10 o 60.476  6.8353 190.938  40.085  185.437  56.701  196.434  56.676  57.672  10.341 59.615  9.9850 -1.942955      14.37462  
1 1 1 10  -14 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -14 1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -14 2  o 75.229  9.3649 293.932  68.032  283.705  96.229  304.151  96.196  71.770  14.087 74.643  13.556 -2.873611      19.55019  
1 1 1 10  -14 3  o 45.358  7.2078 106.328  31.190  94.327   43.870  118.594  44.352  41.859  10.606 47.182  9.8420 -5.323441      14.46872  
1 1 1 10  -14 4  o 107.500 6.4641 584.083  68.269  593.462  95.070  574.099  98.095  107.160 9.0736 105.129 9.5579 2.030571       13.17891  
1 1 1 10  -14 5  o 123.441 2.6086 754.777  31.783  756.854  42.590  752.166  47.746  123.431 3.4958 122.941 3.9347 0.4904633      5.263320  
1 1 1 10  -14 6  o 104.527 1.9089 540.386  19.695  527.198  24.641  563.717  32.773  103.175 2.4196 106.567 3.1157 -3.391365      3.944894  
1 1 1 10  -14 7  o 30.426  1.1498 45.729   3.4531  44.474   4.8942  46.973   4.8729  29.946  1.6624 30.782  1.6094 -0.8367252     2.313766  
1 1 1 10  -14 8  o 10.177  1.1002 5.1758   1.0876  -1.6065  8.6434  5.2849   1.0963  10.317  4.5016 10.285  1.0968 0.3186798E-01  4.633323  
1 1 1 10  -14 9  o 71.503  3.2847 254.545  23.182  254.545  23.182  0.0000   0.0000  71.503  3.2847 ?       ?      0.000000       3.284690  
1 1 1 10  -14 10 o 54.329  1.6645 146.012  8.9259  145.582  12.659  146.437  12.588  54.184  2.3669 54.345  2.3467 -0.1610222     3.333084  
1 1 1 10  -14 11 o 42.803  1.5966 90.626   6.7454  95.812   10.133  86.499   9.0396  43.891  2.3474 41.717  2.2032 2.173985       3.219402  
1 1 1 10  -13 0  o 82.242  6.4448 340.678  51.898  339.716  72.765  341.675  74.041  81.278  9.2341 81.464  9.3794 -0.1860352     13.16214  
1 1 1 10  -13 1  o 50.012  1.1213 123.494  5.5352  118.942  7.2035  130.057  8.6491  49.073  1.4872 51.309  1.7078 -2.235313      2.264607  
1 1 1 10  -13 2  o 170.934 2.4147 1445.00  40.740  1494.88  57.726  1395.51  57.505  173.687 3.3672 167.793 3.4721 5.894012       4.836731  
1 1 1 10  -13 3  f 137.128 2.0630 929.477  27.923  924.849  39.676  934.019  39.305  136.675 2.9411 137.357 2.8991 -0.6820526     4.129756  
1 1 1 10  -13 4  o 92.939  1.6598 426.736  15.226  416.443  21.851  436.450  21.229  91.757  2.4127 93.945  2.2894 -2.188774      3.325999  
1 1 1 10  -13 5  o 102.717 1.6599 521.295  16.829  517.332  23.882  525.205  23.719  102.266 2.3659 103.045 2.3321 -0.7785721     3.322060  
1 1 1 10  -13 6  o 34.302  0.8114 58.087   2.7471  57.667   3.8820  58.507   3.8880  34.173  1.1509 34.421  1.1444 -0.2482071     1.623005  
1 1 1 10  -13 7  o 64.913  1.4783 208.184  9.4715  219.807  14.155  198.762  12.745  66.659  2.1514 63.396  2.0368 3.263710       2.962605  
1 1 1 10  -13 8  o 17.797  1.3236 15.734   2.3085  9.2661   8.3678  16.266   2.4017  14.257  4.9092 18.095  1.3545 -3.837636      5.092619  
1 1 1 10  -13 9  o 50.088  1.2051 123.933  5.9581  126.508  10.243  122.617  7.3246  50.560  2.0526 49.809  1.4899 0.7509155      2.536290  
1 1 1 10  -13 10 o 62.473  1.7170 193.030  10.587  195.385  10.797  134.158  53.987  62.851  1.7405 48.996  11.381 13.85443       11.51326  
1 1 1 10  -13 11 o 54.356  1.2744 145.999  6.8375  147.282  9.5557  144.652  9.7878  54.561  1.7744 54.067  1.8341 0.4938812      2.551908  
1 1 1 10  -13 12 o 40.991  1.3325 83.044   5.3912  84.784   6.7365  79.946   8.9913  41.402  1.6485 40.098  2.2812 1.303795       2.814526  
1 1 1 10  -13 13 o 59.472  1.3184 174.829  7.7389  162.909  13.190  181.087  9.5565  57.312  2.3317 60.504  1.6002 -3.192181      2.828032  
1 1 1 10  -12 0  o 37.477  1.0588 69.339   3.9167  66.077   5.4992  72.699   5.5799  36.578  1.5232 38.368  1.4734 -1.790054      2.119196  
1 1 1 10  -12 1  o 120.319 1.8209 715.183  21.624  690.117  31.437  737.696  29.792  118.119 2.6964 122.145 2.4711 -4.025833      3.657447  
1 1 1 10  -12 2  o 18.706  3.5503 17.908   6.3151  22.773   9.1543  13.489   8.7232  21.014  4.5457 16.417  4.9626 4.596727       6.729798  
1 1 1 10  -12 3  f 90.283  1.5162 402.560  13.511  393.598  18.988  411.752  19.230  89.239  2.1557 91.275  2.1345 -2.036110      3.033684  
1 1 1 10  -12 4  o 108.305 1.7395 579.463  18.595  553.647  26.176  605.768  26.422  105.809 2.5063 110.685 2.4185 -4.876205      3.482922  
1 1 1 10  -12 5  o 104.244 1.6619 536.795  17.100  527.269  24.371  546.032  23.999  103.264 2.3911 105.091 2.3136 -1.827652      3.327142  
1 1 1 10  -12 6  o 127.400 1.9205 802.070  24.150  816.108  34.078  787.908  34.229  128.429 2.6883 126.183 2.7483 2.245750       3.844499  
1 1 1 10  -12 7  o 57.495  1.2803 163.243  7.2655  163.359  11.069  163.155  9.6306  57.491  1.9506 57.465  1.6979 0.2564240E-01  2.586091  
1 1 1 10  -12 8  o 31.951  0.9120 50.401   2.8763  49.556   3.5980  51.898   4.7879  31.679  1.1507 32.412  1.4966 -0.7333336     1.887815  
1 1 1 10  -12 9  o 15.774  3.6608 12.855   5.5897  12.028   8.0119  13.639   7.8024  15.522  4.7690 16.328  4.6289 -0.8058519     6.646023  
1 1 1 10  -12 10 o 62.618  1.4538 193.750  8.9856  184.136  12.577  203.774  12.842  61.005  2.0887 64.181  2.0273 -3.175423      2.910728  
1 1 1 10  -12 11 o 80.870  2.0237 323.648  16.154  325.292  16.593  293.781  70.713  81.070  2.0736 74.233  9.8974 6.836449       10.11232  
1 1 1 10  -12 12 o 43.793  1.3028 94.766   5.6313  95.550   7.0238  93.356   9.4220  43.959  1.6188 43.360  2.2089 0.5991974      2.738538  
1 1 1 10  -12 13 o 68.317  1.8722 230.958  12.625  234.052  14.988  223.402  23.423  68.737  2.2092 66.862  3.5620 1.874741       4.191441  
1 1 1 10  -12 14 o 8.8551  3.6857 0.8766   5.3308  0.1293   7.8509  1.5159   7.2613  10.326  4.3949 10.430  4.3180 -0.1034575     6.161206  
1 1 1 10  -11 0  o 81.288  1.4213 326.291  11.403  344.974  16.061  307.297  16.194  83.562  1.9473 78.862  2.0804 4.700996       2.849566  
1 1 1 10  -11 1  o 68.349  1.4895 230.697  10.049  240.288  17.321  225.831  12.337  69.716  2.5171 67.613  1.8486 2.102432       3.123003  
1 1 1 10  -11 2  o 193.307 2.7603 1848.07  52.666  1851.16  76.099  1845.23  72.963  193.245 3.9896 192.969 3.8308 0.2766266      5.531002  
1 1 1 10  -11 3  o 143.065 2.1050 1011.37  29.724  1019.65  42.144  1003.18  41.931  143.561 2.9741 142.396 2.9833 1.164780       4.212581  
1 1 1 10  -11 4  o 25.562  1.0145 32.257   2.5597  34.117   3.6091  30.374   3.6309  26.248  1.3981 24.756  1.4930 1.492493       2.045375  
1 1 1 10  -11 5  f 33.774  0.9332 56.308   3.1109  46.827   3.8940  73.036   5.1724  30.796  1.2811 38.459  1.3626 -7.663403      1.870214  
1 1 1 10  -11 6  o 93.185  1.5959 428.874  14.679  445.196  20.709  412.393  20.810  94.908  2.2106 91.339  2.3082 3.569420       3.196039  
1 1 1 10  -11 7  o 78.484  1.4390 304.192  11.148  318.556  15.369  288.244  16.194  80.294  1.9392 76.368  2.1484 3.925957       2.894158  
1 1 1 10  -11 8  o 59.812  1.5177 176.694  8.9602  170.155  12.710  183.153  12.633  58.669  2.1949 60.873  2.1026 -2.203762      3.039476  
1 1 1 10  -11 9  o 47.997  1.3063 113.766  6.1885  105.393  10.727  117.943  7.5764  46.102  2.3654 48.863  1.5709 -2.760887      2.839488  
1 1 1 10  -11 10 o 46.130  1.1595 105.084  5.2794  106.111  7.5026  104.077  7.4303  46.341  1.6403 45.895  1.6402 0.4462814      2.319654  
1 1 1 10  -11 11 o 58.319  1.3245 168.005  7.6243  162.056  11.598  172.533  10.117  57.240  2.0529 59.080  1.7350 -1.839890      2.687841  
1 1 1 10  -11 12 o 72.476  1.5468 259.617  11.065  259.305  13.745  260.191  18.653  72.403  1.9233 72.458  2.6081 -0.5449677E-01 3.240564  
1 1 1 10  -11 13 f 79.531  1.7300 312.808  13.580  316.312  17.123  306.867  22.295  79.928  2.1704 78.630  2.8727 1.298058       3.600455  
1 1 1 10  -11 14 o 88.667  1.8444 388.959  16.142  388.102  19.423  390.873  29.024  88.520  2.2230 88.640  3.3174 -0.1205750     3.993371  
1 1 1 10  -11 15 o 46.537  1.6482 107.114  7.5706  112.910  11.059  102.003  10.386  47.726  2.3475 45.305  2.3305 2.421234       3.307855  
1 1 1 10  -10 0  o 188.160 2.8226 1750.84  52.422  1783.54  74.284  1718.41  73.989  189.720 3.9669 186.212 4.0255 3.507202       5.651658  
1 1 1 10  -10 1  o 59.577  1.2637 175.241  7.4311  167.645  9.4800  187.347  11.968  58.263  1.6485 61.582  1.9689 -3.319534      2.567881  
1 1 1 10  -10 2  o 53.190  2.0703 139.777  10.869  129.317  46.683  140.376  11.177  49.756  9.8541 53.302  2.1244 -3.546242      10.08050  
1 1 1 10  -10 3  o 191.505 2.9394 1813.95  55.562  1794.02  78.570  1833.88  78.583  190.235 4.1844 192.347 4.1391 -2.111420      5.885706  
1 1 1 10  -10 4  o 101.815 1.6238 511.939  16.318  508.678  23.849  514.809  22.377  101.450 2.3817 102.070 2.2211 -0.6192551     3.256614  
1 1 1 10  -10 5  o 91.251  1.5024 411.179  13.532  406.782  18.933  415.771  19.348  90.735  2.1140 91.731  2.1369 -0.9958344     3.005886  
1 1 1 10  -10 6  o 113.145 1.7248 632.292  19.262  640.104  27.465  624.729  27.022  113.797 2.4452 112.422 2.4352 1.374252       3.450977  
1 1 1 10  -10 7  o 82.385  1.4760 335.169  12.002  330.813  16.950  339.550  16.998  81.823  2.0987 82.898  2.0774 -1.074478      2.953024  
1 1 1 10  -10 8  o 78.330  1.4811 302.991  11.451  301.447  16.249  304.515  16.139  78.104  2.1078 78.502  2.0829 -0.3976212     2.963289  
1 1 1 10  -10 9  o 64.340  1.3628 204.414  8.6548  202.199  13.367  206.013  11.356  63.964  2.1173 64.577  1.7817 -0.6135254     2.767177  
1 1 1 10  -10 10 o 136.940 2.1123 926.911  28.551  901.327  42.285  948.346  38.705  134.905 3.1756 138.428 2.8328 -3.523560      4.255506  
1 1 1 10  -10 11 o 82.822  1.4409 338.814  11.779  327.980  16.818  349.246  16.502  81.449  2.0920 84.055  1.9891 -2.606270      2.886650  
1 1 1 10  -10 12 o 94.069  1.5183 437.198  14.097  447.036  20.058  427.596  19.816  95.070  2.1376 92.978  2.1593 2.092201       3.038348  
1 1 1 10  -10 13 o 43.741  1.4556 94.538   6.2846  85.434   8.8022  104.005  8.9758  41.496  2.1565 45.855  1.9831 -4.359177      2.929763  
1 1 1 10  -10 14 o 33.842  1.2304 56.577   4.1100  57.554   4.8953  54.244   7.5659  34.126  1.4533 33.012  2.3371 1.113853       2.752073  
1 1 1 10  -10 15 o 53.983  1.4836 144.038  7.9052  147.410  11.231  140.727  11.129  54.570  2.0851 53.317  2.1148 1.253548       2.969811  
1 1 1 10  -10 16 o 111.963 1.7257 620.074  19.071  618.700  26.607  621.526  27.350  111.718 2.4129 111.960 2.4749 -0.2419128     3.456499  
1 1 1 10  -9  0  o 104.706 1.5685 541.381  16.211  541.158  23.386  541.587  22.491  104.652 2.2640 104.698 2.1764 -0.4625702E-01 3.140407  
1 1 1 10  -9  1  o 83.294  1.4861 342.575  12.218  341.888  17.164  343.280  17.395  83.189  2.0903 83.357  2.1143 -0.1681519     2.973132  
1 1 1 10  -9  2  o 152.998 2.1524 1156.51  32.504  1150.10  43.985  1164.21  48.245  152.504 2.9221 153.408 3.1862 -0.9037628     4.323217  
1 1 1 10  -9  3  o 231.326 4.4489 2653.21  101.581 0.0000   0.0000  2653.21  101.581 ?       ?      231.326 4.4489 0.000000       4.448936  
1 1 1 10  -9  4  o 143.905 2.2083 1023.19  31.367  1003.55  44.527  1042.53  44.194  142.430 3.1673 145.179 3.0841 -2.749084      4.420762  
1 1 1 10  -9  5  o 169.518 2.4772 1420.28  41.448  1394.49  58.343  1446.56  58.894  167.846 3.5216 170.955 3.4902 -3.109116      4.958179  
1 1 1 10  -9  6  o 126.788 2.3476 794.404  29.379  802.182  36.616  780.344  49.227  127.362 2.9127 125.505 3.9738 1.856354       4.926957  
1 1 1 10  -9  7  o 43.622  1.5392 93.968   6.6272  85.425   9.3850  102.464  9.3595  41.514  2.2994 45.541  2.0822 -4.027058      3.102021  
1 1 1 10  -9  8  o 125.925 1.8528 783.264  23.029  787.425  31.844  778.701  33.343  126.209 2.5563 125.497 2.6918 0.7125244      3.712168  
1 1 1 10  -9  9  o 63.257  1.1696 197.554  7.3025  193.806  10.380  201.227  10.276  62.642  1.6787 63.832  1.6310 -1.189404      2.340543  
1 1 1 10  -9  10 o 87.534  1.4708 378.378  12.707  390.136  18.483  367.838  17.499  88.854  2.1074 86.280  2.0548 2.573944       2.943389  
1 1 1 10  -9  11 o 100.810 1.9560 502.159  19.462  497.652  23.773  511.321  33.891  100.325 2.4007 101.601 3.3795 -1.275970      4.145448  
1 1 1 10  -9  12 o 37.734  1.4408 70.327   5.3664  66.362   7.1353  75.490   8.1426  36.589  1.9832 39.020  2.1222 -2.430676      2.904565  
1 1 1 10  -9  13 o 77.287  1.4167 295.059  10.807  299.151  15.423  291.112  15.149  77.785  2.0087 76.734  2.0001 1.051720       2.834710  
1 1 1 10  -9  14 o 33.533  1.6981 55.725   5.6020  59.133   8.0837  52.576   7.7705  34.479  2.3901 32.496  2.4404 1.983547       3.415874  
1 1 1 10  -9  15 o 115.883 1.7470 664.015  19.982  648.726  28.120  679.609  28.400  114.429 2.4897 117.127 2.4566 -2.698067      3.497637  
1 1 1 10  -9  16 o 112.556 1.7444 626.511  19.380  650.948  27.604  602.761  27.214  114.619 2.4400 110.284 2.5000 4.334930       3.493369  
1 1 1 10  -9  17 o 58.658  1.3540 170.041  7.8393  163.346  10.184  179.777  12.281  57.462  1.7956 60.260  2.0648 -2.797493      2.736306  
1 1 1 10  -8  0  o 227.499 2.9591 2559.13  66.446  2560.76  97.977  2557.74  90.414  227.316 4.3668 227.251 4.0309 0.6454468E-01  5.942782  
1 1 1 10  -8  1  o 144.576 1.9171 1032.39  27.357  1069.48  38.775  995.633  38.603  147.095 2.6707 141.919 2.7558 5.176254       3.837544  
1 1 1 10  -8  2  o 254.630 3.3471 3207.58  84.123  3193.53  118.826 3221.71  119.109 253.761 4.7441 254.880 4.7345 -1.119522      6.702391  
1 1 1 10  -8  3  o 133.527 1.9795 880.669  26.089  857.421  36.977  903.712  36.814  131.693 2.8447 135.208 2.7585 -3.515274      3.962539  
1 1 1 10  -8  4  o 43.159  6.7177 94.975   27.686  100.077  38.922  89.750   39.391  43.821  9.2872 41.403  9.7926 2.418213       13.49616  
1 1 1 10  -8  5  o 190.433 2.5454 1792.31  47.845  1777.01  67.572  1807.68  67.754  189.481 3.6130 191.113 3.5918 -1.631348      5.094591  
1 1 1 10  -8  6  o 123.601 2.0312 754.661  24.780  751.959  33.461  757.942  36.878  123.332 2.7487 123.800 3.0179 -0.4681396     4.082048  
1 1 1 10  -8  7  o 101.294 1.6532 506.694  16.528  515.409  23.221  497.744  23.531  102.132 2.3035 100.363 2.3754 1.769295       3.308914  
1 1 1 10  -8  8  o 75.274  1.3788 279.762  10.244  279.061  14.529  280.454  14.447  75.163  1.9584 75.351  1.9424 -0.1879807     2.758302  
1 1 1 10  -8  9  o 117.839 1.7831 685.823  20.739  701.931  29.710  670.513  28.964  119.169 2.5259 116.472 2.5194 2.697067       3.567538  
1 1 1 10  -8  10 o 26.542  0.8668 34.773   2.2709  34.425   2.8616  35.365   3.7322  26.407  1.0979 26.725  1.4200 -0.3177586     1.794884  
1 1 1 10  -8  11 o 164.948 2.5825 1345.19  42.046  1290.36  59.422  1400.18  59.503  161.392 3.7302 168.144 3.5853 -6.752106      5.173851  
1 1 1 10  -8  12 o 157.326 2.3281 1223.55  36.153  1204.11  49.364  1246.03  53.095  155.957 3.2068 158.618 3.3913 -2.661560      4.667424  
1 1 1 10  -8  13 o 27.351  1.2919 36.940   3.4876  43.724   7.9894  35.344   3.8765  29.596  2.7670 26.710  1.4761 2.886276       3.136144  
1 1 1 10  -8  14 o 25.963  1.5674 33.424   3.9980  60.690   28.447  32.874   4.0381  33.893  8.5143 25.746  1.5969 8.147614       8.662773  
1 1 1 10  -8  15 o 37.455  1.2539 69.290   4.6356  73.848   5.6536  59.940   8.0980  38.660  1.4816 34.718  2.3775 3.942387       2.801328  
1 1 1 10  -8  16 o 76.582  1.4426 289.810  10.904  301.540  15.573  278.525  15.273  78.069  2.0209 75.027  2.0625 3.042320       2.887539  
1 1 1 10  -8  17 o 128.829 1.8402 820.901  23.399  817.941  32.912  823.926  33.275  128.456 2.5957 128.921 2.6149 -0.4649353     3.684525  
1 1 1 10  -8  18 o 95.338  1.6128 449.426  15.177  421.177  21.106  479.674  21.840  92.199  2.3192 98.405  2.2485 -6.206314      3.230285  
1 1 1 10  -7  0  o 21.037  0.9586 21.845   1.9904  10.439   2.7976  33.537   2.8324  14.397  2.0246 26.065  1.1009 -11.66834      2.304613  
1 1 1 10  -7  1  o 194.744 2.6086 1874.18  50.143  1867.41  71.003  1880.91  70.822  194.260 3.7030 194.964 3.6803 -0.7042694     5.220813  
1 1 1 10  -7  2  o 177.821 2.4942 1562.44  43.777  1535.56  61.990  1589.17  61.829  176.173 3.5649 179.231 3.4950 -3.057892      4.992373  
1 1 1 10  -7  3  f 127.757 2.6459 806.638  33.365  822.963  47.185  790.314  47.185  128.957 3.7071 126.366 3.7830 2.591026       5.296537  
1 1 1 10  -7  4  o 26.880  2.8398 36.114   7.4205  34.097   9.5534  39.181   11.782  25.968  3.8433 27.778  4.4471 -1.810457      5.877734  
1 1 1 10  -7  5  o 154.102 6.5830 1182.43  100.131 1173.19  141.681 1191.66  141.531 152.507 9.4588 153.736 9.3717 -1.229706      13.31537  
1 1 1 10  -7  6  o 15.772  5.9815 8.7530   12.817  6.8929   17.952  10.687   18.305  17.214  6.9147 18.325  7.0978 -1.111067      9.909195  
1 1 1 10  -7  7  o 29.278  1.0783 42.316   3.1161  29.171   4.3686  55.932   4.4462  24.234  1.8401 33.659  1.3383 -9.424894      2.275311  
1 1 1 10  -7  8  o 62.812  1.3304 194.785  8.2482  201.525  11.316  187.145  12.048  63.879  1.7947 61.553  1.9830 2.326057       2.674568  
1 1 1 10  -7  9  o 138.590 1.9935 948.748  27.270  973.180  40.252  928.022  37.073  140.294 2.9068 137.014 2.7413 3.279480       3.995572  
1 1 1 10  -7  10 o 38.268  1.2973 72.302   4.9004  71.033   6.1172  74.576   8.1871  37.927  1.6341 38.793  2.1465 -0.8666382     2.697717  
1 1 1 10  -7  11 o 123.333 1.8391 751.305  22.388  746.562  31.868  755.927  31.459  122.891 2.6272 123.663 2.5773 -0.7723083     3.680367  
1 1 1 10  -7  12 o 84.239  1.4625 350.406  12.161  342.576  16.986  358.640  17.418  83.269  2.0667 85.199  2.0712 -1.929794      2.925908  
1 1 1 10  -7  13 o 153.218 2.2011 1160.21  33.287  1149.51  47.007  1170.98  47.144  152.400 3.1250 153.820 3.1051 -1.419846      4.405354  
1 1 1 10  -7  14 o 71.508  1.3585 252.515  9.5881  257.337  13.328  247.341  13.804  72.167  1.8710 70.746  1.9769 1.420471       2.721911  
1 1 1 10  -7  15 o 33.322  2.3287 55.192   7.6111  90.460   34.322  53.368   7.8055  41.437  8.6702 32.754  2.4317 8.683231       9.004747  
1 1 1 10  -7  16 f 84.798  1.4921 355.289  12.489  367.091  17.720  343.641  17.604  86.148  2.0840 83.346  2.1399 2.802002       2.986983  
1 1 1 10  -7  17 o 79.501  1.4947 312.346  11.729  314.010  16.310  310.563  16.880  79.664  2.0743 79.217  2.1588 0.4470215      2.993824  
1 1 1 10  -7  18 o 29.037  1.9765 41.909   5.6310  40.005   8.4453  43.433   7.5556  28.220  3.0821 29.485  2.6236 -1.265141      4.047498  
1 1 1 10  -7  19 o 90.482  1.8212 405.021  16.265  399.832  27.822  407.715  20.048  89.685  3.1430 90.726  2.2387 -1.040451      3.858766  
1 1 1 10  -6  0  o 135.189 6.3972 908.488  85.362  924.861  120.814 892.167  120.625 135.618 9.0778 133.147 9.2356 2.471848       12.95005  
1 1 1 10  -6  1  o 193.812 6.9704 1869.50  133.344 1925.56  188.675 1813.56  188.478 195.908 9.7573 189.763 10.099 6.145798       14.04266  
1 1 1 10  -6  2  o 95.847  6.1534 458.209  57.906  475.589  82.015  440.934  81.769  97.168  8.6416 93.457  8.9746 3.710510       12.45879  
1 1 1 10  -6  3  o 128.198 6.3370 816.835  80.186  794.578  113.262 839.202  113.539 125.630 9.1979 129.191 8.9592 -3.561333      12.84015  
1 1 1 10  -6  4  o 192.518 6.9551 1845.16  132.162 1800.69  186.889 1889.65  186.922 189.039 10.052 193.760 9.8057 -4.721161      14.04274  
1 1 1 10  -6  5  o 94.885  6.2080 449.398  57.821  468.857  81.803  429.970  81.739  96.416  8.6891 92.201  9.1004 4.214867       12.58249  
1 1 1 10  -6  6  o 110.732 6.2774 611.665  68.328  626.448  96.626  596.880  96.635  111.487 8.8537 108.747 9.0861 2.739822       12.68644  
1 1 1 10  -6  7  o 247.367 7.6450 3054.99  186.662 3018.13  263.883 3091.91  264.077 244.404 10.939 247.439 10.813 -3.035370      15.38081  
1 1 1 10  -6  8  o 119.095 6.3265 707.628  74.102  704.217  104.874 711.030  104.718 118.141 9.0627 118.731 9.0026 -0.5901794     12.77414  
1 1 1 10  -6  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -6  10 o 42.149  6.6434 90.595   26.723  92.357   37.072  88.690   38.556  42.093  9.1814 41.180  9.6536 0.9124680      13.32254  
1 1 1 10  -6  11 o 156.620 3.7008 1214.28  57.210  1175.38  143.747 1221.59  62.362  152.493 9.5993 157.049 4.0230 -4.555984      10.40823  
1 1 1 10  -6  12 o 46.248  1.3684 105.602  6.2466  97.727   8.3393  115.669  9.4287  44.481  1.8994 48.390  1.9741 -3.909531      2.739475  
1 1 1 10  -6  13 o 98.497  1.6295 479.121  15.842  457.016  22.076  502.589  22.747  96.165  2.3258 100.848 2.2852 -4.683273      3.260642  
1 1 1 10  -6  14 o 200.431 2.7812 1986.97  55.021  1997.42  77.770  1976.51  77.852  200.737 3.9251 199.678 3.9501 1.059006       5.568637  
1 1 1 10  -6  15 o 39.012  1.2733 75.153   4.9029  77.384   6.1185  71.150   8.1957  39.581  1.5661 37.874  2.2018 1.707085       2.701983  
1 1 1 10  -6  16 o 37.814  7.0214 74.211   25.242  62.415   36.107  85.487   35.302  34.443  10.018 40.167  9.1132 -5.723850      13.54327  
1 1 1 10  -6  17 o 104.182 1.6720 536.441  17.193  534.983  23.636  538.078  25.057  103.973 2.3031 104.256 2.4349 -0.2833939     3.351630  
1 1 1 10  -6  18 o 79.932  1.5393 315.760  12.144  323.254  17.296  308.473  17.056  80.819  2.1682 78.947  2.1888 1.871483       3.080836  
1 1 1 10  -6  19 o 17.734  1.3262 15.625   2.3046  15.836   2.4462  13.957   6.8737  17.847  1.3998 16.415  4.2193 1.432093       4.445462  
1 1 1 10  -5  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -5  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -5  2  o 50.593  1.4685 126.365  7.3331  120.015  10.369  132.718  10.372  49.297  2.1309 51.841  2.0271 -2.544983      2.941091  
1 1 1 10  -5  3  o 131.029 2.7008 848.251  34.930  813.400  49.398  883.102  49.398  128.230 3.9029 133.624 3.7454 -5.393677      5.409284  
1 1 1 10  -5  4  o 178.059 3.5774 1567.89  62.874  1569.78  88.907  1566.00  88.927  177.986 5.0608 177.770 5.0681 0.2156067      7.162158  
1 1 1 10  -5  5  o 57.851  1.6766 165.246  9.5738  173.685  13.664  157.108  13.418  59.297  2.3347 56.395  2.4105 2.902340       3.355777  
1 1 1 10  -5  6  o 204.797 7.1021 2088.08  143.563 2068.03  203.068 2108.11  202.990 202.897 10.140 204.890 10.037 -1.992981      14.26765  
1 1 1 10  -5  7  o 176.363 6.7835 1547.97  118.086 1539.75  166.969 1556.20  167.028 174.875 9.7115 175.827 9.6614 -0.9521484     13.69877  
1 1 1 10  -5  8  o 36.825  6.5256 69.437   22.851  61.447   32.454  77.292   32.180  34.430  9.3212 38.555  8.6669 -4.125160      12.72792  
1 1 1 10  -5  9  o 103.131 6.1321 530.606  62.139  490.854  87.548  570.964  88.212  98.532  9.1050 106.493 8.4619 -7.960846      12.43000  
1 1 1 10  -5  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -5  11 o 102.131 6.2289 520.817  62.492  543.964  88.551  497.852  88.203  103.819 8.7223 99.189  9.1111 4.630066       12.61308  
1 1 1 10  -5  12 o 125.311 6.4025 783.817  78.926  771.400  110.755 796.628  112.502 123.591 9.1440 125.608 9.1368 -2.017204      12.92650  
1 1 1 10  -5  13 o 117.695 2.5599 684.648  29.738  697.060  44.477  674.614  39.991  118.650 3.7978 116.756 3.4702 1.894279       5.144474  
1 1 1 10  -5  14 o 37.121  1.1106 68.025   4.0690  72.006   5.6810  63.830   5.8309  38.187  1.5072 35.951  1.6432 2.235332       2.229759  
1 1 1 10  -5  15 o 69.300  1.4128 237.144  9.6641  241.247  13.753  233.141  13.582  69.877  1.9941 68.693  2.0032 1.184311       2.826533  
1 1 1 10  -5  16 o 177.003 2.4228 1549.34  42.328  1495.39  61.889  1596.76  58.021  173.678 3.6102 179.541 3.2740 -5.862381      4.873708  
1 1 1 10  -5  17 o 117.794 2.4026 686.478  27.934  679.516  28.973  778.374  105.258 117.182 2.5049 123.313 8.7038 -6.130836      9.057108  
1 1 1 10  -5  18 o 22.850  2.1841 26.066   4.8658  28.065   6.6706  23.793   7.1133  23.616  2.9243 21.626  3.4483 1.989981       4.521296  
1 1 1 10  -5  19 o 89.683  1.6785 397.603  14.858  400.317  20.800  394.776  21.232  89.917  2.3436 89.284  2.4093 0.6326752      3.361127  
1 1 1 10  -5  20 o 62.827  1.4909 195.085  9.2456  204.145  13.436  186.936  12.742  64.222  2.1196 61.457  2.1006 2.764896       2.984131  
1 1 1 10  -4  0  o 153.712 2.2110 1166.84  33.545  1174.05  47.314  1159.57  47.566  154.133 3.1100 153.178 3.1460 0.9559631      4.423749  
1 1 1 10  -4  1  o 106.169 1.5461 556.468  16.202  561.299  22.811  551.550  23.016  106.612 2.1677 105.681 2.2065 0.9311142      3.093140  
1 1 1 10  -4  2  o 147.355 1.9975 1072.18  29.052  1063.29  40.990  1081.15  41.182  146.704 2.8307 147.931 2.8204 -1.227158      3.996001  
1 1 1 10  -4  3  o 34.648  1.8324 59.440   6.2443  58.943   9.9963  59.758   7.9963  34.411  2.9723 34.705  2.3481 -0.2943611     3.787932  
1 1 1 10  -4  4  o 117.701 1.8454 684.015  21.439  679.963  30.413  688.017  30.225  117.323 2.6263 118.017 2.5947 -0.6941452     3.691898  
1 1 1 10  -4  5  o 90.651  1.4430 405.677  12.911  385.507  17.978  427.161  18.554  88.355  2.0614 93.007  2.0212 -4.652077      2.886967  
1 1 1 10  -4  6  o 112.279 1.8159 622.470  20.125  605.886  28.461  639.053  28.460  110.743 2.6037 113.737 2.5351 -2.993805      3.634045  
1 1 1 10  -4  7  o 108.194 1.5361 577.934  16.404  591.450  22.342  562.124  24.163  109.435 2.0684 106.679 2.2948 2.756149       3.089407  
1 1 1 10  -4  8  f 147.417 2.0913 1073.33  30.430  1017.30  42.954  1129.78  43.114  143.458 3.0335 151.192 2.8891 -7.734634      4.189162  
1 1 1 10  -4  9  o 330.611 5.1136 5420.39  166.869 5268.10  236.015 5572.62  235.961 325.100 7.3551 334.456 7.1477 -9.355957      10.25610  
1 1 1 10  -4  10 o 110.507 6.2366 609.051  67.748  648.846  96.068  569.679  95.555  113.540 8.6371 106.203 9.2066 7.337563       12.62382  
1 1 1 10  -4  11 o 171.980 7.8106 1477.27  132.585 1512.82  229.796 1459.52  162.329 171.451 13.693 170.133 9.7069 1.318054       16.78480  
1 1 1 10  -4  12 o 94.617  6.1872 447.119  57.464  480.791  81.481  413.800  81.053  97.621  8.5423 90.343  9.2186 7.278076       12.56794  
1 1 1 10  -4  13 o 121.488 6.3572 736.617  75.966  781.464  107.616 692.075  107.249 124.514 8.8133 116.979 9.3672 7.535156       12.86148  
1 1 1 10  -4  14 o 228.686 3.7667 2589.28  85.023  2557.83  119.769 2621.23  120.717 226.923 5.3473 229.725 5.3239 -2.801468      7.545649  
1 1 1 10  -4  15 o 46.930  1.2012 108.734  5.5640  113.065  7.0519  101.590  9.0563  47.851  1.4931 45.347  2.0233 2.503868       2.514578  
1 1 1 10  -4  16 o 68.956  1.4069 234.802  9.5759  229.924  13.323  240.015  13.773  68.217  1.9787 69.697  2.0020 -1.480072      2.814861  
1 1 1 10  -4  17 o 88.669  1.5000 388.330  13.128  364.251  18.072  415.235  19.103  85.841  2.1329 91.654  2.1116 -5.812347      3.001334  
1 1 1 10  -4  18 o 18.977  2.6548 18.173   4.8365  20.971   6.5855  14.897   7.1261  20.289  3.4095 16.976  4.2598 3.312498       5.456217  
1 1 1 10  -4  19 o 52.591  1.4772 136.661  7.6681  133.968  10.583  139.638  11.126  52.041  2.0602 53.127  2.1218 -1.086075      2.957456  
1 1 1 10  -4  20 o 83.510  1.6145 344.715  13.308  343.389  19.005  345.991  18.642  83.281  2.3120 83.602  2.2591 -0.3209915     3.232433  
1 1 1 10  -4  21 o 55.707  1.4689 153.374  8.0765  137.735  10.501  176.019  12.637  52.757  2.0167 59.629  2.1470 -6.872189      2.945632  
1 1 1 10  -3  0  o 102.218 1.3770 515.782  13.893  522.589  19.548  508.835  19.748  102.879 1.9251 101.515 1.9708 1.364021       2.755035  
1 1 1 10  -3  1  o 173.930 2.1900 1493.84  37.597  1473.41  53.060  1514.45  53.281  172.686 3.1130 175.076 3.0833 -2.390472      4.381466  
1 1 1 10  -3  2  o 221.096 3.0446 2415.12  66.443  2351.17  93.819  2479.47  94.111  218.025 4.3596 223.906 4.2584 -5.881088      6.094254  
1 1 1 10  -3  3  o 149.992 2.0276 1110.83  30.019  1102.33  42.329  1119.42  42.577  149.381 2.8708 150.534 2.8656 -1.153427      4.056258  
1 1 1 10  -3  4  o 173.522 2.4226 1487.03  41.492  1498.79  58.793  1475.36  58.566  174.146 3.4204 172.778 3.4342 1.367798       4.846941  
1 1 1 10  -3  5  o 201.471 2.5905 2004.91  51.514  1938.78  75.958  2061.22  70.098  198.017 3.8863 204.212 3.4777 -6.195236      5.215145  
1 1 1 10  -3  6  o 67.479  1.2713 224.768  8.4677  222.269  11.905  227.326  12.046  67.096  1.7977 67.855  1.7986 -0.7590179     2.542952  
1 1 1 10  -3  7  o 114.913 1.7322 651.971  19.647  628.586  26.228  681.874  29.659  112.812 2.3554 117.488 2.5575 -4.676071      3.476931  
1 1 1 10  -3  8  o 197.861 3.5601 1935.91  69.528  1794.45  191.081 1957.50  74.645  188.856 10.290 198.933 3.8015 -10.07719      10.96930  
1 1 1 10  -3  9  f 67.196  1.2473 222.899  8.2724  224.137  11.264  221.449  12.189  67.375  1.6938 66.967  1.8440 0.4081345      2.503856  
1 1 1 10  -3  10 o 165.881 2.3483 1359.35  38.449  1379.11  54.189  1339.30  54.565  167.003 3.2874 164.568 3.3592 2.435394       4.700109  
1 1 1 10  -3  11 o 116.699 6.2938 679.033  72.228  688.282  102.204 669.805  102.088 116.897 8.9254 115.277 9.0448 1.619751       12.70710  
1 1 1 10  -3  12 o 129.600 6.3719 835.487  81.509  845.374  115.326 825.618  115.217 129.541 9.0769 127.981 9.1819 1.560158       12.91114  
1 1 1 10  -3  13 o 105.286 6.2406 553.256  64.563  562.106  91.500  544.481  91.114  105.534 8.8662 103.826 8.9792 1.707993       12.61885  
1 1 1 10  -3  14 o 104.411 6.2354 544.331  63.967  578.355  90.735  510.712  90.194  107.074 8.6595 100.432 9.2007 6.641617       12.63486  
1 1 1 10  -3  15 o 207.067 2.7912 2119.81  57.048  2063.01  82.348  2172.24  79.105  204.067 4.0883 209.449 3.8264 -5.382019      5.599659  
1 1 1 10  -3  16 o 110.137 1.7344 599.103  18.854  555.715  27.985  635.167  25.514  106.018 2.6743 113.372 2.2800 -7.353897      3.514358  
1 1 1 10  -3  17 o 41.379  1.2680 84.543   5.1788  90.932   6.2397  70.398   9.2846  42.911  1.4732 37.649  2.5129 5.261417       2.912926  
1 1 1 10  -3  18 o 113.328 1.7596 634.577  19.683  624.473  26.743  646.521  29.076  112.365 2.4113 114.313 2.5769 -1.948692      3.529123  
1 1 1 10  -3  19 o 73.652  1.4317 267.979  10.408  265.472  14.171  270.917  15.338  73.276  1.9593 74.013  2.0995 -0.7376633     2.871739  
1 1 1 10  -3  20 o 27.982  1.3467 38.681   3.7194  36.401   4.1147  48.862   8.6957  27.096  1.5449 31.266  2.8490 -4.169783      3.240919  
1 1 1 10  -3  21 o 38.598  1.9052 73.690   7.2584  86.149   10.539  62.451   10.011  41.617  2.5785 35.366  2.8931 6.250919       3.875399  
1 1 1 10  -3  22 o 106.088 1.8116 556.736  18.970  559.619  27.771  554.213  25.975  106.222 2.6487 105.739 2.4888 0.4836807      3.634559  
1 1 1 10  -2  0  o 267.432 3.1582 3533.72  83.365  3356.07  117.724 3712.42  118.070 260.457 4.5792 273.967 4.3662 -13.50928      6.327206  
1 1 1 10  -2  1  o 25.528  0.8939 32.164   2.2523  38.370   3.1554  25.718   3.2160  27.881  1.1466 22.780  1.4377 5.101109       1.838920  
1 1 1 10  -2  2  o 360.269 4.1083 6416.99  146.091 6288.47  206.531 6545.69  206.676 356.312 5.8725 363.551 5.7596 -7.239166      8.225509  
1 1 1 10  -2  3  o 188.092 2.7753 1747.41  51.525  1715.69  72.865  1779.14  72.869  186.299 3.9626 189.718 3.8914 -3.419220      5.553793  
1 1 1 10  -2  4  o 76.196  1.3596 286.584  10.225  274.783  14.458  298.392  14.463  74.603  1.9635 77.743  1.8848 -3.140106      2.721711  
1 1 1 10  -2  5  o 153.233 2.2840 1159.47  34.545  1149.43  48.622  1169.70  49.090  152.525 3.2297 153.863 3.2324 -1.338547      4.569400  
1 1 1 10  -2  6  o 110.810 1.8408 606.222  20.134  594.913  28.474  617.530  28.473  109.749 2.6286 111.817 2.5798 -2.068420      3.683061  
1 1 1 10  -2  7  o 212.042 2.9199 2221.35  61.111  2157.12  86.185  2286.29  86.665  208.835 4.1811 215.008 4.0837 -6.172440      5.844546  
1 1 1 10  -2  8  o 35.978  1.0035 63.889   3.5637  55.546   5.0277  72.313   5.0519  33.543  1.5186 38.274  1.3373 -4.730400      2.023453  
1 1 1 10  -2  9  o 140.570 2.6762 976.258  37.131  849.572  121.380 989.337  39.001  129.969 9.5282 141.501 2.7924 -11.53281      9.928956  
1 1 1 10  -2  10 o 105.101 1.5383 545.366  15.958  542.370  22.340  548.487  22.803  104.792 2.1598 105.380 2.1923 -0.5880737     3.077482  
1 1 1 10  -2  11 o 91.117  1.4247 409.886  12.813  422.725  17.912  396.434  18.335  92.518  1.9615 89.591  2.0734 2.926849       2.854233  
1 1 1 10  -2  12 o 100.020 6.1984 499.123  60.891  491.916  86.274  506.276  85.953  98.714  8.9519 100.198 8.7796 -1.483887      12.53866  
1 1 1 10  -2  13 o 103.642 6.2058 535.957  63.192  549.118  89.539  522.898  89.197  104.352 8.7746 101.764 8.9720 2.588280       12.54951  
1 1 1 10  -2  14 o 104.713 6.2319 547.247  64.119  569.476  90.889  525.224  90.469  106.262 8.7432 101.934 9.0871 4.328354       12.61030  
1 1 1 10  -2  15 o 42.285  3.0048 88.854   12.459  88.739   37.095  88.869   13.228  41.229  9.3328 42.269  3.1941 -1.040146      9.864258  
1 1 1 10  -2  16 o 180.553 2.3780 1610.95  42.379  1574.68  59.735  1647.71  60.131  178.387 3.3926 182.485 3.3384 -4.097244      4.759706  
1 1 1 10  -2  17 o 152.864 2.1283 1154.60  32.113  1096.14  46.515  1207.84  44.388  148.835 3.1663 156.271 2.8778 -7.435684      4.278665  
1 1 1 10  -2  18 o 136.014 2.0218 914.194  27.143  921.650  37.872  906.320  38.921  136.483 2.8113 135.331 2.9137 1.152603       4.048865  
1 1 1 10  -2  19 o 237.888 3.9468 2810.50  92.673  2689.31  252.513 2829.36  99.624  227.680 11.236 238.573 4.2307 -10.89317      12.00643  
1 1 1 10  -2  20 o 69.832  1.4752 240.934  10.168  226.251  13.644  259.282  15.251  67.637  2.0437 72.399  2.1342 -4.762047      2.954895  
1 1 1 10  -2  21 o 130.166 1.9117 837.963  24.562  826.869  34.583  849.254  34.890  129.163 2.7127 130.902 2.7003 -1.739227      3.827575  
1 1 1 10  -2  22 o 31.452  2.4071 49.286   7.4160  49.506   11.715  49.138   9.5800  31.290  3.8760 31.301  3.1433 -0.1079178E-01 4.990341  
1 1 1 10  -1  0  o 113.289 1.9483 633.664  21.786  619.596  30.811  647.730  30.810  112.000 2.7871 114.517 2.7258 -2.516693      3.898452  
1 1 1 10  -1  1  o 264.709 3.4714 3462.36  90.699  3399.41  128.289 3525.27  128.246 262.125 4.9585 266.945 4.8673 -4.820465      6.948195  
1 1 1 10  -1  2  o 363.491 5.2686 6538.19  189.027 6507.77  257.023 6574.02  278.974 362.225 7.1889 363.912 7.7666 -1.687256      10.58303  
1 1 1 10  -1  3  o 158.584 2.3541 1241.80  36.848  1236.33  52.141  1247.24  52.082  158.193 3.3393 158.890 3.3209 -0.6975250     4.709514  
1 1 1 10  -1  4  o 129.150 1.8657 823.450  23.784  801.333  33.318  846.429  33.961  127.382 2.6500 130.918 2.6282 -3.535927      3.732223  
1 1 1 10  -1  5  o 174.056 2.7336 1496.24  46.964  1449.46  66.415  1543.03  66.418  171.246 3.9293 176.696 3.8083 -5.449356      5.471955  
1 1 1 10  -1  6  o 271.717 3.5361 3648.40  94.836  3638.88  133.945 3657.98  134.292 271.185 5.0041 271.896 5.0040 -0.7107239     7.076773  
1 1 1 10  -1  7  o 92.162  1.4756 419.288  13.424  395.059  19.095  442.960  18.874  89.447  2.1628 94.718  2.0189 -5.270782      2.958666  
1 1 1 10  -1  8  o 192.044 2.4471 1821.49  46.386  1741.09  65.385  1902.96  65.818  187.683 3.5296 196.224 3.3983 -8.541367      4.899590  
1 1 1 10  -1  9  o 182.747 2.8914 1650.08  52.155  1576.30  78.630  1708.05  69.693  178.472 4.4636 185.852 3.7992 -7.379410      5.861536  
1 1 1 10  -1  10 o 190.488 6.9090 1803.86  129.902 1759.81  183.646 1847.97  183.771 187.160 9.9772 191.883 9.7349 -4.723801      13.93959  
1 1 1 10  -1  11 o 21.049  0.9250 21.869   1.9218  23.891   2.6713  19.700   2.7668  21.965  1.2372 19.926  1.4160 2.038809       1.880338  
1 1 1 10  -1  12 o 43.913  0.9228 95.182   3.9999  94.705   5.6583  95.659   5.6550  43.799  1.3088 44.020  1.3015 -0.2203026     1.845817  
1 1 1 10  -1  13 o 99.235  6.1718 491.309  60.153  519.507  85.146  463.214  84.991  101.555 8.5745 95.728  9.1046 5.826767       12.50664  
1 1 1 10  -1  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  -1  15 o 59.422  6.2208 177.503  35.945  171.644  50.953  183.307  50.716  57.790  9.2442 59.855  8.8514 -2.064716      12.79851  
1 1 1 10  -1  16 o 197.792 2.7562 1933.92  53.809  1885.79  83.444  1968.17  70.401  195.078 4.3336 199.423 3.5766 -4.345078      5.618948  
1 1 1 10  -1  17 o 135.238 1.9339 903.421  25.814  876.660  36.247  930.962  36.772  133.158 2.7578 137.224 2.7149 -4.065964      3.869933  
1 1 1 10  -1  18 o 126.712 1.9023 793.198  23.792  808.305  32.621  776.029  34.776  127.858 2.5849 125.258 2.8128 2.600327       3.820161  
1 1 1 10  -1  19 o 89.497  1.5540 395.625  13.728  377.473  18.927  415.776  19.941  87.383  2.1944 91.708  2.2030 -4.325806      3.109424  
1 1 1 10  -1  20 o 117.602 6.3462 696.720  73.392  679.180  103.575 714.407  104.011 114.828 9.2161 117.894 9.0065 -3.065575      12.88617  
1 1 1 10  -1  21 o 94.441  1.6451 440.824  15.335  464.732  22.141  418.784  21.259  96.898  2.3150 91.980  2.3416 4.917938       3.292776  
1 1 1 10  -1  22 f 53.272  1.5613 140.263  8.2097  133.344  10.599  150.638  12.980  51.913  2.0685 55.154  2.3842 -3.240604      3.156496  
1 1 1 10  -1  23 o 45.341  1.8295 101.691  8.1877  96.378   13.358  104.887  10.362  43.940  3.1000 46.019  2.2814 -2.079319      3.848938  
1 1 1 10  0   0  o 136.886 1.8520 925.075  25.023  942.994  35.293  906.963  35.483  138.182 2.5876 135.514 2.6528 2.667999       3.705820  
1 1 1 10  0   1  o 180.313 2.3038 1605.40  41.002  1614.46  57.900  1596.28  58.071  180.776 3.2449 179.754 3.2730 1.022644       4.608907  
1 1 1 10  0   2  o 161.485 2.0491 1287.47  32.661  1297.17  46.102  1277.69  46.278  162.062 2.8821 160.839 2.9151 1.222717       4.099283  
1 1 1 10  0   3  f 212.598 2.9524 2232.32  61.954  2167.20  87.611  2297.45  87.622  209.389 4.2391 215.599 4.1175 -6.210281      5.909641  
1 1 1 10  0   4  o 177.083 2.2895 1548.30  40.017  1578.18  56.702  1518.65  56.484  178.743 3.2140 175.337 3.2638 3.405853       4.580577  
1 1 1 10  0   5  o 214.590 2.9923 2274.42  63.378  2217.23  89.387  2332.24  89.877  211.786 4.2760 217.217 4.1920 -5.430344      5.988102  
1 1 1 10  0   6  o 105.614 1.7310 550.638  18.045  528.303  25.039  574.772  26.028  103.435 2.4526 107.888 2.4442 -4.453331      3.462560  
1 1 1 10  0   7  o 158.641 2.4775 1242.82  38.794  1238.91  54.864  1246.72  54.861  158.342 3.5104 158.841 3.4992 -0.4993134     4.956539  
1 1 1 10  0   8  o 90.744  1.5184 406.494  13.600  405.187  18.888  407.901  19.599  90.587  2.1124 90.889  2.1847 -0.3012924     3.038942  
1 1 1 10  0   9  o 94.955  1.4533 445.093  13.621  428.470  18.674  463.995  19.913  93.153  2.0310 96.937  2.0812 -3.783600      2.907936  
1 1 1 10  0   10 o 114.053 1.9001 642.293  21.390  604.987  31.037  676.045  29.521  110.656 2.8416 116.987 2.5566 -6.330643      3.822443  
1 1 1 10  0   11 o 256.946 4.3702 3267.99  110.834 3306.33  121.221 3072.59  273.655 258.379 4.7532 247.100 11.220 11.27817       12.18539  
1 1 1 10  0   12 o 232.770 3.1467 2678.51  72.297  2721.43  102.422 2635.90  102.065 234.434 4.4263 230.710 4.4821 3.723083       6.299272  
1 1 1 10  0   13 o 174.957 6.7653 1523.22  116.830 1533.35  165.286 1513.11  165.158 174.548 9.6310 173.368 9.6903 1.179352       13.66232  
1 1 1 10  0   14 o 267.181 7.8951 3564.61  208.207 3622.68  294.496 3506.57  294.403 267.803 11.141 263.376 11.325 4.426849       15.88640  
1 1 1 10  0   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  0   16 o 112.881 1.6829 629.218  18.751  627.735  26.224  630.770  26.820  112.716 2.3571 112.985 2.4050 -0.2694397     3.367481  
1 1 1 10  0   17 o 28.351  1.3333 39.684   3.7310  43.408   8.0274  38.658   4.2138  29.500  2.7900 27.938  1.5339 1.562321       3.183852  
1 1 1 10  0   18 f 126.407 1.8480 789.271  23.057  793.358  33.259  785.490  31.993  126.675 2.6600 126.053 2.5714 0.6222992      3.699691  
1 1 1 10  0   19 o 68.993  1.5062 235.083  10.257  222.450  13.931  250.039  15.158  67.092  2.1037 71.128  2.1591 -4.036308      3.014549  
1 1 1 10  0   20 o 76.546  1.5009 289.421  11.340  265.519  15.409  317.660  16.748  73.285  2.1302 80.159  2.1168 -6.874252      3.003129  
1 1 1 10  0   21 o 18.133  4.9007 16.968   8.9801  12.378   9.6902  44.884   23.898  16.065  5.2813 29.226  8.0350 -13.16079      9.615264  
1 1 1 10  0   22 o 36.521  1.9977 66.171   7.1740  71.506   10.554  61.589   9.7815  37.870  2.8442 35.130  2.8454 2.739975       4.023094  
1 1 1 10  0   23 o 22.149  3.4493 24.961   7.2955  25.196   11.683  24.811   9.3405  21.963  5.4218 21.896  4.4731 0.6771851E-01  7.028819  
1 1 1 10  1   0  o 276.983 7.9610 3811.18  217.649 3830.65  307.792 3791.72  307.812 276.784 11.266 275.355 11.326 1.428925       15.97496  
1 1 1 10  1   1  o 140.346 1.9289 972.433  26.720  896.918  37.437  1050.85  38.150  134.760 2.8146 145.873 2.6496 -11.11247      3.865506  
1 1 1 10  1   2  o 134.214 1.7889 889.245  23.698  845.506  33.167  934.866  33.873  130.852 2.5680 137.595 2.4941 -6.743317      3.579839  
1 1 1 10  1   3  o 58.340  1.1250 167.991  6.4781  160.222  8.6507  177.911  9.7746  56.973  1.5383 60.034  1.6496 -3.061710      2.255559  
1 1 1 10  1   4  o 393.408 4.8391 7653.11  187.905 7582.55  265.764 7723.63  265.711 391.201 6.8828 394.838 6.8180 -3.637115      9.688009  
1 1 1 10  1   5  o 169.957 2.8913 1426.55  48.503  1387.90  68.592  1465.20  68.596  167.576 4.1469 172.186 4.0361 -4.609985      5.786832  
1 1 1 10  1   6  o 231.318 3.1820 2643.06  72.651  2577.73  102.541 2708.91  102.949 228.336 4.5498 234.082 4.4557 -5.746506      6.368187  
1 1 1 10  1   7  o 158.501 2.3357 1240.47  36.542  1229.25  54.322  1249.75  49.385  157.733 3.4892 159.059 3.1456 -1.326523      4.697805  
1 1 1 10  1   8  o 216.176 3.0444 2308.49  64.959  2389.11  87.588  2209.94  96.840  219.839 4.0365 211.378 4.6415 8.460800       6.151170  
1 1 1 10  1   9  o 141.093 1.9518 982.885  27.181  996.881  38.449  968.902  38.431  142.064 2.7420 140.055 2.7800 2.009521       3.904743  
1 1 1 10  1   10 o 146.397 2.2529 1058.40  32.554  1065.26  43.861  1049.99  48.577  146.832 3.0264 145.755 3.3765 1.076767       4.534320  
1 1 1 10  1   11 o 195.552 2.6689 1889.19  51.514  1908.37  72.890  1870.06  72.815  196.442 3.7592 194.457 3.7937 1.985382       5.340800  
1 1 1 10  1   12 o 91.720  2.0433 415.457  18.499  411.984  19.026  475.484  79.104  91.334  2.1105 97.268  8.3194 -5.934586      8.582916  
1 1 1 10  1   13 o 117.022 2.3219 676.478  26.820  670.694  38.259  682.066  37.607  116.463 3.3282 117.452 3.2440 -0.9889374     4.647618  
1 1 1 10  1   14 o 193.577 6.9643 1865.94  133.064 1870.00  188.187 1861.87  188.176 192.662 9.9298 192.234 9.9516 0.4286194      14.05826  
1 1 1 10  1   15 o 237.890 7.5149 2823.48  176.454 2884.29  249.637 2762.76  249.450 239.173 10.575 233.972 10.802 5.200516       15.11609  
1 1 1 10  1   16 o 105.374 1.6710 548.292  17.380  546.382  24.277  550.301  24.893  105.161 2.3388 105.535 2.3897 -0.3739471     3.343777  
1 1 1 10  1   17 o 88.659  1.5587 388.127  13.640  399.499  19.373  376.949  19.207  89.925  2.1827 87.349  2.2277 2.576729       3.118781  
1 1 1 10  1   18 o 57.897  1.5892 165.528  9.0814  152.641  12.435  180.257  13.294  55.580  2.2667 60.400  2.2299 -4.820004      3.179695  
1 1 1 10  1   19 o 170.673 2.5890 1440.25  43.614  1407.92  54.398  1498.43  72.975  168.654 3.2678 173.812 4.2536 -5.158386      5.363939  
1 1 1 10  1   20 o 69.834  1.7582 240.932  12.119  253.681  23.554  236.342  14.133  71.558  3.3348 69.151  2.0706 2.407204       3.925325  
1 1 1 10  1   21 o 77.004  1.6234 292.976  12.339  334.771  19.210  263.624  16.098  82.259  2.3660 73.007  2.2340 9.252792       3.254030  
1 1 1 10  1   22 o 78.472  1.6710 304.369  12.943  284.756  18.940  321.553  17.728  75.827  2.5305 80.609  2.2282 -4.782158      3.371716  
1 1 1 10  1   23 o 88.543  1.7101 387.602  14.945  392.201  22.349  383.882  20.101  88.971  2.5449 88.052  2.3128 0.9184723      3.438856  
1 1 1 10  1   24 o 25.114  3.1803 31.834   7.7067  24.157   11.669  37.774   10.264  21.494  5.4826 27.249  3.9297 -5.754852      6.745445  
1 1 1 10  2   0  o 38.889  0.8851 74.642   3.3973  74.064   4.7996  75.223   4.8094  38.736  1.2553 39.038  1.2482 -0.3018761     1.770236  
1 1 1 10  2   1  o 246.820 4.0890 3011.29  99.615  3065.04  108.551 2724.58  250.719 248.980 4.4171 233.652 10.871 15.32719       11.73446  
1 1 1 10  2   2  o 138.554 1.8633 947.705  25.482  922.917  35.692  973.474  36.393  136.709 2.6451 140.404 2.6260 -3.695099      3.727294  
1 1 1 10  2   3  o 272.162 3.4355 3659.20  92.289  3661.43  130.411 3656.97  130.623 272.111 4.8555 271.944 4.8664 0.1667786      6.874421  
1 1 1 10  2   4  o 90.583  1.5558 405.028  13.910  405.599  19.632  404.452  19.712  90.638  2.1944 90.510  2.2065 0.1284637      3.111977  
1 1 1 10  2   5  o 241.846 3.4397 2889.33  82.109  2828.67  116.119 2949.99  116.121 239.173 4.9188 244.259 4.8165 -5.085297      6.884230  
1 1 1 10  2   6  o 229.879 2.9719 2609.89  67.433  2582.79  95.188  2637.19  95.543  228.597 4.2187 230.994 4.1905 -2.397018      5.946218  
1 1 1 10  2   7  o 238.800 3.3747 2817.13  79.543  2794.14  118.497 2835.98  107.315 237.676 5.0511 239.500 4.5396 -1.824707      6.791339  
1 1 1 10  2   8  o 39.668  1.0864 77.667   4.2536  80.468   6.0152  74.865   6.0158  40.375  1.5094 38.944  1.5650 1.431496       2.174298  
1 1 1 10  2   9  o 81.377  1.3269 326.881  10.658  336.170  14.871  317.073  15.281  82.518  1.8259 80.139  1.9319 2.379875       2.658177  
1 1 1 10  2   10 o 176.951 2.3030 1546.26  40.224  1562.57  56.920  1529.99  56.850  177.826 3.2429 175.961 3.2733 1.865280       4.607727  
1 1 1 10  2   11 o 96.409  1.5489 458.856  14.739  455.798  21.042  461.802  20.651  96.070  2.2190 96.703  2.1636 -0.6322708     3.099202  
1 1 1 10  2   12 o 140.847 2.0853 979.686  28.990  983.721  39.334  974.887  42.891  141.097 2.8243 140.445 3.0941 0.6520844      4.189279  
1 1 1 10  2   13 o 94.346  1.8456 439.541  17.187  450.355  21.037  417.837  29.802  95.487  2.2321 91.929  3.2844 3.557175       3.971112  
1 1 1 10  2   14 o 116.369 6.2041 674.858  71.003  688.138  100.512 661.629  100.315 116.952 8.7711 114.624 8.9373 2.328300       12.52227  
1 1 1 10  2   15 o 228.300 7.3864 2598.98  166.446 2646.20  235.520 2551.86  235.260 229.205 10.410 225.002 10.593 4.203430       14.85244  
1 1 1 10  2   16 o 251.440 3.3568 3127.14  83.309  3036.13  117.614 3218.77  118.019 247.461 4.8153 254.825 4.6922 -7.364136      6.723368  
1 1 1 10  2   17 o 230.428 2.9480 2625.22  67.050  2609.36  94.803  2641.09  94.842  229.518 4.1848 230.914 4.1612 -1.395737      5.901503  
1 1 1 10  2   18 o 50.414  1.2917 125.477  6.4274  118.036  10.767  129.596  8.0112  48.877  2.2319 51.229  1.5843 -2.351967      2.737025  
1 1 1 10  2   19 f 72.452  1.3561 259.186  9.6979  242.274  13.212  278.945  14.280  70.032  1.9113 75.145  1.9253 -5.112923      2.712920  
1 1 1 10  2   20 o 46.737  1.5769 107.884  7.2746  102.207  9.0352  118.348  12.266  45.479  2.0127 48.854  2.5525 -3.374378      3.250630  
1 1 1 10  2   21 o 83.528  1.7017 344.722  14.030  351.529  20.266  338.457  19.441  84.298  2.4356 82.720  2.3811 1.577827       3.406175  
1 1 1 10  2   22 o 57.863  1.5644 165.443  8.9348  165.650  14.945  165.328  11.146  57.835  2.6181 57.823  1.9529 0.1158142E-01  3.266237  
1 1 1 10  2   23 o 69.703  1.6765 240.180  11.534  220.265  17.092  256.832  15.629  66.673  2.5973 72.036  2.1982 -5.362770      3.402635  
1 1 1 10  2   24 o 59.782  2.2071 176.939  13.023  182.194  17.532  170.469  19.453  60.589  2.9316 58.457  3.3860 2.132133       4.478751  
1 1 1 10  3   0  o 138.941 1.9234 953.097  26.378  920.299  37.078  986.707  37.534  136.500 2.7520 141.342 2.6904 -4.841690      3.848620  
1 1 1 10  3   1  o 83.219  1.1333 341.823  9.3092  345.434  12.896  337.895  13.451  83.652  1.5619 82.734  1.6472 0.9189072      2.270010  
1 1 1 10  3   2  o 145.839 3.0774 1050.56  44.298  1051.23  47.155  1045.55  129.239 145.877 3.2750 144.737 9.0927 1.140564       9.664534  
1 1 1 10  3   3  o 123.652 2.1084 754.871  25.733  752.908  30.564  759.649  47.689  123.482 2.5077 123.987 3.8968 -0.5049820     4.633938  
1 1 1 10  3   4  f 59.946  1.1922 177.368  7.0541  171.809  9.6215  183.830  10.373  58.996  1.6523 61.025  1.7221 -2.028419      2.386585  
1 1 1 10  3   5  o 153.038 2.5639 1156.45  38.729  1131.24  54.771  1181.67  54.771  151.318 3.6671 154.658 3.5880 -3.339691      5.130421  
1 1 1 10  3   6  o 116.019 1.6251 664.442  18.610  660.264  25.976  668.847  26.674  115.642 2.2758 116.390 2.3219 -0.7482452     3.251212  
1 1 1 10  3   7  o 111.913 1.6689 618.256  18.435  609.186  25.929  627.528  26.216  111.076 2.3650 112.736 2.3560 -1.659927      3.338295  
1 1 1 10  3   8  o 53.590  1.2194 141.752  6.4498  132.825  8.8646  151.795  9.4020  51.871  1.7314 55.452  1.7178 -3.580719      2.438957  
1 1 1 10  3   9  o 158.249 2.5310 1236.72  39.534  1249.23  55.910  1224.20  55.908  158.997 3.5626 157.395 3.5988 1.602722       5.063900  
1 1 1 10  3   10 o 104.406 1.5601 538.117  16.077  547.456  22.830  528.929  22.644  105.294 2.1967 103.497 2.2166 1.797569       3.120724  
1 1 1 10  3   11 o 320.221 4.0424 5071.29  127.767 5155.14  173.962 4973.08  188.263 322.577 5.4637 316.699 6.0226 5.878143       8.131664  
1 1 1 10  3   12 o 115.676 1.8391 660.698  20.998  631.461  30.845  685.950  28.665  113.052 2.7642 117.842 2.4645 -4.790260      3.703287  
1 1 1 10  3   13 o 98.909  3.5179 483.786  34.344  0.0000   0.0000  483.786  34.344  ?       ?      98.909  3.5179 0.000000       3.517939  
1 1 1 10  3   14 o 125.086 6.3298 779.663  77.896  768.118  110.174 791.203  110.149 123.523 9.1005 125.414 8.9572 -1.890335      12.76907  
1 1 1 10  3   15 o 238.862 7.5192 2845.80  177.278 2847.80  250.667 2843.80  250.750 237.671 10.685 237.499 10.697 0.1723785      15.11934  
1 1 1 10  3   16 o 198.753 2.7981 1952.55  54.891  2011.22  77.675  1894.02  77.581  201.569 3.9041 195.591 4.0186 5.978485       5.602779  
1 1 1 10  3   17 o 133.660 1.9780 882.385  26.095  843.473  36.446  923.312  37.378  130.624 2.8268 136.671 2.7708 -6.046860      3.958312  
1 1 1 10  3   18 o 156.887 2.3125 1216.17  35.810  1180.35  50.799  1251.57  50.490  154.461 3.3320 159.066 3.2158 -4.605011      4.630737  
1 1 1 10  3   19 o 116.535 1.8263 670.774  21.007  683.208  30.384  659.386  29.077  117.560 2.6185 115.497 2.5506 2.062759       3.655409  
1 1 1 10  3   20 o 119.508 1.8639 705.561  21.987  656.190  31.874  750.377  30.369  115.178 2.8037 123.196 2.4974 -8.017838      3.754748  
1 1 1 10  3   21 o 27.512  1.3714 37.380   3.7240  39.036   3.9497  24.120   11.178  28.077  1.4299 21.574  5.2899 6.503199       5.479744  
1 1 1 10  3   22 o 49.688  1.5553 121.980  7.6279  115.154  9.4006  135.139  13.051  48.261  1.9735 52.251  2.5306 -3.989929      3.209145  
1 1 1 10  3   23 o 73.371  2.0965 266.345  15.183  263.012  65.051  266.537  15.614  70.628  9.5785 73.392  2.1554 -2.764015      9.817995  
1 1 1 10  3   24 o 65.366  6.3041 218.020  40.169  180.454  56.054  257.676  57.593  57.900  10.180 70.236  8.4792 -12.33657      13.24875  
1 1 1 10  3   25 o 98.939  5.6729 495.974  55.168  505.404  77.792  486.433  78.250  98.596  8.0641 96.580  8.2888 2.016418       11.56433  
1 1 1 10  4   0  o 224.572 3.1571 2491.82  69.982  2429.84  104.255 2542.65  94.413  221.599 4.7665 226.749 4.2185 -5.150101      6.365123  
1 1 1 10  4   1  o 327.167 4.3112 5292.71  139.220 5165.80  188.117 5446.40  207.009 322.948 5.9015 331.514 6.3264 -8.566254      8.651615  
1 1 1 10  4   2  o 46.650  1.1710 107.416  5.3920  116.161  7.2102  96.320   8.1219  48.510  1.5058 44.171  1.8629 4.339291       2.395413  
1 1 1 10  4   3  o 170.697 2.3022 1438.65  38.789  1306.44  54.462  1574.75  55.258  162.620 3.3930 178.553 3.1354 -15.93260      4.619892  
1 1 1 10  4   4  o 102.983 1.7850 523.536  18.144  535.069  22.059  499.417  31.901  104.104 2.1468 100.552 3.2142 3.552208       3.865196  
1 1 1 10  4   5  o 43.258  1.1238 92.360   4.7984  93.385   6.5233  91.152   7.0832  43.496  1.5195 42.972  1.6700 0.5240898      2.257801  
1 1 1 10  4   6  o 13.826  1.1016 9.4950   1.4909  12.155   2.1095  6.8399   2.1074  15.632  1.3814 11.620  1.9034 4.012134       2.351893  
1 1 1 10  4   7  o 174.238 2.1079 1498.83  36.251  1538.83  51.341  1459.08  51.192  176.515 2.9468 171.877 3.0175 4.637924       4.217691  
1 1 1 10  4   8  o 57.423  1.2156 162.755  6.8899  165.145  9.5480  160.159  9.9522  57.840  1.6725 56.959  1.7702 0.8806992      2.435304  
1 1 1 10  4   9  o 198.023 2.9492 1936.90  57.644  1904.19  81.365  1969.87  81.678  196.256 4.2003 199.617 4.1455 -3.360291      5.901473  
1 1 1 10  4   10 o 146.416 2.2152 1058.57  32.013  1111.56  45.566  1006.91  44.986  149.999 3.0777 142.758 3.1926 7.240799       4.434485  
1 1 1 10  4   11 o 115.332 1.9507 656.769  22.206  681.309  30.318  628.367  32.616  117.445 2.6153 112.778 2.9301 4.667671       3.927490  
1 1 1 10  4   12 o 21.372  0.9426 22.544   1.9883  19.622   2.8064  25.489   2.8175  19.885  1.4396 22.688  1.2631 -2.803488      1.915175  
1 1 1 10  4   13 o 106.227 2.4564 557.434  25.756  584.015  36.425  530.855  36.423  108.683 3.3955 103.609 3.5616 5.073921       4.920795  
1 1 1 10  4   14 o 105.854 6.1624 558.538  64.107  546.089  90.581  571.031  90.740  104.103 8.9010 106.517 8.7069 -2.413979      12.45143  
1 1 1 10  4   15 o 35.586  6.4761 64.914   21.909  72.111   31.071  57.797   30.898  37.236  8.6236 33.422  9.1146 3.814442       12.54759  
1 1 1 10  4   16 o 118.415 1.8391 692.482  21.496  702.466  31.519  683.801  29.391  119.221 2.6784 117.636 2.5313 1.585686       3.685331  
1 1 1 10  4   17 o 111.015 1.6925 608.582  18.545  608.902  26.102  608.256  26.354  111.011 2.3821 110.951 2.4065 0.6027985E-01  3.386120  
1 1 1 10  4   18 o 166.816 2.7627 1375.64  45.489  1454.78  73.139  1325.71  58.092  171.340 4.3247 163.666 3.5961 7.673920       5.624485  
1 1 1 10  4   19 o 111.794 1.8622 617.306  20.549  607.122  29.385  627.053  28.746  110.818 2.6865 112.630 2.5858 -1.811455      3.728729  
1 1 1 10  4   20 o 86.183  1.8289 366.897  15.558  371.115  25.996  364.544  19.419  86.607  3.0410 85.884  2.2908 0.7232132      3.807285  
1 1 1 10  4   21 o 196.876 2.6914 1917.55  52.301  1938.65  77.275  1899.71  71.047  197.676 3.9605 195.752 3.6771 1.924240       5.404335  
1 1 1 10  4   22 o 94.427  1.7108 440.595  15.945  449.144  23.062  432.765  22.071  95.275  2.4523 93.528  2.3908 1.747391       3.424871  
1 1 1 10  4   23 o 54.899  1.7086 148.978  9.2585  150.440  15.191  148.115  11.678  55.022  2.8066 54.713  2.1624 0.3089981      3.543008  
1 1 1 10  4   24 o 16.600  6.2213 10.599   13.773  5.5632   19.057  16.106   19.928  17.130  7.0337 20.070  7.4910 -2.940008      10.27560  
1 1 1 10  4   25 o 85.632  4.0795 366.109  34.480  0.0000   0.0000  366.109  34.480  ?       ?      85.632  4.0795 0.000000       4.079472  
1 1 1 10  5   0  f 43.871  1.1306 95.003   4.8957  91.417   7.3135  97.915   6.5900  43.031  1.7219 44.536  1.4991 -1.505222      2.283061  
1 1 1 10  5   1  o 17.982  0.8168 15.960   1.4497  15.006   1.7936  17.758   2.4621  17.404  1.0490 18.921  1.3268 -1.516151      1.691343  
1 1 1 10  5   2  o 255.492 3.1766 3224.81  80.107  3117.64  108.676 3352.31  118.542 251.094 4.3850 260.345 4.6131 -9.251511      6.364610  
1 1 1 10  5   3  o 71.851  1.8737 254.865  13.288  0.0000   0.0000  254.865  13.288  ?       ?      71.851  1.8737 0.000000       1.873674  
1 1 1 10  5   4  o 300.407 7.1514 4473.87  212.049 4533.74  299.885 4414.00  299.879 301.744 10.069 297.696 10.206 4.047546       14.33662  
1 1 1 10  5   5  o 285.236 5.0475 4024.04  142.106 4018.41  167.386 4038.60  268.920 284.914 5.9521 284.945 9.5616 -0.3085327E-01 11.26283  
1 1 1 10  5   6  o 118.558 1.8436 693.891  21.574  723.223  30.418  664.198  30.604  121.022 2.5464 115.975 2.6735 5.046883       3.692163  
1 1 1 10  5   7  o 82.701  1.4019 337.595  11.444  349.627  16.297  325.890  16.074  84.155  1.9620 81.247  2.0044 2.907585       2.804779  
1 1 1 10  5   8  o 141.370 2.1385 986.733  29.840  970.689  42.048  1003.01  42.354  140.186 3.0388 142.502 3.0112 -2.316025      4.278079  
1 1 1 10  5   9  o 240.297 3.3827 2852.95  80.232  2855.87  113.428 2850.03  113.502 240.283 4.7826 240.036 4.7906 0.2465820      6.769277  
1 1 1 10  5   10 o 162.647 2.2032 1306.25  35.370  1310.99  50.032  1301.51  50.009  162.899 3.1117 162.308 3.1216 0.5905914      4.407561  
1 1 1 10  5   11 f 76.206  1.3748 286.672  10.341  291.389  14.599  281.921  14.651  76.822  1.9253 75.563  1.9643 1.259125       2.750544  
1 1 1 10  5   12 o 171.788 2.4607 1457.66  41.724  1458.18  59.923  1457.18  58.131  171.741 3.5350 171.691 3.4302 0.4992676E-01  4.925706  
1 1 1 10  5   13 o 152.919 6.5159 1161.75  98.349  1159.92  139.057 1163.59  139.115 152.000 9.3136 152.244 9.3022 -0.2444153     13.16338  
1 1 1 10  5   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  5   15 o 207.742 7.1011 2150.08  145.608 2168.36  205.935 2131.82  205.906 207.648 10.048 205.858 10.134 1.790039       14.27062  
1 1 1 10  5   16 o 113.702 1.8569 638.466  20.840  633.690  29.469  643.243  29.474  113.237 2.6366 114.089 2.6174 -0.8514709     3.715164  
1 1 1 10  5   17 o 93.946  1.5400 435.787  14.280  431.181  19.736  440.848  20.688  93.427  2.1402 94.465  2.2187 -1.038055      3.082718  
1 1 1 10  5   18 o 126.289 1.9417 787.756  24.203  737.296  34.532  836.481  33.933  122.118 2.8649 130.090 2.6427 -7.972260      3.897612  
1 1 1 10  5   19 o 113.037 2.0335 631.209  22.688  666.696  38.599  612.477  28.044  116.072 3.3691 111.316 2.5524 4.756256       4.226787  
1 1 1 10  5   20 f 110.194 1.8122 599.786  19.710  589.044  27.929  610.444  27.821  109.153 2.5923 111.122 2.5365 -1.969307      3.626830  
1 1 1 10  5   21 o 119.617 1.9036 706.957  22.475  708.072  31.725  705.833  31.845  119.643 2.6864 119.453 2.7009 0.1907730      3.809441  
1 1 1 10  5   22 o 140.064 2.2170 970.109  30.649  980.269  42.524  959.126  44.214  140.669 3.0627 139.116 3.2199 1.552933       4.443898  
1 1 1 10  5   23 o 157.842 6.6809 1258.09  104.086 1195.73  147.158 1320.51  147.241 151.576 9.8902 159.725 9.3806 -8.148956      13.63132  
1 1 1 10  5   24 o 80.465  6.0786 328.617  47.921  313.860  67.615  343.511  67.928  77.365  9.0241 81.183  8.6084 -3.818199      12.47156  
1 1 1 10  5   25 o 34.310  1.8119 58.390   6.1143  90.795   17.001  53.576   6.5528  42.456  4.1083 32.839  2.0316 9.616493       4.583215  
1 1 1 10  6   0  o 83.611  1.2841 345.088  10.597  340.944  14.936  349.288  15.038  83.098  1.8210 84.109  1.8114 -1.010956      2.568524  
1 1 1 10  6   1  o 123.242 1.6976 749.852  20.650  738.358  30.940  759.084  27.729  122.266 2.5638 123.981 2.2660 -1.715164      3.421636  
1 1 1 10  6   2  o 171.886 2.3967 1459.02  40.661  1451.25  60.099  1465.57  55.217  171.362 3.5532 172.225 3.2482 -0.8634186     4.814172  
1 1 1 10  6   3  o 279.297 4.1142 3856.49  113.418 3925.81  160.309 3787.02  160.486 281.559 5.7684 276.519 5.8800 5.040192       8.237068  
1 1 1 10  6   4  o 131.578 3.2087 855.263  41.672  0.0000   0.0000  855.263  41.672  ?       ?      131.578 3.2087 0.000000       3.208708  
1 1 1 10  6   5  o 38.591  1.8714 73.522   7.1281  87.784   13.133  67.566   8.4871  42.035  3.1891 36.917  2.3413 5.117367       3.956227  
1 1 1 10  6   6  o 391.507 5.7530 7587.42  222.316 7751.56  314.385 7423.23  314.420 395.147 8.0607 386.637 8.2390 8.510193       11.52627  
1 1 1 10  6   7  o 116.292 2.0256 667.681  23.251  679.748  32.883  655.615  32.882  117.317 2.8397 115.214 2.8914 2.102921       4.052728  
1 1 1 10  6   8  o 223.894 3.5137 2476.89  77.650  2512.89  109.814 2440.88  109.813 225.386 4.9363 222.125 5.0087 3.260437       7.032312  
1 1 1 10  6   9  o 257.873 3.1757 3285.24  80.832  3219.45  114.255 3351.16  114.372 255.141 4.5369 260.318 4.4513 -5.176926      6.355907  
1 1 1 10  6   10 o 201.751 2.7316 2010.47  54.396  1981.90  76.892  2039.09  76.963  200.226 3.8907 203.099 3.8392 -2.873154      5.465978  
1 1 1 10  6   11 o 134.619 1.8753 894.761  24.918  875.836  35.182  913.810  35.297  133.158 2.6768 136.016 2.6292 -2.858215      3.752061  
1 1 1 10  6   12 o 59.646  1.4044 175.625  8.2682  190.886  11.800  160.906  11.589  62.176  1.9228 57.083  2.0569 5.093189       2.815614  
1 1 1 10  6   13 f 176.113 6.7272 1541.61  116.938 1512.78  165.350 1570.46  165.402 173.541 9.6918 176.886 9.5085 -3.344360      13.57729  
1 1 1 10  6   14 o 161.139 6.5859 1291.19  104.748 1245.45  148.107 1336.98  148.166 157.321 9.5837 163.128 9.2401 -5.807037      13.31260  
1 1 1 10  6   15 o 119.455 1.7406 704.637  20.523  719.438  28.361  688.366  29.736  120.673 2.3811 118.029 2.5524 2.644066       3.490626  
1 1 1 10  6   16 o 147.744 2.9694 1079.17  43.303  1075.03  45.741  1114.88  134.421 147.445 3.1430 148.780 9.1986 -1.334747      9.720778  
1 1 1 10  6   17 o 122.269 1.9845 738.404  23.950  757.040  34.954  721.911  32.883  123.747 2.8617 120.850 2.7567 2.897728       3.973507  
1 1 1 10  6   18 o 90.749  1.5625 406.647  13.996  441.454  20.529  376.418  19.132  94.528  2.2003 87.287  2.2206 7.241165       3.126066  
1 1 1 10  6   19 o 114.680 1.7446 649.517  19.747  633.556  28.676  663.913  27.234  113.215 2.5662 115.908 2.3805 -2.693253      3.500261  
1 1 1 10  6   20 o 210.076 2.8536 2182.66  59.170  2221.30  87.564  2150.19  80.268  211.666 4.1912 208.314 3.9038 3.352036       5.727667  
1 1 1 10  6   21 o 55.982  1.7370 154.813  9.5979  160.896  13.860  149.208  13.304  57.045  2.4616 54.934  2.4536 2.110691       3.475593  
1 1 1 10  6   22 o 53.981  2.0500 144.043  10.923  120.081  15.488  167.749  15.406  49.126  3.2119 58.221  2.6808 -9.094967      4.183673  
1 1 1 10  6   23 o 22.310  7.6497 23.366   20.308  13.832   35.270  28.094   24.838  23.744  9.6377 24.469  8.4560 -0.7246265     12.82144  
1 1 1 10  6   24 o 44.724  6.7793 103.575  28.989  104.120  40.745  103.017  41.253  43.921  9.6612 43.635  9.8159 0.2859077      13.77279  
1 1 1 10  6   25 f 97.963  2.0079 474.925  19.415  474.788  28.591  475.043  26.447  97.791  2.9621 97.860  2.7380 -0.6873322E-01 4.033709  
1 1 1 10  6   26 o 41.082  1.8774 83.524   7.6130  79.844   8.5075  98.316   17.056  40.092  2.1578 44.194  3.9516 -4.102333      4.502404  
1 1 1 10  7   0  o 287.487 4.5293 4091.45  128.524 4183.70  181.678 3999.03  181.844 290.281 6.3409 283.761 6.4925 6.520233       9.075211  
1 1 1 10  7   1  o 103.408 1.5692 527.907  16.016  509.698  23.433  543.872  21.942  101.588 2.3370 104.945 2.1183 -3.357468      3.154112  
1 1 1 10  7   2  o 131.999 1.7479 860.229  22.774  854.740  30.999  866.665  33.568  131.556 2.3873 132.463 2.5674 -0.9071503     3.505809  
1 1 1 10  7   3  o 102.029 1.5143 513.880  15.250  512.767  21.580  514.990  21.553  101.905 2.1455 102.126 2.1382 -0.2208939     3.029048  
1 1 1 10  7   4  o 165.161 2.2540 1346.96  36.745  1364.73  52.031  1329.28  51.900  166.202 3.1717 164.028 3.2057 2.174698       4.509556  
1 1 1 10  7   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  7   6  o 203.050 2.8653 2036.41  57.426  2081.90  77.524  1981.11  85.483  205.239 3.8269 200.168 4.3266 5.070465       5.776229  
1 1 1 10  7   7  o 301.469 4.4670 4494.26  132.921 4522.19  187.872 4466.26  188.085 302.106 6.3004 300.223 6.3471 1.882874       8.943245  
1 1 1 10  7   8  o 193.164 2.8746 1843.00  54.808  1884.31  77.709  1802.12  77.312  195.236 4.0325 190.925 4.1025 4.311111       5.752573  
1 1 1 10  7   9  o 134.743 1.7544 896.320  23.333  854.282  32.896  938.884  33.101  131.521 2.5340 137.884 2.4322 -6.362549      3.512386  
1 1 1 10  7   10 o 11.278  1.1461 6.3433   1.2581  5.2365   1.8127  7.3721   1.7476  10.137  1.8810 12.129  1.4912 -1.992552      2.400393  
1 1 1 10  7   11 o 77.638  1.3275 297.541  10.172  299.080  14.195  295.916  14.585  77.830  1.8478 77.416  1.9087 0.4139252      2.656597  
1 1 1 10  7   12 o 37.969  1.0892 71.159   4.0819  56.807   5.8216  85.038   5.7249  33.875  1.7471 41.504  1.3975 -7.629810      2.237239  
1 1 1 10  7   13 o 78.407  5.9871 306.888  45.984  294.427  64.912  319.441  65.151  76.284  8.7812 79.572  8.4233 -3.287704      12.16811  
1 1 1 10  7   14 o 47.922  6.0770 115.867  28.099  113.796  39.875  117.910  39.602  46.936  8.9334 47.842  8.7072 -0.9055367     12.47488  
1 1 1 10  7   15 f 156.780 2.6980 1214.77  41.751  1299.13  69.658  1167.47  52.157  161.950 4.3577 153.631 3.4396 8.319809       5.551572  
1 1 1 10  7   16 o 82.406  1.5216 335.294  12.377  348.661  18.001  323.308  17.045  84.012  2.1707 80.901  2.1346 3.110878       3.044436  
1 1 1 10  7   17 o 55.957  1.6683 154.620  9.2143  162.406  10.848  134.447  17.460  57.343  1.9166 52.018  3.4197 5.324852       3.920141  
1 1 1 10  7   18 o 118.483 1.9044 693.379  22.271  668.027  31.549  718.561  31.443  116.246 2.7497 120.571 2.6421 -4.324493      3.813301  
1 1 1 10  7   19 o 164.976 2.3887 1345.04  38.896  1406.18  55.560  1286.27  54.471  168.574 3.3392 161.216 3.4232 7.357971       4.782051  
1 1 1 10  7   20 o 106.066 1.8025 555.683  18.870  548.606  27.294  562.162  26.117  105.338 2.6252 106.642 2.4812 -1.303772      3.612182  
1 1 1 10  7   21 o 201.232 2.6323 2002.67  52.284  1994.40  74.156  2010.85  73.726  200.600 3.7452 201.435 3.7081 -0.8342133     5.270400  
1 1 1 10  7   22 f 81.866  1.8586 331.189  15.019  344.285  18.546  306.239  25.598  83.444  2.2518 78.613  3.2990 4.830833       3.994227  
1 1 1 10  7   23 o 43.772  12.874 104.506  59.330  104.506  59.330  0.0000   0.0000  43.772  12.874 ?       ?      0.000000       12.87399  
1 1 1 10  7   24 o 59.591  1.6157 175.532  9.5032  194.775  11.597  136.197  16.581  62.756  1.8722 52.270  3.2296 10.48557       3.733009  
1 1 1 10  7   25 f 26.817  1.7062 35.707   4.4927  34.867   4.6751  45.848   16.243  26.490  1.7987 29.664  5.7552 -3.174726      6.029691  
1 1 1 10  7   26 o 22.256  6.5819 25.709   15.470  0.0000   0.0000  25.709   15.470  ?       ?      22.256  6.5819 0.000000       6.581880  
1 1 1 10  8   0  o 139.442 6.3668 965.982  87.630  978.446  123.939 953.524  123.915 139.590 9.0441 137.762 9.1653 1.828598       12.87625  
1 1 1 10  8   1  f 130.611 1.7129 842.283  22.082  868.541  31.395  816.576  31.065  132.603 2.3987 128.572 2.4479 4.030304       3.427233  
1 1 1 10  8   2  o 206.129 2.8114 2099.25  57.200  2149.54  80.902  2049.00  80.883  208.472 3.9317 203.527 4.0262 4.944641       5.627507  
1 1 1 10  8   3  o 103.826 1.4171 532.149  14.522  505.747  20.495  558.768  20.579  101.204 2.0518 106.379 1.9599 -5.175308      2.837443  
1 1 1 10  8   4  o 240.831 3.2285 2866.00  76.743  2866.56  108.551 2865.44  108.512 240.702 4.5690 240.655 4.5682 0.4719543E-01  6.460996  
1 1 1 10  8   5  o 284.653 4.4192 4007.84  124.162 3897.03  187.922 4093.69  165.409 280.262 6.7933 287.447 5.8300 -7.184692      8.951967  
1 1 1 10  8   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  8   7  o 84.781  1.4735 354.817  12.330  354.478  17.513  355.150  17.363  84.730  2.0941 84.811  2.0741 -0.8067322E-01 2.947410  
1 1 1 10  8   8  o 266.013 3.5664 3497.33  93.642  3526.05  132.476 3468.65  132.383 266.914 5.0284 264.727 5.0664 2.187042       7.138187  
1 1 1 10  8   9  o 109.950 2.0725 596.922  22.492  625.189  31.810  568.657  31.808  112.498 2.8647 107.286 3.0037 5.211891       4.150758  
1 1 1 10  8   10 o 136.905 2.0332 925.483  27.474  941.031  38.898  910.005  38.811  138.015 2.8554 135.719 2.8973 2.296310       4.067820  
1 1 1 10  8   11 o 186.602 3.1610 1720.81  58.219  1751.89  82.336  1689.72  82.334  188.156 4.4334 184.778 4.5143 3.377808       6.327274  
1 1 1 10  8   12 o 174.605 6.6741 1514.70  115.022 1410.03  162.539 1619.70  162.792 167.522 9.8736 179.788 9.2044 -12.26622      13.49849  
1 1 1 10  8   13 o 101.194 6.1184 510.343  60.825  500.845  85.924  519.883  86.114  99.722  8.8205 101.648 8.6658 -1.926254      12.36522  
1 1 1 10  8   14 o 118.745 2.6292 696.757  30.816  721.877  46.837  677.583  40.920  120.772 3.9290 117.039 3.5422 3.733154       5.290030  
1 1 1 10  8   15 o 84.800  1.6202 355.076  13.561  390.021  19.933  324.961  18.504  88.853  2.2728 81.103  2.3115 7.750114       3.241742  
1 1 1 10  8   16 f 102.340 1.7777 517.227  17.957  483.459  25.200  552.061  25.594  98.907  2.5813 105.699 2.4532 -6.791718      3.561095  
1 1 1 10  8   17 o 68.173  1.6474 229.504  11.085  203.708  23.041  237.273  12.645  64.050  3.6599 69.312  1.8483 -5.262589      4.100104  
1 1 1 10  8   18 o 63.961  1.7761 202.044  11.213  182.985  16.515  218.346  15.273  60.839  2.7502 66.474  2.3278 -5.635159      3.603025  
1 1 1 10  8   19 o 201.657 2.7740 2010.69  55.214  2018.64  78.470  2002.88  77.705  201.865 3.9383 201.079 3.9152 0.7851715      5.553257  
1 1 1 10  8   20 o 93.876  1.7554 435.283  16.266  410.140  24.082  456.375  22.057  91.075  2.6789 96.094  2.3255 -5.018974      3.547502  
1 1 1 10  8   21 o 199.296 2.6472 1964.38  52.073  1905.80  73.732  2022.68  73.553  196.079 3.8097 202.030 3.6885 -5.950989      5.302747  
1 1 1 10  8   22 o 64.305  6.1510 208.736  38.565  220.503  54.206  196.676  54.878  65.440  8.6004 61.520  9.3303 3.920395       12.68940  
1 1 1 10  8   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  8   24 o 138.416 2.2431 948.381  30.646  957.503  42.802  938.787  43.897  138.885 3.1223 137.491 3.2347 1.393311       4.495772  
1 1 1 10  8   25 o 38.077  1.6087 71.685   6.0459  70.060   6.5613  80.823   15.563  37.636  1.7662 40.053  3.9897 -2.416843      4.363149  
1 1 1 10  8   26 o 45.770  1.7324 103.627  7.8265  104.556  8.8386  100.250  16.844  45.961  1.9483 44.652  3.8596 1.308144       4.323518  
1 1 1 10  9   0  o 128.113 6.2829 815.642  79.449  810.833  112.368 820.450  112.348 126.965 9.0254 127.734 8.9678 -0.7696762     12.72317  
1 1 1 10  9   1  o 117.524 1.6994 681.973  19.713  657.702  28.948  702.962  26.920  115.379 2.5419 119.295 2.2862 -3.916229      3.418792  
1 1 1 10  9   2  o 178.076 2.4235 1566.45  42.597  1620.30  60.366  1513.05  60.116  181.031 3.3784 174.928 3.4818 6.103424       4.851377  
1 1 1 10  9   3  o 202.977 2.6093 2035.32  52.276  2051.03  71.007  2016.74  77.245  203.673 3.5321 201.925 3.8757 1.748016       5.243718  
1 1 1 10  9   4  o 211.354 2.7421 2206.88  57.205  2257.26  77.686  2147.21  84.548  213.663 3.6837 208.342 4.1114 5.321671       5.520250  
1 1 1 10  9   5  o 367.143 5.1342 6675.50  186.054 6591.02  277.755 6744.27  250.579 364.013 7.7306 368.518 6.8889 -4.504852      10.35467  
1 1 1 10  9   6  o 61.706  1.2883 187.952  7.8464  187.566  10.659  188.410  11.593  61.637  1.7520 61.773  1.9014 -0.1364517     2.585474  
1 1 1 10  9   7  o 105.012 2.3912 544.618  24.785  544.618  24.785  0.0000   0.0000  105.012 2.3912 ?       ?      0.000000       2.391209  
1 1 1 10  9   8  o 162.363 2.4540 1302.00  39.327  1294.25  55.470  1309.83  55.765  161.818 3.4730 162.789 3.4706 -0.9712067     4.909838  
1 1 1 10  9   9  o 360.449 4.4610 6428.62  158.711 6315.15  233.898 6525.44  216.063 356.691 6.6436 362.763 6.0343 -6.072418      8.974932  
1 1 1 10  9   10 o 244.785 3.1972 2961.33  77.248  2978.06  109.158 2944.54  109.333 245.305 4.5083 243.916 4.5413 1.389420       6.399083  
1 1 1 10  9   11 o 179.993 2.6678 1600.56  47.397  1556.14  67.054  1644.92  67.005  177.379 3.8299 182.380 3.7222 -5.000961      5.340675  
1 1 1 10  9   12 o 117.659 6.2167 689.335  71.940  686.793  101.676 691.884  101.801 116.904 8.8779 117.345 8.8545 -0.4407043     12.53875  
1 1 1 10  9   13 o 243.620 7.5238 2958.16  180.919 2940.94  255.806 2975.39  255.910 241.688 10.723 243.126 10.664 -1.437698      15.12308  
1 1 1 10  9   14 o 114.147 1.7697 643.416  19.939  597.601  28.122  689.724  28.274  109.971 2.5908 118.152 2.4244 -8.181923      3.548259  
1 1 1 10  9   15 o 146.888 2.0415 1065.72  29.598  1069.29  42.758  1062.44  41.013  147.066 2.9456 146.604 2.8343 0.4623260      4.087723  
1 1 1 10  9   16 o 111.956 1.7658 618.992  19.513  604.295  28.239  632.422  26.995  110.576 2.5874 113.131 2.4175 -2.554382      3.541012  
1 1 1 10  9   17 o 25.448  1.3496 32.064   3.3777  32.683   3.5716  26.824   10.393  25.689  1.4140 22.835  4.7653 2.854650       4.970700  
1 1 1 10  9   18 o 116.204 2.5248 667.411  28.959  764.946  104.733 659.337  30.134  123.125 8.6734 115.490 2.6435 7.634346       9.067329  
1 1 1 10  9   19 o 121.742 2.0004 732.181  24.037  729.835  33.465  734.681  34.548  121.489 2.7907 121.885 2.8717 -0.3956451     4.004371  
1 1 1 10  9   20 o 206.862 2.9414 2116.85  60.057  2161.15  85.002  2072.70  84.864  208.777 4.1249 204.442 4.2055 4.335617       5.890795  
1 1 1 10  9   21 o 54.409  2.0897 146.295  11.223  174.750  22.470  136.839  12.954  59.245  3.8637 52.606  2.4948 6.638565       4.599174  
1 1 1 10  9   22 o 151.575 6.5606 1151.98  98.154  1129.27  138.736 1174.74  138.885 148.519 9.5140 151.596 9.3271 -3.077057      13.32338  
1 1 1 10  9   23 o 94.157  2.0582 438.402  19.129  426.932  27.591  449.016  26.543  92.812  3.0118 95.207  2.8245 -2.394516      4.129071  
1 1 1 10  9   24 o 68.792  2.1760 234.213  14.775  224.680  21.500  242.743  20.338  67.262  3.2384 69.951  2.9457 -2.689140      4.377690  
1 1 1 10  9   25 o 95.079  1.8040 447.180  16.930  435.202  23.899  459.246  23.986  93.682  2.5846 96.246  2.5249 -2.563469      3.613157  
1 1 1 10  9   26 o 41.612  3.0895 86.560   12.599  93.610   18.891  80.913   16.908  42.982  4.5205 39.968  4.3565 3.014679       6.278073  
1 1 1 10  9   27 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  10  0  o 71.216  6.0204 253.742  41.923  245.426  59.304  262.049  59.271  69.482  8.8481 71.904  8.5168 -2.422615      12.28102  
1 1 1 10  10  1  o 68.193  1.2446 229.565  8.3772  222.944  11.876  236.122  11.818  67.192  1.7907 69.151  1.7315 -1.958656      2.490915  
1 1 1 10  10  2  o 86.899  1.3782 372.800  11.821  387.812  17.121  359.124  16.342  88.616  1.9575 85.276  1.9415 3.340164       2.756983  
1 1 1 10  10  3  o 31.282  1.3248 48.307   4.0906  55.692   8.5017  46.082   4.6662  33.474  2.5934 30.511  1.5546 2.962080       3.023677  
1 1 1 10  10  4  o 89.869  1.3648 398.702  12.106  406.932  17.288  390.783  16.959  90.778  1.9294 88.959  1.9315 1.819565       2.730053  
1 1 1 10  10  5  o 145.750 1.9824 1049.00  28.518  1045.49  44.448  1051.46  37.180  145.443 3.0962 145.890 2.5820 -0.4474640     4.031509  
1 1 1 10  10  6  o 255.927 3.4175 3238.00  86.329  3282.97  119.178 3188.36  125.221 257.504 4.6890 253.710 5.0004 3.793381       6.854977  
1 1 1 10  10  7  o 92.463  1.4692 422.060  13.408  410.631  19.787  431.763  18.233  91.185  2.1985 93.508  1.9755 -2.323135      2.955662  
1 1 1 10  10  8  o 31.296  1.7449 48.510   5.3686  48.099   5.4188  70.375   39.528  31.162  1.7691 36.967  10.397 -5.805288      10.54687  
1 1 1 10  10  9  o 151.665 2.1173 1135.95  31.695  1129.26  44.620  1142.76  45.030  151.168 2.9905 152.068 3.0000 -0.9006500     4.235931  
1 1 1 10  10  10 f 52.491  1.8982 136.052  9.8347  154.931  18.049  128.080  11.729  55.887  3.2865 50.922  2.3335 4.964657       4.030665  
1 1 1 10  10  11 o 110.365 2.4702 601.726  26.909  606.324  39.101  597.589  37.088  110.726 3.5777 109.936 3.4179 0.7904816      4.947937  
1 1 1 10  10  12 o 265.747 7.8172 3522.28  205.048 3438.04  289.908 3606.61  290.054 261.087 11.250 267.545 10.984 -6.458466      15.72253  
1 1 1 10  10  13 o 104.294 2.2640 537.329  23.306  540.466  33.133  534.257  32.788  104.548 3.2108 103.946 3.1958 0.6013947      4.530132  
1 1 1 10  10  14 o 128.112 1.8732 810.562  23.687  784.703  33.682  835.864  33.318  126.003 2.7082 130.054 2.5955 -4.050537      3.751102  
1 1 1 10  10  15 o 185.669 2.9199 1704.38  53.511  1709.82  75.686  1698.95  75.665  185.797 4.1271 185.203 4.1392 0.5939331      5.845106  
1 1 1 10  10  16 o 203.560 2.7106 2048.32  54.461  2058.97  77.220  2037.78  76.821  203.922 3.8365 202.870 3.8364 1.051910       5.425550  
1 1 1 10  10  17 f 41.476  1.1571 84.924   4.7370  97.987   6.7546  72.280   6.6451  44.547  1.5362 38.256  1.7598 6.290485       2.335994  
1 1 1 10  10  18 o 137.512 2.1520 934.276  29.210  905.366  41.242  963.374  41.376  135.287 3.0885 139.562 3.0036 -4.275482      4.308186  
1 1 1 10  10  19 o 100.926 6.1936 509.549  61.401  488.629  86.606  530.690  87.065  98.079  9.0483 102.351 8.7007 -4.272346      12.55283  
1 1 1 10  10  20 f 52.590  1.3928 136.566  7.2299  124.569  10.209  148.636  10.240  50.210  2.0600 54.852  1.8914 -4.641533      2.796597  
1 1 1 10  10  21 o 69.551  7.1736 245.071  48.539  228.145  59.313  279.392  84.459  66.497  9.2905 72.688  12.205 -6.190781      15.33842  
1 1 1 10  10  22 o 28.050  5.8199 40.747   15.585  44.874   27.700  38.836   18.852  29.516  8.8253 27.286  6.9735 2.230671       11.24796  
1 1 1 10  10  23 o 55.242  1.6266 150.797  8.8693  158.526  10.208  126.982  17.918  56.631  1.8261 50.439  3.6232 6.191730       4.057395  
1 1 1 10  10  24 o 147.376 2.2299 1075.14  32.437  1047.64  46.670  1100.85  45.115  145.232 3.2557 148.927 3.0691 -3.695541      4.474254  
1 1 1 10  10  25 o 61.775  1.3025 188.568  7.9420  172.367  13.018  198.174  10.024  58.990  2.2357 63.309  1.6041 -4.318066      2.751630  
1 1 1 10  10  26 o 26.117  4.3671 35.060   10.860  36.690   16.088  33.696   14.720  26.342  6.2769 25.277  5.9913 1.064789       8.677238  
1 1 1 10  10  27 o 57.325  1.6211 162.575  9.1723  182.356  13.214  144.181  12.742  60.649  2.2074 53.907  2.3948 6.742153       3.256920  
1 1 1 10  11  0  o 178.651 6.7774 1589.32  119.509 1603.87  169.020 1574.77  169.003 178.410 9.6338 176.745 9.7250 1.665451       13.68888  
1 1 1 10  11  1  o 100.729 1.4184 500.930  14.102  506.330  19.690  495.243  20.208  101.252 1.9702 100.134 2.0446 1.117569       2.839328  
1 1 1 10  11  2  o 50.657  1.2481 126.682  6.2406  126.491  9.2780  126.840  8.4333  50.610  1.8573 50.683  1.6858 -0.7271194E-01 2.508285  
1 1 1 10  11  3  o 147.076 1.8965 1068.25  27.531  1034.56  38.824  1102.33  39.047  144.687 2.7185 149.356 2.6487 -4.669479      3.795538  
1 1 1 10  11  4  o 192.230 2.6066 1825.89  49.457  1789.85  69.884  1862.04  70.002  190.204 3.7224 194.010 3.6555 -3.805939      5.217217  
1 1 1 10  11  5  o 217.121 2.9020 2329.90  62.192  2260.90  88.123  2398.38  87.785  213.715 4.1775 220.139 4.0401 -6.423599      5.811521  
1 1 1 10  11  6  f 81.491  1.3483 327.831  10.845  337.871  15.351  317.827  15.323  82.717  1.8802 80.225  1.9352 2.492470       2.698111  
1 1 1 10  11  7  o 94.876  1.7010 444.448  15.929  453.000  27.837  440.284  19.424  95.739  2.9458 94.419  2.0842 1.319611       3.608555  
1 1 1 10  11  8  o 94.787  1.4763 443.564  13.812  431.374  19.709  455.327  19.361  93.457  2.1366 96.020  2.0429 -2.562775      2.956072  
1 1 1 10  11  9  f 132.564 1.8256 867.752  23.887  848.199  33.831  887.189  33.732  131.024 2.6160 134.005 2.5503 -2.981384      3.653401  
1 1 1 10  11  10 o 251.033 3.3876 3116.15  83.937  3111.14  118.905 3121.13  118.507 250.581 4.8075 250.988 4.7836 -0.4072266     6.781973  
1 1 1 10  11  11 o 39.631  6.1204 79.828   23.170  75.595   32.789  84.050   32.747  38.121  8.8794 40.268  8.5057 -2.147472      12.29596  
1 1 1 10  11  12 o 198.830 6.9839 1969.08  137.061 1948.48  193.790 1989.70  193.875 196.596 10.020 198.960 9.8724 -2.364395      14.06643  
1 1 1 10  11  13 o 137.762 2.1065 937.453  28.644  939.346  40.713  935.597  40.307  137.839 2.9925 137.565 2.9685 0.2733612      4.215097  
1 1 1 10  11  14 o 176.420 2.4284 1537.96  42.287  1464.74  62.257  1600.68  57.618  172.032 3.6664 179.893 3.2450 -7.861191      4.896207  
1 1 1 10  11  15 o 131.506 2.1350 854.354  27.712  876.270  39.844  833.817  38.569  133.114 3.0325 129.851 3.0093 3.262451       4.272219  
1 1 1 10  11  16 o 118.508 1.9042 693.689  22.274  661.709  31.470  725.792  31.531  115.691 2.7559 121.173 2.6363 -5.481651      3.813824  
1 1 1 10  11  17 o 118.329 2.0100 691.696  23.476  677.690  33.266  705.592  33.134  117.065 2.8790 119.456 2.8102 -2.391281      4.023132  
1 1 1 10  11  18 o 118.026 2.2922 688.402  26.703  660.356  45.931  702.720  32.819  115.436 4.0312 119.209 2.7892 -3.773170      4.902053  
1 1 1 10  11  19 o 97.225  1.8272 466.934  17.535  446.852  24.763  487.130  24.833  95.065  2.6390 99.264  2.5346 -4.199379      3.659024  
1 1 1 10  11  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  11  21 o 149.217 6.5693 1114.59  96.755  1134.81  136.642 1094.26  137.023 149.235 9.3231 146.431 9.5323 2.804535       13.33361  
1 1 1 10  11  22 o 87.732  1.8587 380.377  16.096  388.616  25.603  374.993  20.697  88.588  2.9280 87.069  2.4083 1.519081       3.791218  
1 1 1 10  11  23 o 98.370  2.0630 478.561  20.031  470.322  29.530  485.583  27.262  97.395  3.0718 99.003  2.7898 -1.607750      4.149573  
1 1 1 10  11  24 o 75.090  2.3684 279.249  17.554  283.492  26.906  276.104  23.163  75.485  3.6113 74.567  3.1471 0.9176407      4.790191  
1 1 1 10  11  25 o 100.763 2.2634 503.021  22.511  484.075  27.677  540.047  38.692  98.738  2.8399 104.050 3.7674 -5.312714      4.717917  
1 1 1 10  11  26 o 73.277  2.3161 266.184  16.752  267.169  25.598  265.446  22.154  73.193  3.5433 73.051  3.0726 0.1421967      4.689947  
1 1 1 10  11  27 o 81.187  1.7656 326.268  14.149  333.275  20.432  319.814  19.611  81.927  2.5267 80.265  2.4754 1.661842       3.537221  
1 1 1 10  12  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  12  1  o 143.495 1.8980 1016.94  26.882  1050.61  38.148  983.733  37.886  145.800 2.6508 141.078 2.7207 4.722549       3.798583  
1 1 1 10  12  2  o 131.422 2.0022 853.075  25.972  798.663  43.510  883.196  32.373  127.059 3.4694 133.695 2.4532 -6.635780      4.249064  
1 1 1 10  12  3  o 127.520 1.7159 803.000  21.598  796.923  30.651  808.992  30.438  126.999 2.4452 127.959 2.4100 -0.9602661     3.433203  
1 1 1 10  12  4  o 139.882 1.8686 966.322  25.799  962.737  36.590  969.866  36.382  139.573 2.6560 140.091 2.6311 -0.5176086     3.738613  
1 1 1 10  12  5  o 57.952  1.5523 165.821  8.8791  143.334  12.593  188.052  12.521  53.863  2.3687 61.704  2.0559 -7.840839      3.136465  
1 1 1 10  12  6  o 147.128 2.0939 1069.18  30.408  1086.66  43.289  1052.16  42.723  148.264 2.9581 145.891 2.9669 2.373230       4.189595  
1 1 1 10  12  7  o 61.668  1.4936 187.758  9.0910  191.643  13.252  184.305  12.495  62.288  2.1555 61.086  2.0723 1.202209       2.990057  
1 1 1 10  12  8  o 141.248 2.0182 985.371  28.137  1029.01  38.655  936.199  41.035  144.298 2.7140 137.614 3.0210 6.683380       4.061082  
1 1 1 10  12  9  o 107.498 2.5322 570.992  26.868  0.0000   0.0000  570.992  26.868  ?       ?      107.498 2.5322 0.000000       2.532174  
1 1 1 10  12  10 o 182.488 13.994 1714.22  250.152 1714.22  250.152 0.0000   0.0000  182.488 13.994 ?       ?      0.000000       13.99445  
1 1 1 10  12  11 o 88.791  7.0179 395.263  61.003  378.792  105.676 403.494  74.707  85.331  12.954 89.377  8.5736 -4.046478      15.53430  
1 1 1 10  12  12 o 156.318 2.1725 1207.10  33.520  1150.72  47.342  1263.78  47.466  152.542 3.1443 159.874 3.0079 -7.332458      4.351384  
1 1 1 10  12  13 o 53.358  1.9638 140.625  10.343  134.693  14.647  146.523  14.606  52.118  2.8583 54.445  2.7180 -2.326500      3.944241  
1 1 1 10  12  14 o 44.432  2.1463 97.530   9.4129  83.909   13.130  111.933  13.501  41.055  3.2672 47.491  2.8940 -6.436367      4.364665  
1 1 1 10  12  15 o 30.025  1.3547 44.511   4.0147  34.790   10.335  46.238   4.3569  26.183  4.1364 30.602  1.4425 -4.418985      4.380728  
1 1 1 10  12  16 o 120.130 1.9753 712.883  23.422  708.978  33.172  716.764  33.076  119.742 2.8067 120.400 2.7832 -0.6576233     3.952679  
1 1 1 10  12  17 o 53.432  1.6486 140.996  8.6944  141.777  12.301  140.217  12.290  53.561  2.3268 53.265  2.3377 0.2957954      3.298320  
1 1 1 10  12  18 o 65.884  1.6962 214.385  11.030  215.577  17.696  213.627  14.105  66.027  2.7153 65.751  2.1734 0.2759018      3.478065  
1 1 1 10  12  19 o 56.826  1.5657 159.478  8.7820  152.991  11.660  167.981  13.350  55.642  2.1231 58.297  2.3201 -2.654907      3.144873  
1 1 1 10  12  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  12  21 o 220.162 3.7973 2404.24  82.518  2402.31  104.519 2407.44  134.451 219.736 4.8190 219.387 6.2090 0.3493347      7.859668  
1 1 1 10  12  22 o 17.732  5.4964 15.652   10.616  13.836   14.170  17.976   16.027  17.878  6.3704 19.757  6.7945 -1.878777      9.313784  
1 1 1 10  12  23 o 117.809 2.1946 686.661  25.519  680.911  36.812  691.981  35.408  117.154 3.1834 118.130 3.0367 -0.9762421     4.399544  
1 1 1 10  12  24 f 41.624  1.3015 85.601   5.3473  90.858   7.6677  80.623   7.4609  42.861  1.8125 40.372  1.8723 2.489010       2.605867  
1 1 1 10  12  25 o 53.824  1.7879 143.336  9.4986  125.061  21.281  147.883  10.615  49.782  4.3754 54.657  1.9676 -4.875225      4.797450  
1 1 1 10  12  26 o 41.066  3.2575 84.512   13.095  92.315   20.225  78.878   17.184  42.541  4.9066 39.389  4.5007 3.151741       6.658111  
1 1 1 10  12  27 o 143.740 6.8976 1067.83  97.861  1119.81  138.149 1015.47  138.646 143.699 9.7985 136.047 10.404 7.652115       14.29152  
1 1 1 10  13  0  o 192.369 6.9519 1846.12  131.998 1791.92  186.579 1900.44  186.769 188.161 10.083 193.927 9.7890 -5.765564      14.05303  
1 1 1 10  13  1  o 118.590 1.7633 694.537  20.640  700.717  29.273  688.427  29.107  119.076 2.4906 118.027 2.4985 1.049377       3.527849  
1 1 1 10  13  2  f 100.693 1.4470 500.611  14.381  499.787  20.603  501.395  20.084  100.587 2.0752 100.751 2.0196 -0.1641541     2.895697  
1 1 1 10  13  3  o 118.936 1.7763 698.589  20.853  672.203  29.608  724.560  29.375  116.626 2.5721 121.090 2.4577 -4.464111      3.557523  
1 1 1 10  13  4  o 100.743 1.4515 501.096  14.433  509.858  20.716  492.833  20.119  101.596 2.0659 99.887  2.0407 1.709496       2.903792  
1 1 1 10  13  5  o 66.182  1.4558 216.262  9.5101  212.669  13.965  219.369  12.987  65.613  2.1563 66.644  1.9743 -1.030769      2.923633  
1 1 1 10  13  6  o 30.778  2.4307 47.098   7.3240  55.624   11.060  40.438   9.7741  33.360  3.4067 28.365  3.5701 4.994112       4.934736  
1 1 1 10  13  7  o 109.401 1.5178 590.954  16.390  612.157  23.434  570.654  22.930  111.320 2.1328 107.479 2.1615 3.841248       3.036577  
1 1 1 10  13  8  o 125.879 1.9697 782.642  24.473  796.308  30.587  758.332  40.795  126.946 2.4411 123.815 3.3381 3.130806       4.135478  
1 1 1 10  13  9  o 193.440 2.7526 1849.64  52.557  1942.69  71.069  1737.33  78.078  198.129 3.6341 187.274 4.2239 10.85533       5.572114  
1 1 1 10  13  10 o 171.661 6.6873 1468.17  113.306 1413.64  160.242 1522.69  160.237 167.290 9.7467 173.790 9.3759 -6.499939      13.52429  
1 1 1 10  13  11 o 109.589 6.1715 599.490  66.485  617.211  94.106  581.830  93.941  110.597 8.6906 107.289 8.9526 3.307968       12.47706  
1 1 1 10  13  12 o 99.377  1.6483 487.688  16.168  454.945  22.691  521.457  23.044  95.951  2.3959 102.732 2.2726 -6.781380      3.302261  
1 1 1 10  13  13 o 161.976 2.2527 1296.33  36.015  1283.66  50.932  1309.00  50.935  161.085 3.2033 162.671 3.1723 -1.585922      4.508273  
1 1 1 10  13  14 o 123.049 2.1265 748.049  25.827  733.805  36.525  762.292  36.524  121.803 3.0381 124.150 2.9806 -2.346924      4.256019  
1 1 1 10  13  15 o 29.117  1.0766 41.852   3.0941  47.615   4.4075  36.252   4.3446  31.053  1.4380 27.044  1.6353 4.008858       2.177579  
1 1 1 10  13  16 o 68.275  1.4409 230.175  9.7099  241.274  13.738  219.094  13.726  69.884  1.9916 66.591  2.0883 3.292938       2.885733  
1 1 1 10  13  17 o 140.702 2.2084 978.309  30.670  996.924  43.743  960.310  43.014  141.942 3.1223 139.310 3.1282 2.631668       4.419761  
1 1 1 10  13  18 o 76.507  1.6398 289.096  12.383  278.253  17.755  299.364  17.278  75.026  2.3976 77.828  2.2492 -2.801689      3.287459  
1 1 1 10  13  19 o 173.108 6.7911 1499.60  116.035 1463.88  163.963 1535.44  164.234 169.490 9.8433 173.721 9.6155 -4.230133      13.76041  
1 1 1 10  13  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  13  21 o 84.820  2.2973 355.758  19.233  348.062  33.288  359.615  23.564  83.726  4.0280 85.237  2.8009 -1.511551      4.906104  
1 1 1 10  13  22 o 101.297 2.1525 507.451  21.522  521.228  31.249  495.020  29.683  102.551 3.0872 99.950  3.0088 2.600838       4.310891  
1 1 1 10  13  23 o 37.029  1.1596 67.717   4.2382  71.581   6.0514  63.997   5.9378  38.057  1.6110 35.983  1.6718 2.074661       2.321693  
1 1 1 10  13  24 o 21.037  1.3616 21.959   2.8121  33.328   4.1964  12.693   3.7885  25.910  1.6495 15.811  2.5116 10.09955       3.004838  
1 1 1 10  13  25 o 67.050  2.3459 222.890  15.525  209.896  23.634  232.755  20.592  64.742  3.7139 68.411  3.0496 -3.668633      4.805524  
1 1 1 10  13  26 o 60.045  2.0463 178.620  12.128  184.549  13.750  157.855  25.732  61.005  2.2836 55.801  4.7162 5.203983       5.239970  
1 1 1 10  13  27 o 51.388  6.8960 138.801  34.095  139.898  46.983  137.581  49.556  50.108  9.8507 49.314  10.503 0.7931900      14.39950  
1 1 1 10  14  0  o 159.829 6.6383 1274.61  104.723 1267.93  148.085 1281.30  148.118 158.232 9.5260 159.087 9.4757 -0.8552704     13.43630  
1 1 1 10  14  1  o 129.805 1.7699 832.161  22.677  841.916  32.176  822.534  31.965  130.515 2.4977 129.003 2.5104 1.511993       3.541259  
1 1 1 10  14  2  o 216.166 2.9321 2310.69  62.559  2259.23  88.634  2361.77  88.311  213.521 4.2056 218.336 4.0979 -4.814301      5.871926  
1 1 1 10  14  3  o 230.229 2.8815 2620.85  65.481  2633.09  92.786  2608.70  92.425  230.548 4.0774 229.477 4.0805 1.071075       5.768543  
1 1 1 10  14  4  f 92.476  1.5505 422.274  14.152  435.237  20.294  410.002  19.746  93.859  2.1906 91.097  2.1960 2.761803       3.101763  
1 1 1 10  14  5  o 165.755 2.1147 1357.30  34.598  1410.95  49.220  1304.90  48.645  168.919 2.9521 162.438 3.0340 6.481003       4.233173  
1 1 1 10  14  6  o 108.436 1.6205 580.644  17.344  549.839  24.507  611.556  24.550  105.486 2.3537 111.256 2.2356 -5.769531      3.246184  
1 1 1 10  14  7  o 128.728 1.7407 818.365  22.117  792.805  31.295  843.871  31.261  126.656 2.5034 130.677 2.4237 -4.021179      3.484398  
1 1 1 10  14  8  o 145.293 1.9717 1042.73  28.275  1082.07  38.983  999.062  41.074  147.954 2.6694 142.142 2.9276 5.811417       3.961879  
1 1 1 10  14  9  o 112.175 6.1871 628.294  68.239  606.048  96.494  650.550  96.515  109.453 9.0119 113.523 8.6792 -4.070061      12.51170  
1 1 1 10  14  10 o 22.140  6.1402 25.128   13.887  23.494   20.047  26.635   19.256  22.463  7.6009 23.308  7.4277 -0.8455410     10.62754  
1 1 1 10  14  11 o 130.872 3.3884 847.573  43.771  857.158  116.637 846.002  47.222  130.210 9.1331 130.722 3.6598 -0.5115967     9.839064  
1 1 1 10  14  12 o 98.042  1.6062 474.674  15.543  432.570  21.977  516.811  21.985  93.558  2.3799 102.274 2.1779 -8.716316      3.225999  
1 1 1 10  14  13 o 165.344 2.4812 1351.29  40.493  1343.89  57.261  1358.69  57.270  164.764 3.5210 165.671 3.5023 -0.9071198     4.966215  
1 1 1 10  14  14 o 63.880  1.8081 201.555  11.400  208.801  16.459  194.872  15.806  64.990  2.5657 62.786  2.5506 2.204372       3.617774  
1 1 1 10  14  15 o 188.349 2.6523 1754.06  49.307  1769.38  69.975  1738.94  69.490  188.994 3.7511 187.360 3.7576 1.634048       5.309486  
1 1 1 10  14  16 o 173.997 2.5157 1496.74  43.206  1471.77  61.350  1521.31  60.858  172.382 3.6057 175.274 3.5178 -2.892349      5.037426  
1 1 1 10  14  17 o 80.066  1.5465 316.589  12.221  308.995  17.291  324.169  17.276  79.071  2.2155 80.992  2.1611 -1.921005      3.094981  
1 1 1 10  14  18 o 128.070 6.3388 819.341  80.128  771.680  113.040 867.474  113.598 123.085 9.3750 130.753 8.8543 -7.668839      12.89533  
1 1 1 10  14  19 o 59.179  6.2948 176.965  36.205  164.796  50.672  189.657  51.747  56.269  9.4593 60.616  8.9153 -4.346729      12.99850  
1 1 1 10  14  20 o 56.301  1.4539 156.555  8.0796  154.163  11.555  158.843  11.302  55.847  2.0962 56.691  2.0198 -0.8445320     2.910924  
1 1 1 10  14  21 o 106.091 2.0828 556.455  21.810  553.228  31.929  559.278  29.862  105.675 3.0612 106.278 2.8467 -0.6035538     4.180248  
1 1 1 10  14  22 o 49.701  2.2439 122.207  11.008  184.499  48.590  118.837  11.301  59.566  8.5060 49.006  2.3364 10.56041       8.821054  
1 1 1 10  14  23 o 33.745  1.8451 56.479   6.1224  68.974   17.616  54.763   6.5294  36.793  4.9786 33.211  2.0012 3.581314       5.365706  
1 1 1 10  14  24 o 71.698  2.3178 254.716  16.403  259.602  24.446  250.715  22.122  72.211  3.4298 71.011  3.1562 1.199356       4.661062  
1 1 1 10  14  25 o 38.057  3.1080 72.556   11.573  73.868   16.664  71.334   16.084  38.092  4.5204 37.445  4.4381 0.6471405      6.334861  
1 1 1 10  14  26 o 67.294  6.5343 234.667  42.855  233.282  59.734  236.136  61.517  65.421  9.5306 65.660  9.7916 -0.2387238     13.66407  
1 1 1 10  14  27 o 48.018  3.1725 115.541  14.952  99.843   27.693  122.000  17.763  43.500  6.6620 49.221  3.6830 -5.720665      7.612273  
1 1 1 10  15  0  o 15.730  4.0950 12.724   6.4199  13.783   9.2284  11.731   8.9367  16.655  5.1185 15.621  5.0687 1.033504       7.203523  
1 1 1 10  15  1  o 118.329 2.3327 692.023  27.245  575.404  99.980  701.378  28.317  106.255 9.6378 119.120 2.4084 -12.86504      9.934169  
1 1 1 10  15  2  o 59.367  1.6482 174.057  9.6581  201.868  14.397  151.302  13.023  63.913  2.2822 55.329  2.3847 8.584225       3.300776  
1 1 1 10  15  3  o 196.773 2.6959 1914.34  52.360  1909.70  74.439  1918.88  73.664  196.353 3.8409 196.833 3.7916 -0.4804077     5.397110  
1 1 1 10  15  4  o 149.810 1.9838 1108.67  29.334  1104.89  41.817  1112.33  41.159  149.480 2.8342 149.987 2.7802 -0.5074158     3.970194  
1 1 1 10  15  5  o 88.768  1.5305 389.098  13.409  382.866  19.349  394.856  18.601  88.026  2.2270 89.399  2.1079 -1.373276      3.066431  
1 1 1 10  15  6  o 56.085  1.4558 155.319  8.0589  151.096  10.264  162.108  13.014  55.308  1.8801 57.276  2.3020 -1.967697      2.972165  
1 1 1 10  15  7  o 143.456 1.9653 1016.60  27.828  963.579  40.625  1063.47  38.196  139.583 2.9487 146.670 2.6384 -7.087341      3.956767  
1 1 1 10  15  8  o 252.241 7.6645 3185.20  190.823 3159.55  269.876 3210.83  269.853 249.381 10.964 251.457 10.873 -2.075226      15.44086  
1 1 1 10  15  9  o 92.030  6.0703 423.576  54.831  416.956  77.561  430.189  77.524  90.659  8.7776 92.140  8.6246 -1.481789      12.30564  
1 1 1 10  15  10 o 50.399  1.8678 125.467  9.2915  115.099  12.913  136.599  13.380  48.171  2.7270 52.567  2.5787 -4.395355      3.753184  
1 1 1 10  15  11 o 121.936 1.8545 734.420  22.320  747.330  30.974  720.475  32.191  122.954 2.5522 120.713 2.7017 2.241440       3.716601  
1 1 1 10  15  12 o 221.311 7.2848 2450.65  159.130 2431.54  225.030 2469.75  225.058 218.892 10.415 220.653 10.334 -1.760452      14.67187  
1 1 1 10  15  13 o 52.477  1.1476 135.956  5.9441  118.584  8.4711  152.806  8.3428  48.999  1.7516 55.627  1.5195 -6.628387      2.318780  
1 1 1 10  15  14 o 45.717  1.4626 103.210  6.6000  94.428   13.480  105.980  7.5695  43.569  3.1559 46.323  1.6555 -2.754017      3.563742  
1 1 1 10  15  15 o 156.738 2.3115 1214.25  35.759  1234.39  50.933  1194.68  50.217  157.912 3.2678 155.350 3.2750 2.562027       4.626430  
1 1 1 10  15  16 o 261.094 3.4884 3376.43  89.898  3365.31  122.635 3389.35  132.171 260.257 4.7739 261.050 5.1296 -0.7930908     7.007346  
1 1 1 10  15  17 o 152.800 2.4850 1154.46  37.479  1126.62  53.255  1181.79  52.755  150.792 3.5781 154.459 3.4603 -3.667175      4.977633  
1 1 1 10  15  18 o 171.751 6.7821 1477.86  114.973 1477.52  162.542 1478.20  162.652 170.149 9.7187 170.186 9.7232 -0.3688049E-01 13.74750  
1 1 1 10  15  19 o 87.339  2.0704 377.034  17.849  359.805  25.823  392.794  24.698  85.242  3.0692 89.089  2.8087 -3.846207      4.160356  
1 1 1 10  15  20 o 95.602  2.0367 451.802  19.219  447.065  29.501  455.295  25.331  94.993  3.1464 95.915  2.6757 -0.9219742     4.130297  
1 1 1 10  15  21 o 62.840  2.3626 195.378  14.654  189.114  21.511  200.802  20.018  61.627  3.5515 63.560  3.2010 -1.933815      4.781180  
1 1 1 10  15  22 o 73.054  2.2039 264.078  15.892  281.043  23.490  249.761  21.580  75.259  3.1622 70.957  3.0812 4.302246       4.415145  
1 1 1 10  15  23 o 57.757  6.3341 170.846  35.517  152.299  49.824  190.010  50.644  53.161  9.8583 59.988  8.8162 -6.826553      13.22546  
1 1 1 10  15  24 o 30.377  1.0741 45.583   3.2206  39.458   4.5964  51.490   4.5138  28.195  1.6589 32.274  1.4170 -4.078747      2.181694  
1 1 1 10  15  25 o 58.151  6.5105 175.489  36.727  157.441  50.983  194.959  52.954  53.309  10.058 59.930  9.2496 -6.621033      13.66442  
1 1 1 10  15  26 o 49.094  4.4623 122.344  21.387  152.265  46.755  114.426  24.051  52.617  9.3448 47.214  5.2497 5.402935       10.71847  
1 1 1 10  15  27 f 79.929  2.1179 316.965  16.708  355.447  29.191  298.214  20.377  84.254  3.5101 77.409  2.6669 6.845001       4.408314  
1 1 1 10  16  0  o 253.543 3.2735 3184.71  81.921  3172.44  121.700 3194.88  110.776 252.462 4.8838 253.545 4.4265 -1.083099      6.591325  
1 1 1 10  16  1  o 73.587  1.4798 267.431  10.748  277.234  15.961  259.298  14.538  74.894  2.1592 72.437  2.0334 2.457146       2.965946  
1 1 1 10  16  2  o 131.268 9.1758 875.367  118.140 875.367  118.140 0.0000   0.0000  131.268 9.1758 ?       ?      0.000000       9.175794  
1 1 1 10  16  3  o 78.757  1.5590 306.324  12.119  324.002  17.767  290.942  16.573  80.970  2.2231 76.729  2.1883 4.240334       3.119473  
1 1 1 10  16  4  o 104.625 1.6700 540.638  17.246  535.365  25.032  545.402  23.795  104.070 2.4369 105.050 2.2948 -0.9806366     3.347389  
1 1 1 10  16  5  o 81.103  1.5940 324.837  12.760  317.738  18.719  331.000  17.441  80.179  2.3653 81.845  2.1589 -1.666252      3.202442  
1 1 1 10  16  6  o 107.805 1.6532 573.977  17.592  549.013  25.013  598.412  24.746  105.392 2.4045 110.040 2.2784 -4.647919      3.312487  
1 1 1 10  16  7  o 107.477 2.4160 570.952  25.630  584.564  37.238  558.700  35.329  108.661 3.4720 106.240 3.3691 2.421242       4.837922  
1 1 1 10  16  8  o 125.561 6.2733 786.175  77.747  769.025  109.902 803.357  110.000 123.170 9.1045 125.975 8.9040 -2.804619      12.73472  
1 1 1 10  16  9  o 58.639  1.9041 169.863  11.021  192.765  16.365  150.857  14.908  62.438  2.6554 55.233  2.7345 7.205677       3.811669  
1 1 1 10  16  10 o 63.145  1.3980 196.885  8.7132  175.298  12.174  219.556  12.476  59.564  2.0707 66.667  1.8960 -7.102581      2.807610  
1 1 1 10  16  11 o 29.732  1.4679 43.652   4.3077  52.426   11.583  42.244   4.6405  32.323  3.6972 29.202  1.6163 3.121325       4.035021  
1 1 1 10  16  12 o 84.715  1.6083 354.442  13.448  352.304  19.019  356.581  19.017  84.428  2.2823 84.940  2.2683 -0.5116577     3.217780  
1 1 1 10  16  13 f 116.634 2.7756 672.847  31.953  655.431  33.473  851.576  107.233 115.098 2.9464 129.782 8.4164 -14.68385      8.917295  
1 1 1 10  16  14 o 95.094  1.7440 446.689  16.369  472.526  23.737  423.259  22.604  97.762  2.4599 92.524  2.4752 5.237747       3.489643  
1 1 1 10  16  15 o 98.658  1.8347 480.862  17.866  476.933  25.515  484.643  25.026  98.200  2.6324 98.997  2.5612 -0.7962265     3.672743  
1 1 1 10  16  16 o 74.540  2.2084 274.639  16.248  280.623  21.576  266.800  24.694  75.305  2.9028 73.389  3.4090 1.915680       4.477452  
1 1 1 10  16  17 o 121.338 6.3455 738.441  75.733  694.313  106.840 783.005  107.367 116.548 9.3665 124.043 8.8269 -7.494751      12.87034  
1 1 1 10  16  18 o 32.070  4.8576 52.316   14.895  41.051   21.356  62.984   20.784  28.074  7.5451 34.972  6.2505 -6.897709      9.797874  
1 1 1 10  16  19 o 23.235  1.6958 26.816   3.8622  35.293   17.005  26.355   3.9659  26.024  6.6079 23.028  1.7581 2.995573       6.837806  
1 1 1 10  16  20 o 37.433  4.2422 70.572   15.397  80.925   23.863  63.187   20.154  39.686  6.3026 35.025  6.0483 4.660545       8.735307  
1 1 1 10  16  21 o 59.394  1.5673 174.313  9.1883  178.263  13.104  170.492  12.887  60.026  2.2117 58.702  2.2242 1.323772       3.136693  
1 1 1 10  16  22 o 83.380  1.7721 343.762  14.584  348.325  20.860  339.399  20.397  83.849  2.5204 82.771  2.4967 1.078300       3.547687  
1 1 1 10  16  23 o 153.242 2.4013 1163.91  36.321  1208.86  52.563  1122.82  50.247  155.833 3.4173 150.195 3.3894 5.637482       4.813107  
1 1 1 10  16  24 o 88.919  4.5326 398.405  39.649  391.988  42.361  443.755  112.613 88.049  4.8936 87.397  13.489 0.6519852      14.34886  
1 1 1 10  16  25 o 61.338  6.7371 196.325  40.116  203.246  56.084  189.074  57.405  60.773  9.6739 58.136  10.385 2.637928       14.19267  
1 1 1 10  16  26 o 56.429  2.7055 158.436  15.069  162.984  22.544  154.764  20.259  56.812  4.0468 55.451  3.7232 1.361130       5.498957  
1 1 1 10  16  27 o 63.618  2.9639 201.993  18.611  214.888  25.218  186.567  27.581  65.229  3.9353 60.484  4.6557 4.744900       6.096012  
1 1 1 10  17  0  o 192.571 2.6564 1836.12  50.491  1861.85  71.794  1810.94  71.024  193.600 3.7571 190.931 3.7687 2.668625       5.321549  
1 1 1 10  17  1  f 86.271  1.5039 367.646  12.806  374.911  19.247  361.875  17.155  87.071  2.2395 85.559  2.0314 1.511765       3.023550  
1 1 1 10  17  2  o 58.664  1.7329 170.025  10.034  166.001  15.593  172.869  13.109  57.920  2.7275 59.131  2.2461 -1.211273      3.533275  
1 1 1 10  17  3  o 48.344  12.646 125.783  61.033  0.0000   0.0000  125.783  61.033  ?       ?      48.344  12.646 0.000000       12.64582  
1 1 1 10  17  4  o 76.222  1.7519 287.000  13.180  300.666  19.661  275.846  17.762  77.974  2.5546 74.695  2.4092 3.279312       3.511486  
1 1 1 10  17  5  o 35.045  2.5516 61.051   8.7657  69.445   12.558  53.075   12.242  37.287  3.4512 32.490  3.8949 4.797035       5.203932  
1 1 1 10  17  6  o 10.123  4.2086 1.1092   6.9391  3.8409   10.060  -1.3705  9.5843  12.892  5.1770 11.026  4.7761 1.866074       7.043626  
1 1 1 10  17  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  17  8  o 107.675 3.7964 574.587  40.348  574.587  40.348  0.0000   0.0000  107.675 3.7964 ?       ?      0.000000       3.796400  
1 1 1 10  17  9  o 52.465  1.6085 135.948  8.3294  140.237  9.9812  126.111  15.117  53.278  1.8980 50.390  3.0538 2.888565       3.595603  
1 1 1 10  17  10 o 65.720  1.8297 213.369  11.869  204.166  17.742  220.823  15.968  64.244  2.7979 66.833  2.4206 -2.588821      3.699690  
1 1 1 10  17  11 o 108.117 1.8295 577.471  19.524  594.632  28.572  562.440  26.741  109.652 2.6399 106.651 2.5403 3.001137       3.663605  
1 1 1 10  17  12 o 94.042  1.7790 436.887  16.513  463.427  24.655  415.295  22.238  96.804  2.5804 91.648  2.4583 5.156273       3.563965  
1 1 1 10  17  13 o 93.250  1.6576 429.513  15.256  455.493  21.586  403.582  21.566  95.992  2.2783 90.347  2.4184 5.644753       3.322499  
1 1 1 10  17  14 o 92.030  2.4238 418.792  22.017  421.024  22.999  394.319  76.155  92.268  2.5254 87.841  8.9066 4.426468       9.257679  
1 1 1 10  17  15 o 105.187 1.8725 546.694  19.441  559.237  27.562  534.276  27.425  106.326 2.6262 103.922 2.6737 2.404335       3.747743  
1 1 1 10  17  16 f 102.293 6.2719 525.515  63.020  537.956  89.230  513.134  89.017  102.618 8.8977 100.126 9.1068 2.491631       12.73198  
1 1 1 10  17  17 o 136.892 7.5495 947.353  101.613 968.765  177.006 936.829  124.098 135.043 13.459 135.276 9.3516 -0.2330170     16.38880  
1 1 1 10  17  18 o 87.911  2.1244 382.108  18.433  379.467  27.183  384.356  25.081  87.512  3.1470 88.102  2.8842 -0.5901260     4.268781  
1 1 1 10  17  19 o 15.296  5.3260 10.468   9.8623  14.566   14.390  6.8385   13.543  18.179  6.4257 15.389  6.0630 2.790115       8.834616  
1 1 1 10  17  20 o 85.678  2.0802 363.068  17.592  344.982  27.543  375.529  22.862  83.373  3.3470 87.076  2.6600 -3.702835      4.275305  
1 1 1 10  17  21 o 58.664  1.5731 170.092  9.1089  167.086  13.135  172.877  12.643  58.096  2.2905 59.104  2.1673 -1.007710      3.153328  
1 1 1 10  17  22 o 52.931  2.7223 139.349  14.174  167.315  21.574  118.108  18.802  57.812  3.8020 48.497  3.9625 9.314629       5.491499  
1 1 1 10  17  23 o 69.647  1.7849 240.040  12.270  242.712  17.621  237.525  17.096  69.935  2.5527 69.191  2.5032 0.7441254      3.575261  
1 1 1 10  17  24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  17  25 o 59.758  3.1004 178.594  18.224  196.739  34.704  171.685  21.415  61.766  5.7588 58.414  3.7337 3.351482       6.863267  
1 1 1 10  17  26 o 26.664  1.2291 35.153   3.2349  24.060   4.7967  44.407   4.3812  21.899  2.2512 29.957  1.4817 -8.058001      2.695091  
1 1 1 10  17  27 o 95.645  6.6556 481.534  62.441  498.404  87.773  464.249  88.846  94.294  9.5630 90.336  10.139 3.957855       13.93749  
1 1 1 10  18  0  o 154.270 2.0681 1177.58  31.491  1165.13  44.789  1189.75  44.285  153.245 2.9611 154.873 2.8970 -1.627731      4.142560  
1 1 1 10  18  1  o 70.979  1.5819 248.962  11.083  282.287  16.195  219.609  15.199  75.536  2.1722 66.614  2.3116 8.922516       3.172057  
1 1 1 10  18  2  f 41.856  1.8774 86.600   7.7560  104.095  12.914  76.728   9.7005  45.750  2.8744 39.293  2.5144 6.456875       3.818912  
1 1 1 10  18  3  o 50.504  2.0529 126.098  10.233  116.814  13.289  139.626  16.042  48.494  2.7880 52.998  3.0799 -4.503590      4.154333  
1 1 1 10  18  4  o 26.172  8.4135 33.994   24.665  0.0000   0.0000  33.994   24.665  ?       ?      26.172  8.4135 0.000000       8.413455  
1 1 1 10  18  5  o 32.637  2.6686 53.051   8.5213  50.433   13.209  54.917   11.152  31.570  4.3550 33.109  3.4639 -1.539581      5.564543  
1 1 1 10  18  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  18  7  o 28.377  8.9540 40.418   28.037  40.418   28.037  0.0000   0.0000  28.377  8.9540 ?       ?      0.000000       8.954039  
1 1 1 10  18  8  o 65.137  1.9478 209.654  12.523  223.498  18.452  197.834  17.050  67.209  2.7816 63.236  2.7317 3.973587       3.898588  
1 1 1 10  18  9  o 111.794 1.8488 617.488  20.401  625.789  28.860  609.198  28.842  112.481 2.5995 110.976 2.6330 1.504257       3.700025  
1 1 1 10  18  10 o 58.389  1.7219 168.422  9.9238  154.160  12.598  191.738  16.109  55.842  2.2857 62.260  2.6213 -6.418118      3.477913  
1 1 1 10  18  11 o 123.833 1.8954 757.714  23.167  720.119  33.542  792.007  32.035  120.634 2.8170 126.541 2.5649 -5.906952      3.809722  
1 1 1 10  18  12 o 119.243 1.8781 702.575  22.105  713.403  32.105  692.815  30.480  120.079 2.7088 118.345 2.6094 1.734581       3.761145  
1 1 1 10  18  13 o 61.418  1.7054 186.353  10.338  189.576  18.088  184.790  12.599  61.882  2.9614 61.144  2.0876 0.7385750      3.623266  
1 1 1 10  18  14 o 149.374 2.2752 1103.25  33.546  1159.33  48.430  1051.54  46.510  152.981 3.2073 145.691 3.2343 7.289978       4.554956  
1 1 1 10  18  15 o 153.080 6.6165 1175.80  99.973  1197.28  141.232 1154.22  141.535 152.941 9.4013 150.037 9.6077 2.903793       13.44214  
1 1 1 10  18  16 o 124.145 6.4268 775.171  78.481  757.425  110.883 792.986  111.095 121.467 9.3196 124.405 9.1107 -2.938324      13.03308  
1 1 1 10  18  17 o 111.699 1.9804 616.781  21.834  625.078  32.105  609.642  29.781  112.341 2.8954 110.968 2.7190 1.372375       3.971928  
1 1 1 10  18  18 o 55.586  2.6315 152.980  14.438  175.892  22.643  137.284  18.742  59.367  3.8857 52.457  3.6423 6.910534       5.325892  
1 1 1 10  18  19 o 88.620  2.2881 388.638  20.014  397.863  30.150  381.370  26.761  89.518  3.4122 87.690  3.0919 1.828072       4.604682  
1 1 1 10  18  20 o 66.474  1.7036 218.448  11.178  224.269  16.035  212.945  15.590  67.295  2.4140 65.575  2.4086 1.720383       3.410146  
1 1 1 10  18  21 o 17.065  5.3649 14.523   10.074  4.5477   14.835  23.059   13.723  15.206  6.2202 21.130  6.1851 -5.924303      8.771883  
1 1 1 10  18  22 o 46.083  3.0613 106.065  13.845  124.493  21.212  92.387   18.275  49.654  4.3727 42.714  4.3975 6.939754       6.201466  
1 1 1 10  18  23 o 47.460  8.1560 121.037  36.829  115.796  44.824  131.928  64.615  45.414  10.244 46.914  13.328 -1.500446      16.80976  
1 1 1 10  18  24 o 81.893  1.5025 331.809  12.145  341.060  17.201  322.613  17.149  82.927  2.1015 80.643  2.1545 2.283913       3.009680  
1 1 1 10  18  25 o 48.195  3.7948 117.316  17.906  139.502  45.818  113.317  19.453  49.793  9.6711 47.235  4.2168 2.558426       10.55039  
1 1 1 10  18  26 o 12.722  5.2214 3.2027   10.497  1.4020   15.291  4.8075   14.435  14.428  6.1368 14.923  6.1237 -0.4947834     8.669491  
1 1 1 10  19  0  o 65.028  1.4738 209.026  9.4596  228.078  13.583  191.083  13.182  67.878  2.0274 62.118  2.1499 5.760155       2.955075  
1 1 1 10  19  1  o 56.323  1.6169 156.836  8.9888  163.621  14.370  152.475  11.521  57.453  2.5341 55.500  2.1031 1.953545       3.293118  
1 1 1 10  19  2  o 49.245  1.7875 119.915  8.6885  127.205  13.323  114.520  11.461  50.588  2.6777 48.024  2.4257 2.564251       3.613030  
1 1 1 10  19  3  f 36.237  2.2273 65.224   7.9278  70.381   12.177  61.430   10.444  37.507  3.3237 35.062  3.0483 2.444889       4.509914  
1 1 1 10  19  4  o 74.610  1.5728 275.061  11.583  272.043  16.806  277.792  15.985  74.149  2.2963 74.940  2.1611 -0.7903824     3.153342  
1 1 1 10  19  5  f 118.853 6.3532 711.662  74.260  674.946  104.803 748.684  105.239 114.381 9.3651 120.753 8.8922 -6.372505      12.91417  
1 1 1 10  19  6  o 163.680 6.7297 1347.28  108.724 1364.28  153.726 1330.26  153.792 162.897 9.6034 160.757 9.7383 2.140289       13.67702  
1 1 1 10  19  7  o 30.087  3.2978 45.401   9.6332  47.630   15.493  43.997   12.300  30.460  5.3483 29.434  4.3661 1.026077       6.904099  
1 1 1 10  19  8  o 151.150 2.2152 1129.67  33.049  1126.52  48.549  1132.39  45.116  150.772 3.2623 151.208 3.0229 -0.4359131     4.447534  
1 1 1 10  19  9  o 127.650 2.1116 805.549  26.605  821.654  38.380  790.650  36.913  128.805 3.0188 126.360 2.9596 2.444969       4.227633  
1 1 1 10  19  10 o 134.182 2.0719 890.043  27.441  908.141  39.788  873.624  37.897  135.421 2.9767 132.835 2.8904 2.585632       4.149093  
1 1 1 10  19  11 o 82.742  1.9108 338.354  15.605  350.863  22.285  326.320  21.859  84.200  2.6814 81.198  2.7274 3.002213       3.824792  
1 1 1 10  19  12 o 49.911  2.4048 123.224  11.847  125.051  16.920  121.465  16.594  50.104  3.4422 49.379  3.4258 0.7245674      4.856431  
1 1 1 10  19  13 o 41.420  1.4448 84.742   5.9070  73.455   14.638  86.938   6.4560  38.262  3.9318 41.951  1.5592 -3.688591      4.229637  
1 1 1 10  19  14 o 76.065  6.2508 292.078  46.515  291.737  65.436  292.427  66.133  75.137  9.0026 75.192  9.0956 -0.5554962E-01 12.79753  
1 1 1 10  19  15 o 21.855  7.0192 23.565   17.171  29.863   23.524  16.382   25.121  24.788  8.2325 21.649  8.3345 3.139547       11.71490  
1 1 1 10  19  16 o 130.634 2.2489 844.184  28.998  861.645  42.845  829.425  39.390  131.800 3.2934 129.353 3.0852 2.447784       4.512772  
1 1 1 10  19  17 o 160.173 2.5680 1270.33  40.600  1303.22  56.907  1236.24  57.941  161.987 3.5592 157.723 3.7218 4.263901       5.149725  
1 1 1 10  19  18 o 32.446  3.9593 53.159   12.417  61.497   19.706  47.669   15.990  34.488  6.0073 30.372  5.5380 4.116076       8.170547  
1 1 1 10  19  19 o 44.994  1.3632 100.027  6.0540  102.515  8.6336  97.620   8.4913  45.524  1.9214 44.424  1.9366 1.100933       2.728000  
1 1 1 10  19  20 o 60.298  2.4875 180.224  14.804  179.643  22.328  180.681  19.777  59.910  3.7955 60.177  3.3427 -0.2673454     5.057636  
1 1 1 10  19  21 o 111.952 2.1965 621.003  24.271  612.358  35.693  628.439  33.103  110.906 3.2606 112.432 2.9830 -1.526581      4.419216  
1 1 1 10  19  22 o 62.432  6.4212 201.895  39.005  220.648  55.024  182.953  55.301  63.942  8.9646 57.479  10.117 6.463329       13.51717  
1 1 1 10  19  23 o 62.449  3.2703 195.287  20.088  199.372  29.068  191.552  27.792  62.611  4.7387 61.410  4.6190 1.201496       6.617386  
1 1 1 10  19  24 o 38.902  1.2662 74.836   4.8618  77.469   7.0176  72.406   6.7419  39.540  1.7981 38.228  1.7868 1.312885       2.534905  
1 1 1 10  19  25 o 76.835  2.1586 293.174  16.371  312.048  28.315  283.697  20.064  78.821  3.6395 75.453  2.6941 3.368011       4.528117  
1 1 1 10  19  26 o 54.161  2.7419 146.769  14.610  244.283  57.231  139.971  15.111  66.045  9.0147 52.843  2.9083 13.20229       9.472247  
1 1 1 10  20  0  o 57.562  1.6891 163.916  9.5968  152.421  14.042  173.991  13.146  55.420  2.5670 59.250  2.2478 -3.829926      3.412092  
1 1 1 10  20  1  o 22.880  3.6081 26.725   7.8784  22.800   14.196  28.472   9.4706  21.024  6.3252 23.502  4.2385 -2.477991      7.614049  
1 1 1 10  20  2  o 17.074  4.0054 15.143   6.6336  12.776   9.6215  17.288   9.1583  16.167  5.2600 18.243  4.9570 -2.075893      7.227690  
1 1 1 10  20  3  o 37.994  2.2680 71.759   8.4666  58.456   12.460  83.171   11.540  34.040  3.7718 40.830  2.8820 -6.789803      4.746818  
1 1 1 10  20  4  o 42.389  2.3660 89.275   9.8598  99.839   18.666  85.188   11.612  44.510  4.3024 41.339  2.8635 3.171394       5.168194  
1 1 1 10  20  5  o 113.050 7.4530 654.040  82.698  628.296  143.112 666.946  101.328 106.244 13.987 113.159 9.1504 -6.914146      16.71421  
1 1 1 10  20  6  o 71.738  2.5220 254.865  17.858  250.774  18.577  304.671  64.823  71.147  2.6453 76.554  8.7352 -5.407135      9.126927  
1 1 1 10  20  7  o 50.633  2.0687 126.804  10.339  130.861  15.425  123.494  13.931  51.280  3.0615 49.839  2.8437 1.440590       4.178390  
1 1 1 10  20  8  o 60.171  1.8451 178.978  10.958  177.347  16.113  180.382  14.947  59.837  2.7282 60.364  2.5087 -0.5267487     3.706248  
1 1 1 10  20  9  o 74.677  1.6737 275.586  12.337  260.833  19.011  286.319  16.215  72.578  2.6537 76.084  2.1592 -3.506065      3.421189  
1 1 1 10  20  10 o 82.381  1.8012 335.443  14.646  343.132  23.361  330.464  18.799  83.226  2.8438 81.726  2.3305 1.500160       3.676731  
1 1 1 10  20  11 o 71.541  1.9767 253.048  13.958  275.392  21.516  236.811  18.341  74.552  2.9239 69.154  2.6871 5.397758       3.971106  
1 1 1 10  20  12 o 15.991  5.0921 12.535   9.0515  14.548   16.929  11.729   10.711  18.873  6.9301 16.071  5.5530 2.802187       8.880452  
1 1 1 10  20  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  20  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  20  15 f 69.940  2.3378 242.110  16.139  236.743  24.593  246.169  21.388  68.927  3.6277 70.450  3.0758 -1.522476      4.756087  
1 1 1 10  20  16 o 30.507  4.1495 47.203   12.171  44.470   17.098  50.010   17.328  29.186  6.1302 31.047  5.8696 -1.860497      8.487107  
1 1 1 10  20  17 o 66.045  1.2828 215.484  8.3627  220.070  11.789  210.839  11.865  66.712  1.7903 65.294  1.8410 1.417717       2.567996  
1 1 1 10  20  18 o 90.102  2.5030 402.365  22.261  413.577  29.448  387.416  34.004  91.212  3.2709 88.144  3.9085 3.067993       5.096541  
1 1 1 10  20  19 o 13.837  5.6623 3.6847   12.299  7.4745   14.033  -8.8734  25.544  15.681  6.1736 16.822  7.5186 -1.140551      9.728472  
1 1 1 10  20  20 o 14.007  5.9033 1.6083   13.938  2.1852   16.555  0.2034   25.834  15.284  6.4372 18.329  7.8903 -3.044677      10.18304  
1 1 1 10  20  21 o 47.895  9.7964 127.538  44.750  127.538  44.750  0.0000   0.0000  47.895  9.7964 ?       ?      0.000000       9.796386  
1 1 1 10  20  22 o 73.528  9.3820 296.846  66.538  296.846  66.538  0.0000   0.0000  73.528  9.3820 ?       ?      0.000000       9.382049  
1 1 1 10  20  23 o 20.384  1.4251 20.658   2.8492  28.475   4.0808  13.222   3.9799  23.912  1.7410 16.102  2.5922 7.810024       3.122565  
1 1 1 10  20  24 o 37.754  1.3364 70.516   4.9800  77.310   7.1710  64.188   6.9211  39.488  1.8399 35.917  1.9597 3.570545       2.688012  
1 1 1 10  20  25 o 74.778  2.6816 278.947  19.792  294.941  30.443  267.236  26.049  76.269  4.0586 72.872  3.6216 3.396797       5.439483  
1 1 1 10  21  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  21  1  o 28.895  2.6709 41.828   7.5315  41.261   11.313  42.281   10.094  28.400  4.1589 28.875  3.6212 -0.4753246     5.514492  
1 1 1 10  21  2  o 58.114  1.7539 167.134  10.061  165.352  15.731  168.368  13.087  57.685  2.7628 58.273  2.2753 -0.5878334     3.579122  
1 1 1 10  21  3  o 46.297  2.3564 106.572  10.733  128.590  21.138  98.924   12.458  50.465  4.2842 44.523  2.8498 5.942215       5.145443  
1 1 1 10  21  4  f 78.048  6.2287 312.221  47.584  298.863  67.252  325.611  67.335  74.679  9.3271 78.270  8.8727 -3.590675      12.87322  
1 1 1 10  21  5  o 59.053  1.8646 172.574  10.868  170.788  15.328  174.378  15.412  58.665  2.6472 59.280  2.6340 -0.6149864     3.734389  
1 1 1 10  21  6  f 55.074  2.1936 150.219  11.924  160.691  18.426  142.674  15.641  56.741  3.3043 53.513  2.9729 3.227627       4.444863  
1 1 1 10  21  7  o 24.969  5.6259 32.634   13.533  32.634   13.533  0.0000   0.0000  24.969  5.6259 ?       ?      0.000000       5.625900  
1 1 1 10  21  8  o 64.869  1.5685 208.003  10.043  200.650  16.769  212.115  12.540  63.616  2.6707 65.480  1.9403 -1.863476      3.301096  
1 1 1 10  21  9  o 52.648  2.0235 137.143  10.515  149.086  15.761  127.564  14.116  54.740  2.9278 50.636  2.8358 4.103710       4.076009  
1 1 1 10  21  10 o 35.856  2.7689 64.120   9.7237  60.532   14.382  67.141   13.197  34.570  4.3085 36.549  3.7096 -1.978844      5.685437  
1 1 1 10  21  11 o 112.464 1.9203 625.589  21.317  629.437  29.989  621.659  30.306  112.688 2.6962 111.981 2.7419 0.7067642      3.845442  
1 1 1 10  21  12 o 137.092 6.5314 951.426  88.380  941.691  124.704 961.250  125.273 134.265 9.4706 135.705 9.4107 -1.440002      13.35114  
1 1 1 10  21  13 o 56.389  6.6059 163.143  36.071  166.942  51.519  159.491  50.519  55.897  9.6889 54.590  9.7327 1.306454       13.73319  
1 1 1 10  21  14 o 107.152 2.1569 568.323  22.812  582.428  33.313  555.869  31.302  108.300 3.1164 105.826 2.9968 2.473557       4.323458  
1 1 1 10  21  15 o 60.889  1.5871 183.279  9.5382  197.423  13.702  169.981  13.286  63.146  2.1984 58.584  2.2976 4.561581       3.179926  
1 1 1 10  21  16 o 36.023  4.5401 65.963   15.784  63.772   20.163  69.431   25.368  35.029  6.0502 36.218  7.3474 -1.188335      9.517831  
1 1 1 10  21  17 o 75.888  2.8350 285.990  21.235  0.0000   0.0000  285.990  21.235  ?       ?      75.888  2.8350 0.000000       2.834998  
1 1 1 10  21  18 o 38.807  1.5382 74.472   5.8917  63.187   8.3565  85.628   8.3081  35.616  2.3909 41.581  2.0243 -5.965416      3.132782  
1 1 1 10  21  19 o 28.673  4.7867 42.496   13.070  39.002   20.350  44.949   17.051  26.973  7.4140 29.159  6.1194 -2.186230      9.613296  
1 1 1 10  21  20 o 66.903  14.120 273.693  90.316  0.0000   0.0000  273.693  90.316  ?       ?      66.903  14.120 0.000000       14.12038  
1 1 1 10  21  21 o 36.060  9.9913 74.320   36.788  0.0000   0.0000  74.320   36.788  ?       ?      36.060  9.9913 0.000000       9.991302  
1 1 1 10  21  22 o 55.747  2.1109 154.283  11.615  153.881  12.432  157.038  32.579  55.650  2.2633 54.769  6.1318 0.8813591      6.536135  
1 1 1 10  21  23 o 47.530  1.3945 111.800  6.5422  94.379   8.9760  131.542  9.5553  43.596  2.0860 51.498  1.8798 -7.902195      2.808032  
1 1 1 10  21  24 o 55.391  1.3488 151.841  7.3744  154.314  12.413  150.493  9.1675  55.700  2.2579 55.101  1.6856 0.5988007      2.817663  
1 1 1 10  21  25 o 77.148  3.7539 300.853  28.585  261.115  30.711  558.371  78.180  71.450  4.3758 100.857 7.9170 -29.40653      9.045795  
1 1 1 10  22  2  o 69.230  1.7261 237.290  11.795  251.159  18.626  228.005  15.240  71.070  2.6552 67.782  2.2779 3.287895       3.498420  
1 1 1 10  22  3  o 76.407  6.4007 301.907  47.827  265.909  67.012  339.284  68.282  69.421  10.074 79.438  8.8595 -10.01741      13.41549  
1 1 1 10  22  4  o 43.823  6.6567 100.836  27.888  107.185  39.861  94.748   39.030  43.997  9.4602 41.190  9.7512 2.806839       13.58611  
1 1 1 10  22  5  o 85.917  1.7809 365.428  15.103  384.600  22.119  348.685  20.671  88.000  2.5466 83.800  2.4991 4.199837       3.567979  
1 1 1 10  22  6  o 61.172  1.9024 185.306  11.486  175.765  16.241  194.854  16.247  59.463  2.7671 62.631  2.6282 -3.167793      3.816298  
1 1 1 10  22  7  o 75.909  1.8098 285.222  13.560  260.290  19.039  310.886  19.317  72.391  2.6646 79.149  2.4726 -6.758644      3.635062  
1 1 1 10  22  8  o 14.885  5.1998 10.045   9.4040  10.005   10.947  10.158   18.372  15.372  5.5837 17.913  7.0602 -2.540432      9.001307  
1 1 1 10  22  9  o 34.953  3.0702 61.223   10.485  56.056   15.224  65.884   14.460  33.062  4.8060 36.056  4.1382 -2.993710      6.342152  
1 1 1 10  22  10 o 63.438  1.7426 199.098  10.912  201.979  19.213  197.727  13.257  63.734  3.0542 63.182  2.1258 0.5526733      3.721187  
1 1 1 10  22  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  22  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 10  22  13 o 145.046 2.4434 1043.29  34.981  1089.38  49.770  998.285  49.178  147.880 3.4097 141.519 3.5206 6.361420       4.901149  
1 1 1 10  22  14 o 68.778  2.0725 234.288  14.069  251.950  33.275  230.443  15.525  70.623  4.8021 68.182  2.3070 2.440750       5.327467  
1 1 1 10  22  15 o 74.223  2.7749 273.702  20.330  268.889  26.187  281.002  32.251  73.398  3.6147 74.711  4.3928 -1.313217      5.688839  
1 1 1 10  22  16 o 32.077  1.7543 51.074   5.5333  48.724   16.541  51.371   5.8716  30.512  5.7019 32.159  1.8577 -1.646368      5.996855  
1 1 1 10  22  17 o 100.334 2.1798 499.167  21.587  487.353  30.692  510.733  30.369  98.889  3.1445 101.266 3.0383 -2.376869      4.372553  
1 1 1 10  22  18 o 49.718  1.9426 122.494  9.5330  109.744  44.441  123.109  9.7602  43.884  10.416 49.839  1.9841 -5.955215      10.60345  
1 1 1 10  22  19 o 62.280  6.5725 203.107  39.793  196.423  55.923  209.962  56.635  59.181  9.9250 61.406  9.6635 -2.224922      13.85238  
1 1 1 10  22  20 o 24.999  7.4654 33.738   19.829  32.402   28.726  34.955   27.407  25.399  9.0680 25.883  8.8861 -0.4841251     12.69607  
1 1 1 10  22  21 o 50.590  1.3661 126.640  6.8213  118.283  8.3536  143.363  11.817  48.853  1.7324 53.709  2.2291 -4.856064      2.823117  
1 1 1 10  22  22 o 49.261  1.4537 120.139  7.0685  123.074  10.017  117.229  9.9761  49.783  2.0385 48.580  2.0805 1.202904       2.912728  
1 1 1 10  22  23 o 56.235  2.1975 157.284  12.198  153.611  12.676  203.206  44.821  55.552  2.3118 61.055  7.6020 -5.503338      7.945772  
1 1 1 10  22  24 o 14.288  5.4879 7.6688   10.875  5.8468   14.150  10.297   16.996  14.972  6.0941 17.144  6.7801 -2.172090      9.116304  
1 1 1 10  23  4  o 78.385  1.8391 304.437  14.229  314.039  21.325  296.732  19.103  79.425  2.7202 77.256  2.5051 2.168991       3.698009  
1 1 1 10  23  5  o 23.265  3.9722 27.906   8.7939  36.956   12.679  19.517   12.208  26.586  5.0155 19.403  5.8718 7.183294       7.722270  
1 1 1 10  23  6  o 57.279  2.0584 162.679  11.638  167.074  17.019  158.819  15.950  57.823  2.9922 56.399  2.8747 1.423336       4.149310  
1 1 1 10  23  7  o 57.269  1.9755 162.559  11.167  149.810  15.817  175.227  15.767  54.759  2.9372 59.349  2.6916 -4.590740      3.983957  
1 1 1 10  23  8  o 47.607  2.3000 112.503  10.808  115.231  15.977  110.201  14.674  47.902  3.4013 46.889  3.1897 1.013298       4.662961  
1 1 1 10  23  9  o 68.601  2.7338 234.130  18.511  225.415  19.302  333.950  65.326  67.277  2.9068 78.873  8.5269 -11.59613      9.008745  
1 1 1 10  23  10 o 20.503  6.8039 20.995   16.069  27.391   22.964  14.856   22.494  23.529  8.1307 20.178  7.8534 3.351149       11.30421  
1 1 1 10  23  11 o 25.501  7.3529 34.799   19.525  34.821   28.082  34.778   27.167  26.166  8.9942 26.054  8.8483 0.1119385      12.61694  
1 1 1 10  23  12 o 3.7144  1.8420 -6.1203  2.5597  13.906   14.477  -6.7666  2.6006  17.761  6.4258 3.6333  1.8108 14.12751       6.676018  
1 1 1 10  23  13 o 52.550  1.9377 136.834  10.051  175.550  19.228  122.278  11.790  59.208  3.3034 49.623  2.4071 9.585186       4.087306  
1 1 1 10  23  14 o 88.252  2.6911 387.417  23.441  380.400  24.479  464.969  81.379  87.410  2.8372 92.713  9.0064 -5.303123      9.442719  
1 1 1 10  23  15 o 19.217  5.5736 19.296   11.190  17.850   16.063  20.660   15.597  19.412  6.7950 20.282  6.7019 -0.8701210     9.543938  
1 1 1 10  23  16 o 44.514  3.2153 99.489   14.032  101.531  19.938  97.485   19.752  44.581  4.5969 43.656  4.6557 0.9246788      6.542742  
1 1 1 10  23  17 o 40.617  1.4384 81.629   5.7666  80.534   8.1168  82.745   8.1942  40.238  2.0505 40.840  2.0327 -0.6026955     2.887326  
1 1 1 10  23  18 o 33.017  7.5653 59.932   24.126  59.121   34.759  60.687   33.514  32.187  9.9406 32.599  9.6986 -0.4117126     13.88806  
1 1 1 10  23  19 f 20.550  7.1243 20.889   17.638  22.359   25.091  19.453   24.798  22.303  8.3896 21.556  8.2855 0.7462540      11.79127  
1 1 1 10  23  20 o 21.651  5.3493 25.051   11.365  24.140   15.899  26.003   16.252  21.378  6.7425 22.071  6.7940 -0.6930523     9.571805  
1 1 1 10  23  21 o 30.202  4.2908 47.174   12.431  58.156   17.462  35.889   17.702  33.143  5.5328 25.564  6.8687 7.579496       8.819941  
1 1 1 10  23  22 f 21.474  1.2152 22.887   2.5652  17.935   3.6624  27.655   3.5939  18.896  1.9937 23.573  1.5533 -4.676558      2.527406  
1 1 1 10  23  23 o 28.662  4.7988 43.274   13.096  47.961   18.378  38.439   18.667  29.539  6.4813 26.241  7.0546 3.297937       9.579882  
1 1 1 10  24  6  o 27.941  3.4470 39.700   9.3048  43.974   13.775  36.113   12.619  29.000  4.9925 26.200  5.0627 2.800299       7.110292  
1 1 1 10  24  7  o 61.333  2.0855 186.689  12.625  191.706  19.304  182.939  16.690  61.846  3.1730 60.580  2.7912 1.266846       4.225955  
1 1 1 10  24  8  o 24.624  4.0046 31.270   9.3988  21.846   14.194  38.628   12.543  20.479  6.3568 27.198  4.8499 -6.719046      7.995687  
1 1 1 10  24  9  o 28.669  7.5588 45.052   21.694  43.626   29.131  46.828   32.505  28.282  9.1488 29.251  9.6755 -0.9689503     13.31602  
1 1 1 10  24  10 o 85.147  6.4648 378.778  53.927  369.259  75.788  388.540  76.748  81.443  9.6132 83.710  9.4545 -2.266602      13.48337  
1 1 1 10  24  11 o 34.301  3.5356 59.597   11.799  61.950   17.622  57.686   15.884  34.433  5.3593 33.326  4.9818 1.106579       7.317141  
1 1 1 10  24  12 f 79.205  2.1697 311.520  16.962  315.660  25.106  308.043  23.007  79.443  3.2018 78.552  2.9674 0.8906631      4.365431  
1 1 1 10  24  13 o 28.780  4.8264 43.176   13.225  43.808   17.543  42.345   20.128  28.515  6.3912 27.820  7.2549 0.6950893      9.668538  
1 1 1 10  24  14 o 37.874  1.2499 70.943   4.6727  67.294   6.5061  74.831   6.7151  36.846  1.7890 38.858  1.7508 -2.012196      2.503142  
1 1 1 10  24  15 o 10.236  2.3411 5.4167   2.3138  4.9900   14.515  5.4279   2.3438  14.986  6.1442 10.245  2.3656 4.741488       6.583898  
1 1 1 10  24  16 o 71.064  2.0395 250.741  14.305  276.399  25.247  238.608  17.361  74.197  3.4474 69.208  2.5415 4.989243       4.282953  
1 1 1 10  24  17 o 29.459  8.3875 48.873   25.561  46.253   44.624  50.152   31.183  29.621  11.178 29.726  9.4499 -0.1048946     14.63762  
1 1 1 10  24  18 f 61.795  6.6032 203.182  39.652  190.423  55.811  216.187  56.345  57.036  10.292 61.442  9.6053 -4.405987      14.07814  
1 1 1 10  24  19 o 24.904  1.4070 30.805   3.4444  35.778   4.7485  25.283   5.0039  26.793  1.8061 22.423  2.2932 4.370373       2.918990  
1 1 1 10  24  20 o 32.690  1.7714 53.181   5.6943  63.152   33.503  52.884   5.7784  32.656  9.6928 32.594  1.8031 0.6182098E-01  9.859077  
1 1 1 10  24  21 o 32.804  6.0209 58.114   18.776  60.840   21.439  49.140   38.901  33.235  6.7655 29.219  10.539 4.015415       12.52381  
1 1 1 10  24  22 o 50.847  3.0556 130.450  15.264  130.363  21.317  130.542  21.868  50.280  4.3378 50.257  4.4545 0.2350616E-01  6.217648  
1 1 1 10  25  8  o 22.695  7.6697 26.851   20.411  19.473   29.134  33.961   28.603  22.347  8.8644 25.491  9.0542 -3.144680      12.67106  
1 1 1 10  25  9  o 69.415  6.7859 256.410  45.899  250.906  64.105  262.199  65.748  65.847  10.193 67.308  10.218 -1.460808      14.43211  
1 1 1 10  25  10 o 13.134  5.3803 3.6773   11.119  -2.0607  18.623  6.8559   13.861  15.021  6.5793 15.218  6.0890 -0.1976185     8.964591  
1 1 1 10  25  11 o 18.775  6.3238 17.648   13.876  9.4228   16.124  41.123   27.240  16.731  6.6080 27.281  8.8492 -10.54956      11.04416  
1 1 1 10  25  12 o 43.839  1.8623 95.349   8.0584  89.214   9.0016  120.107  18.083  42.312  2.1626 48.662  3.7947 -6.350098      4.367711  
1 1 1 10  25  13 o 50.798  3.2240 129.898  16.081  122.999  20.971  139.744  25.055  49.021  4.3803 52.030  4.9378 -3.009571      6.600630  
1 1 1 10  25  14 o 38.314  4.0944 75.141   15.244  74.752   24.975  75.372   19.245  36.969  7.1024 37.935  5.2832 -0.9660835     8.851929  
1 1 1 10  25  15 o 85.061  1.6319 358.626  13.701  361.142  19.377  356.110  19.375  85.175  2.3048 84.575  2.3210 0.6005478      3.270919  
1 1 1 10  25  16 o 52.912  6.8076 150.754  34.729  150.871  49.156  150.637  49.071  50.461  10.220 50.430  10.208 0.3087997E-01  14.44491  
1 1 1 10  25  17 o 47.971  3.8853 117.268  18.238  117.897  26.188  116.676  25.415  47.250  5.7327 47.083  5.5773 0.1674347      7.998080  
1 1 1 10  25  18 o 37.080  4.0178 70.603   14.470  54.771   20.392  86.659   20.536  31.513  6.7586 40.607  5.2464 -9.093428      8.555870  
1 1 1 10  25  19 o 59.846  2.8527 179.549  16.851  177.835  23.612  181.328  24.056  58.955  4.0829 59.514  4.1206 -0.5591507     5.800814  
1 1 1 10  25  20 o 27.460  5.7523 41.018   15.092  43.426   20.878  38.383   21.840  27.603  7.4778 25.942  7.8546 1.660227       10.84489  
1 1 1 10  26  12 o 12.403  5.5930 -5.8031  14.485  -8.9962  22.303  -3.4732  19.051  15.127  6.8689 14.800  6.5613 0.3267851      9.499124  
1 1 1 10  26  13 o 26.103  2.3229 34.232   5.9222  30.540   6.2960  62.592   17.448  24.579  2.6364 34.364  5.3158 -9.785315      5.933688  
1 1 1 10  26  14 o 44.553  3.3626 100.632  14.678  96.253   20.984  104.827  20.540  42.864  5.0572 44.924  4.7018 -2.060341      6.905200  
1 1 1 10  26  15 o 44.666  8.0129 113.113  34.029  116.214  47.794  109.925  48.461  42.698  11.201 41.237  11.482 1.460968       16.04059  
1 1 1 10  26  16 o 22.449  6.1702 27.702   14.095  21.100   20.412  33.719   19.487  20.740  7.6107 24.506  7.4192 -3.766689      10.62861  
1 1 1 10  26  17 o 20.535  6.9127 22.344   16.580  23.477   23.644  21.247   23.257  21.812  8.1559 21.198  8.0531 0.6137295      11.46170  
1 1 1 10  26  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -19 0  o 86.702  2.0139 373.441  17.235  400.416  31.960  362.380  20.466  89.123  3.6332 85.281  2.4313 3.841843       4.371645  
1 1 1 11  -19 1  o 34.917  8.2847 69.284   28.123  85.595   39.448  52.427   40.103  37.723  10.303 30.258  10.724 7.465717       14.87139  
1 1 1 11  -18 0  o 49.106  7.5296 130.239  35.331  112.234  50.095  148.059  49.838  43.184  11.535 50.645  10.320 -7.460781      15.47749  
1 1 1 11  -18 1  o 91.772  6.7193 442.797  60.442  428.597  85.089  457.259  85.873  87.075  10.087 90.278  9.7940 -3.202950      14.05957  
1 1 1 11  -18 2  o 93.168  3.3159 434.829  30.493  441.185  32.699  392.435  84.452  93.753  3.5336 82.696  10.590 11.05640       11.16376  
1 1 1 11  -18 3  o 59.532  2.0774 175.971  12.207  178.094  17.094  173.762  17.438  59.720  2.8999 58.888  3.0101 0.8312569      4.179763  
1 1 1 11  -17 0  o 63.637  1.1795 200.181  7.4089  206.992  10.465  193.338  10.490  64.663  1.6397 62.486  1.7009 2.176521       2.362547  
1 1 1 11  -17 1  f 60.789  1.6640 182.954  9.9839  174.966  16.697  187.400  12.456  59.262  2.8544 61.471  2.0529 -2.208851      3.515979  
1 1 1 11  -17 2  o 21.603  4.8976 24.571   10.202  20.453   13.847  29.462   15.090  19.947  6.2924 23.484  6.3552 -3.536278      8.943323  
1 1 1 11  -17 3  f 75.836  1.7120 284.806  12.815  292.069  16.614  274.138  20.135  76.713  2.1942 74.202  2.7492 2.510796       3.517452  
1 1 1 11  -17 4  o 95.512  1.8518 452.065  17.457  468.446  25.059  436.618  24.333  97.030  2.6165 93.672  2.6319 3.358780       3.711195  
1 1 1 11  -17 5  o 60.577  1.9593 181.963  11.715  169.542  16.277  195.311  16.874  58.324  2.8275 62.620  2.7300 -4.296452      3.930347  
1 1 1 11  -17 6  o 46.043  1.6411 104.995  7.4581  116.865  19.497  102.961  8.0721  47.952  4.1605 45.579  1.7943 2.372845       4.530938  
1 1 1 11  -16 0  o 42.078  1.3007 87.515   5.4022  78.046   7.6563  96.903   7.6235  39.697  1.9540 44.250  1.7455 -4.552162      2.620065  
1 1 1 11  -16 1  o 35.965  1.5972 63.988   5.6698  61.535   6.1360  78.321   14.830  35.215  1.7710 39.379  3.8653 -4.164677      4.251705  
1 1 1 11  -16 2  o 78.618  1.8280 306.027  14.185  298.565  19.690  314.078  20.453  77.530  2.5730 79.512  2.6060 -1.981964      3.662212  
1 1 1 11  -16 3  o 8.5809  1.8486 3.7865   1.5195  3.7771   1.5346  4.2559   10.849  8.5683  1.8673 13.285  5.3617 -4.716592      5.677537  
1 1 1 11  -16 4  o 26.833  1.4938 35.727   3.9407  34.556   12.834  35.849   4.1407  25.661  5.2441 26.872  1.5680 -1.211294      5.473483  
1 1 1 11  -16 5  o 39.070  2.6108 76.207   10.010  69.751   14.183  82.614   14.130  37.096  3.9337 40.492  3.5720 -3.396614      5.313441  
1 1 1 11  -16 6  o 88.586  1.6056 388.364  14.039  407.688  19.221  366.270  20.553  90.664  2.1479 85.877  2.4247 4.787033       3.239253  
1 1 1 11  -16 7  o 20.730  1.4145 21.354   2.8769  2.0868   25.165  21.609   2.8959  18.292  7.8287 20.854  1.4153 -2.561682      7.955629  
1 1 1 11  -16 8  o 31.128  8.0152 53.404   24.775  50.051   35.484  56.593   34.606  30.242  10.113 31.766  9.9365 -1.524317      14.17773  
1 1 1 11  -15 0  o 57.051  1.8952 161.035  10.672  158.971  14.744  163.306  15.467  56.618  2.6384 57.375  2.7312 -0.7567787     3.797395  
1 1 1 11  -15 1  o 126.891 1.9880 796.876  24.899  823.383  35.517  771.261  34.915  128.807 2.7936 124.653 2.8377 4.154510       3.982098  
1 1 1 11  -15 2  o 33.244  1.5991 54.645   5.2471  52.600   5.6918  66.221   13.540  32.560  1.7778 36.235  3.8445 -3.674492      4.235679  
1 1 1 11  -15 3  o 79.692  1.5181 313.996  11.941  328.824  15.781  294.138  18.263  81.503  1.9617 77.026  2.4022 4.476784       3.101429  
1 1 1 11  -15 4  o 77.721  1.7475 298.881  13.406  270.662  20.864  318.723  17.495  73.802  2.8642 80.198  2.2102 -6.396225      3.617790  
1 1 1 11  -15 5  o 53.413  1.3741 141.036  7.2443  146.431  10.389  135.929  10.107  54.380  1.9354 52.392  1.9545 1.988060       2.750654  
1 1 1 11  -15 6  o 139.962 2.0897 970.722  28.869  984.541  40.376  956.269  41.292  140.686 2.9076 138.609 3.0182 2.076904       4.190913  
1 1 1 11  -15 7  o 75.287  1.8769 280.680  13.947  286.711  18.812  273.317  20.784  75.990  2.5081 74.131  2.8405 1.859306       3.789340  
1 1 1 11  -15 8  o 4.2085  1.8778 -0.6668  1.5860  -0.2756  22.038  -0.6688  1.5902  16.856  7.2718 4.2137  1.8802 12.64250       7.510974  
1 1 1 11  -15 9  o 73.448  1.6806 267.031  12.183  246.252  16.602  291.282  17.935  70.426  2.3883 76.598  2.3722 -6.172028      3.366220  
1 1 1 11  -14 0  o 99.344  1.7821 487.894  17.475  501.488  24.236  473.173  25.220  100.644 2.4397 97.739  2.6143 2.905487       3.575786  
1 1 1 11  -14 1  o 77.798  1.6204 299.134  12.443  278.856  16.440  326.329  19.039  75.068  2.2188 81.191  2.3757 -6.122902      3.250699  
1 1 1 11  -14 2  o 71.259  1.4627 250.902  10.288  259.249  13.993  241.081  15.179  72.399  1.9581 69.796  2.2033 2.603065       2.947643  
1 1 1 11  -14 3  o 92.646  1.5824 424.235  14.471  429.831  20.459  418.633  20.471  93.187  2.2243 91.962  2.2552 1.225708       3.167566  
1 1 1 11  -14 4  o 137.331 2.2029 933.649  29.860  939.237  42.220  928.057  42.238  137.531 3.1102 136.705 3.1303 0.8264465      4.412699  
1 1 1 11  -14 5  o 13.316  1.2803 8.8414   1.6620  11.966   10.684  8.7639   1.6825  16.108  5.5471 13.254  1.3029 2.853741       5.698071  
1 1 1 11  -14 6  f 31.881  2.6962 50.791   8.4046  56.060   11.697  45.166   12.085  33.350  3.6110 29.766  4.2324 3.584063       5.563541  
1 1 1 11  -14 7  o 157.006 2.3202 1221.95  35.957  1245.87  54.140  1203.07  48.096  158.106 3.4692 155.507 3.1335 2.598892       4.674868  
1 1 1 11  -14 8  o 71.940  1.6975 256.056  12.054  238.467  16.711  275.131  17.403  69.332  2.4419 74.483  2.3672 -5.151009      3.400955  
1 1 1 11  -14 9  o 37.490  3.4444 70.675   12.603  0.0000   0.0000  70.675   12.603  ?       ?      37.490  3.4444 0.000000       3.444371  
1 1 1 11  -14 10 o 21.363  3.9023 23.533   7.9251  23.744   9.7452  23.121   13.618  21.304  4.7550 21.051  6.1613 0.2531052      7.782769  
1 1 1 11  -14 11 o 64.945  1.5101 208.652  9.6806  178.711  14.586  232.223  12.942  59.988  2.4634 68.466  1.9151 -8.478371      3.120237  
1 1 1 11  -13 0  f 34.209  7.7473 61.476   25.552  66.046   37.416  57.482   34.979  35.362  10.173 33.180  9.9166 2.181717       14.20696  
1 1 1 11  -13 1  o 61.164  1.2488 184.749  7.5393  192.406  9.6641  172.842  12.051  62.406  1.5689 59.126  2.0650 3.280518       2.593406  
1 1 1 11  -13 2  o 54.470  1.3816 146.550  7.4279  148.178  10.352  144.823  10.664  54.751  1.9156 54.124  1.9962 0.6269875      2.766665  
1 1 1 11  -13 3  o 99.389  2.1881 488.575  21.465  491.748  25.360  480.560  40.309  99.669  2.5779 98.291  4.1549 1.378090       4.889634  
1 1 1 11  -13 4  o 50.810  4.0318 129.204  20.054  121.524  45.699  131.035  22.317  47.664  10.031 51.090  4.4706 -3.426502      10.98226  
1 1 1 11  -13 5  o 19.803  7.1523 16.820   17.925  19.193   24.559  14.113   26.222  22.109  8.3033 21.380  8.4322 0.7289848      11.83419  
1 1 1 11  -13 6  o 39.310  7.4017 81.010   27.665  77.799   39.532  84.092   38.729  37.913  10.297 39.429  9.9510 -1.516212      14.31990  
1 1 1 11  -13 7  o 19.323  7.0285 15.893   17.354  12.334   26.366  18.613   23.051  20.957  8.3934 21.517  8.0515 -0.5597496     11.63087  
1 1 1 11  -13 8  f 54.010  6.8493 150.895  35.693  146.086  50.668  155.632  50.289  51.735  10.285 53.630  9.8637 -1.895641      14.25013  
1 1 1 11  -13 9  o 44.017  7.1962 101.734  30.184  98.063   42.672  105.411  42.701  42.069  10.348 43.728  10.097 -1.658798      14.45817  
1 1 1 11  -13 10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -13 11 o 75.668  6.5984 295.135  48.789  300.794  69.053  289.494  68.942  74.702  9.5865 73.137  9.7964 1.565025       13.70655  
1 1 1 11  -13 12 o 66.459  6.6553 228.962  43.070  246.219  60.910  211.703  60.912  67.411  9.4109 61.881  10.337 5.529789       13.97939  
1 1 1 11  -12 0  o 105.892 6.4252 563.521  66.839  572.468  94.916  554.720  94.137  105.757 9.1840 104.062 9.2618 1.694733       13.04329  
1 1 1 11  -12 1  o 190.952 7.0366 1831.41  132.624 1936.89  187.912 1726.72  187.207 194.556 9.8170 183.280 10.391 11.27589       14.29512  
1 1 1 11  -12 2  o 45.292  7.0610 105.373  30.537  102.684  42.522  108.239  43.882  43.996  10.017 45.171  10.096 -1.174919      14.22193  
1 1 1 11  -12 3  o 66.801  6.5021 225.682  42.328  230.886  59.610  220.388  60.115  66.761  9.2987 65.083  9.6504 1.677963       13.40135  
1 1 1 11  -12 4  o 23.324  7.4977 26.821   19.588  28.299   27.971  25.399   27.441  25.191  8.9528 24.380  8.8427 0.8109169      12.58360  
1 1 1 11  -12 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -12 6  o 74.897  7.4389 286.161  54.265  292.757  66.934  273.512  92.690  75.126  9.2201 70.565  13.802 4.561066       16.59866  
1 1 1 11  -12 7  o 65.747  6.5360 219.781  41.853  225.553  59.788  214.233  58.608  65.582  9.5138 63.856  9.5956 1.726791       13.51252  
1 1 1 11  -12 8  o 128.767 6.5964 839.833  83.557  824.426  118.285 855.179  118.052 125.799 9.5986 128.280 9.3887 -2.480797      13.42689  
1 1 1 11  -12 9  o 68.188  1.9361 230.003  13.031  238.434  19.282  222.915  17.679  69.336  2.8174 67.058  2.6710 2.277763       3.882242  
1 1 1 11  -12 10 o 20.289  5.1305 21.485   10.281  21.868   11.240  19.519   25.438  20.479  5.4606 22.262  8.4307 -1.783495      10.04460  
1 1 1 11  -12 11 o 61.868  6.7294 197.482  40.431  207.549  58.043  187.994  56.350  62.015  9.8087 58.836  10.065 3.178947       14.05400  
1 1 1 11  -12 12 o 44.592  13.249 115.131  62.573  115.131  62.573  0.0000   0.0000  44.592  13.249 ?       ?      0.000000       13.24886  
1 1 1 11  -12 13 o 36.888  7.5886 72.755   26.708  66.620   37.194  79.286   38.377  34.756  10.185 37.776  10.098 -3.019810      14.34249  
1 1 1 11  -11 0  o 84.221  6.4217 356.565  52.981  346.318  75.092  366.722  74.762  82.138  9.4334 84.664  9.0886 -2.526138      13.09927  
1 1 1 11  -11 1  f 69.309  1.3461 237.207  9.2090  243.221  13.028  231.200  13.019  70.163  1.8812 68.405  1.9282 1.757782       2.693863  
1 1 1 11  -11 2  o 199.180 3.7730 1966.68  74.176  1984.41  77.016  1739.49  275.694 200.046 3.9005 180.424 15.636 19.62131       16.11473  
1 1 1 11  -11 3  o 103.350 1.6899 527.616  17.239  543.617  24.171  511.052  24.593  104.862 2.3353 101.664 2.4508 3.198303       3.385242  
1 1 1 11  -11 4  o 10.508  4.1040 3.2720   6.1594  4.8928   8.4488  1.4334   8.9985  12.453  4.8224 11.514  4.7901 0.9387951      6.797130  
1 1 1 11  -11 5  o 205.310 2.8507 2085.96  57.768  2083.80  81.866  2088.11  81.528  204.921 4.0475 205.139 4.0265 -0.2174988     5.709187  
1 1 1 11  -11 6  o 95.982  1.5662 455.050  14.838  465.583  21.278  445.080  20.702  97.044  2.2214 94.884  2.2104 2.160034       3.133822  
1 1 1 11  -11 7  o 77.182  1.5513 294.258  11.818  302.923  16.890  285.949  16.541  78.274  2.1862 76.049  2.2036 2.225677       3.104052  
1 1 1 11  -11 8  o 38.259  0.9810 72.267   3.7045  79.955   4.7602  60.461   5.8988  40.238  1.1985 34.980  1.7085 5.258392       2.086971  
1 1 1 11  -11 9  o 54.097  1.2855 144.544  6.8643  134.068  9.4896  156.040  9.9413  52.078  1.8461 56.186  1.7926 -4.108227      2.573224  
1 1 1 11  -11 10 o 95.001  1.5975 446.033  14.980  445.571  21.298  446.486  21.073  94.883  2.2741 94.983  2.2477 -0.1005173     3.197462  
1 1 1 11  -11 11 f 104.869 1.9620 544.083  20.308  519.630  35.697  555.784  24.694  102.203 3.5386 105.933 2.3617 -3.729012      4.254354  
1 1 1 11  -11 12 o 30.372  7.5585 49.162   22.569  43.202   31.906  55.131   31.929  29.042  9.5849 32.060  9.4486 -3.018024      13.45901  
1 1 1 11  -11 13 o 52.080  1.3552 134.044  6.9666  140.893  8.8977  123.194  11.199  53.374  1.6889 49.866  2.2754 3.508209       2.833717  
1 1 1 11  -11 14 o 94.036  1.6693 437.390  15.494  454.509  22.451  421.821  21.410  95.749  2.3755 92.246  2.3515 3.503059       3.342553  
1 1 1 11  -10 0  o 107.542 1.7204 571.241  18.261  571.142  26.015  571.337  25.639  107.486 2.4521 107.507 2.4162 -0.2099609E-01 3.442530  
1 1 1 11  -10 1  o 91.015  1.5746 409.107  14.146  404.996  19.554  413.619  20.489  90.528  2.1884 91.482  2.2691 -0.9540253     3.152418  
1 1 1 11  -10 2  o 187.843 2.6613 1744.84  49.343  1763.30  69.611  1726.19  69.954  188.652 3.7384 186.645 3.7972 2.007263       5.328619  
1 1 1 11  -10 3  o 40.880  2.5270 82.939   10.146  78.487   10.454  155.297  42.144  39.749  2.6801 55.063  7.9874 -15.31337      8.425084  
1 1 1 11  -10 4  o 33.942  2.0462 57.132   6.8232  60.016   9.3798  53.891   9.9437  34.726  2.7593 32.855  3.1031 1.871124       4.152455  
1 1 1 11  -10 5  o 149.262 2.1862 1101.04  32.208  1124.14  43.225  1072.21  48.294  150.739 2.9052 147.160 3.3248 3.578415       4.415276  
1 1 1 11  -10 6  o 132.958 2.1384 873.638  28.063  867.616  39.689  879.658  39.685  132.407 3.0368 133.325 3.0157 -0.9182281     4.279813  
1 1 1 11  -10 7  o 29.324  0.8927 42.447   2.5838  36.348   4.3237  45.835   3.2225  27.079  1.6252 30.470  1.0715 -3.390673      1.946612  
1 1 1 11  -10 8  o 69.022  1.4819 235.286  10.096  248.339  14.639  223.447  13.941  70.884  2.0924 67.238  2.1007 3.646606       2.964958  
1 1 1 11  -10 9  o 159.770 2.3759 1262.44  37.468  1288.72  51.457  1232.79  54.665  161.279 3.2325 157.685 3.5122 3.593918       4.773315  
1 1 1 11  -10 10 o 56.302  1.2426 156.547  6.9055  152.102  9.9587  160.663  9.5838  55.476  1.8187 57.021  1.7028 -1.544926      2.491441  
1 1 1 11  -10 11 o 60.578  1.2699 181.254  7.5933  203.407  10.645  158.301  10.835  64.154  1.6810 56.583  1.9401 7.571770       2.567043  
1 1 1 11  -10 12 o 13.337  3.8066 9.0665   5.2583  14.291   9.0348  6.3904   6.4663  16.805  5.0438 12.151  4.3061 4.654464       6.631933  
1 1 1 11  -10 13 o 56.146  1.7592 155.895  9.7492  154.638  9.9241  190.646  52.163  55.916  1.7981 59.959  9.1000 -4.042389      9.275920  
1 1 1 11  -10 14 o 87.642  1.6106 379.775  13.933  382.053  19.761  377.522  19.647  87.823  2.2796 87.300  2.2801 0.5223465      3.224230  
1 1 1 11  -10 15 o 87.194  1.5633 375.910  13.454  389.647  19.256  362.805  18.807  88.692  2.1996 85.578  2.2265 3.113342       3.129805  
1 1 1 11  -9  0  o 60.078  1.3588 178.212  8.0573  182.637  11.261  173.570  11.534  60.806  1.8763 59.274  1.9713 1.531422       2.721515  
1 1 1 11  -9  1  o 59.019  1.5275 172.005  8.8983  174.936  12.670  169.152  12.500  59.501  2.1573 58.509  2.1645 0.9921913      3.055952  
1 1 1 11  -9  2  o 158.072 2.4522 1235.04  38.260  1270.87  53.897  1198.64  54.321  160.233 3.4078 155.595 3.5370 4.637863       4.911582  
1 1 1 11  -9  3  o 60.212  1.3395 179.008  7.9610  179.520  12.040  178.611  10.612  60.280  2.0236 60.135  1.7878 0.1459198      2.700252  
1 1 1 11  -9  4  o 104.127 1.8860 535.588  19.384  526.963  23.728  552.895  33.610  103.260 2.3280 105.703 3.2214 -2.442627      3.974581  
1 1 1 11  -9  5  o 41.813  1.2447 86.320   5.1369  83.218   6.4883  91.531   8.4089  41.050  1.6013 43.044  1.9792 -1.993961      2.545910  
1 1 1 11  -9  6  o 105.460 1.7166 549.310  17.868  517.514  25.646  579.304  24.909  102.314 2.5395 108.265 2.3309 -5.950516      3.447111  
1 1 1 11  -9  7  o 73.273  1.3985 265.110  10.115  279.671  15.257  253.693  13.510  75.235  2.0546 71.661  1.9100 3.573677       2.805262  
1 1 1 11  -9  8  o 109.892 1.6866 596.478  18.294  603.698  25.876  589.264  25.867  110.511 2.3722 109.180 2.4003 1.331223       3.374787  
1 1 1 11  -9  9  o 132.243 1.9288 864.062  25.177  871.625  34.857  855.811  36.404  132.751 2.6602 131.526 2.8042 1.225708       3.865234  
1 1 1 11  -9  10 o 51.729  1.1818 132.124  6.0341  137.045  7.4785  122.943  10.215  52.678  1.4383 49.875  2.0749 2.802830       2.524690  
1 1 1 11  -9  11 o 94.395  1.5986 440.189  14.895  428.872  20.438  453.008  21.752  93.130  2.2233 95.708  2.3026 -2.577942      3.200795  
1 1 1 11  -9  12 o 28.250  1.9262 39.635   5.3388  33.020   7.4311  46.692   7.6753  25.642  2.9924 30.606  2.5644 -4.964136      3.940861  
1 1 1 11  -9  13 o 56.694  1.2651 158.766  7.0796  162.927  9.8501  154.320  10.182  57.410  1.7383 55.867  1.8466 1.542854       2.536017  
1 1 1 11  -9  14 o 150.676 2.8311 1126.12  42.105  1126.83  44.178  1119.13  139.089 150.685 2.9703 146.040 9.7043 4.644608       10.14875  
1 1 1 11  -9  15 o 30.949  1.3358 47.329   4.0806  44.304   8.6270  48.201   4.6315  29.726  2.9805 31.228  1.5026 -1.501976      3.337806  
1 1 1 11  -9  16 o 59.290  1.3738 173.726  8.0399  179.180  10.658  166.525  12.247  60.184  1.7942 57.991  2.1395 2.193119       2.792301  
1 1 1 11  -8  0  o 20.956  1.0301 21.679   2.1307  17.845   3.0167  25.496   3.0099  18.940  1.6296 22.684  1.3504 -3.744314      2.116385  
1 1 1 11  -8  1  o 161.073 2.0734 1281.72  32.964  1261.10  46.514  1302.53  46.723  159.687 2.9511 162.293 2.9167 -2.605621      4.149227  
1 1 1 11  -8  2  o 209.468 2.6410 2169.01  54.602  2206.73  77.228  2131.31  77.211  211.111 3.7062 207.461 3.7706 3.650391       5.287092  
1 1 1 11  -8  3  o 130.335 1.8663 839.045  24.009  847.717  31.828  827.596  36.571  130.966 2.4621 129.370 2.8640 1.596649       3.776829  
1 1 1 11  -8  4  o 136.917 2.0307 926.075  27.443  893.804  40.276  954.039  37.493  134.428 3.0355 138.913 2.7345 -4.484634      4.085486  
1 1 1 11  -8  5  o 57.839  1.4330 165.180  8.1809  169.532  11.412  160.579  11.734  58.583  1.9736 57.012  2.0852 1.570942       2.871067  
1 1 1 11  -8  6  o 156.167 2.2410 1205.07  34.543  1202.28  48.463  1207.95  49.249  155.893 3.1495 156.255 3.1932 -0.3614502     4.485132  
1 1 1 11  -8  7  o 185.959 2.6895 1709.69  49.365  1659.88  66.810  1769.59  73.261  183.083 3.6971 188.997 3.9272 -5.913040      5.393651  
1 1 1 11  -8  8  o 134.353 2.0480 891.791  27.159  931.849  38.243  851.027  38.578  137.271 2.8225 131.167 2.9797 6.103287       4.104320  
1 1 1 11  -8  9  o 128.140 2.0475 811.259  25.897  801.970  35.351  822.019  38.045  127.340 2.8125 128.904 2.9902 -1.564102      4.105068  
1 1 1 11  -8  10 o 205.835 3.0160 2096.42  61.275  2126.64  90.693  2071.03  83.115  207.000 4.4388 204.355 4.1206 2.644791       6.056607  
1 1 1 11  -8  11 o 19.390  1.5359 18.686   2.9155  31.158   7.8209  16.673   3.1420  24.873  3.2644 18.287  1.7626 6.586651       3.709840  
1 1 1 11  -8  12 o 27.675  2.1073 38.078   5.7129  42.730   8.2471  33.786   7.9214  29.238  2.8958 25.927  3.1608 3.310844       4.286728  
1 1 1 11  -8  13 o 125.846 1.9125 782.835  23.756  813.987  34.136  753.578  33.080  128.225 2.6971 123.373 2.7165 4.852547       3.828059  
1 1 1 11  -8  14 o 72.870  1.3789 262.319  9.9176  268.843  14.840  257.053  13.332  73.727  2.0392 72.105  1.8733 1.622620       2.769063  
1 1 1 11  -8  15 o 174.094 2.4975 1501.47  42.916  1496.88  56.658  1507.64  65.733  173.581 3.3069 174.009 3.8272 -0.4275818     5.057967  
1 1 1 11  -8  16 o 9.4181  3.7265 2.4024   5.1369  0.9127   7.2524  3.9023   7.2770  10.223  4.2808 11.393  4.4578 -1.169486      6.180336  
1 1 1 11  -8  17 o 22.265  2.5167 24.885   5.4337  18.463   7.6891  31.290   7.6797  18.857  4.2348 24.889  3.2003 -6.031950      5.308002  
1 1 1 11  -7  0  o 74.719  1.2750 275.632  9.4033  287.441  13.222  263.546  13.376  76.291  1.7558 73.048  1.8552 3.242882       2.554361  
1 1 1 11  -7  1  o 114.706 1.6569 649.749  18.760  676.553  26.649  623.416  26.413  117.015 2.3073 112.321 2.3825 4.693535       3.316582  
1 1 1 11  -7  2  o 140.568 1.9551 975.991  27.127  979.655  38.290  972.299  38.437  140.773 2.7557 140.241 2.7767 0.5312958      3.912044  
1 1 1 11  -7  3  o 72.756  1.3725 261.348  9.8562  265.156  13.631  257.177  14.268  73.270  1.8848 72.156  2.0034 1.114578       2.750677  
1 1 1 11  -7  4  f 48.797  1.4191 117.567  6.8351  117.151  9.3096  118.053  10.067  48.701  1.9367 48.885  2.0865 -0.1837120     2.846752  
1 1 1 11  -7  5  o 104.474 2.2761 539.292  23.471  473.932  89.269  544.146  24.327  96.588  9.4860 104.939 2.3487 -8.351395      9.772457  
1 1 1 11  -7  6  o 199.200 2.7628 1961.71  54.322  1940.96  76.897  1982.39  76.748  197.967 3.9353 200.078 3.8863 -2.110458      5.530850  
1 1 1 11  -7  7  o 225.612 3.0696 2517.49  68.357  2408.67  96.380  2627.64  96.965  220.424 4.4299 230.263 4.2664 -9.838654      6.150295  
1 1 1 11  -7  8  o 123.910 1.9115 758.378  23.379  730.331  32.567  788.199  33.581  121.544 2.7147 126.269 2.6944 -4.725105      3.824819  
1 1 1 11  -7  9  f 84.887  1.4725 355.805  12.338  371.412  17.213  339.316  17.693  86.709  2.0112 82.871  2.1630 3.837555       2.953573  
1 1 1 11  -7  10 o 179.766 2.6273 1597.65  46.617  1573.49  63.149  1626.59  69.106  178.267 3.5889 181.203 3.8639 -2.935867      5.273506  
1 1 1 11  -7  11 o 216.563 3.1184 2320.69  66.658  2288.52  110.374 2339.16  83.632  214.550 5.2120 217.262 3.8999 -2.711777      6.509544  
1 1 1 11  -7  12 o 74.540  1.4111 274.375  10.382  278.436  14.727  270.363  14.638  75.068  1.9876 73.971  2.0049 1.097084       2.823161  
1 1 1 11  -7  13 o 59.765  1.3776 176.397  8.1265  171.084  10.869  183.132  12.237  58.842  1.8714 60.872  2.0367 -2.029713      2.765981  
1 1 1 11  -7  14 o 60.430  1.3202 180.352  7.8748  184.453  12.325  177.522  10.237  61.082  2.0443 59.938  1.7303 1.143833       2.678241  
1 1 1 11  -7  15 o 20.925  1.2697 21.706   2.6100  22.237   2.8612  19.073   6.3690  21.172  1.3766 19.311  3.4689 1.860828       3.732059  
1 1 1 11  -7  16 o 11.838  3.7090 6.9009   4.8195  4.0536   6.8955  9.6203   6.7389  11.255  4.3572 13.961  4.3877 -2.705431      6.183659  
1 1 1 11  -7  17 o 132.341 2.0121 866.607  26.283  869.433  36.406  863.532  37.983  132.398 2.7859 131.917 2.9171 0.4817810      4.033684  
1 1 1 11  -7  18 o 28.349  1.3718 39.714   3.8384  41.825   8.8616  39.226   4.2586  28.841  3.1650 28.127  1.5398 0.7134762      3.519646  
1 1 1 11  -6  0  o 122.917 2.0361 746.289  24.703  771.717  34.938  720.871  34.931  124.942 2.8330 120.749 2.9309 4.193329       4.076303  
1 1 1 11  -6  1  o 90.290  1.5829 402.540  14.107  401.709  19.945  403.373  19.955  90.173  2.2409 90.360  2.2374 -0.1867065     3.166641  
1 1 1 11  -6  2  o 134.197 1.8731 889.423  24.810  858.017  34.870  921.624  35.309  131.757 2.6813 136.558 2.6196 -4.801025      3.748555  
1 1 1 11  -6  3  o 54.945  1.3378 149.044  7.2552  143.818  9.8861  155.143  10.681  53.964  1.8561 56.046  1.9307 -2.082664      2.678186  
1 1 1 11  -6  4  o 178.683 2.6258 1577.95  46.311  1498.07  68.475  1645.29  62.870  173.938 3.9885 182.355 3.4929 -8.417023      5.301740  
1 1 1 11  -6  5  o 47.543  1.1371 111.582  5.3359  101.592  7.5701  121.445  7.5224  45.357  1.6909 49.594  1.5367 -4.236782      2.284881  
1 1 1 11  -6  6  o 48.379  1.3592 115.553  6.4905  102.771  41.896  115.868  6.5698  44.342  9.8305 48.444  1.3740 -4.101978      9.926007  
1 1 1 11  -6  7  o 176.954 2.3620 1547.21  41.255  1522.61  58.198  1572.05  58.490  175.434 3.3609 178.264 3.3242 -2.829971      4.727178  
1 1 1 11  -6  8  o 109.342 1.6714 590.400  18.038  579.664  25.956  600.429  25.087  108.307 2.4280 110.236 2.3056 -1.929756      3.348260  
1 1 1 11  -6  9  o 156.659 2.5889 1213.02  40.031  1232.38  48.746  1172.91  70.155  157.850 3.1287 153.795 4.6215 4.054855       5.580942  
1 1 1 11  -6  10 o 174.287 2.4891 1501.27  42.819  1489.30  56.012  1518.09  66.419  173.501 3.2707 175.087 3.8433 -1.586914      5.046640  
1 1 1 11  -6  11 o 141.446 2.0498 988.388  28.618  969.248  41.860  1005.18  39.213  139.985 3.0296 142.581 2.7864 -2.595886      4.116096  
1 1 1 11  -6  12 o 156.475 2.0832 1209.72  32.174  1208.40  45.506  1211.04  45.497  156.301 2.9497 156.472 2.9458 -0.1710815     4.168761  
1 1 1 11  -6  13 o 173.885 2.3113 1494.51  39.669  1458.45  55.977  1530.89  56.224  171.635 3.3042 175.857 3.2391 -4.221588      4.627065  
1 1 1 11  -6  14 o 102.701 1.7389 521.067  17.627  515.697  24.110  527.235  25.837  102.123 2.3918 103.247 2.5353 -1.123840      3.485463  
1 1 1 11  -6  15 o 82.560  1.4761 336.690  12.028  332.382  17.354  340.674  16.688  81.990  2.1444 83.014  2.0366 -1.024155      2.957381  
1 1 1 11  -6  16 o 28.269  1.5240 39.599   4.2366  39.599   29.882  39.599   4.2798  28.184  9.2747 28.268  1.5397 -0.8391571E-01 9.401654  
1 1 1 11  -6  17 o 11.208  1.2786 6.2865   1.3892  6.5687   1.4237  0.6678   6.3520  11.460  1.2805 9.5314  3.9994 1.928832       4.199430  
1 1 1 11  -6  18 o 69.521  1.5108 238.875  10.367  247.051  14.777  230.949  14.549  70.652  2.1190 68.307  2.1579 2.344818       3.024333  
1 1 1 11  -6  19 o 78.433  1.5755 304.129  12.197  305.191  17.710  303.170  16.821  78.494  2.2859 78.247  2.1780 0.2472305      3.157398  
1 1 1 11  -5  0  o 113.226 1.7331 633.075  19.369  635.059  27.162  631.023  27.629  113.371 2.4273 113.008 2.4769 0.3635712      3.468032  
1 1 1 11  -5  1  o 23.822  0.9630 28.012   2.2643  27.336   3.1755  28.711   3.2297  23.491  1.3756 24.077  1.3646 -0.5862045     1.937623  
1 1 1 11  -5  2  o 64.455  1.1996 205.085  7.6320  198.292  10.787  211.895  10.800  63.369  1.7246 65.508  1.6703 -2.138672      2.400838  
1 1 1 11  -5  3  o 37.748  1.1139 70.338   4.1501  77.228   5.8336  63.277   5.9053  39.550  1.4944 35.798  1.6713 3.751923       2.241968  
1 1 1 11  -5  4  o 144.077 1.9958 1025.25  28.382  1007.35  38.700  1046.09  41.749  142.764 2.7464 145.471 2.9076 -2.706696      3.999587  
1 1 1 11  -5  5  o 197.775 2.7426 1933.25  53.538  1889.37  75.498  1977.63  75.931  195.368 3.9152 199.889 3.8485 -4.521271      5.489987  
1 1 1 11  -5  6  o 156.488 2.0753 1209.59  32.055  1182.53  45.164  1237.07  45.503  154.658 2.9586 158.189 2.9143 -3.530594      4.152849  
1 1 1 11  -5  7  o 38.526  6.6722 75.981   24.453  73.378   34.435  78.628   34.731  37.503  9.3383 38.821  9.2039 -1.318127      13.11170  
1 1 1 11  -5  8  o 212.805 2.6192 2238.11  55.016  2138.62  77.564  2338.84  78.047  207.861 3.7805 217.398 3.6372 -9.536469      5.246099  
1 1 1 11  -5  9  o 96.734  1.5616 462.045  14.910  432.302  21.210  491.097  20.963  93.540  2.2973 99.706  2.1300 -6.166100      3.132841  
1 1 1 11  -5  10 o 73.903  1.6815 269.706  12.265  266.634  14.381  277.901  23.492  73.472  1.9830 74.958  3.1752 -1.486374      3.743579  
1 1 1 11  -5  11 o 139.355 1.9981 959.263  27.483  936.444  37.658  985.269  40.201  137.631 2.7721 141.163 2.8853 -3.532227      4.001158  
1 1 1 11  -5  12 o 170.607 2.3000 1438.26  38.731  1471.63  56.965  1409.57  52.818  172.454 3.3466 168.802 3.1701 3.652161       4.609681  
1 1 1 11  -5  13 o 25.936  2.1467 33.465   5.4460  39.328   8.0062  28.415   7.4298  28.046  2.9356 23.743  3.2561 4.303102       4.384033  
1 1 1 11  -5  14 o 126.789 1.8963 794.169  23.731  785.801  33.105  803.014  34.036  126.057 2.6607 127.426 2.7061 -1.368744      3.795055  
1 1 1 11  -5  15 o 71.213  1.4702 250.460  10.334  252.590  14.626  248.337  14.603  71.490  2.0728 70.884  2.0872 0.6051865      2.941613  
1 1 1 11  -5  16 o 143.614 2.0699 1019.68  29.341  980.671  42.537  1055.08  40.525  140.694 3.0631 145.978 2.8126 -5.283936      4.158487  
1 1 1 11  -5  17 o 17.618  1.6867 15.480   2.8972  37.563   23.119  15.128   2.9202  26.957  8.0632 17.410  1.7219 9.547218       8.245025  
1 1 1 11  -5  18 o 37.727  1.6182 70.352   6.0257  76.554   8.6145  64.411   8.4316  39.265  2.2320 35.988  2.3872 3.276627       3.268115  
1 1 1 11  -5  19 o 94.678  1.7224 443.222  16.096  437.789  21.997  449.484  23.617  94.018  2.3704 95.244  2.5121 -1.226730      3.453909  
1 1 1 11  -5  20 o 48.193  1.4269 114.790  6.7875  114.693  11.355  114.844  8.4667  48.109  2.3912 48.185  1.7802 -0.7546997E-01 2.981128  
1 1 1 11  -4  0  o 89.147  1.8514 392.456  16.291  376.261  28.215  400.555  19.953  87.230  3.2770 90.049  2.2448 -2.818863      3.972163  
1 1 1 11  -4  1  o 79.618  2.0570 313.078  16.165  303.190  22.852  322.981  22.870  78.319  2.9562 80.839  2.8663 -2.519547      4.117606  
1 1 1 11  -4  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -4  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -4  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -4  5  o 170.814 3.6014 1443.34  60.720  1400.46  85.853  1486.26  85.888  168.048 5.1759 173.143 5.0257 -5.094574      7.214413  
1 1 1 11  -4  6  o 133.976 2.2169 886.651  29.316  849.172  47.136  910.294  37.438  131.012 3.6451 135.714 2.7948 -4.702118      4.593239  
1 1 1 11  -4  7  o 154.657 2.1583 1181.49  32.947  1210.74  44.697  1146.70  48.756  156.504 2.8935 152.277 3.2438 4.226974       4.346787  
1 1 1 11  -4  8  o 159.672 4.2784 1262.75  67.429  1246.78  75.645  1324.52  148.765 158.581 4.8328 162.190 9.3321 -3.608475      10.50924  
1 1 1 11  -4  9  o 188.865 2.4925 1762.58  46.464  1741.31  65.561  1784.04  65.859  187.604 3.5406 189.895 3.5137 -2.291000      4.988177  
1 1 1 11  -4  10 o 165.379 2.3849 1351.36  38.929  1323.59  55.126  1378.98  54.983  163.571 3.4144 166.967 3.3363 -3.396515      4.773808  
1 1 1 11  -4  11 o 113.955 1.7294 641.276  19.452  664.478  27.688  618.663  27.334  115.963 2.4190 111.891 2.4750 4.072395       3.460858  
1 1 1 11  -4  12 o 95.828  1.4961 453.425  14.151  426.640  19.744  481.718  20.292  92.931  2.1525 98.750  2.0819 -5.819725      2.994584  
1 1 1 11  -4  13 o 55.921  1.2638 154.388  6.9754  146.760  10.754  159.929  9.1651  54.507  1.9988 56.909  1.6317 -2.401768      2.580225  
1 1 1 11  -4  14 o 144.751 2.1215 1035.23  30.310  1032.24  46.205  1037.49  40.159  144.432 3.2411 144.847 2.8089 -0.4146423     4.288908  
1 1 1 11  -4  15 o 181.944 2.4947 1636.63  44.801  1672.70  61.015  1594.42  65.994  183.806 3.3631 179.387 3.7272 4.418289       5.020185  
1 1 1 11  -4  16 o 91.583  1.6006 414.297  14.469  426.497  20.483  402.148  20.441  92.883  2.2342 90.188  2.2962 2.694687       3.203781  
1 1 1 11  -4  17 o 71.443  1.4157 252.105  9.9827  235.639  14.033  268.975  14.204  69.038  2.0594 73.766  1.9508 -4.728615      2.836668  
1 1 1 11  -4  18 o 44.944  6.6456 103.999  28.592  100.349  40.534  107.614  40.336  43.257  9.7294 44.920  9.3994 -1.663288      13.52812  
1 1 1 11  -4  19 o 80.799  1.4913 322.621  11.893  317.808  15.999  328.566  17.781  80.150  2.0224 81.476  2.2110 -1.325920      2.996422  
1 1 1 11  -4  20 o 77.489  1.6315 296.844  12.479  306.571  17.580  286.967  17.716  78.687  2.2635 76.119  2.3579 2.568031       3.268544  
1 1 1 11  -3  0  f 105.999 6.2384 560.073  64.981  563.955  91.695  556.156  92.100  105.838 8.8589 105.073 8.9663 0.7647400      12.60458  
1 1 1 11  -3  1  o 104.381 6.1667 542.916  63.252  521.153  89.388  564.740  89.514  101.706 8.9972 105.987 8.6317 -4.281715      12.46816  
1 1 1 11  -3  2  o 209.695 7.1002 2187.70  146.958 2211.35  207.811 2164.03  207.848 209.989 10.026 207.693 10.139 2.296265       14.25914  
1 1 1 11  -3  3  o 205.299 7.0273 2096.45  142.399 2154.97  201.476 2038.05  201.289 207.365 9.8436 201.318 10.163 6.047409       14.14838  
1 1 1 11  -3  4  o 100.226 6.1584 500.620  60.628  503.105  85.536  498.111  85.948  99.983  8.7556 99.462  8.8472 0.5217438      12.44722  
1 1 1 11  -3  5  o 58.622  6.1802 172.521  35.221  164.533  49.878  180.466  49.741  56.641  9.2403 59.491  8.7306 -2.849979      12.71248  
1 1 1 11  -3  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -3  7  f 119.710 6.2894 714.123  74.054  680.837  104.559 747.625  104.897 116.240 9.1881 121.948 8.7734 -5.707611      12.70411  
1 1 1 11  -3  8  o 82.338  6.0867 338.679  49.116  343.855  69.543  333.527  69.379  82.464  8.6740 81.174  8.8002 1.290070       12.35644  
1 1 1 11  -3  9  o 88.951  1.9511 390.769  17.130  388.214  17.583  438.439  75.957  88.658  2.0093 93.281  8.3375 -4.623589      8.576237  
1 1 1 11  -3  10 o 90.119  1.4113 400.962  12.553  417.564  17.536  383.510  17.979  91.950  1.9321 88.116  2.0672 3.833778       2.829558  
1 1 1 11  -3  11 o 146.102 2.0041 1054.30  28.900  1018.04  39.101  1097.96  42.905  143.515 2.7603 149.029 2.9168 -5.513794      4.015860  
1 1 1 11  -3  12 o 145.612 2.1518 1047.40  30.927  1049.12  43.536  1045.65  43.942  145.662 3.0281 145.419 3.0615 0.2438812      4.306021  
1 1 1 11  -3  13 o 90.731  1.4822 406.462  13.274  404.989  18.724  407.950  18.820  90.545  2.0951 90.875  2.0982 -0.3302841     2.965067  
1 1 1 11  -3  14 f 46.217  1.4634 105.469  6.6758  110.211  9.5987  101.026  9.2908  47.233  2.0589 45.222  2.0815 2.011368       2.927725  
1 1 1 11  -3  15 o 118.148 1.8948 689.531  22.097  710.179  31.974  670.655  30.572  119.848 2.7029 116.469 2.6594 3.379303       3.791828  
1 1 1 11  -3  16 o 113.685 1.6763 638.362  18.810  602.498  26.280  676.037  26.935  110.397 2.4117 116.947 2.3334 -6.549782      3.355785  
1 1 1 11  -3  17 o 66.921  1.3542 221.163  8.9453  229.976  12.324  211.348  13.005  68.223  1.8301 65.394  2.0149 2.829468       2.721915  
1 1 1 11  -3  18 o 89.624  1.5414 396.835  13.636  380.278  18.640  415.891  19.999  87.691  2.1536 91.701  2.2095 -4.009338      3.085434  
1 1 1 11  -3  19 o 24.730  3.0349 30.780   7.2526  30.667   7.5700  32.052   25.311  24.659  3.1846 25.576  8.5414 -0.9162731     9.115785  
1 1 1 11  -3  20 f 41.109  1.2809 83.485   5.1973  87.076   6.1857  74.864   9.5845  41.976  1.4930 38.793  2.5167 3.183033       2.926207  
1 1 1 11  -3  21 o 44.227  1.8589 96.752   8.1145  87.944   11.221  106.409  11.749  42.024  2.7198 46.261  2.5833 -4.236496      3.751072  
1 1 1 11  -2  0  o 98.863  6.1085 487.050  59.316  496.734  83.945  477.393  83.825  99.371  8.6447 97.366  8.8180 2.005424       12.34859  
1 1 1 11  -2  1  f 88.069  2.6424 383.190  22.970  378.919  24.071  426.673  76.811  87.572  2.7849 92.086  8.5483 -4.514328      8.990463  
1 1 1 11  -2  2  o 319.603 5.8732 5066.91  185.277 5200.08  213.571 4661.85  372.489 323.531 6.6880 303.888 12.418 19.64371       14.10483  
1 1 1 11  -2  3  o 75.551  5.9661 284.904  44.129  281.520  62.369  288.297  62.446  74.642  8.6242 75.567  8.5210 -0.9250259     12.12370  
1 1 1 11  -2  4  o 132.994 6.3254 878.034  83.034  886.736  117.560 869.371  117.296 132.959 9.0112 131.628 9.0838 1.330872       12.79522  
1 1 1 11  -2  5  o 165.539 6.6203 1361.29  108.172 1368.67  153.031 1353.92  152.925 165.177 9.4254 164.268 9.4719 0.9085999      13.36244  
1 1 1 11  -2  6  o 195.033 6.9403 1891.28  133.604 1943.70  189.028 1838.96  188.862 197.016 9.7206 191.293 10.038 5.722763       13.97296  
1 1 1 11  -2  7  o 44.579  6.3304 100.648  27.072  105.193  37.901  95.915   38.682  45.129  8.8250 42.966  9.3839 2.162674       12.88175  
1 1 1 11  -2  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -2  9  o 26.401  6.6080 36.024   17.179  37.575   24.190  34.445   24.401  27.329  8.2646 26.439  8.3545 0.8897057      11.75162  
1 1 1 11  -2  10 o 177.275 6.7845 1564.34  118.713 1529.12  167.806 1599.63  167.966 174.200 9.7993 178.263 9.5813 -4.062714      13.70497  
1 1 1 11  -2  11 f 110.709 1.7612 605.240  19.245  594.101  26.375  617.925  28.145  109.655 2.4369 111.826 2.5499 -2.170868      3.527088  
1 1 1 11  -2  12 o 122.152 1.7854 736.848  21.526  718.328  29.148  759.066  31.926  120.573 2.4492 123.935 2.6098 -3.361755      3.579073  
1 1 1 11  -2  13 o 158.108 2.3534 1235.11  36.727  1270.30  48.009  1185.46  57.026  160.284 3.0346 154.764 3.7331 5.519928       4.810894  
1 1 1 11  -2  14 o 233.707 2.9012 2700.45  66.924  2726.01  94.610  2674.86  94.678  234.600 4.0858 232.380 4.1278 2.220123       5.807954  
1 1 1 11  -2  15 o 139.474 2.0219 960.954  27.834  978.518  40.645  945.443  38.195  140.669 2.9274 138.284 2.7984 2.385910       4.049734  
1 1 1 11  -2  16 o 66.401  1.3223 217.698  8.6662  224.909  13.082  212.059  11.568  67.474  1.9643 65.523  1.7887 1.950394       2.656722  
1 1 1 11  -2  17 o 30.951  1.8603 47.498   5.6568  51.474   7.8702  43.249   8.1362  32.168  2.4983 29.432  2.8358 2.736702       3.779319  
1 1 1 11  -2  18 o 78.995  1.5392 308.241  12.001  301.736  16.357  315.825  17.662  78.126  2.1212 79.922  2.2389 -1.795525      3.084172  
1 1 1 11  -2  19 o 198.264 2.7036 1946.60  52.907  1904.33  71.896  1996.53  78.137  195.801 3.7201 200.402 3.9502 -4.601212      5.426203  
1 1 1 11  -2  20 o 81.820  1.5465 330.829  12.490  341.637  17.671  320.040  17.655  83.093  2.1545 80.417  2.2243 2.676208       3.096718  
1 1 1 11  -2  21 o 31.469  1.1303 48.912   3.5110  54.403   4.8912  43.074   5.0428  33.179  1.4936 29.465  1.7417 3.714432       2.294376  
1 1 1 11  -2  22 o 92.020  1.6827 418.720  15.284  423.486  21.910  414.202  21.330  92.449  2.4011 91.435  2.3635 1.013321       3.369145  
1 1 1 11  -1  0  o 139.014 2.0870 954.349  28.636  952.577  42.260  955.853  38.938  138.830 3.0840 139.084 2.8364 -0.2540131     4.189958  
1 1 1 11  -1  1  o 121.687 1.6692 731.080  20.049  736.954  28.485  725.312  28.224  122.150 2.3626 121.182 2.3597 0.9685745      3.339145  
1 1 1 11  -1  2  f 273.573 3.9917 3701.74  107.787 3626.33  147.587 3787.94  157.792 270.499 5.5278 276.406 5.7837 -5.906464      8.000447  
1 1 1 11  -1  3  o 41.167  1.4477 83.660   5.8823  74.532   7.9812  94.515   8.7032  38.794  2.0921 43.750  2.0154 -4.956352      2.904963  
1 1 1 11  -1  4  o 174.458 2.2483 1503.07  38.716  1500.24  52.664  1506.41  57.110  174.242 3.0622 174.581 3.3142 -0.3388672     4.512309  
1 1 1 11  -1  5  o 106.148 1.6598 556.276  17.390  568.771  24.639  543.873  24.548  107.314 2.3262 104.937 2.3700 2.376587       3.320854  
1 1 1 11  -1  6  o 65.665  1.6647 212.886  10.790  212.985  15.486  212.792  15.042  65.667  2.3893 65.639  2.3217 0.2830505E-01  3.331519  
1 1 1 11  -1  7  o 122.330 6.2690 744.776  75.441  722.221  106.606 767.402  106.773 119.907 9.0747 123.683 8.8036 -3.776146      12.64335  
1 1 1 11  -1  8  o 164.076 6.6132 1337.80  107.100 1327.15  151.454 1348.45  151.471 162.569 9.4798 163.895 9.4026 -1.326477      13.35202  
1 1 1 11  -1  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  -1  10 f 133.821 6.3616 890.193  84.028  887.680  118.896 892.700  118.771 132.831 9.1239 133.218 9.0869 -0.3872681     12.87696  
1 1 1 11  -1  11 o 98.555  3.0542 480.189  29.710  578.411  89.308  467.965  31.505  107.216 8.5091 97.279  3.2811 9.936432       9.119752  
1 1 1 11  -1  12 o 77.008  1.3723 292.775  10.431  277.853  14.176  310.389  15.402  75.007  1.9148 79.276  1.9684 -4.268440      2.746118  
1 1 1 11  -1  13 o 116.986 1.8146 675.857  20.953  640.058  29.294  713.356  29.981  113.806 2.6078 120.150 2.5281 -6.344643      3.632064  
1 1 1 11  -1  14 o 175.852 2.4662 1528.08  42.807  1508.61  60.485  1547.62  60.592  174.616 3.5094 176.864 3.4709 -2.248184      4.935897  
1 1 1 11  -1  15 o 125.255 1.8104 774.824  22.382  773.808  30.797  775.961  32.585  125.132 2.4935 125.296 2.6348 -0.1640549     3.627631  
1 1 1 11  -1  16 o 69.715  1.2742 239.951  8.7681  254.778  12.030  223.148  12.807  71.826  1.6968 67.213  1.9304 4.613052       2.570156  
1 1 1 11  -1  17 o 96.109  1.6113 456.176  15.285  424.249  21.074  491.616  22.203  92.651  2.3045 99.739  2.2554 -7.088158      3.224487  
1 1 1 11  -1  18 o 64.019  1.3765 202.388  8.6977  177.510  12.047  229.472  12.570  59.933  2.0365 68.150  1.8687 -8.216988      2.763954  
1 1 1 11  -1  19 o 63.128  1.4408 196.841  8.9776  181.144  11.603  220.252  14.170  60.538  1.9419 66.743  2.1510 -6.204414      2.897908  
1 1 1 11  -1  20 o 52.871  1.3842 138.089  7.2234  137.376  8.9674  139.406  12.190  52.720  1.7233 53.075  2.3269 -0.3552818     2.895568  
1 1 1 11  -1  21 o 88.863  1.5984 390.302  14.020  393.774  19.229  386.363  20.484  89.200  2.1841 88.337  2.3493 0.8628540      3.207712  
1 1 1 11  -1  22 o 143.890 2.6549 1026.40  37.706  1018.81  70.508  1029.44  44.622  142.540 5.0115 143.974 3.1400 -1.433823      5.913951  
1 1 1 11  0   0  o 206.727 3.1841 2112.25  64.970  2161.00  69.094  1740.07  190.921 209.082 3.3480 186.005 10.441 23.07701       10.96497  
1 1 1 11  0   1  o 151.190 2.0699 1128.77  30.889  1116.09  43.438  1141.74  43.934  150.293 2.9282 152.011 2.9282 -1.717590      4.141044  
1 1 1 11  0   2  o 147.411 2.1049 1073.04  30.627  1070.52  43.409  1075.55  43.217  147.194 2.9879 147.540 2.9676 -0.3466034     4.211195  
1 1 1 11  0   3  o 85.496  1.3202 360.823  11.141  349.374  15.761  372.256  15.750  84.119  1.8983 86.831  1.8376 -2.712143      2.642020  
1 1 1 11  0   4  o 95.411  1.8538 449.455  17.458  438.590  21.643  469.696  29.539  94.239  2.3267 97.499  3.0695 -3.260109      3.851705  
1 1 1 11  0   5  o 146.363 2.2236 1057.88  32.123  1064.94  45.431  1050.83  45.428  146.805 3.1353 145.827 3.1561 0.9772797      4.448708  
1 1 1 11  0   6  o 162.048 2.2268 1296.80  35.617  1289.99  50.108  1303.76  50.636  161.570 3.1421 162.429 3.1584 -0.8587189     4.455121  
1 1 1 11  0   7  o 44.284  1.1086 96.799   4.8458  100.991  6.5599  91.764   7.1893  45.230  1.4694 43.112  1.6895 2.117599       2.239086  
1 1 1 11  0   8  o 280.615 5.5865 3903.98  154.733 3877.51  176.973 3989.89  318.821 279.459 6.4159 281.630 11.469 -2.171234      13.14181  
1 1 1 11  0   9  o 108.678 7.1761 590.102  76.543  583.511  93.679  603.341  132.768 107.715 8.8906 108.540 12.629 -0.8250427     15.44441  
1 1 1 11  0   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  0   11 o 155.811 6.5487 1207.34  100.713 1202.13  142.395 1212.55  142.464 154.587 9.3766 155.269 9.3393 -0.6822815     13.23415  
1 1 1 11  0   12 o 75.713  1.3606 283.005  10.168  279.914  14.252  286.209  14.510  75.286  1.9179 76.127  1.9310 -0.8415298     2.721643  
1 1 1 11  0   13 o 162.101 2.3625 1298.20  37.800  1310.65  53.328  1285.64  53.587  162.790 3.3189 161.225 3.3674 1.565643       4.728080  
1 1 1 11  0   14 o 119.363 1.8058 703.606  21.275  691.689  29.153  717.183  31.118  118.313 2.4964 120.466 2.6170 -2.153130      3.616758  
1 1 1 11  0   15 o 83.293  1.5043 342.554  12.367  332.332  17.305  353.225  17.681  82.021  2.1375 84.561  2.1184 -2.539642      3.009435  
1 1 1 11  0   16 o 260.416 3.3274 3355.19  85.526  3236.32  125.538 3458.15  116.836 255.369 4.9805 264.115 4.4818 -8.746063      6.700142  
1 1 1 11  0   17 o 153.532 2.3847 1164.96  36.138  1115.60  60.443  1192.43  45.083  150.041 4.0813 155.274 2.9415 -5.233337      5.030913  
1 1 1 11  0   18 o 56.092  1.2669 155.346  7.0141  164.918  9.5837  144.305  10.293  57.784  1.6803 54.045  1.9295 3.738720       2.558634  
1 1 1 11  0   19 o 144.332 2.1427 1029.76  30.526  1006.70  42.740  1053.77  43.613  142.591 3.0368 145.887 3.0288 -3.296402      4.288991  
1 1 1 11  0   20 o 90.118  1.5839 401.251  14.089  376.752  19.342  428.940  20.563  87.275  2.2454 93.124  2.2371 -5.849495      3.169621  
1 1 1 11  0   21 o 130.629 2.5864 845.228  33.348  711.407  114.990 857.516  34.846  116.485 10.101 131.557 2.6835 -15.07208      10.45171  
1 1 1 11  0   22 o 41.208  1.9467 83.998   7.9179  77.704   11.466  89.734   10.947  39.465  2.9653 42.472  2.6241 -3.007191      3.959708  
1 1 1 11  0   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  1   0  o 31.685  1.5405 49.564   4.8178  48.234   6.6459  51.037   6.9942  31.176  2.1733 32.070  2.2233 -0.8934860     3.109077  
1 1 1 11  1   1  o 158.842 2.8958 1246.59  45.401  1245.39  56.979  1248.68  75.137  158.713 3.6372 158.818 4.7932 -0.1052704     6.016939  
1 1 1 11  1   2  o 68.075  1.2361 228.752  8.3056  229.414  11.906  228.124  11.592  68.167  1.7695 67.975  1.7278 0.1912766      2.473118  
1 1 1 11  1   3  o 140.883 2.0706 980.048  28.793  958.594  38.669  1006.74  43.136  139.301 2.8124 142.745 3.0616 -3.442993      4.157240  
1 1 1 11  1   4  o 153.756 2.1141 1167.35  32.084  1149.74  45.197  1185.23  45.552  152.551 3.0017 154.889 2.9796 -2.338364      4.229426  
1 1 1 11  1   5  o 120.494 2.2563 716.965  26.835  711.297  31.790  731.015  50.050  120.002 2.6839 121.579 4.1707 -1.577789      4.959651  
1 1 1 11  1   6  o 124.826 1.9334 769.335  23.821  723.468  33.173  818.165  34.227  121.019 2.7771 128.699 2.6944 -7.680374      3.869375  
1 1 1 11  1   7  o 122.477 1.8081 740.623  21.858  733.207  30.862  748.087  30.961  121.837 2.5663 123.067 2.5488 -1.230804      3.617003  
1 1 1 11  1   8  o 149.147 2.1628 1098.53  31.840  1058.12  45.103  1138.68  44.955  146.328 3.1228 151.803 3.0003 -5.475739      4.330526  
1 1 1 11  1   9  o 83.727  6.0528 349.616  49.684  362.480  70.234  336.731  70.294  84.840  8.5014 81.668  8.8626 3.172867       12.28092  
1 1 1 11  1   10 o 160.852 6.5831 1285.71  104.518 1279.92  147.823 1291.49  147.799 159.650 9.4226 160.386 9.3770 -0.7360992     13.29337  
1 1 1 11  1   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  1   12 o 168.505 6.6631 1412.60  110.821 1433.29  156.891 1392.00  156.559 168.800 9.4545 166.302 9.5783 2.498001       13.45850  
1 1 1 11  1   13 o 154.069 2.5673 1172.94  39.041  1182.82  47.423  1152.17  68.772  154.672 3.1063 152.493 4.5691 2.178802       5.525017  
1 1 1 11  1   14 o 150.700 2.3095 1121.98  34.354  1133.79  46.833  1108.22  50.545  151.424 3.1335 149.679 3.4213 1.744812       4.639365  
1 1 1 11  1   15 o 217.050 3.1973 2329.86  68.498  2261.92  85.733  2449.80  113.903 213.725 4.0641 222.188 5.1938 -8.462509      6.594823  
1 1 1 11  1   16 o 56.808  1.3196 159.324  7.3989  146.829  8.9512  186.276  13.147  54.529  1.6631 61.405  2.1691 -6.876892      2.733265  
1 1 1 11  1   17 o 210.709 2.6942 2194.86  56.033  2072.07  78.890  2319.86  79.600  204.539 3.9076 216.459 3.7257 -11.91972      5.399068  
1 1 1 11  1   18 o 96.462  1.6301 459.537  15.521  437.476  21.935  481.657  21.964  94.082  2.3621 98.725  2.2540 -4.642967      3.264965  
1 1 1 11  1   19 o 168.857 2.2691 1409.43  37.819  1373.66  53.242  1445.86  53.729  166.560 3.2386 170.891 3.1853 -4.330597      4.542548  
1 1 1 11  1   20 o 33.222  2.0587 54.771   6.7176  51.956   8.8711  58.555   10.285  32.274  2.8129 34.245  3.0757 -1.970291      4.167996  
1 1 1 11  1   21 o 92.564  1.7911 423.526  16.364  428.274  26.692  420.666  20.713  92.959  2.9091 92.205  2.2759 0.7540207      3.693595  
1 1 1 11  1   22 o 79.769  6.3466 323.344  49.556  317.166  69.958  329.566  70.209  77.744  9.3013 79.351  9.1306 -1.606033      13.03393  
1 1 1 11  1   23 o 30.294  7.3434 48.654   21.730  65.242   30.905  32.435   30.559  34.826  8.9439 26.364  9.3592 8.461428       12.94557  
1 1 1 11  2   0  f 165.126 2.1155 1346.53  34.480  1297.13  48.548  1396.81  48.978  162.013 3.0359 168.128 2.9514 -6.115646      4.234087  
1 1 1 11  2   1  o 165.589 2.7962 1354.65  45.702  1299.54  74.345  1388.12  57.943  162.035 4.6484 167.572 3.5032 -5.537170      5.820683  
1 1 1 11  2   2  o 163.150 2.2265 1314.47  35.855  1265.21  50.347  1365.16  51.074  160.011 3.1878 166.217 3.1131 -6.205322      4.455694  
1 1 1 11  2   3  o 227.712 2.7319 2561.31  61.403  2588.73  86.813  2533.86  86.859  228.827 3.8437 226.384 3.8872 2.442612       5.466640  
1 1 1 11  2   4  o 286.902 3.6806 4068.72  104.228 4054.42  147.249 4083.07  147.553 286.170 5.2131 287.181 5.2055 -1.010803      7.367026  
1 1 1 11  2   5  o 97.429  1.2973 468.561  12.476  471.423  17.360  465.502  17.942  97.717  1.7998 97.100  1.8721 0.6170731      2.596946  
1 1 1 11  2   6  o 125.280 2.0479 774.964  25.324  795.125  31.504  738.153  42.570  126.883 2.5155 122.209 3.5291 4.674210       4.333915  
1 1 1 11  2   7  o 131.756 1.8692 857.093  24.308  824.699  34.124  890.465  34.635  129.213 2.6756 134.269 2.6134 -5.055954      3.740150  
1 1 1 11  2   8  o 84.750  1.3509 354.556  11.300  352.883  15.911  356.258  16.053  84.540  1.9067 84.943  1.9146 -0.4031372     2.702136  
1 1 1 11  2   9  o 44.178  1.0498 96.336   4.5779  103.438  6.3233  88.513   6.6364  45.775  1.3995 42.342  1.5879 3.432529       2.116614  
1 1 1 11  2   10 o 197.555 6.9690 1940.26  135.891 1991.91  192.253 1888.69  192.106 199.467 9.7649 193.894 10.073 5.573181       14.02893  
1 1 1 11  2   11 o 128.039 6.2836 814.326  79.411  823.841  112.406 804.845  112.204 128.062 8.9490 126.547 9.0426 1.515129       12.72214  
1 1 1 11  2   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  2   13 o 39.271  6.3131 78.564   23.642  74.458   33.277  82.748   33.595  37.813  9.0387 39.906  8.7685 -2.092747      12.59303  
1 1 1 11  2   14 o 101.950 1.7375 513.253  17.484  534.212  24.345  490.931  25.125  103.985 2.3720 99.675  2.5538 4.309944       3.485436  
1 1 1 11  2   15 o 128.278 1.8536 812.654  23.469  820.465  33.224  804.874  33.156  128.849 2.6124 127.617 2.6322 1.231438       3.708527  
1 1 1 11  2   16 o 56.973  1.3569 160.252  7.6303  167.592  9.6497  148.006  12.464  58.257  1.6782 54.732  2.3072 3.524349       2.852982  
1 1 1 11  2   17 o 46.962  1.4432 108.894  6.6898  102.805  8.0700  122.273  11.961  45.624  1.7920 49.742  2.4363 -4.117592      3.024369  
1 1 1 11  2   18 o 147.253 2.1848 1071.38  31.755  1058.67  44.440  1084.65  45.392  146.291 3.0777 148.072 3.1058 -1.781021      4.372432  
1 1 1 11  2   19 o 78.165  1.5752 301.745  12.153  287.452  16.736  317.690  17.677  76.264  2.2234 80.175  2.2337 -3.910522      3.151649  
1 1 1 11  2   20 o 155.157 2.2281 1190.18  34.122  1195.67  50.178  1185.46  46.539  155.356 3.2723 154.730 3.0472 0.6257782      4.471428  
1 1 1 11  2   21 f 66.536  1.6933 218.763  11.120  230.280  17.150  210.408  14.607  68.209  2.5473 65.219  2.2691 2.989960       3.411387  
1 1 1 11  2   22 o 42.414  2.3281 89.314   9.7091  94.455   13.361  83.562   14.133  43.519  3.1315 40.856  3.5395 2.662685       4.725972  
1 1 1 11  2   23 o 95.784  6.4023 466.229  60.181  486.978  86.108  446.416  84.143  96.489  9.1508 92.224  9.3738 4.264206       13.09985  
1 1 1 11  2   24 o 73.764  1.9859 269.266  14.459  247.902  20.455  290.603  20.442  70.662  2.9327 76.541  2.7058 -5.878151      3.990280  
1 1 1 11  3   0  o 198.461 2.4344 1945.51  47.688  1902.60  67.320  1988.74  67.562  196.170 3.4768 200.568 3.4128 -4.398056      4.871840  
1 1 1 11  3   1  o 244.290 3.1026 2949.09  74.811  2902.30  113.402 2985.16  99.545  242.129 4.7450 245.656 4.1054 -3.527588      6.274534  
1 1 1 11  3   2  o 164.710 2.9957 1340.44  48.703  1297.75  147.465 1345.66  51.599  161.003 9.3193 165.020 3.1679 -4.016556      9.842960  
1 1 1 11  3   3  o 107.978 1.6270 575.594  17.341  559.645  23.086  596.239  26.267  106.458 2.1971 109.876 2.4220 -3.418465      3.270047  
1 1 1 11  3   4  o 93.902  1.3286 435.250  12.314  436.931  17.470  433.591  17.360  94.073  1.8815 93.713  1.8768 0.3601990      2.657471  
1 1 1 11  3   5  o 79.727  1.4253 313.772  11.216  287.680  15.845  339.977  15.880  76.330  2.1031 82.981  1.9388 -6.651611      2.860446  
1 1 1 11  3   6  o 186.186 2.4311 1711.95  44.676  1679.99  63.299  1743.68  63.065  184.374 3.4783 187.841 3.4014 -3.467850      4.864999  
1 1 1 11  3   7  o 118.715 1.8827 695.819  22.061  661.697  31.419  728.999  30.983  115.740 2.7503 121.490 2.5837 -5.749931      3.773562  
1 1 1 11  3   8  o 168.439 2.8607 1401.63  47.560  1368.87  67.259  1434.39  67.261  166.369 4.0959 170.312 4.0011 -3.943008      5.725829  
1 1 1 11  3   9  o 107.686 1.6837 572.520  17.896  581.904  24.293  561.382  26.465  108.549 2.2674 106.609 2.5150 1.939781       3.386189  
1 1 1 11  3   10 o 301.170 8.3516 4521.95  248.266 4475.00  351.096 4568.89  351.105 298.043 11.935 301.217 11.809 -3.174438      16.78984  
1 1 1 11  3   11 o 33.903  6.1833 58.827   19.929  66.313   28.095  51.246   28.273  35.769  8.1407 31.566  8.7636 4.203331       11.96124  
1 1 1 11  3   12 o 92.847  6.0922 429.954  55.521  450.310  78.547  409.628  78.490  94.568  8.5059 90.063  8.9480 4.505745       12.34574  
1 1 1 11  3   13 o 180.320 2.6075 1606.68  46.409  1578.31  62.749  1640.94  68.954  178.625 3.5591 182.100 3.8363 -3.475220      5.232993  
1 1 1 11  3   14 o 173.237 3.2558 1484.10  55.671  1492.96  59.331  1418.90  160.982 173.731 3.4600 167.771 9.7636 5.960190       10.35858  
1 1 1 11  3   15 o 35.787  1.8639 63.422   6.5611  60.974   9.1267  66.039   9.4387  35.024  2.6599 36.460  2.6407 -1.435631      3.748088  
1 1 1 11  3   16 o 63.064  1.3326 196.346  8.2949  204.952  11.394  186.642  12.099  64.421  1.7919 61.471  1.9941 2.949787       2.680943  
1 1 1 11  3   17 o 106.845 1.7370 563.772  18.318  542.717  25.565  585.989  26.261  104.796 2.4716 108.895 2.4433 -4.099297      3.475358  
1 1 1 11  3   18 f 178.949 2.6535 1583.04  46.869  1579.40  69.156  1586.14  63.741  178.565 3.9237 178.996 3.6078 -0.4313965     5.330284  
1 1 1 11  3   19 o 106.152 1.7119 556.554  17.937  526.463  24.732  589.945  26.053  103.201 2.4280 109.247 2.4161 -6.045959      3.425295  
1 1 1 11  3   20 o 150.561 2.4775 1120.98  36.818  1119.83  62.382  1121.59  45.609  150.202 4.2077 150.522 3.0699 -0.3206177     5.208564  
1 1 1 11  3   21 o 52.598  1.9241 136.744  9.9891  116.557  14.603  154.498  13.694  48.408  3.0721 55.881  2.4829 -7.472805      3.949990  
1 1 1 11  3   22 o 30.834  7.0593 49.974   21.021  66.161   30.414  35.168   29.087  35.243  8.7765 26.941  9.1556 8.302132       12.68269  
1 1 1 11  3   23 o 68.575  6.2346 239.387  41.738  242.425  59.103  236.363  58.950  67.908  9.0426 66.991  9.1550 0.9167633      12.86785  
1 1 1 11  3   24 o 40.260  1.5464 80.120   6.1449  83.688   6.9199  66.816   13.363  41.139  1.7042 36.433  3.7706 4.706509       4.137783  
1 1 1 11  4   0  o 60.662  1.0584 181.639  6.3370  179.857  9.0246  183.372  8.9004  60.358  1.5148 60.946  1.4796 -0.5874481     2.117501  
1 1 1 11  4   1  f 197.253 2.7944 1922.35  54.405  1944.61  76.831  1899.96  77.051  198.284 3.9257 195.988 3.9830 2.295792       5.592456  
1 1 1 11  4   2  o 126.412 1.9359 789.036  24.155  756.823  34.158  821.258  34.163  123.771 2.7960 128.938 2.6844 -5.166489      3.875998  
1 1 1 11  4   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  4   4  o 321.025 4.2785 5097.14  135.571 4908.62  191.563 5286.31  191.891 314.663 6.1678 326.595 5.9527 -11.93219      8.571831  
1 1 1 11  4   5  o 103.506 1.5375 528.877  15.708  498.510  21.680  562.438  22.792  100.477 2.1860 106.725 2.1636 -6.248848      3.075675  
1 1 1 11  4   6  o 150.048 2.5658 1111.98  38.000  1144.20  53.742  1079.76  53.740  152.152 3.5785 147.799 3.6838 4.353210       5.135730  
1 1 1 11  4   7  o 329.608 4.5924 5375.07  149.406 5261.85  211.292 5488.29  211.291 325.693 6.5727 332.662 6.4349 -6.969177      9.198290  
1 1 1 11  4   8  o 181.790 2.8609 1632.61  51.334  1648.07  72.599  1617.16  72.595  182.558 4.0290 180.834 4.0672 1.723541       5.724919  
1 1 1 11  4   9  o 178.088 2.5929 1566.61  45.578  1579.04  67.744  1556.32  61.605  178.699 3.8407 177.437 3.5176 1.262512       5.208112  
1 1 1 11  4   10 o 219.494 5.0865 2386.44  110.198 2417.54  127.802 2296.27  217.579 220.786 5.8645 214.091 10.296 6.695267       11.84942  
1 1 1 11  4   11 o 126.091 6.2507 789.392  77.794  808.061  110.063 770.755  109.970 126.895 8.8427 123.867 9.0575 3.028587       12.65831  
1 1 1 11  4   12 o 96.773  6.0985 466.879  57.954  463.995  81.983  469.761  81.935  95.963  8.7517 96.575  8.6885 -0.6126251     12.33219  
1 1 1 11  4   13 o 36.649  1.1527 66.302   4.1698  69.393   5.9652  63.348   5.8310  37.489  1.6121 35.819  1.6493 1.670467       2.306293  
1 1 1 11  4   14 o 53.869  1.2838 143.258  6.8262  132.993  9.7587  153.093  9.5522  51.894  1.9052 55.680  1.7381 -3.786793      2.578900  
1 1 1 11  4   15 o 35.234  2.0923 61.536   7.2439  67.258   9.2886  52.653   11.573  36.803  2.5732 32.412  3.6827 4.390198       4.492649  
1 1 1 11  4   16 o 178.558 2.5208 1575.55  44.427  1545.48  62.535  1606.18  63.127  176.727 3.5850 180.169 3.5498 -3.441574      5.045092  
1 1 1 11  4   17 o 170.914 2.3339 1443.35  39.373  1452.99  55.694  1433.73  55.669  171.383 3.2924 170.241 3.3129 1.142395       4.670678  
1 1 1 11  4   18 o 234.666 3.3834 2725.00  78.367  2672.91  105.911 2788.03  116.499 232.144 4.6222 236.996 4.9802 -4.851730      6.794674  
1 1 1 11  4   19 o 32.457  0.9827 52.003   3.1483  51.020   4.3694  53.065   4.5403  32.145  1.3771 32.783  1.4032 -0.6376305     1.966063  
1 1 1 11  4   20 f 111.986 1.8277 619.543  20.202  593.409  28.777  644.939  28.368  109.536 2.6617 114.206 2.5165 -4.669914      3.663012  
1 1 1 11  4   21 o 74.247  1.6369 272.338  11.996  275.192  16.967  269.486  16.963  74.598  2.3043 73.819  2.3282 0.7789993      3.275667  
1 1 1 11  4   22 o 107.803 6.3269 586.521  67.026  582.084  94.553  591.004  95.028  106.150 9.1128 106.979 9.0855 -0.8296051     12.86813  
1 1 1 11  4   23 o 101.227 6.4519 520.079  64.128  474.395  89.700  567.839  91.716  95.025  9.6996 104.472 8.9816 -9.447021      13.21937  
1 1 1 11  4   24 o 52.783  1.9695 137.844  10.261  172.101  67.830  137.042  10.380  55.274  12.700 52.627  1.9983 2.646732       12.85599  
1 1 1 11  4   25 o 34.224  3.2889 58.793   10.973  57.748   17.375  59.487   14.153  33.436  5.4526 34.230  4.2827 -0.7940979     6.933462  
1 1 1 11  5   0  o 166.013 2.1971 1361.20  36.002  1345.51  53.115  1374.54  48.965  164.976 3.2619 166.770 2.9747 -1.793762      4.414564  
1 1 1 11  5   1  o 42.056  1.1187 87.304   4.6436  85.682   6.3889  89.120   6.7611  41.660  1.5537 42.486  1.6122 -0.8268929     2.239066  
1 1 1 11  5   2  o 100.377 1.5196 497.403  15.055  456.775  20.853  541.635  21.759  96.173  2.1968 104.729 2.1049 -8.556198      3.042459  
1 1 1 11  5   3  o 236.631 3.5122 2767.89  82.032  2718.99  115.873 2817.03  116.149 234.335 5.0097 238.535 4.9332 -4.199310      7.030897  
1 1 1 11  5   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  5   5  o 55.267  1.2846 150.775  7.0074  145.009  9.5989  157.353  10.254  54.195  1.7944 56.454  1.8401 -2.259018      2.570204  
1 1 1 11  5   6  o 126.137 1.9777 785.587  24.623  777.095  35.036  793.876  34.612  125.423 2.8301 126.773 2.7661 -1.349686      3.957399  
1 1 1 11  5   7  o 107.590 1.7156 571.479  18.219  556.953  26.081  585.322  25.460  106.193 2.4883 108.868 2.3693 -2.674706      3.435889  
1 1 1 11  5   8  o 183.631 2.2360 1665.20  40.527  1635.00  57.272  1695.48  57.355  181.899 3.1899 185.237 3.1370 -3.337692      4.473941  
1 1 1 11  5   9  o 252.027 3.1406 3138.82  78.126  3096.94  110.477 3180.71  110.496 250.172 4.4741 253.542 4.4153 -3.369904      6.285880  
1 1 1 11  5   10 o 201.374 4.8388 2007.96  96.179  1928.30  136.018 2087.61  136.016 196.983 6.9958 205.013 6.7216 -8.030365      9.701605  
1 1 1 11  5   11 o 127.839 6.2460 811.388  78.812  787.377  111.439 835.414  111.476 125.202 9.0794 129.049 8.8042 -3.847328      12.64712  
1 1 1 11  5   12 o 185.150 6.8288 1704.99  124.796 1712.29  176.536 1697.69  176.439 184.570 9.7247 183.766 9.7624 0.8034363      13.77945  
1 1 1 11  5   13 o 159.757 2.1125 1260.59  33.311  1225.70  47.016  1295.75  47.201  157.464 3.0250 161.908 2.9536 -4.443634      4.227839  
1 1 1 11  5   14 o 57.854  1.4925 165.253  8.5226  165.988  11.870  164.472  12.244  57.971  2.0746 57.704  2.1497 0.2670021      2.987480  
1 1 1 11  5   15 o 176.292 2.9084 1536.37  50.607  1499.64  88.371  1554.29  61.732  173.860 5.1496 177.247 3.5286 -3.386536      6.242544  
1 1 1 11  5   16 f 64.924  1.4924 208.123  9.5640  208.435  13.317  207.790  13.744  64.959  2.0770 64.856  2.1470 0.1025848      2.987227  
1 1 1 11  5   17 o 289.984 3.6725 4162.18  105.117 4147.65  154.685 4174.65  143.285 288.979 5.4231 290.055 5.0048 -1.075775      7.379579  
1 1 1 11  5   18 o 155.262 2.5149 1191.43  38.541  1209.50  48.519  1160.52  63.448  156.371 3.1435 153.035 4.2005 3.336105       5.246506  
1 1 1 11  5   19 o 43.293  1.5645 92.558   6.6855  81.473   13.167  96.409   7.7601  40.438  3.3285 44.181  1.7795 -3.742756      3.774317  
1 1 1 11  5   20 o 76.019  1.5999 285.412  12.004  272.923  17.348  296.885  16.628  74.304  2.3654 77.507  2.1735 -3.203117      3.212409  
1 1 1 11  5   21 o 120.213 1.9340 714.148  22.947  709.433  32.785  718.677  32.129  119.731 2.7742 120.517 2.7010 -0.7861786     3.871885  
1 1 1 11  5   22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  5   23 o 88.849  2.2961 390.756  20.136  343.395  107.116 392.491  20.502  78.053  14.436 89.041  2.3328 -10.98871      14.62281  
1 1 1 11  5   24 o 92.389  1.8908 422.239  17.243  394.772  25.387  445.760  23.493  89.196  2.8836 94.844  2.5095 -5.647545      3.822713  
1 1 1 11  5   25 o 50.337  6.5820 130.908  31.919  124.480  45.044  137.392  45.237  47.824  9.8697 50.491  9.4237 -2.667412      13.64618  
1 1 1 11  6   0  o 216.780 2.8901 2322.47  61.840  2339.44  87.375  2305.45  87.534  217.420 4.0715 215.829 4.1090 1.590790       5.784540  
1 1 1 11  6   1  o 304.856 3.7379 4596.81  112.475 4576.06  153.094 4621.15  165.792 303.877 5.1042 305.268 5.5023 -1.391785      7.505244  
1 1 1 11  6   2  o 127.508 1.6917 802.719  21.291  789.110  29.909  816.700  30.315  126.396 2.3974 128.587 2.3885 -2.191017      3.384160  
1 1 1 11  6   3  o 176.407 2.3878 1537.03  41.576  1550.75  58.811  1523.32  58.783  177.123 3.3639 175.547 3.3925 1.575989       4.777599  
1 1 1 11  6   4  o 91.723  1.4988 415.329  13.569  402.794  19.850  426.325  18.591  90.312  2.2268 92.918  2.0271 -2.605721      3.011307  
1 1 1 11  6   5  o 98.717  2.2869 481.263  22.283  481.263  22.283  0.0000   0.0000  98.717  2.2869 ?       ?      0.000000       2.286910  
1 1 1 11  6   6  o 157.565 2.2838 1226.06  35.518  1268.97  48.086  1174.54  52.691  160.258 3.0399 154.154 3.4630 6.104828       4.607951  
1 1 1 11  6   7  o 224.467 3.3554 2490.15  74.341  2501.81  105.230 2478.53  105.039 224.833 4.7418 223.782 4.7554 1.050568       6.715601  
1 1 1 11  6   8  o 31.463  1.3183 48.865   4.0939  42.917   8.7873  50.513   4.6266  29.310  3.0837 31.988  1.4653 -2.678677      3.414178  
1 1 1 11  6   9  o 125.524 2.2283 778.123  27.608  773.010  33.374  789.207  49.135  125.091 2.7031 126.324 3.9407 -1.233185      4.778645  
1 1 1 11  6   10 o 299.017 5.7717 4433.90  170.346 4391.81  195.799 4564.95  345.498 297.355 6.6712 301.205 11.621 -3.849548      13.39987  
1 1 1 11  6   11 o 238.284 7.4548 2826.40  175.333 2767.54  247.946 2885.26  247.971 234.725 10.702 239.752 10.479 -5.026993      14.97783  
1 1 1 11  6   12 o 91.640  6.0532 418.786  54.443  415.258  77.025  422.309  76.964  90.752  8.7058 91.544  8.6192 -0.7928391     12.25076  
1 1 1 11  6   13 o 86.028  1.4073 365.373  11.950  367.988  16.662  362.602  17.148  86.321  1.9556 85.684  2.0276 0.6362991      2.816947  
1 1 1 11  6   14 o 94.622  1.7182 442.113  16.047  449.374  22.533  434.642  22.859  95.370  2.3937 93.791  2.4692 1.579620       3.439006  
1 1 1 11  6   15 o 35.311  2.0330 61.789   7.0558  61.458   9.6361  62.172   10.360  35.150  2.8007 35.335  2.9987 -0.1848679     4.103199  
1 1 1 11  6   16 o 203.708 3.4752 2053.13  69.874  2065.01  200.922 2051.49  74.526  202.422 10.056 203.591 3.7087 -1.168579      10.71832  
1 1 1 11  6   17 o 104.692 1.7640 541.289  18.229  544.084  26.183  538.660  25.394  104.925 2.5282 104.404 2.4642 0.5206451      3.530449  
1 1 1 11  6   18 f 86.071  1.4439 365.782  12.266  380.957  17.293  350.413  17.403  87.818  1.9950 84.220  2.0934 3.598000       2.891809  
1 1 1 11  6   19 o 173.298 2.5765 1484.63  44.072  1566.15  65.446  1416.99  59.616  177.829 3.7286 169.174 3.5702 8.655563       5.162257  
1 1 1 11  6   20 o 190.554 2.5470 1795.32  47.905  1886.57  68.352  1707.22  67.160  195.166 3.5482 185.636 3.6654 9.530624       5.101453  
1 1 1 11  6   21 o 39.206  6.5526 78.957   24.462  90.368   34.643  67.610   34.546  41.515  8.7311 35.828  9.5823 5.686180       12.96353  
1 1 1 11  6   22 o 92.098  6.2760 427.591  56.711  392.681  80.779  461.521  79.637  87.040  9.5600 94.849  8.5999 -7.809296      12.85894  
1 1 1 11  6   23 o 217.453 2.8960 2344.38  62.157  2382.70  88.568  2307.19  87.255  218.720 4.1025 215.224 4.1074 3.495728       5.805289  
1 1 1 11  6   24 f 63.185  2.0915 197.589  13.044  212.963  20.019  186.246  17.195  65.486  3.0971 61.271  2.8433 4.215519       4.204366  
1 1 1 11  6   25 o 62.291  1.7697 191.920  10.880  208.562  20.214  185.132  12.910  64.778  3.1616 61.148  2.1390 3.629738       3.817182  
1 1 1 11  6   26 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  7   0  o 135.844 2.0099 911.364  26.949  930.992  35.018  882.854  42.203  137.268 2.5846 133.630 3.1997 3.637421       4.113143  
1 1 1 11  7   1  f 74.947  1.3278 277.295  9.8224  276.280  14.193  278.229  13.607  74.798  1.9224 75.063  1.8366 -0.2653427     2.658737  
1 1 1 11  7   2  o 58.514  1.0552 169.004  6.0946  175.596  8.2510  161.089  9.0411  59.640  1.4016 57.120  1.6036 2.519493       2.129823  
1 1 1 11  7   3  o 169.257 2.5548 1415.21  42.681  1462.74  60.259  1367.37  60.460  171.996 3.5495 166.282 3.6837 5.713928       5.115572  
1 1 1 11  7   4  o 150.144 2.1809 1113.31  32.321  1101.26  47.883  1123.39  43.805  149.267 3.2500 150.780 2.9434 -1.513062      4.384767  
1 1 1 11  7   5  f 73.097  1.3563 263.762  9.7855  258.711  13.980  268.614  13.702  72.384  1.9567 73.758  1.8821 -1.373795      2.714963  
1 1 1 11  7   6  o 94.389  2.0963 439.952  19.530  439.952  19.530  0.0000   0.0000  94.389  2.0963 ?       ?      0.000000       2.096258  
1 1 1 11  7   7  o 74.252  1.3396 272.163  9.8178  251.116  14.151  291.694  13.632  71.313  2.0105 76.863  1.7969 -5.550262      2.696414  
1 1 1 11  7   8  o 76.762  1.3817 290.877  10.469  286.246  14.649  295.711  14.967  76.139  1.9492 77.387  1.9594 -1.248276      2.763822  
1 1 1 11  7   9  o 92.243  1.5020 420.059  13.675  399.168  19.123  441.921  19.563  89.905  2.1550 94.599  2.0951 -4.693802      3.005576  
1 1 1 11  7   10 o 92.521  5.9980 426.496  54.480  449.419  77.042  403.567  77.051  94.580  8.3380 89.485  8.8390 5.094513       12.15121  
1 1 1 11  7   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  7   12 o 285.714 8.0967 4074.10  228.336 4048.98  322.911 4099.22  322.921 283.203 11.552 284.994 11.480 -1.791534      16.28576  
1 1 1 11  7   13 o 111.000 1.7605 608.415  19.288  630.319  27.531  587.299  27.032  112.950 2.4694 109.025 2.5120 3.924721       3.522514  
1 1 1 11  7   14 o 307.118 3.7282 4667.57  113.016 4737.87  159.907 4597.41  159.749 309.015 5.2427 304.376 5.3174 4.638489       7.467268  
1 1 1 11  7   15 o 122.660 1.9019 743.069  23.026  742.865  33.405  743.253  31.784  122.593 2.7606 122.634 2.6258 -0.4102325E-01 3.809966  
1 1 1 11  7   16 o 127.251 1.8841 799.748  23.665  809.326  33.623  790.345  33.314  127.963 2.6621 126.453 2.6691 1.509933       3.769688  
1 1 1 11  7   17 o 139.016 6.3814 962.360  87.561  916.547  123.748 1008.29  123.912 134.667 9.3682 141.428 8.9223 -6.760193      12.93721  
1 1 1 11  7   18 o 189.670 2.5535 1778.13  47.805  1821.76  68.014  1735.53  67.206  191.839 3.5920 187.237 3.6365 4.601974       5.111379  
1 1 1 11  7   19 o 93.941  1.7831 435.877  16.533  409.347  24.051  459.645  22.765  90.991  2.6780 96.437  2.3916 -5.446098      3.590430  
1 1 1 11  7   20 o 145.870 2.5452 1052.04  36.646  1077.44  60.041  1036.96  46.262  147.400 4.1268 144.739 3.2382 2.661514       5.245635  
1 1 1 11  7   21 o 73.783  6.1961 273.966  44.706  274.876  63.223  273.056  63.226  73.158  8.9416 72.902  8.9762 0.2559814      12.66978  
1 1 1 11  7   22 o 49.676  6.3537 125.743  30.440  122.438  43.367  128.954  42.737  48.155  9.4615 49.566  9.0695 -1.411747      13.10633  
1 1 1 11  7   23 o 66.873  1.8999 221.125  12.540  233.289  14.381  182.519  25.620  68.672  2.1217 60.364  4.3287 8.307777       4.820732  
1 1 1 11  7   24 o 15.925  5.0304 12.557   8.8471  13.376   13.461  11.934   11.739  17.440  6.2094 16.413  5.8034 1.027008       8.499186  
1 1 1 11  7   25 o 45.477  2.6315 102.910  11.762  98.045   17.964  106.560  15.561  44.108  4.1759 46.148  3.4410 -2.039272      5.410994  
1 1 1 11  7   26 o 34.545  1.8193 59.215   6.1815  57.358   6.7469  68.917   15.426  33.975  2.0210 36.849  4.3234 -2.873680      4.772432  
1 1 1 11  8   0  o 137.176 1.8549 929.248  25.116  946.620  34.242  909.021  36.950  138.417 2.5063 135.624 2.7602 2.793167       3.728326  
1 1 1 11  8   1  o 138.422 1.8453 946.181  25.211  946.320  37.088  946.061  34.375  138.383 2.7153 138.377 2.5168 0.6225586E-02  3.702300  
1 1 1 11  8   2  o 139.477 1.8997 960.682  26.154  998.251  35.672  917.017  38.458  142.144 2.5426 136.217 2.8604 5.926315       3.827061  
1 1 1 11  8   3  o 36.802  1.6071 66.871   5.8379  77.717   8.8427  58.491   7.7724  39.601  2.2718 34.334  2.3069 5.267162       3.237679  
1 1 1 11  8   4  o 71.196  1.3194 250.228  9.2720  248.151  12.969  252.399  13.261  70.891  1.8534 71.494  1.8793 -0.6036301     2.639469  
1 1 1 11  8   5  o 81.872  1.3883 330.901  11.219  338.407  15.978  323.602  15.756  82.783  1.9554 80.952  1.9719 1.831474       2.777090  
1 1 1 11  8   6  o 128.314 2.2164 813.140  28.071  794.052  39.697  832.230  39.698  126.751 3.1730 129.766 3.0994 -3.015778      4.435582  
1 1 1 11  8   7  o 70.356  1.3499 244.353  9.3739  241.684  13.129  247.129  13.388  69.961  1.9013 70.745  1.9173 -0.7832794     2.700160  
1 1 1 11  8   8  o 205.981 2.9453 2096.58  59.881  2105.81  80.856  2085.38  89.113  206.326 3.9703 205.268 4.3983 1.057602       5.925280  
1 1 1 11  8   9  o 83.205  1.4799 341.782  12.154  345.774  16.807  337.406  17.596  83.677  2.0349 82.655  2.1568 1.021904       2.965223  
1 1 1 11  8   10 o 70.421  5.9183 247.810  40.756  239.678  57.609  255.958  57.666  68.755  8.6826 71.150  8.3714 -2.394714      12.06096  
1 1 1 11  8   11 o 53.508  6.9226 144.747  35.705  117.820  61.768  158.259  43.755  47.419  12.869 55.742  8.1976 -8.323326      15.25781  
1 1 1 11  8   12 o 110.181 2.1927 599.642  23.846  600.538  33.159  598.682  34.319  110.220 3.0479 110.043 3.1597 0.1772690      4.390133  
1 1 1 11  8   13 o 68.831  1.4912 233.913  10.131  236.355  13.960  231.196  14.727  69.177  2.0445 68.414  2.1809 0.7628632      2.989317  
1 1 1 11  8   14 o 206.319 3.0330 2104.65  61.766  2104.88  83.656  2104.39  91.582  206.172 4.1109 206.079 4.5024 0.9315491E-01  6.096786  
1 1 1 11  8   15 o 119.589 1.7691 706.271  20.883  717.119  29.613  695.542  29.452  120.466 2.4905 118.638 2.5151 1.827728       3.539559  
1 1 1 11  8   16 o 115.715 1.9177 661.353  21.903  688.192  31.169  635.169  30.786  117.995 2.6762 113.354 2.7516 4.641724       3.838434  
1 1 1 11  8   17 o 186.345 2.5134 1716.17  46.229  1746.68  68.232  1690.28  62.854  187.840 3.6802 184.818 3.4455 3.022354       5.041355  
1 1 1 11  8   18 o 60.929  1.8570 183.362  11.168  183.451  11.463  181.710  49.481  60.942  1.9057 59.558  8.6717 1.384495       8.878615  
1 1 1 11  8   19 o 156.012 2.2311 1202.75  34.356  1165.08  48.801  1239.77  48.375  153.442 3.2222 158.301 3.0960 -4.858139      4.468533  
1 1 1 11  8   20 f 38.604  1.2971 73.583   4.9424  74.572   7.0663  72.636   6.9154  38.853  1.8426 38.346  1.8271 0.5072708      2.594893  
1 1 1 11  8   21 o 121.079 7.3967 739.287  87.973  730.301  152.234 743.792  107.794 117.583 13.354 120.791 9.1083 -3.207428      16.16430  
1 1 1 11  8   22 o 64.101  2.0271 203.130  12.825  199.490  19.414  205.948  17.084  63.453  3.0998 64.504  2.6834 -1.050869      4.099902  
1 1 1 11  8   23 o 34.765  2.9405 60.337   9.9954  60.877   15.343  59.939   13.174  34.638  4.6017 34.492  3.9404 0.1459732      6.058258  
1 1 1 11  8   24 o 16.265  1.1055 13.127   1.7643  12.844   2.2304  13.600   2.8837  16.060  1.4217 16.485  1.8016 -0.4258423     2.294999  
1 1 1 11  8   25 o 48.511  2.6146 117.052  12.473  107.511  18.823  124.521  16.655  46.202  4.1725 49.909  3.4011 -3.706608      5.383035  
1 1 1 11  8   26 o 59.003  2.3688 172.593  13.796  183.986  21.270  164.320  18.125  60.643  3.5691 57.375  3.2135 3.268429       4.802660  
1 1 1 11  9   0  o 149.316 2.1982 1101.32  32.397  1107.82  54.500  1097.77  40.288  149.632 3.6901 149.038 2.7387 0.5942535      4.595330  
1 1 1 11  9   1  o 106.881 1.4935 564.006  15.756  547.375  23.115  578.439  21.533  105.267 2.2247 108.222 2.0159 -2.954628      3.002138  
1 1 1 11  9   2  o 125.589 1.8030 778.862  22.351  762.920  31.609  794.802  31.608  124.258 2.5772 126.831 2.5249 -2.572876      3.607896  
1 1 1 11  9   3  o 247.765 2.9602 3034.28  72.393  3061.72  102.422 3006.88  102.335 248.693 4.1725 246.449 4.2069 2.243622       5.925193  
1 1 1 11  9   4  o 167.894 2.1508 1392.25  35.643  1357.33  49.627  1429.45  51.224  165.710 3.0341 170.054 3.0518 -4.343491      4.303419  
1 1 1 11  9   5  o 227.447 3.3953 2557.94  76.224  2538.72  107.594 2577.32  108.002 226.372 4.8154 228.090 4.7973 -1.717728      6.797198  
1 1 1 11  9   6  o 60.080  1.3180 178.188  7.8156  168.051  10.887  188.971  11.227  58.337  1.8907 61.862  1.8387 -3.525539      2.637321  
1 1 1 11  9   7  o 113.666 2.3885 638.208  26.797  0.0000   0.0000  638.208  26.797  ?       ?      113.666 2.3885 0.000000       2.388517  
1 1 1 11  9   8  o 73.522  1.3845 266.849  10.047  264.552  14.464  268.992  13.967  73.192  2.0021 73.806  1.9173 -0.6136093     2.772110  
1 1 1 11  9   9  o 110.407 1.6813 601.858  18.322  611.760  25.964  592.037  25.858  111.286 2.3638 109.476 2.3930 1.809807       3.363606  
1 1 1 11  9   10 o 166.763 6.5674 1382.49  108.100 1364.18  152.852 1400.82  152.902 164.762 9.4382 167.006 9.3128 -2.243607      13.25928  
1 1 1 11  9   11 o 115.638 6.1586 666.226  70.041  642.829  99.018  689.656  99.086  112.991 8.9518 117.137 8.6309 -4.145927      12.43494  
1 1 1 11  9   12 f 135.272 1.9854 903.727  26.509  898.724  37.471  908.740  37.508  134.847 2.8153 135.597 2.8025 -0.7502899     3.972371  
1 1 1 11  9   13 o 107.529 1.7966 570.997  19.068  577.269  28.056  565.612  25.995  108.079 2.6300 106.991 2.4616 1.087822       3.602220  
1 1 1 11  9   14 o 41.235  1.1681 83.938   4.7540  82.204   7.0350  85.395   6.4495  40.800  1.7469 41.587  1.5712 -0.7868538     2.349577  
1 1 1 11  9   15 o 111.911 1.7986 618.515  19.868  614.448  27.818  622.749  28.385  111.505 2.5276 112.253 2.5619 -0.7486115     3.598866  
1 1 1 11  9   16 o 98.419  1.7636 478.373  17.132  443.906  24.382  511.986  24.078  94.769  2.6066 101.788 2.3965 -7.019897      3.540850  
1 1 1 11  9   17 o 38.815  1.3334 74.383   5.1083  69.691   7.0656  79.522   7.3941  37.513  1.9146 40.125  1.8670 -2.611778      2.674182  
1 1 1 11  9   18 o 160.951 2.3039 1280.14  36.601  1309.55  52.232  1251.76  51.303  162.684 3.2528 159.052 3.2679 3.632111       4.610852  
1 1 1 11  9   19 o 44.752  2.0653 98.953   9.1229  96.809   9.3399  143.487  42.567  44.263  2.1378 52.804  8.4524 -8.540314      8.718554  
1 1 1 11  9   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  9   21 o 132.040 6.4109 872.351  83.552  853.493  118.091 891.253  118.230 129.323 9.3137 132.258 9.1123 -2.934555      13.02996  
1 1 1 11  9   22 o 47.766  1.6303 112.723  7.6862  109.283  8.8090  123.696  15.732  47.022  1.8980 49.855  3.2142 -2.833431      3.732714  
1 1 1 11  9   23 o 49.234  2.4384 119.996  11.850  119.145  17.999  120.646  15.743  48.813  3.7648 49.201  3.2601 -0.3879700     4.980192  
1 1 1 11  9   24 o 61.568  2.7240 187.973  16.554  203.641  30.657  181.525  19.667  63.557  4.9254 60.344  3.3146 3.212467       5.936858  
1 1 1 11  9   25 o 48.734  1.5094 117.411  7.2606  107.799  10.348  126.732  10.190  46.649  2.2474 50.597  2.0404 -3.947655      3.035463  
1 1 1 11  9   26 o 48.666  2.6422 117.895  12.645  100.959  18.965  131.449  16.966  44.681  4.3556 51.263  3.3718 -6.581684      5.508242  
1 1 1 11  10  0  o 54.418  1.2432 146.191  6.6775  135.721  9.8597  155.064  9.0759  52.422  1.9055 56.039  1.6408 -3.616440      2.514634  
1 1 1 11  10  1  f 61.948  1.2484 189.448  7.6333  205.351  10.960  174.468  10.637  64.487  1.7219 59.439  1.8131 5.048504       2.500500  
1 1 1 11  10  2  o 157.337 2.1118 1222.73  32.796  1233.83  46.432  1211.68  46.328  157.983 2.9777 156.557 2.9980 1.426453       4.225484  
1 1 1 11  10  3  o 123.455 1.8027 752.633  21.967  761.592  31.114  743.731  31.017  124.150 2.5391 122.684 2.5614 1.465714       3.606616  
1 1 1 11  10  4  o 119.150 1.5787 700.963  18.566  722.819  26.401  679.578  26.115  120.967 2.2112 117.291 2.2558 3.676231       3.158764  
1 1 1 11  10  5  o 131.421 1.9884 852.988  25.793  846.565  38.254  858.342  34.926  130.868 2.9615 131.794 2.6848 -0.9257355     3.997313  
1 1 1 11  10  6  o 186.499 2.6734 1718.72  49.213  1725.59  73.328  1713.09  66.383  186.727 3.9786 186.095 3.6140 0.6320496      5.374968  
1 1 1 11  10  7  o 132.976 1.9967 873.277  26.208  879.276  38.865  868.274  35.491  133.376 2.9522 132.555 2.7126 0.8212128      4.009210  
1 1 1 11  10  8  f 193.833 3.7550 1858.81  71.841  0.0000   0.0000  1858.81  71.841  ?       ?      193.833 3.7550 0.000000       3.754985  
1 1 1 11  10  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  10  10 o 100.572 6.0621 504.322  59.896  525.644  84.712  483.006  84.700  102.197 8.4744 97.845  8.8666 4.352539       12.26505  
1 1 1 11  10  11 o 88.446  2.4236 386.493  21.158  396.160  22.285  298.072  67.396  89.541  2.5214 76.607  9.0907 12.93427       9.433866  
1 1 1 11  10  12 o 76.144  1.4205 286.254  10.676  274.676  15.329  297.160  14.877  74.571  2.0826 77.568  1.9431 -2.996330      2.848324  
1 1 1 11  10  13 o 105.751 1.6835 552.232  17.573  574.563  25.366  531.627  24.367  107.836 2.3832 103.729 2.3799 4.107231       3.368035  
1 1 1 11  10  14 o 81.284  1.6051 326.248  12.877  312.925  18.569  338.593  17.874  79.581  2.3639 82.788  2.1874 -3.206657      3.220708  
1 1 1 11  10  15 o 22.423  0.8792 24.818   1.9459  29.230   2.7835  20.600   2.7214  24.333  1.1589 20.381  1.3606 3.951941       1.787299  
1 1 1 11  10  16 o 87.595  1.7723 378.950  15.323  404.979  22.696  357.147  20.772  90.519  2.5402 85.009  2.4756 5.510338       3.546998  
1 1 1 11  10  17 o 111.938 1.8356 618.885  20.281  598.790  28.912  638.354  28.457  110.056 2.6615 113.643 2.5370 -3.586624      3.676927  
1 1 1 11  10  18 o 74.960  1.8217 277.541  13.478  276.063  19.950  278.781  18.281  74.722  2.7050 75.101  2.4661 -0.3787155     3.660437  
1 1 1 11  10  19 o 67.872  1.8511 227.557  12.401  246.962  18.677  212.256  16.585  70.671  2.6775 65.522  2.5644 5.148338       3.707423  
1 1 1 11  10  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  10  21 o 76.857  2.1202 291.976  16.084  282.724  23.498  300.132  22.063  75.559  3.1507 77.873  2.8704 -2.314102      4.262203  
1 1 1 11  10  22 o 74.211  2.1206 272.310  15.533  261.241  22.865  281.797  21.168  72.600  3.1907 75.436  2.8429 -2.835480      4.273505  
1 1 1 11  10  23 o 103.349 2.0201 528.261  20.607  517.325  29.737  538.366  28.584  102.150 2.9493 104.234 2.7783 -2.083435      4.051844  
1 1 1 11  10  24 o 128.114 2.2900 812.815  28.958  828.314  41.849  798.575  40.113  129.095 3.2843 126.778 3.2056 2.317497       4.589358  
1 1 1 11  10  25 o 34.076  0.8674 57.340   2.9174  64.316   3.6503  45.007   4.8538  36.086  1.0249 30.123  1.6386 5.962313       1.932732  
1 1 1 11  10  26 o 11.831  4.7663 3.2828   8.5572  -0.2486  12.447  6.4483   11.784  12.826  5.4980 14.441  5.6663 -1.614892      7.895265  
1 1 1 11  11  0  o 89.024  1.3401 391.270  11.776  374.551  16.566  408.348  16.743  87.083  1.9272 90.930  1.8655 -3.846230      2.682193  
1 1 1 11  11  1  o 164.696 2.0863 1339.84  33.915  1321.56  48.024  1358.04  47.903  163.493 2.9759 165.739 2.9282 -2.245895      4.175009  
1 1 1 11  11  2  o 224.235 2.7595 2485.28  61.076  2470.73  86.432  2499.79  86.317  223.404 3.9197 224.719 3.8916 -1.314987      5.523420  
1 1 1 11  11  3  f 85.607  1.4238 361.827  12.031  343.111  16.672  382.163  17.378  83.347  2.0265 87.963  2.0016 -4.616135      2.848370  
1 1 1 11  11  4  o 95.607  1.5443 451.323  14.573  473.157  20.743  430.039  20.480  97.871  2.1472 93.302  2.2238 4.568970       3.091265  
1 1 1 11  11  5  o 145.788 1.9155 1049.67  27.564  1041.81  38.969  1057.55  38.993  145.188 2.7193 146.282 2.7006 -1.094147      3.832470  
1 1 1 11  11  6  o 64.386  1.3715 204.664  8.7161  192.320  11.379  222.192  13.559  62.405  1.8473 67.071  2.0481 -4.666462      2.758135  
1 1 1 11  11  7  o 200.136 2.8457 1979.83  56.215  1954.68  83.489  2000.68  76.033  198.670 4.2576 201.060 3.8313 -2.390442      5.727624  
1 1 1 11  11  8  o 29.182  1.3582 42.042   3.9122  42.530   4.4287  40.310   8.3473  29.309  1.5362 28.394  3.0249 0.9148254      3.392672  
1 1 1 11  11  9  o 47.929  8.6356 118.386  39.350  140.023  55.662  96.771   55.636  51.683  11.232 43.121  12.406 8.562637       16.73500  
1 1 1 11  11  10 o 62.582  5.9560 196.368  36.347  217.523  51.425  175.249  51.381  65.481  8.1316 58.428  9.2148 7.053169       12.28962  
1 1 1 11  11  11 o 121.725 1.8325 731.740  22.017  723.168  31.389  740.042  30.889  120.966 2.6289 122.374 2.5573 -1.407730      3.667588  
1 1 1 11  11  12 o 192.199 2.5210 1825.52  47.825  1934.27  68.080  1719.57  67.199  197.721 3.4885 186.402 3.6524 11.31894       5.050667  
1 1 1 11  11  13 o 82.755  1.5966 338.167  13.041  364.872  19.289  315.681  17.700  85.936  2.2740 79.935  2.2433 6.001328       3.194309  
1 1 1 11  11  14 o 162.083 2.3298 1298.10  37.272  1305.60  53.071  1290.80  52.357  162.451 3.3098 161.530 3.2839 0.9206543      4.662485  
1 1 1 11  11  15 o 149.639 2.2796 1106.41  33.670  1103.09  47.670  1109.71  47.563  149.323 3.2343 149.773 3.2174 -0.4495239     4.562053  
1 1 1 11  11  16 o 66.319  1.8799 217.245  12.305  228.149  18.381  208.390  16.565  67.930  2.7415 64.929  2.5848 3.001541       3.767837  
1 1 1 11  11  17 o 64.561  1.4594 205.813  9.2997  212.558  12.324  196.895  14.172  65.598  1.9035 63.122  2.2746 2.475391       2.965987  
1 1 1 11  11  18 o 157.420 2.3018 1224.71  35.765  1207.25  50.919  1241.72  50.247  156.178 3.3031 158.404 3.2137 -2.226044      4.608570  
1 1 1 11  11  19 o 94.485  6.1854 447.233  57.366  420.800  80.837  474.050  81.423  90.838  9.1400 96.627  8.6279 -5.789436      12.56903  
1 1 1 11  11  20 o 132.219 6.3880 873.829  83.367  821.994  117.542 926.300  118.260 126.968 9.4467 135.050 8.9220 -8.081642      12.99398  
1 1 1 11  11  21 o 129.939 2.0667 834.544  26.506  809.598  38.076  858.000  36.922  127.871 3.0168 131.662 2.8411 -3.791214      4.144034  
1 1 1 11  11  22 o 89.114  2.0530 392.641  18.058  393.418  26.640  391.980  24.563  89.106  3.0289 88.969  2.7971 0.1368332      4.122897  
1 1 1 11  11  23 o 24.696  4.9513 31.552   11.649  30.134   19.252  32.372   14.631  24.260  7.3811 24.881  6.0223 -0.6211090     9.526235  
1 1 1 11  11  24 o 176.845 2.7111 1551.12  47.323  1482.76  68.738  1612.71  65.246  172.384 4.0399 179.950 3.6734 -7.565964      5.460279  
1 1 1 11  11  25 o 88.997  1.9034 392.007  16.720  425.344  24.164  361.384  23.160  92.581  2.6443 85.318  2.7502 7.263428       3.815225  
1 1 1 11  11  26 o 100.459 2.2085 500.159  21.899  481.682  32.094  516.257  29.956  98.330  3.3067 101.888 2.9787 -3.557808      4.450552  
1 1 1 11  11  27 o 20.184  6.9802 19.500   16.926  20.699   23.252  18.147   24.687  21.841  8.1035 21.539  8.2696 0.3018360      11.57816  
1 1 1 11  12  0  o 220.773 3.1146 2410.69  67.870  2388.22  100.948 2429.22  91.685  219.446 4.6605 221.424 4.1951 -1.977783      6.270517  
1 1 1 11  12  1  o 171.050 2.3715 1445.70  40.039  1453.93  57.090  1437.73  56.168  171.429 3.3740 170.476 3.3381 0.9532776      4.746183  
1 1 1 11  12  2  o 169.919 2.1879 1426.36  36.694  1399.43  51.829  1453.42  51.959  168.219 3.1215 171.439 3.0705 -3.219955      4.378573  
1 1 1 11  12  3  o 152.113 2.0454 1142.92  30.709  1106.65  43.860  1177.80  43.012  149.607 2.9702 154.355 2.8231 -4.748398      4.097803  
1 1 1 11  12  4  o 27.489  2.3479 37.607   6.3095  37.339   8.6145  37.918   9.2671  27.283  3.2638 27.464  3.4981 -0.1810474     4.784189  
1 1 1 11  12  5  o 107.862 1.6626 574.498  17.701  587.334  24.994  561.584  25.071  109.031 2.3225 106.611 2.3825 2.420029       3.327204  
1 1 1 11  12  6  o 35.122  1.8498 61.089   6.3901  57.170   7.9345  68.322   10.780  33.932  2.3842 37.055  2.9723 -3.122673      3.810392  
1 1 1 11  12  7  o 144.564 2.0500 1032.29  29.251  1006.91  41.079  1058.41  41.662  142.712 2.9162 146.319 2.8847 -3.606750      4.101970  
1 1 1 11  12  8  o 95.773  6.0476 457.886  56.875  474.172  80.451  441.615  80.416  96.943  8.4934 93.449  8.8228 3.494377       12.24662  
1 1 1 11  12  9  o 137.371 6.3255 939.112  85.768  905.122  121.289 973.107  121.299 133.935 9.2311 139.005 8.8874 -5.070374      12.81401  
1 1 1 11  12  10 o 140.831 7.3747 992.737  102.156 1082.35  177.139 948.081  125.044 145.226 12.479 137.050 9.2988 8.175812       15.56248  
1 1 1 11  12  11 o 86.912  1.6418 373.005  14.084  367.904  20.541  377.532  19.349  86.286  2.4118 87.415  2.2425 -1.129166      3.293257  
1 1 1 11  12  12 f 229.833 2.8238 2611.55  64.058  2668.72  90.883  2555.12  90.304  232.135 3.9665 227.128 4.0281 5.006683       5.653208  
1 1 1 11  12  13 o 140.647 2.0986 977.246  29.133  981.831  41.552  972.813  40.858  140.904 2.9877 140.259 2.9513 0.6451263      4.199581  
1 1 1 11  12  14 o 207.212 2.8794 2123.14  58.890  2136.39  80.428  2107.83  86.467  207.684 3.9235 206.227 4.2479 1.457184       5.782578  
1 1 1 11  12  15 o 197.706 2.6335 1932.32  51.391  1944.79  70.347  1918.04  75.259  198.198 3.5959 196.780 3.8747 1.417755       5.286229  
1 1 1 11  12  16 o 71.504  1.8953 252.554  13.376  255.608  19.484  249.831  18.396  71.899  2.7456 71.088  2.6217 0.8111267      3.796268  
1 1 1 11  12  17 o 27.232  0.8576 36.605   2.3051  38.817   3.2634  34.403   3.2564  28.040  1.1791 26.397  1.2498 1.643187       1.718242  
1 1 1 11  12  18 o 81.445  1.8162 327.670  14.601  314.056  16.982  366.253  28.589  79.720  2.1582 86.011  3.3676 -6.290176      3.999817  
1 1 1 11  12  19 o 65.109  6.1973 213.469  39.346  225.354  55.652  201.592  55.635  66.292  8.7167 62.476  9.3060 3.815781       12.75073  
1 1 1 11  12  20 o 152.938 2.2458 1156.28  33.901  1101.15  48.324  1209.71  47.573  149.107 3.2834 156.316 3.0833 -7.209961      4.504200  
1 1 1 11  12  21 o 69.981  6.2353 247.121  42.619  249.092  59.945  245.106  60.605  69.474  8.9498 68.843  9.1453 0.6313705      12.79594  
1 1 1 11  12  22 o 119.920 2.1621 711.246  25.591  706.219  37.086  715.815  35.359  119.352 3.1481 120.188 2.9806 -0.8363037     4.335262  
1 1 1 11  12  23 o 12.504  4.8486 4.9868   8.5490  19.961   11.893  -11.0242 12.298  19.731  5.7527 10.508  4.8892 9.223060       7.549711  
1 1 1 11  12  24 o 55.904  1.5466 154.498  8.5341  155.035  12.203  153.984  11.939  55.952  2.2096 55.765  2.1691 0.1865196      3.096367  
1 1 1 11  12  25 o 45.625  1.7847 103.004  8.0371  99.957   20.438  103.561  8.7414  44.357  4.7415 45.738  1.9363 -1.380512      5.121616  
1 1 1 11  12  26 o 18.346  6.5445 15.109   14.960  18.608   20.444  11.076   21.949  20.731  7.6152 19.232  7.6735 1.498789       10.81078  
1 1 1 11  12  27 o 11.901  5.2971 -4.2220  12.537  4.1837   17.398  -13.3019 18.083  16.028  6.6638 13.012  6.0103 3.016094       8.973836  
1 1 1 11  13  0  f 55.165  9.0254 156.954  47.443  0.0000   0.0000  156.954  47.443  ?       ?      55.165  9.0254 0.000000       9.025351  
1 1 1 11  13  1  o 227.637 3.0858 2563.08  69.332  2673.07  98.527  2455.20  97.581  232.225 4.2985 222.527 4.4427 9.697876       6.181812  
1 1 1 11  13  2  o 144.316 2.0774 1028.87  29.592  945.045  41.610  1114.67  42.094  138.234 3.0496 150.149 2.8403 -11.91483      4.167453  
1 1 1 11  13  3  o 186.072 2.4775 1711.05  45.501  1625.69  62.310  1808.56  66.600  181.251 3.4830 191.166 3.5296 -9.915268      4.958765  
1 1 1 11  13  4  o 137.743 1.9325 937.135  26.274  848.093  36.988  1027.82  37.328  130.971 2.8612 144.204 2.6226 -13.23235      3.881310  
1 1 1 11  13  5  o 128.783 1.8014 819.091  22.898  790.289  32.463  847.607  32.302  126.450 2.6010 130.962 2.4989 -4.512794      3.606930  
1 1 1 11  13  6  o 332.731 3.8183 5481.25  125.399 5360.08  177.425 5602.19  177.258 328.480 5.4723 335.866 5.3470 -7.386353      7.650900  
1 1 1 11  13  7  o 160.363 2.2894 1270.61  36.237  1246.89  51.462  1293.94  51.036  158.762 3.2840 161.740 3.1969 -2.977753      4.583087  
1 1 1 11  13  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  13  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  13  10 o 42.387  2.5364 89.116   10.563  69.295   19.777  97.028   12.495  36.932  5.6011 44.205  2.8794 -7.273449      6.297862  
1 1 1 11  13  11 o 87.749  2.1486 380.409  18.609  379.555  19.223  393.141  74.232  87.647  2.2220 88.094  8.6486 -0.4469986     8.929518  
1 1 1 11  13  12 o 46.451  1.1590 106.521  5.3137  101.220  8.6498  109.735  6.7342  45.268  1.9359 47.143  1.4472 -1.874687      2.417073  
1 1 1 11  13  13 o 126.872 2.0563 795.207  25.751  794.876  35.501  795.574  37.408  126.787 2.8368 126.829 2.9882 -0.4213715E-01 4.120327  
1 1 1 11  13  14 o 101.162 2.0369 505.580  20.338  508.278  25.448  500.810  33.836  101.402 2.5426 100.590 3.4080 0.8122940      4.251942  
1 1 1 11  13  15 o 185.211 2.5236 1695.71  46.134  1698.40  65.406  1693.05  65.083  185.204 3.5779 184.915 3.5658 0.2897491      5.051417  
1 1 1 11  13  16 o 39.761  1.2625 78.056   4.9547  83.751   7.0036  72.350   7.0105  41.179  1.7231 38.271  1.8559 2.907757       2.532467  
1 1 1 11  13  17 o 83.248  1.6488 342.280  13.548  334.232  19.191  350.276  19.129  82.230  2.3645 84.184  2.3021 -1.953979      3.300085  
1 1 1 11  13  18 o 296.333 8.3839 4424.24  245.221 4467.24  346.685 4381.19  346.906 294.710 11.918 291.728 12.048 2.981354       16.94654  
1 1 1 11  13  19 o 123.033 6.3673 758.694  77.059  749.891  108.838 767.542  109.118 121.330 9.1556 122.793 9.0672 -1.462814      12.88563  
1 1 1 11  13  20 o 119.270 2.1043 703.153  24.772  720.249  35.960  687.711  34.175  120.611 3.0206 117.866 2.9376 2.745514       4.213468  
1 1 1 11  13  21 o 87.070  2.1419 374.844  18.408  382.051  27.262  368.805  24.956  87.808  3.1455 86.295  2.9299 1.512596       4.298673  
1 1 1 11  13  22 o 39.557  4.3582 78.861   16.734  76.136   18.671  89.986   37.726  38.731  5.0008 41.029  9.5027 -2.298119      10.73818  
1 1 1 11  13  23 o 67.864  1.3614 227.544  9.1192  236.166  12.911  218.960  12.882  69.101  1.8930 66.531  1.9616 2.570129       2.726064  
1 1 1 11  13  24 o 89.970  1.9835 400.653  17.615  390.278  26.683  408.667  23.450  88.620  3.0505 90.766  2.6175 -2.146370      4.019585  
1 1 1 11  13  25 o 78.222  2.2719 303.319  17.541  318.984  26.725  291.464  23.249  80.000  3.3845 76.536  3.0776 3.463615       4.574509  
1 1 1 11  13  26 o 17.341  6.5513 11.683   15.338  16.411   20.288  5.3758   23.432  20.071  7.5451 18.451  7.7075 1.619961       10.78584  
1 1 1 11  13  27 o 64.381  2.1423 205.579  13.613  195.459  56.623  206.200  14.025  59.205  10.049 64.469  2.2040 -5.264332      10.28776  
1 1 1 11  14  0  o 55.547  1.5691 152.382  8.6030  135.936  12.924  165.469  11.529  52.436  2.4970 57.870  2.0183 -5.434216      3.210711  
1 1 1 11  14  1  o 84.708  2.0576 354.516  17.204  358.332  17.769  297.430  68.727  85.160  2.1140 76.233  9.3285 8.926964       9.565005  
1 1 1 11  14  2  o 135.786 1.9871 910.847  26.633  952.361  38.145  871.362  37.201  138.780 2.7847 132.742 2.8393 6.037918       3.977011  
1 1 1 11  14  3  o 102.211 1.6760 515.938  16.908  502.136  24.343  528.804  23.503  100.796 2.4468 103.447 2.3018 -2.650620      3.359352  
1 1 1 11  14  4  o 151.475 2.1802 1133.64  32.596  1155.33  46.498  1112.69  45.708  152.831 3.0824 149.983 3.0875 2.847809       4.362811  
1 1 1 11  14  5  o 35.064  1.3598 60.702   4.7061  60.312   5.1151  62.858   12.011  34.949  1.4828 35.469  3.4755 -0.5203171     3.778624  
1 1 1 11  14  6  o 89.860  1.5721 398.740  13.944  409.482  20.100  388.774  19.361  91.035  2.2369 88.705  2.2113 2.330544       3.145423  
1 1 1 11  14  7  o 112.373 6.1884 630.685  68.375  603.208  96.643  658.223  96.752  109.152 9.0519 114.174 8.6496 -5.021660      12.52010  
1 1 1 11  14  8  o 119.241 6.2330 710.055  73.104  684.411  103.382 735.702  103.388 116.297 9.0781 120.708 8.7367 -4.410583      12.59930  
1 1 1 11  14  9  o 87.105  1.5886 374.669  13.658  382.507  19.366  366.911  19.266  87.985  2.2299 86.171  2.2651 1.813980       3.178580  
1 1 1 11  14  10 o 66.413  1.6560 217.818  10.855  230.288  16.143  207.526  14.666  68.262  2.3960 64.805  2.2928 3.457512       3.316264  
1 1 1 11  14  11 o 95.857  1.6718 453.786  15.818  480.004  22.973  430.151  21.811  98.553  2.3616 93.295  2.3686 5.258530       3.344765  
1 1 1 11  14  12 o 98.142  2.4090 476.046  23.336  474.166  24.277  498.891  84.625  97.942  2.5113 99.233  8.7287 -1.290779      9.082781  
1 1 1 11  14  13 o 113.759 1.7555 639.179  19.711  639.916  28.014  638.456  27.741  113.779 2.4945 113.650 2.4729 0.1283188      3.512504  
1 1 1 11  14  14 o 52.628  2.4043 136.899  12.489  127.100  20.658  142.544  15.679  50.460  4.1856 53.598  2.9755 -3.138180      5.135415  
1 1 1 11  14  15 o 68.962  1.6458 234.877  11.203  231.112  15.793  238.690  15.893  68.381  2.3399 69.494  2.3170 -1.112968      3.292965  
1 1 1 11  14  16 o 47.442  1.3799 111.137  6.4616  107.680  9.1490  114.578  9.1271  46.684  1.9855 48.158  1.9201 -1.473801      2.762076  
1 1 1 11  14  17 o 242.049 7.5943 2941.37  181.437 2892.88  256.466 2989.96  256.716 237.897 10.922 241.988 10.748 -4.091141      15.32353  
1 1 1 11  14  18 o 10.865  4.6006 0.2963   8.5285  8.0936   11.480  -9.3072  12.740  14.995  5.6672 11.107  5.0994 3.887726       7.623688  
1 1 1 11  14  19 o 214.746 3.0780 2283.35  65.241  2262.95  92.548  2303.51  91.984  213.423 4.3933 215.348 4.3275 -1.925476      6.166728  
1 1 1 11  14  20 o 147.448 2.4927 1075.52  36.277  1086.09  50.603  1064.35  52.035  148.006 3.4639 146.491 3.5987 1.515427       4.994924  
1 1 1 11  14  21 o 36.242  1.4168 64.882   5.0683  50.030   16.157  66.503   5.3378  31.198  5.4449 36.691  1.4739 -5.493132      5.640836  
1 1 1 11  14  22 o 15.547  2.4212 12.248   3.5944  21.694   15.955  11.743   3.6892  20.966  6.7697 15.195  2.5502 5.771667       7.234060  
1 1 1 11  14  23 o 43.025  3.4591 92.655   14.566  105.833  19.454  75.840   21.974  45.826  4.3531 38.323  6.0065 7.502426       7.418049  
1 1 1 11  14  24 o 57.249  2.6347 162.649  14.888  161.657  21.674  163.536  20.486  56.761  3.8922 57.148  3.6508 -0.3866730     5.336444  
1 1 1 11  14  25 o 39.770  12.582 90.900   55.331  90.900   55.331  0.0000   0.0000  39.770  12.582 ?       ?      0.000000       12.58202  
1 1 1 11  14  26 o 136.234 2.7342 922.805  36.766  974.034  66.125  899.880  44.234  138.880 4.8238 134.287 3.3372 4.592484       5.865698  
1 1 1 11  14  27 o 71.453  2.5535 253.857  18.009  264.248  27.477  246.032  23.845  72.459  3.8558 70.129  3.4448 2.329697       5.170431  
1 1 1 11  15  0  o 38.323  1.8818 72.569   7.1180  63.939   11.651  77.708   8.9910  35.771  3.3385 39.577  2.3117 -3.805939      4.060729  
1 1 1 11  15  1  o 115.241 1.6467 655.970  18.731  680.201  27.018  633.548  25.990  117.301 2.3335 113.207 2.3260 4.093422       3.294778  
1 1 1 11  15  2  o 22.655  4.1528 26.247   8.9437  26.569   9.8074  24.656   21.797  22.740  4.5285 23.113  7.9252 -0.3728180     9.127769  
1 1 1 11  15  3  f 51.146  1.7743 129.212  8.9572  124.549  13.319  133.061  12.103  50.114  2.7027 51.885  2.3632 -1.771004      3.590172  
1 1 1 11  15  4  o 105.996 1.7739 554.937  18.559  493.650  27.264  607.852  25.334  99.913  2.7646 110.903 2.3143 -10.98949      3.605445  
1 1 1 11  15  5  o 27.450  3.0388 37.730   8.0954  50.778   13.016  29.498   10.338  31.722  4.2651 23.996  4.5310 7.726040       6.222620  
1 1 1 11  15  6  o 51.199  1.3899 129.429  7.0237  141.075  8.4422  103.241  12.660  53.448  1.6003 45.604  2.8264 7.843796       3.247964  
1 1 1 11  15  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  15  8  o 139.133 9.1665 979.739  125.178 979.739  125.178 0.0000   0.0000  139.133 9.1665 ?       ?      0.000000       9.166455  
1 1 1 11  15  9  o 98.997  1.6767 484.018  16.384  466.728  22.758  502.621  23.606  97.178  2.3726 100.845 2.3716 -3.667473      3.354648  
1 1 1 11  15  10 o 47.655  1.2603 112.124  5.9282  128.679  8.7640  98.161   8.0489  51.042  1.7396 44.579  1.8293 6.463692       2.524330  
1 1 1 11  15  11 o 131.674 2.0106 856.588  26.132  846.992  37.015  866.123  36.896  130.863 2.8657 132.336 2.8247 -1.473755      4.023815  
1 1 1 11  15  12 o 114.906 1.7094 652.128  19.387  662.352  27.639  642.225  27.201  115.758 2.4190 113.985 2.4177 1.772255       3.420080  
1 1 1 11  15  13 o 50.051  1.7186 123.732  8.4903  116.363  15.362  126.972  10.188  48.380  3.2357 50.694  2.0360 -2.313599      3.822956  
1 1 1 11  15  14 o 53.338  1.5174 140.493  7.9885  153.342  11.366  127.950  11.230  55.708  2.0671 50.881  2.2360 4.826225       3.045143  
1 1 1 11  15  15 o 28.347  3.6235 40.452   9.9065  41.271   13.903  39.607   14.119  28.377  5.1536 27.753  5.3482 0.6239014      7.427147  
1 1 1 11  15  16 o 82.944  2.7137 340.296  22.217  325.184  31.145  355.952  31.701  80.984  3.8964 84.739  3.7901 -3.755249      5.435709  
1 1 1 11  15  17 o 29.178  7.0033 44.366   19.913  48.933   28.390  39.944   27.937  30.741  8.8670 28.248  8.9408 2.493006       12.59211  
1 1 1 11  15  18 o 152.679 2.4282 1152.80  36.593  1142.34  53.108  1162.25  50.493  151.810 3.5443 153.164 3.3399 -1.354706      4.869990  
1 1 1 11  15  19 o 27.944  5.3572 40.230   14.238  31.591   19.222  50.734   21.195  24.843  7.3339 31.170  7.0536 -6.327684      10.17543  
1 1 1 11  15  20 o 135.768 2.2151 911.604  29.684  902.099  42.548  920.618  41.433  134.907 3.1953 136.305 3.0797 -1.398605      4.437825  
1 1 1 11  15  21 o 156.578 2.8347 1214.77  43.810  1280.28  73.753  1179.05  54.458  160.202 4.6642 154.076 3.5809 6.125671       5.880320  
1 1 1 11  15  22 o 63.222  1.7982 197.641  11.221  208.911  13.666  174.327  19.657  64.974  2.1310 59.138  3.3817 5.836765       3.997075  
1 1 1 11  15  23 o 48.556  1.4700 116.537  7.0450  123.317  10.104  110.122  9.8280  49.911  2.0510 47.161  2.1113 2.750145       2.943476  
1 1 1 11  15  24 o 80.673  3.2128 324.069  25.583  313.277  27.073  414.067  78.181  79.262  3.4605 88.100  9.1229 -8.837906      9.757155  
1 1 1 11  15  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  15  26 o 55.025  2.8297 151.089  15.316  173.449  24.626  136.982  19.560  58.563  4.2902 52.144  3.8271 6.418640       5.749130  
1 1 1 11  15  27 o 17.395  1.6496 15.116   2.7984  15.825   4.1385  14.519   3.7985  17.680  2.4362 16.939  2.3338 0.7406826      3.373709  
1 1 1 11  16  0  o 71.077  1.6105 249.613  11.299  273.796  17.058  230.709  15.081  74.395  2.3230 68.297  2.2372 6.098251       3.225145  
1 1 1 11  16  1  o 32.452  2.2108 52.313   7.0394  61.478   11.031  46.016   9.1432  35.078  3.2219 30.323  3.0984 4.755165       4.470000  
1 1 1 11  16  2  o 219.307 2.7957 2379.97  60.518  2419.04  85.998  2341.64  85.177  220.807 3.9459 217.239 3.9724 3.568771       5.599088  
1 1 1 11  16  3  o 146.276 2.7667 1058.52  39.946  1055.01  41.895  1093.61  132.506 146.016 2.9069 146.653 9.2006 -0.6379395     9.648900  
1 1 1 11  16  4  o 138.405 2.0636 946.585  28.191  964.465  40.592  929.927  39.182  139.615 2.9456 137.098 2.8955 2.516678       4.130440  
1 1 1 11  16  5  o 114.790 1.7936 650.903  20.322  678.645  29.455  625.703  28.073  117.156 2.5472 112.495 2.5283 4.660950       3.588922  
1 1 1 11  16  6  o 14.772  5.4018 8.7410   10.270  5.3405   14.370  12.292   14.684  15.346  6.1787 17.565  6.4537 -2.218758      8.934543  
1 1 1 11  16  7  o 144.032 9.2692 1052.32  131.076 0.0000   0.0000  1052.32  131.076 ?       ?      144.032 9.2692 0.000000       9.269191  
1 1 1 11  16  8  o 189.787 2.6061 1780.98  48.819  1760.33  71.807  1798.72  66.570  188.472 3.8600 190.579 3.5389 -2.107101      5.236744  
1 1 1 11  16  9  o 154.424 2.3351 1178.68  35.592  1195.11  52.383  1164.58  48.510  155.362 3.4160 153.395 3.2040 1.967087       4.683413  
1 1 1 11  16  10 o 113.620 1.9507 637.792  21.877  613.786  31.922  659.051  30.041  111.388 2.9035 115.447 2.6363 -4.058296      3.921784  
1 1 1 11  16  11 o 146.085 2.0020 1054.43  28.867  976.153  39.658  1142.64  42.099  140.474 2.8602 151.989 2.8062 -11.51460      4.006950  
1 1 1 11  16  12 o 106.448 1.8903 559.800  19.861  526.473  27.287  597.351  28.965  103.176 2.6795 109.903 2.6701 -6.726753      3.782698  
1 1 1 11  16  13 o 64.504  2.2272 205.650  14.180  211.851  23.252  201.977  17.893  65.290  3.6223 63.896  2.8371 1.394218       4.601077  
1 1 1 11  16  14 o 103.569 1.8788 529.958  19.206  521.253  26.792  539.160  27.548  102.660 2.6440 104.406 2.6732 -1.746056      3.759894  
1 1 1 11  16  15 o 96.225  2.0500 457.582  19.470  459.177  32.729  456.709  24.223  96.274  3.4442 96.098  2.5538 0.1767197      4.287671  
1 1 1 11  16  16 o 26.144  6.8783 35.505   17.989  27.884   25.267  43.339   25.616  24.623  8.5277 28.987  8.4405 -4.363438      11.99849  
1 1 1 11  16  17 o 149.901 3.3243 1113.34  49.185  1120.03  69.534  1106.64  69.583  150.058 4.6947 149.150 4.7266 0.9079285      6.661891  
1 1 1 11  16  18 o 92.454  2.3266 422.725  21.231  411.117  36.776  428.529  26.002  90.978  4.0954 93.040  2.8314 -2.062378      4.978839  
1 1 1 11  16  19 o 170.038 2.5738 1430.91  43.197  1475.29  61.602  1387.98  60.589  172.419 3.6197 167.226 3.6708 5.193176       5.155292  
1 1 1 11  16  20 o 70.033  2.3116 242.675  15.979  229.064  23.270  254.820  21.981  67.842  3.4868 71.691  3.1063 -3.848068      4.669833  
1 1 1 11  16  21 o 42.077  3.1299 88.334   12.906  86.897   18.905  89.589   17.662  41.448  4.7043 42.175  4.3030 -0.7272186     6.375433  
1 1 1 11  16  22 o 60.176  2.5360 179.479  15.063  199.679  22.220  162.303  20.489  63.240  3.5744 56.977  3.6627 6.262901       5.117802  
1 1 1 11  16  23 o 12.142  4.9379 3.0616   9.2800  11.438   12.917  -5.8726  13.341  16.548  6.0571 12.022  5.3990 4.526576       8.114014  
1 1 1 11  16  24 o 38.674  9.5533 83.083   36.253  83.083   36.253  0.0000   0.0000  38.674  9.5533 ?       ?      0.000000       9.553281  
1 1 1 11  16  25 f 14.317  6.0003 2.4425   14.269  3.5187   21.840  1.6409   18.848  17.492  7.3817 16.015  6.8128 1.476259       10.04510  
1 1 1 11  16  26 o 104.246 2.2533 539.455  23.186  520.392  34.297  555.500  31.464  102.007 3.4064 105.540 3.0204 -3.533745      4.552652  
1 1 1 11  17  0  o 164.451 2.3216 1338.77  37.684  1437.16  54.179  1246.56  52.448  170.144 3.2261 158.423 3.3541 11.72125       4.653843  
1 1 1 11  17  1  o 21.243  3.3766 22.942   6.8431  21.232   9.8182  24.558   9.5428  20.222  4.9573 21.794  4.5816 -1.571634      6.750231  
1 1 1 11  17  2  o 34.429  2.1590 58.847   7.2998  70.644   11.320  50.450   9.5508  37.633  3.0744 31.759  3.0858 5.874081       4.355914  
1 1 1 11  17  3  o 39.832  2.1216 78.660   8.3111  81.739   12.428  76.169   11.178  40.500  3.1333 39.114  2.9164 1.386238       4.280534  
1 1 1 11  17  4  o 73.746  1.6252 268.648  11.829  308.380  17.866  237.631  15.785  78.974  2.2920 69.325  2.3069 9.649368       3.251899  
1 1 1 11  17  5  o 136.674 6.4367 934.671  86.833  928.495  122.850 940.836  122.752 134.941 9.2799 135.872 9.2074 -0.9312897     13.07261  
1 1 1 11  17  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  17  7  o 106.538 1.8358 560.752  19.305  563.818  27.699  557.856  26.921  106.769 2.6283 106.208 2.5680 0.5608368      3.674616  
1 1 1 11  17  8  o 123.365 1.8896 751.921  23.008  760.714  32.896  743.499  32.193  124.014 2.6874 122.605 2.6602 1.408432       3.781428  
1 1 1 11  17  9  o 81.948  1.7875 331.748  14.459  344.303  22.793  323.294  18.703  83.426  2.7680 80.868  2.3432 2.558006       3.626634  
1 1 1 11  17  10 o 129.321 2.0829 826.485  26.587  824.190  38.493  828.578  36.765  129.045 3.0221 129.405 2.8784 -0.3602600     4.173511  
1 1 1 11  17  11 o 57.610  2.2887 164.065  13.014  166.172  19.989  162.514  17.146  57.807  3.5201 57.220  3.0468 0.5874062      4.655581  
1 1 1 11  17  12 o 133.207 2.2172 877.104  29.152  835.908  42.335  914.255  40.203  129.916 3.3014 135.910 2.9969 -5.994019      4.458771  
1 1 1 11  17  13 o 58.029  2.1216 166.435  12.152  164.046  17.381  168.719  16.996  57.483  3.0745 58.310  2.9628 -0.8272552     4.269733  
1 1 1 11  17  14 o 24.299  5.8056 30.646   13.734  0.0000   0.0000  30.646   13.734  ?       ?      24.299  5.8056 0.000000       5.805575  
1 1 1 11  17  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  17  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  17  17 o 72.039  1.6550 256.395  11.768  237.645  16.700  274.887  16.585  69.310  2.4412 74.556  2.2537 -5.246361      3.322396  
1 1 1 11  17  18 o 28.190  4.9588 40.771   13.294  54.055   18.607  26.921   19.000  32.336  6.0522 23.242  7.3750 9.094490       9.540464  
1 1 1 11  17  19 o 86.515  1.9795 370.088  16.904  393.378  26.690  354.489  21.843  89.081  3.0355 84.612  2.6154 4.469246       4.006832  
1 1 1 11  17  20 o 103.969 2.0174 534.678  20.703  548.135  29.575  521.748  28.990  105.151 2.8495 102.587 2.8630 2.564339       4.039397  
1 1 1 11  17  21 o 28.687  0.9387 40.636   2.6580  34.120   3.7908  46.938   3.7281  26.234  1.4699 30.825  1.2253 -4.590439      1.913614  
1 1 1 11  17  22 o 51.972  1.0578 133.420  5.4265  149.172  7.7040  117.909  7.6449  54.936  1.4208 48.832  1.5861 6.104080       2.129416  
1 1 1 11  17  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  17  24 o 34.631  3.8859 60.834   13.054  59.530   18.278  62.192   18.648  33.748  5.6896 34.517  5.6704 -0.7689362     8.032744  
1 1 1 11  17  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  17  26 o 81.533  2.0696 329.836  16.656  339.613  22.155  317.127  25.259  82.572  2.7183 79.646  3.2130 2.925827       4.208617  
1 1 1 11  18  0  o 141.819 1.9844 995.310  27.778  1001.89  39.719  989.007  38.863  142.087 2.8321 141.182 2.7889 0.9047699      3.974780  
1 1 1 11  18  1  o 47.576  1.9747 111.985  9.2729  124.223  15.326  104.918  11.647  49.919  3.1262 45.939  2.5790 3.980499       4.052690  
1 1 1 11  18  2  o 48.059  1.8731 114.210  8.8852  121.980  13.030  107.457  12.147  49.544  2.6745 46.495  2.6580 3.049763       3.770631  
1 1 1 11  18  3  f 81.918  1.9164 331.787  15.496  349.804  19.970  304.526  24.564  84.068  2.4067 78.355  3.1762 5.713356       3.985020  
1 1 1 11  18  4  f 38.998  2.4266 75.543   9.2942  86.987   14.993  68.401   11.844  41.696  3.6809 36.996  3.2775 4.700008       4.928555  
1 1 1 11  18  5  o 60.936  6.1550 187.914  36.512  191.861  51.918  184.051  51.358  60.781  8.9193 59.471  9.0334 1.310459       12.69472  
1 1 1 11  18  6  o 54.432  3.7952 147.742  20.263  151.191  22.681  134.102  45.102  55.003  4.2097 50.536  9.3875 4.466934       10.28816  
1 1 1 11  18  7  o 29.068  3.1265 42.331   8.8293  35.517   12.903  48.330   12.108  26.252  5.1637 30.939  4.0631 -4.686848      6.570585  
1 1 1 11  18  8  o 39.395  2.9040 77.238   11.212  95.537   16.903  62.862   14.982  43.698  3.9621 35.300  4.3952 8.397861       5.917501  
1 1 1 11  18  9  o 55.940  2.3515 154.742  12.984  141.186  19.381  165.778  17.487  53.228  3.7123 57.779  3.0775 -4.550869      4.822021  
1 1 1 11  18  10 o 69.743  2.2341 240.480  15.379  264.958  23.147  221.136  20.577  73.138  3.2065 66.823  3.1199 6.314919       4.473809  
1 1 1 11  18  11 o 61.186  1.3228 184.876  7.9888  207.183  12.915  171.050  10.167  64.745  2.0209 58.840  1.7507 5.905342       2.673750  
1 1 1 11  18  12 o 48.877  1.2095 117.963  5.8352  105.882  7.3660  138.319  9.5614  46.297  1.6119 52.908  1.8309 -6.611122      2.439378  
1 1 1 11  18  13 o 79.493  1.6490 312.184  12.938  326.861  18.860  299.137  17.782  81.298  2.3504 77.776  2.3163 3.521904       3.299954  
1 1 1 11  18  14 o 50.734  6.3724 130.958  31.207  131.120  43.719  130.791  44.559  50.008  9.1961 49.886  9.3942 0.1224289      13.14609  
1 1 1 11  18  15 o 77.511  9.0576 310.095  67.989  0.0000   0.0000  310.095  67.989  ?       ?      77.511  9.0576 0.000000       9.057574  
1 1 1 11  18  16 o 72.525  1.6520 259.892  11.826  237.014  17.074  280.991  16.396  69.207  2.4994 75.377  2.2038 -6.170105      3.332265  
1 1 1 11  18  17 o 111.245 2.1119 612.009  23.189  590.024  34.044  631.039  31.673  109.089 3.1618 112.866 2.8431 -3.777756      4.252070  
1 1 1 11  18  18 o 37.390  3.7137 70.147   13.524  68.020   21.846  71.468   17.220  36.261  6.3345 37.551  4.7525 -1.290672      7.919081  
1 1 1 11  18  19 o 94.523  2.0117 441.959  18.769  454.153  27.529  431.368  25.656  95.697  2.9145 93.285  2.7864 2.412132       4.032193  
1 1 1 11  18  20 o 60.990  1.1974 183.748  7.2081  186.544  10.212  180.971  10.176  61.424  1.6843 60.498  1.7041 0.9258461      2.396035  
1 1 1 11  18  21 o 10.181  4.5384 -3.5395  9.2411  -20.7302 22.540  -0.0659  10.132  14.012  6.5524 11.650  4.9763 2.361625       8.227885  
1 1 1 11  18  22 o 55.000  9.7401 165.517  50.941  0.0000   0.0000  165.517  50.941  ?       ?      55.000  9.7401 0.000000       9.740118  
1 1 1 11  18  23 o 85.677  9.3156 398.045  77.510  0.0000   0.0000  398.045  77.510  ?       ?      85.677  9.3156 0.000000       9.315650  
1 1 1 11  18  24 o 85.856  1.9720 365.411  16.711  352.741  24.253  376.864  23.059  84.131  2.9207 87.026  2.6844 -2.894836      3.966906  
1 1 1 11  18  25 o 71.731  2.1488 255.386  15.214  259.339  35.539  254.500  16.834  71.193  5.0911 71.560  2.3834 -0.3671341     5.621418  
1 1 1 11  18  26 o 34.039  2.2582 57.834   7.5439  55.862   7.6720  115.401  41.450  33.437  2.3393 44.892  9.6422 -11.45475      9.921899  
1 1 1 11  19  0  o 85.072  1.6077 357.890  13.499  346.601  19.592  368.095  18.627  83.620  2.3738 86.202  2.1892 -2.582062      3.229166  
1 1 1 11  19  1  f 37.357  2.2096 69.370   8.1113  70.578   12.162  68.401   10.886  37.517  3.3187 36.982  3.0082 0.5348396      4.479184  
1 1 1 11  19  2  o 12.375  4.7571 5.1793   8.1750  5.6333   13.958  4.9423   10.086  15.131  6.0904 13.207  5.2230 1.924342       8.023281  
1 1 1 11  19  3  o 32.792  2.4600 53.576   7.9043  55.481   12.103  52.159   10.438  33.168  3.7635 32.225  3.3296 0.9436874      5.024919  
1 1 1 11  19  4  o 104.820 6.2871 556.695  64.747  544.230  91.659  569.111  91.475  102.154 9.1888 104.623 8.9441 -2.469246      12.82303  
1 1 1 11  19  5  o 29.746  6.8712 46.492   19.768  52.404   28.005  40.620   27.907  31.457  8.7178 28.203  8.9370 3.254225       12.48480  
1 1 1 11  19  6  o 72.702  1.7421 261.245  12.501  253.510  18.459  267.799  16.990  71.550  2.6137 73.564  2.3399 -2.013580      3.508093  
1 1 1 11  19  7  o 127.316 1.9545 801.379  24.561  808.773  35.911  794.880  33.666  127.775 2.8474 126.698 2.6921 1.076973       3.918540  
1 1 1 11  19  8  o 116.281 2.1468 668.664  24.640  661.081  42.327  672.551  30.304  115.385 3.7165 116.559 2.6340 -1.173248      4.555241  
1 1 1 11  19  9  o 71.220  1.9817 250.752  13.931  263.884  21.157  240.700  18.510  72.988  2.9367 69.729  2.6894 3.259148       3.982150  
1 1 1 11  19  10 o 159.276 2.2155 1254.62  34.831  1291.28  50.064  1220.22  48.490  161.417 3.1423 156.915 3.1308 4.501877       4.435724  
1 1 1 11  19  11 o 16.468  1.1717 13.460   1.8921  2.5272   2.7297  23.569   2.6250  7.7899  2.7938 21.812  1.2242 -14.02211      3.050275  
1 1 1 11  19  12 o 76.731  1.7601 290.951  13.331  274.038  21.267  301.897  17.109  74.382  2.8967 78.130  2.2185 -3.747627      3.648663  
1 1 1 11  19  13 o 72.007  6.2319 262.118  43.856  251.242  62.130  272.919  61.913  69.495  9.2903 72.652  8.8143 -3.157112      12.80628  
1 1 1 11  19  14 o 46.907  6.6342 112.820  29.859  113.675  43.235  112.039  41.286  46.194  9.7866 45.958  9.4179 0.2360077      13.58214  
1 1 1 11  19  15 o 140.269 2.1701 973.211  30.046  948.640  42.944  996.771  42.052  138.315 3.1456 141.810 3.0043 -3.494949      4.349784  
1 1 1 11  19  16 o 74.511  3.8112 276.740  27.936  323.950  67.635  267.029  30.674  79.030  8.8210 73.096  4.2702 5.934425       9.800253  
1 1 1 11  19  17 f 90.145  1.8417 401.792  16.387  431.374  23.747  374.901  22.641  93.320  2.5781 86.990  2.6369 6.330063       3.687781  
1 1 1 11  19  18 o 83.578  2.1711 345.736  17.910  340.974  26.697  349.633  24.151  82.850  3.2647 83.951  2.9146 -1.100693      4.376406  
1 1 1 11  19  19 o 39.088  1.0925 75.464   4.2149  73.622   6.1352  77.110   5.8003  38.589  1.6108 39.498  1.4878 -0.9085121     2.192733  
1 1 1 11  19  20 o 56.317  2.7847 157.476  15.479  159.081  23.814  156.302  20.370  56.206  4.3258 55.857  3.7159 0.3493347      5.702690  
1 1 1 11  19  21 f 133.250 6.5606 910.359  86.287  904.385  121.714 916.396  122.345 129.842 9.5644 130.722 9.5481 -0.8803864     13.51463  
1 1 1 11  19  22 o 132.838 6.5943 910.280  86.462  905.887  122.089 914.700  122.464 129.111 9.6500 129.764 9.6300 -0.6533508     13.63308  
1 1 1 11  19  23 o 57.812  1.8000 165.570  10.271  168.322  14.826  163.030  14.243  58.175  2.5820 57.264  2.5199 0.9113503      3.607814  
1 1 1 11  19  24 o 47.233  1.4166 110.382  6.6042  106.066  9.4973  114.422  9.1897  46.234  2.0812 48.037  1.9382 -1.803741      2.843898  
1 1 1 11  19  25 o 87.720  2.2210 382.319  19.230  390.689  31.345  377.268  24.352  88.193  3.6008 86.953  2.8373 1.239304       4.584312  
1 1 1 11  19  26 o 89.989  6.5713 428.374  57.964  409.592  81.267  447.824  82.699  84.509  9.9321 88.799  9.5876 -4.290009      13.80467  
1 1 1 11  20  0  o 17.873  5.0097 16.590   9.1930  17.337   14.565  16.095   11.852  19.011  6.4785 18.004  5.8369 1.006866       8.720123  
1 1 1 11  20  1  o 80.269  1.6684 318.739  13.218  332.153  20.563  309.294  17.255  81.810  2.5465 78.999  2.2129 2.811577       3.373688  
1 1 1 11  20  2  o 86.740  1.6361 372.145  14.008  419.020  21.946  339.916  18.197  91.920  2.4188 82.821  2.2260 9.099098       3.287216  
1 1 1 11  20  3  o 68.007  1.7144 228.793  11.508  246.654  18.074  216.614  14.925  70.504  2.5972 66.111  2.2872 4.392418       3.460713  
1 1 1 11  20  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 11  20  5  o 72.267  1.7390 258.289  12.404  250.833  18.574  264.291  16.666  71.116  2.6461 73.042  2.3116 -1.925522      3.513591  
1 1 1 11  20  6  o 33.342  2.9578 55.603   9.6332  53.268   12.495  59.025   15.125  32.451  3.9848 34.050  4.6196 -1.599449      6.100805  
1 1 1 11  20  7  o 55.408  2.0858 151.912  11.407  182.670  17.024  126.848  15.368  60.690  2.8419 50.457  3.1007 10.23318       4.205995  
1 1 1 11  20  8  o 74.087  1.8175 271.403  13.291  269.501  18.693  273.346  18.901  73.758  2.5677 74.281  2.5779 -0.5231552     3.638538  
1 1 1 11  20  9  o 25.799  3.9161 33.859   9.6591  38.211   14.297  30.204   13.101  27.124  5.5279 24.060  5.6185 3.064140       7.881964  
1 1 1 11  20  10 o 74.643  1.8760 275.488  13.821  280.101  20.425  271.593  18.772  75.183  2.7524 74.052  2.5682 1.131218       3.764485  
1 1 1 11  20  11 o 146.238 2.2916 1058.37  33.077  1088.65  48.381  1031.80  45.324  148.091 3.3099 144.204 3.1843 3.887085       4.592971  
1 1 1 11  20  12 o 69.696  6.2330 246.520  42.426  247.550  60.368  245.514  59.636  68.796  9.1146 68.541  9.0353 0.2549057      12.83408  
1 1 1 11  20  13 o 79.824  6.2057 322.867  48.510  330.003  68.914  315.858  68.297  79.632  8.9210 77.825  9.0605 1.807037       12.71524  
1 1 1 11  20  14 o 91.069  2.0298 410.252  18.245  399.432  26.288  420.309  25.344  89.741  2.9678 92.083  2.7885 -2.341980      4.072226  
1 1 1 11  20  15 o 89.322  2.0574 394.736  18.139  409.338  26.832  382.446  24.615  90.832  2.9928 87.820  2.8397 3.011154       4.125619  
1 1 1 11  20  16 o 59.517  1.5274 175.079  8.9730  190.952  12.842  159.937  12.543  62.117  2.0945 56.838  2.2358 5.279049       3.063626  
1 1 1 11  20  17 o 72.287  6.3191 266.785  44.633  272.801  63.042  260.739  63.200  71.868  9.0904 70.101  9.3684 1.766960       13.05380  
1 1 1 11  20  18 f 153.104 2.5008 1162.30  37.792  1219.51  54.785  1110.36  52.200  156.455 3.5477 149.291 3.5425 7.163635       5.013477  
1 1 1 11  20  19 o 52.768  1.1146 137.563  5.8055  123.773  8.2487  151.098  8.1722  50.021  1.6707 55.280  1.4977 -5.259026      2.243765  
1 1 1 11  20  20 o 40.913  1.8928 82.889   7.6437  87.079   22.886  82.363   8.1093  40.982  5.8214 40.773  2.0150 0.2084846      6.160292  
1 1 1 11  20  21 o 43.894  6.7339 101.659  28.244  97.838   39.767  105.547  40.120  41.678  9.8269 43.426  9.6139 -1.748531      13.74754  
1 1 1 11  20  22 o 118.299 2.3703 695.321  27.677  712.297  40.809  680.864  37.662  119.280 3.4662 116.710 3.2694 2.569939       4.764825  
1 1 1 11  20  23 o 110.632 2.3015 608.202  25.132  626.224  38.102  594.323  33.437  111.781 3.4534 109.056 3.1063 2.725014       4.644942  
1 1 1 11  20  24 o 49.258  1.0468 119.927  5.0897  121.565  7.2508  118.336  7.1461  49.555  1.4824 48.893  1.4808 0.6623917      2.095295  
1 1 1 11  20  25 o 70.725  2.0929 248.533  14.610  251.590  27.924  247.380  17.144  70.411  4.0348 70.469  2.4647 -0.5799103E-01 4.728029  
1 1 1 11  21  2  o 16.960  4.4775 14.986   7.6056  16.395   12.417  14.141   9.6215  18.218  5.9779 16.750  5.2394 1.467653       7.949021  
1 1 1 11  21  3  o 70.310  6.4711 255.258  44.404  263.611  62.992  247.006  62.604  69.842  9.3743 67.381  9.6920 2.460777       13.48377  
1 1 1 11  21  4  o 31.293  4.7286 50.341   14.150  48.030   16.045  58.430   30.016  30.333  5.5641 32.677  9.0137 -2.344135      10.59275  
1 1 1 11  21  5  o 32.939  2.9929 54.403   9.6244  54.065   13.936  54.711   13.308  32.528  4.4577 32.784  4.2099 -0.2560654     6.131430  
1 1 1 11  21  6  o 28.006  3.2159 39.546   8.7287  38.135   12.911  40.734   11.846  27.106  5.0102 28.180  4.4030 -1.074425      6.669991  
1 1 1 11  21  7  o 40.058  3.2129 80.347   12.597  102.529  37.826  77.581   13.359  43.456  9.1100 39.309  3.4791 4.147507       9.751726  
1 1 1 11  21  8  f 152.540 2.2592 1152.78  34.014  1170.57  49.013  1136.25  47.243  153.401 3.2371 151.162 3.1664 2.239548       4.528177  
1 1 1 11  21  9  o 33.274  1.6400 54.746   5.3861  53.250   14.481  54.986   5.8024  32.274  4.6824 33.294  1.7720 -1.020351      5.006523  
1 1 1 11  21  10 o 54.040  1.6785 144.409  8.9528  137.258  10.901  159.230  15.693  52.656  2.0974 56.645  2.8068 -3.989132      3.503851  
1 1 1 11  21  11 o 64.328  6.3316 211.726  39.681  200.967  56.063  222.527  56.172  61.306  9.5783 64.835  9.0221 -3.529209      13.15833  
1 1 1 11  21  12 o 15.525  6.0993 7.3577   13.669  4.3401   18.295  11.171   20.567  16.536  6.8507 18.947  7.4694 -2.411142      10.13534  
1 1 1 11  21  13 o 100.013 2.0360 495.087  20.099  516.443  29.997  477.690  27.075  101.979 2.9801 98.114  2.7958 3.864281       4.086221  
1 1 1 11  21  14 o 46.035  2.9104 105.642  13.156  105.828  20.169  105.504  17.357  45.756  4.5252 45.830  3.8733 -0.7393646E-01 5.956485  
1 1 1 11  21  15 o 23.675  5.1743 29.278   11.754  26.821   16.106  32.077   17.192  22.723  6.7148 24.677  6.8276 -1.954348      9.576261  
1 1 1 11  21  16 o 94.546  2.0485 442.641  19.117  470.228  29.569  422.829  25.058  97.243  3.0807 92.282  2.7510 4.960579       4.130219  
1 1 1 11  21  17 o 16.210  1.1138 13.042   1.7713  15.717   2.5990  10.723   2.4204  17.766  1.4960 14.623  1.7092 3.143098       2.271471  
1 1 1 11  21  18 o 77.466  4.9001 303.994  37.274  303.994  37.274  0.0000   0.0000  77.466  4.9001 ?       ?      0.000000       4.900077  
1 1 1 11  21  19 o 33.279  4.4552 56.712   14.267  54.613   19.116  59.351   21.437  32.120  6.2543 33.361  6.7421 -1.240242      9.196320  
1 1 1 11  21  20 o 27.944  7.3911 42.416   20.700  40.355   29.778  44.343   28.795  27.621  9.2642 28.587  9.0801 -0.9667702     12.97203  
1 1 1 11  21  21 o 64.482  1.6554 205.913  10.536  213.712  15.111  198.535  14.698  65.580  2.3344 63.205  2.3560 2.375580       3.316651  
1 1 1 11  21  22 o 39.718  1.2520 78.019   4.9081  70.159   7.1016  85.207   6.7910  37.561  1.9219 41.474  1.6589 -3.912487      2.538862  
1 1 1 11  21  23 o 40.050  1.0842 79.295   4.2859  103.014  7.5828  68.161   5.1954  45.594  1.6850 37.109  1.4184 8.484409       2.202496  
1 1 1 11  21  24 o 33.039  1.2168 53.998   3.9681  60.392   5.8508  48.552   5.3998  34.902  1.6984 31.240  1.7583 3.661846       2.444606  
1 1 1 11  21  25 o 50.411  6.9742 138.121  33.773  128.465  47.327  148.139  48.209  45.910  10.650 49.851  10.143 -3.941212      14.70732  
1 1 1 11  22  3  o 65.923  6.5322 226.470  41.944  219.352  59.967  233.288  58.690  62.743  10.020 65.169  9.3956 -2.426105      13.73611  
1 1 1 11  22  4  o 39.550  2.4552 77.977   9.5373  84.369   14.158  72.667   12.904  40.932  3.5392 37.979  3.4812 2.953564       4.964299  
1 1 1 11  22  5  o 13.670  4.9584 7.9063   8.6282  10.046   12.801  6.1244   11.680  15.974  5.9956 14.253  5.6258 1.720513       8.221725  
1 1 1 11  22  6  o 37.484  2.5985 70.142   9.5547  72.655   14.195  68.060   12.920  37.901  3.8478 36.726  3.6107 1.175804       5.276653  
1 1 1 11  22  7  o 56.048  2.5743 156.054  14.242  162.125  30.172  154.313  16.154  56.230  5.5070 55.600  2.9542 0.6293144      6.249368  
1 1 1 11  22  8  o 33.896  1.7194 57.012   5.7339  0.0000   0.0000  57.012   5.7339  ?       ?      33.896  1.7194 0.000000       1.719426  
1 1 1 11  22  9  o 29.877  3.4698 45.134   10.042  51.993   15.442  40.108   13.218  31.698  5.1094 27.783  5.0042 3.914499       7.151823  
1 1 1 11  22  10 o 61.677  6.4759 196.885  38.835  182.891  54.438  211.388  55.418  57.700  9.9159 62.499  9.2640 -4.798386      13.57004  
1 1 1 11  22  11 o 31.962  7.2348 54.736   22.293  65.539   31.167  43.420   31.899  34.544  9.0373 28.839  9.5870 5.704229       13.17507  
1 1 1 11  22  12 o 40.441  1.3900 80.856   5.5486  82.361   5.9359  70.441   15.618  40.811  1.4736 37.226  4.3315 3.585293       4.575326  
1 1 1 11  22  13 f 32.860  1.6144 53.418   5.2363  42.572   17.486  54.486   5.4881  28.314  6.4065 33.142  1.6832 -4.827339      6.623908  
1 1 1 11  22  14 o 58.838  1.4229 171.177  8.2635  171.678  22.117  171.096  8.9087  58.452  3.8551 58.815  1.5346 -0.3633575     4.149283  
1 1 1 11  22  15 o 89.686  2.0364 398.573  18.027  425.082  28.982  381.845  23.023  92.353  3.1794 87.659  2.6609 4.694275       4.145963  
1 1 1 11  22  16 o 16.005  1.4612 12.775   2.2829  13.612   3.2124  11.920   3.2447  16.451  2.0208 15.349  2.2051 1.102630       2.991032  
1 1 1 11  22  17 o 40.243  0.9656 80.007   3.8355  73.732   5.4645  86.101   5.3847  38.609  1.4339 41.730  1.3073 -3.120716      1.940439  
1 1 1 11  22  18 o 64.429  2.4328 206.289  15.471  216.664  23.291  198.096  20.697  65.663  3.6075 62.857  3.3480 2.806156       4.921736  
1 1 1 11  22  19 o 55.381  6.6190 161.592  35.464  180.655  50.153  142.528  50.155  57.012  9.2278 49.666  10.556 7.346287       14.02107  
1 1 1 11  22  20 o 67.213  1.6611 223.785  11.020  234.444  15.940  214.027  15.252  68.666  2.3519 65.608  2.3552 3.058754       3.328430  
1 1 1 11  22  21 o 26.063  1.8367 33.853   4.6948  46.555   18.488  32.977   4.8539  29.302  6.5563 25.710  1.9268 3.592073       6.833562  
1 1 1 11  22  22 o 47.279  1.1221 110.527  5.2363  102.286  6.6470  124.005  8.5011  45.450  1.4817 50.014  1.7221 -4.563869      2.271776  
1 1 1 11  22  23 o 28.664  1.9748 40.998   5.5530  61.132   21.141  39.506   5.7551  33.516  6.6255 28.116  2.0887 5.399822       6.946965  
1 1 1 11  22  24 f 25.423  1.2308 31.987   3.0885  33.636   4.4380  30.438   4.3007  25.977  1.7410 24.700  1.7759 1.276737       2.486883  
1 1 1 11  23  5  o 23.590  4.6985 29.132   10.556  33.405   13.574  22.594   16.790  25.073  5.6235 21.082  6.9529 3.991106       8.942360  
1 1 1 11  23  6  o 118.320 2.0628 694.346  24.090  719.857  35.018  671.426  33.192  120.162 2.9525 116.071 2.8972 4.090805       4.136564  
1 1 1 11  23  7  o 11.495  4.7678 1.9207   8.8763  1.4262   12.519  2.4206   12.587  13.232  5.5868 13.530  5.6501 -0.2977524     7.945817  
1 1 1 11  23  8  o 49.944  2.3190 123.857  11.432  126.087  16.719  121.898  15.667  50.106  3.4006 49.303  3.2375 0.8025017      4.695248  
1 1 1 11  23  9  o 57.671  6.7243 174.552  37.559  173.995  52.929  175.116  53.305  55.693  9.9958 55.847  10.039 -0.1544189     14.16695  
1 1 1 11  23  10 o 40.868  12.896 100.689  58.160  0.0000   0.0000  100.689  58.160  ?       ?      40.868  12.896 0.000000       12.89650  
1 1 1 11  23  11 o 32.377  1.2343 51.824   3.9445  42.943   5.6669  60.170   5.4938  29.368  1.9663 34.866  1.5964 -5.498379      2.532744  
1 1 1 11  23  12 o 50.662  1.4028 126.955  7.0146  124.660  10.033  129.151  9.8112  50.140  2.0272 51.045  1.9473 -0.9044647     2.810988  
1 1 1 11  23  13 o 39.719  1.2368 77.997   4.8487  77.379   6.9717  78.576   6.7480  39.523  1.7871 39.833  1.7163 -0.3103180     2.477805  
1 1 1 11  23  14 o 45.165  1.8371 101.075  8.1898  98.967   8.9799  111.501  19.967  44.671  2.0367 46.812  4.3721 -2.141331      4.823167  
1 1 1 11  23  15 o 75.467  1.7421 282.119  12.977  279.839  18.690  284.241  18.032  75.008  2.5244 75.620  2.4159 -0.6122665     3.494175  
1 1 1 11  23  16 o 75.303  1.4283 280.584  10.616  281.811  15.025  279.361  15.003  75.370  2.0197 75.041  2.0255 0.3293839      2.860397  
1 1 1 11  23  17 o 33.088  1.2555 54.145   4.1005  54.669   5.8198  53.629   5.7783  33.165  1.7844 32.846  1.7890 0.3182449      2.526822  
1 1 1 11  23  18 o 41.057  7.0519 90.955   27.548  91.065   39.005  90.845   38.913  39.560  9.9877 39.518  9.9752 0.4169846E-01  14.11591  
1 1 1 11  23  19 o 32.938  3.9387 55.484   12.551  62.692   18.972  49.875   16.737  34.399  5.7937 30.618  5.7495 3.781628       8.162288  
1 1 1 11  23  20 o 64.332  3.5729 208.866  22.598  203.217  24.442  242.132  59.315  63.307  3.9309 65.273  9.4841 -1.965443      10.26648  
1 1 1 11  23  21 o 20.618  1.3347 21.127   2.7016  14.455   3.8940  27.319   3.7512  16.869  2.4069 23.421  1.6329 -6.551254      2.908515  
1 1 1 11  23  22 o 56.239  2.8620 158.732  15.835  159.315  24.137  158.291  20.980  55.706  4.4263 55.795  3.8328 -0.8878708E-01 5.855166  
1 1 1 11  23  23 o 31.426  1.2758 48.893   3.9574  35.276   5.6450  62.053   5.5495  26.527  2.1751 35.373  1.5895 -8.845140      2.693957  
1 1 1 11  24  7  o 22.125  4.7540 25.811   10.072  20.807   14.771  30.160   13.771  20.107  6.5157 23.700  5.9077 -3.593283      8.795153  
1 1 1 11  24  8  o 35.337  1.9018 62.105   6.6089  92.433   23.172  59.420   6.8953  42.019  5.7370 34.544  2.0313 7.475243       6.086021  
1 1 1 11  24  9  o 24.905  7.7624 33.331   21.140  35.487   28.455  30.675   31.584  26.096  9.0489 25.363  9.4377 0.7335377      13.07489  
1 1 1 11  24  10 o 103.294 2.6621 531.505  27.142  597.288  93.785  525.491  28.355  104.031 9.2293 102.658 2.7984 1.373085       9.644235  
1 1 1 11  24  11 o 31.618  4.2231 51.327   12.850  49.917   22.628  51.998   15.612  30.104  7.6111 31.528  5.1979 -1.423241      9.216664  
1 1 1 11  24  12 o 50.550  1.7352 126.620  8.6575  114.247  20.571  129.283  9.5438  47.291  4.4598 51.059  1.8937 -3.768082      4.845174  
1 1 1 11  24  13 o 24.522  5.2393 31.870   12.296  39.902   18.604  25.639   16.385  27.051  6.9351 22.022  6.8290 5.029520       9.732960  
1 1 1 11  24  14 o 44.392  3.1941 99.136   13.902  100.213  20.698  98.252   18.764  44.106  4.8337 43.825  4.3970 0.2805405      6.534398  
1 1 1 11  24  15 o 31.374  1.0045 48.650   3.1107  51.226   3.8784  44.003   5.2085  32.183  1.2209 29.739  1.7826 2.443960       2.160649  
1 1 1 11  24  16 o 51.129  2.0787 129.845  10.491  147.430  31.739  127.688  11.115  52.869  6.1998 50.680  2.2221 2.189072       6.586003  
1 1 1 11  24  17 o 28.445  7.8443 45.171   22.737  64.490   34.124  29.747   30.490  33.247  9.7594 24.780  9.2626 8.466631       13.45519  
1 1 1 11  24  18 o 55.487  1.5366 152.521  8.4155  163.594  12.145  142.293  11.672  57.364  2.1449 53.487  2.2109 3.877071       3.080404  
1 1 1 11  24  19 o 77.740  2.4009 301.159  18.423  303.056  28.253  299.756  24.299  77.477  3.6946 77.277  3.1857 0.1997757      4.878393  
1 1 1 11  24  20 o 34.699  1.4127 59.633   4.8383  69.419   6.9752  50.559   6.7168  37.337  1.8990 31.805  2.1523 5.532469       2.870257  
1 1 1 11  24  21 o 32.466  1.6497 52.423   5.2689  44.519   19.390  53.054   5.4750  28.215  6.9967 32.652  1.7047 -4.436956      7.201346  
1 1 1 11  25  10 o 65.010  2.3587 210.458  15.135  210.930  23.064  210.102  20.058  64.592  3.6323 64.731  3.1394 -0.1396332     4.801001  
1 1 1 11  25  11 o 27.351  1.6859 37.226   4.5291  39.535   29.102  37.169   4.5850  26.870  9.1578 27.327  1.7085 -0.4563084     9.315816  
1 1 1 11  25  12 o 80.985  2.2674 326.349  18.125  329.112  27.029  324.092  24.432  80.922  3.3840 80.428  3.0777 0.4939804      4.574183  
1 1 1 11  25  13 o 62.090  2.0259 191.526  12.416  219.066  24.187  181.674  14.467  65.784  3.7405 60.385  2.4273 5.398739       4.459091  
1 1 1 11  25  14 o 45.790  3.2442 105.770  14.568  111.888  21.745  100.789  19.622  46.518  4.8051 44.229  4.5602 2.289043       6.624478  
1 1 1 11  25  15 o 40.382  8.0507 91.563   30.963  88.076   42.850  95.372   44.791  37.877  10.884 39.292  11.074 -1.414154      15.52727  
1 1 1 11  25  16 o 77.612  6.7359 322.614  51.090  330.872  72.091  314.282  72.413  75.326  9.9390 72.951  10.347 2.374817       14.34698  
1 1 1 11  25  17 o 29.374  1.2584 42.706   3.6485  38.776   5.2249  46.447   5.0970  27.874  1.9106 30.552  1.6969 -2.677912      2.555408  
1 1 1 11  25  18 o 50.739  1.3662 127.505  6.8423  122.710  11.876  129.888  8.3712  49.586  2.4265 51.168  1.6575 -1.581467      2.938594  
1 1 1 11  25  19 f 72.046  1.8486 257.938  13.146  261.830  19.568  254.738  17.746  72.290  2.7425 71.388  2.5185 0.9018936      3.723460  
1 1 1 12  -18 0  o 48.912  1.6229 118.560  7.8351  118.786  8.8155  117.707  17.095  48.931  1.8253 48.212  3.6188 0.7194176      4.053040  
1 1 1 12  -18 1  o 41.244  8.0309 94.967   31.517  94.570   44.143  95.379   45.015  39.365  10.958 39.447  11.096 -0.8259964E-01 15.59465  
1 1 1 12  -17 0  o 56.682  1.7245 159.180  9.6482  142.559  17.255  166.740  11.637  53.270  3.2980 57.969  2.0339 -4.699059      3.874729  
1 1 1 12  -17 1  f 22.535  8.6624 21.264   27.107  0.0000   0.0000  21.264   27.107  ?       ?      22.535  8.6624 0.000000       8.662413  
1 1 1 12  -17 2  o 55.835  7.2176 166.591  38.846  171.073  54.992  162.128  54.880  54.321  10.637 52.636  10.921 1.685238       15.24540  
1 1 1 12  -17 3  o 65.950  6.8350 230.210  43.847  216.183  61.670  244.548  62.352  61.166  10.599 65.688  9.9265 -4.521805      14.52144  
1 1 1 12  -17 4  o 48.415  7.1682 126.107  33.220  113.777  46.278  139.214  47.715  43.794  10.779 48.992  10.199 -5.198772      14.83905  
1 1 1 12  -16 0  o 38.649  8.0111 81.519   29.557  65.941   42.049  96.735   41.556  34.120  10.987 41.125  10.269 -7.004475      15.03869  
1 1 1 12  -16 1  o 77.335  6.7248 312.341  50.821  315.894  72.333  308.876  71.418  75.420  9.9604 74.577  9.9505 0.8427582      14.07910  
1 1 1 12  -16 2  o 16.229  1.2382 13.096   1.9685  12.982   1.9875  18.981   14.254  16.156  1.2563 19.464  6.4056 -3.307840      6.527667  
1 1 1 12  -16 3  o 95.835  1.7295 454.822  16.360  467.974  23.135  441.668  23.138  97.054  2.4150 94.267  2.4867 2.786148       3.466416  
1 1 1 12  -16 4  o 90.482  1.8350 405.622  16.388  391.752  22.102  422.557  24.423  88.767  2.5226 92.146  2.6853 -3.379013      3.684319  
1 1 1 12  -16 5  o 40.361  1.6680 80.660   6.6449  76.421   7.4864  96.404   14.426  39.263  1.9318 43.778  3.3643 -4.514763      3.879474  
1 1 1 12  -16 6  o 41.008  1.1511 83.130   4.6591  76.539   7.6778  86.972   5.8618  39.234  1.9891 41.927  1.4165 -2.692772      2.441915  
1 1 1 12  -15 0  o 69.149  1.3228 236.363  9.0285  234.740  12.024  238.460  13.670  68.867  1.7690 69.383  1.9961 -0.5158539     2.667115  
1 1 1 12  -15 1  o 92.714  1.7907 425.509  16.388  431.509  22.762  419.053  23.613  93.238  2.4733 91.854  2.6045 1.384346       3.591720  
1 1 1 12  -15 2  o 105.815 1.8810 554.472  19.646  568.972  27.225  538.717  28.379  107.030 2.5771 104.096 2.7620 2.933868       3.777586  
1 1 1 12  -15 3  o 79.886  1.6275 315.781  12.833  321.737  20.405  311.884  16.506  80.479  2.5688 79.322  2.1082 1.157852       3.323152  
1 1 1 12  -15 4  o 20.105  1.2517 20.057   2.4716  12.136   3.4194  28.724   3.5766  15.473  2.3097 24.050  1.5144 -8.577139      2.761953  
1 1 1 12  -15 5  o 42.084  1.2825 87.553   5.3272  90.847   7.5573  84.300   7.5105  42.834  1.7875 41.257  1.8443 1.576675       2.568367  
1 1 1 12  -15 6  o 71.602  1.4530 253.578  10.269  265.171  15.764  245.033  13.535  73.119  2.1843 70.323  1.9500 2.795715       2.928072  
1 1 1 12  -15 7  o 108.388 1.8810 582.013  20.123  539.431  27.979  627.641  28.963  104.129 2.7222 112.357 2.6116 -8.227394      3.772421  
1 1 1 12  -15 8  o 53.205  1.5640 140.099  8.2132  143.620  9.8468  132.048  14.890  53.839  1.8530 51.387  2.9479 2.451748       3.481895  
1 1 1 12  -14 0  o 40.212  1.1830 79.883   4.6953  85.127   6.4731  74.060   6.8209  41.495  1.5805 38.694  1.7859 2.800758       2.384825  
1 1 1 12  -14 1  o 158.121 2.5355 1239.70  39.571  1261.67  55.981  1217.75  55.943  159.154 3.5636 156.334 3.6255 2.820145       5.083653  
1 1 1 12  -14 2  o 178.756 2.7289 1585.82  48.148  1578.41  69.973  1592.48  66.355  177.775 3.9877 178.682 3.7623 -0.9069214     5.482450  
1 1 1 12  -14 3  o 59.982  1.6385 177.937  9.7009  183.336  15.895  174.733  12.246  60.782  2.6495 59.400  2.0887 1.381271       3.373768  
1 1 1 12  -14 4  o 118.443 1.8759 694.377  21.931  666.846  30.682  723.133  31.358  115.895 2.6822 120.701 2.6321 -4.805397      3.757936  
1 1 1 12  -14 5  o 72.694  2.0558 261.762  14.751  268.042  17.497  246.331  27.427  73.510  2.4115 70.055  3.9829 3.454445       4.656038  
1 1 1 12  -14 6  o 19.485  1.4400 18.875   2.7499  19.013   2.8311  16.579   11.564  19.553  1.4778 18.156  5.7530 1.396606       5.939784  
1 1 1 12  -14 7  o 62.740  1.5626 194.714  9.6769  194.204  15.471  195.042  12.402  62.545  2.5061 62.747  2.0026 -0.2017250     3.207897  
1 1 1 12  -14 8  o 74.841  1.5558 277.076  11.493  274.532  16.401  279.529  16.109  74.405  2.2332 75.088  2.1735 -0.6836166     3.116313  
1 1 1 12  -14 9  o 27.685  1.3108 37.892   3.5819  30.721   10.875  38.764   3.7936  24.287  4.7065 27.999  1.3727 -3.712505      4.902609  
1 1 1 12  -14 10 o 32.289  7.9942 57.096   25.343  48.647   36.116  65.290   35.569  30.121  10.202 34.055  9.9546 -3.934502      14.25406  
1 1 1 12  -13 0  o 92.545  1.7166 423.371  15.680  440.618  22.507  407.105  21.858  94.334  2.4172 90.673  2.4422 3.661423       3.436207  
1 1 1 12  -13 1  o 87.771  1.8659 380.944  16.165  368.210  22.715  394.009  23.009  86.203  2.6697 89.179  2.6140 -2.976288      3.736333  
1 1 1 12  -13 2  o 113.985 1.8906 642.536  21.270  632.229  29.990  652.968  30.172  112.947 2.6901 114.789 2.6630 -1.842285      3.785297  
1 1 1 12  -13 3  o 91.530  1.5986 414.092  14.442  402.059  20.683  425.541  20.174  90.112  2.3254 92.722  2.2043 -2.609505      3.204174  
1 1 1 12  -13 4  o 62.335  1.5346 192.053  9.4418  185.543  11.636  204.599  16.155  61.243  1.9250 64.254  2.5472 -3.011143      3.192765  
1 1 1 12  -13 5  o 58.857  1.5642 171.249  9.0872  168.427  11.194  176.702  15.561  58.343  1.9439 59.694  2.6410 -1.350815      3.279278  
1 1 1 12  -13 6  o 12.215  1.1960 7.4423   1.4235  9.4119   1.9520  5.2046   2.0806  13.721  1.4639 10.061  2.1598 3.660609       2.609132  
1 1 1 12  -13 7  o 37.898  0.9257 70.930   3.4626  71.325   4.9044  70.538   4.8895  37.990  1.3079 37.780  1.3112 0.2103767      1.851991  
1 1 1 12  -13 8  o 73.047  1.7396 264.016  12.543  257.867  17.896  269.951  17.584  72.091  2.5151 73.776  2.4147 -1.685287      3.486604  
1 1 1 12  -13 9  o 68.959  1.7185 235.297  11.697  254.886  16.779  216.776  16.315  71.688  2.3713 66.094  2.5009 5.594467       3.446378  
1 1 1 12  -13 10 o 19.669  1.3927 19.222   2.6863  14.733   11.410  19.485   2.7640  17.363  5.7319 19.801  1.4237 -2.437719      5.906099  
1 1 1 12  -13 11 o 11.847  4.3421 5.7108   6.6415  6.9990   8.8996  4.0915   9.9776  13.403  5.0053 12.818  5.1528 0.5851698      7.183619  
1 1 1 12  -12 0  o 25.880  3.6863 33.912   9.1504  40.086   12.837  27.535   13.046  27.970  4.8243 23.007  5.7587 4.962996       7.512398  
1 1 1 12  -12 1  o 116.123 2.0026 666.680  22.953  680.021  38.905  659.557  28.428  117.088 3.3664 115.444 2.4948 1.644112       4.190074  
1 1 1 12  -12 2  o 44.232  2.3507 97.068   10.226  94.030   14.397  100.160  14.526  43.407  3.3872 44.818  3.3071 -1.411743      4.733878  
1 1 1 12  -12 3  o 41.551  2.6206 85.818   10.693  81.181   13.626  93.253   17.252  40.299  3.4591 43.108  4.1041 -2.809307      5.367444  
1 1 1 12  -12 4  o 37.914  2.5209 71.476   9.3799  67.422   13.122  75.712   13.414  36.659  3.6759 38.891  3.5329 -2.231796      5.098422  
1 1 1 12  -12 5  o 103.156 1.7745 526.040  18.068  532.688  25.621  519.462  25.483  103.721 2.5026 102.423 2.5207 1.298195       3.552080  
1 1 1 12  -12 6  o 44.910  2.0923 99.789   9.2750  106.323  13.610  94.123   12.674  46.200  3.0008 43.461  2.9722 2.738857       4.223595  
1 1 1 12  -12 7  f 51.422  1.9297 130.802  9.7941  130.522  14.047  131.068  13.663  51.227  2.7886 51.346  2.7055 -0.1189117     3.885385  
1 1 1 12  -12 8  o 94.996  1.6819 446.246  15.770  469.232  22.304  423.268  22.300  97.325  2.3218 92.417  2.4447 4.908417       3.371560  
1 1 1 12  -12 9  o 102.690 1.7253 521.615  17.487  533.463  25.276  510.738  24.220  103.727 2.4688 101.503 2.4174 2.223663       3.455272  
1 1 1 12  -12 10 o 28.318  2.8129 40.216   7.7585  49.955   11.007  30.601   10.937  31.449  3.6115 24.282  4.7335 7.167032       5.953896  
1 1 1 12  -12 11 o 52.778  1.4530 137.714  7.5691  152.233  21.051  135.559  8.1115  55.055  3.8991 52.356  1.5697 2.699841       4.203225  
1 1 1 12  -12 12 o 41.771  1.2486 86.232   5.1481  83.826   5.6052  99.204   13.016  41.178  1.3791 44.560  2.9764 -3.382114      3.280414  
1 1 1 12  -11 0  o 92.225  1.6449 420.185  14.974  414.942  21.177  425.427  21.175  91.601  2.3423 92.753  2.3129 -1.152481      3.291783  
1 1 1 12  -11 1  o 109.266 1.8603 589.971  20.064  605.157  28.363  574.762  28.385  110.596 2.5982 107.775 2.6683 2.820557       3.724364  
1 1 1 12  -11 2  o 97.843  2.3651 473.444  22.841  583.735  88.681  465.608  23.638  107.026 8.4638 97.021  2.4684 10.00539       8.816434  
1 1 1 12  -11 3  o 42.120  1.2333 87.607   5.1273  74.488   7.2497  100.737  7.2525  38.824  1.8919 45.157  1.6272 -6.333401      2.495368  
1 1 1 12  -11 4  o 53.113  1.1303 139.292  5.9258  121.978  9.4076  150.680  7.6296  49.679  1.9185 55.234  1.3995 -5.555233      2.374717  
1 1 1 12  -11 5  o 63.090  1.3542 196.589  8.4329  206.764  14.465  191.349  10.379  64.658  2.2665 62.231  1.6898 2.427521       2.827050  
1 1 1 12  -11 6  o 90.762  2.3188 407.526  20.773  439.233  29.374  375.803  29.381  94.130  3.1616 87.036  3.4201 7.094551       4.657566  
1 1 1 12  -11 7  o 92.480  2.4490 423.322  22.355  436.582  32.982  412.054  30.404  93.764  3.5637 91.120  3.3805 2.643768       4.911990  
1 1 1 12  -11 8  o 29.309  3.6851 43.363   10.425  39.979   13.630  48.134   16.182  27.836  5.1506 30.518  5.5776 -2.681913      7.592001  
1 1 1 12  -11 9  o 79.216  2.2157 310.623  17.324  297.070  22.140  332.028  27.824  77.386  2.8985 81.726  3.4493 -4.339638      4.505423  
1 1 1 12  -11 10 o 46.636  1.4372 107.488  6.6155  117.194  12.006  103.256  7.9273  48.561  2.5135 45.693  1.7577 2.868233       3.067159  
1 1 1 12  -11 11 o 96.975  1.7214 465.145  16.477  455.653  23.056  475.055  23.557  95.874  2.4364 97.894  2.4380 -2.019630      3.446732  
1 1 1 12  -11 12 o 71.034  2.0381 249.832  14.290  194.656  60.653  253.075  14.704  59.482  10.725 71.488  2.0838 -12.00566      10.92581  
1 1 1 12  -11 13 o 131.572 2.2755 858.038  29.551  829.512  36.734  910.361  49.750  129.200 2.8805 135.035 3.7326 -5.834930      4.714849  
1 1 1 12  -11 14 o 129.236 6.6897 860.455  85.042  850.894  120.107 870.067  120.428 125.591 9.7657 127.106 9.6716 -1.515114      13.74444  
1 1 1 12  -10 0  o 163.118 6.7599 1332.62  108.837 1373.94  154.139 1291.54  153.698 164.183 9.5528 159.014 9.8410 5.169098       13.71505  
1 1 1 12  -10 1  o 132.060 6.5001 872.421  84.728  879.003  119.913 865.859  119.734 131.332 9.3108 130.315 9.3713 1.016739       13.21029  
1 1 1 12  -10 2  o 81.900  6.3851 337.333  51.208  346.968  72.610  327.799  72.230  82.298  9.0904 79.887  9.3364 2.411034       13.03083  
1 1 1 12  -10 3  o 18.341  6.8520 12.806   16.681  7.3581   22.485  19.474   24.877  18.892  7.6851 22.407  8.3684 -3.515015      11.36180  
1 1 1 12  -10 4  o 52.725  6.6813 141.334  33.990  149.312  47.877  133.225  48.264  53.503  9.4096 50.293  10.074 3.209526       13.78480  
1 1 1 12  -10 5  o 45.915  6.9496 108.016  30.510  106.349  43.280  109.664  43.018  44.822  10.033 45.566  9.8517 -0.7440300     14.06121  
1 1 1 12  -10 6  o 66.538  6.4168 223.685  41.620  217.408  58.858  229.963  58.862  64.713  9.4973 66.691  9.1857 -1.977959      13.21274  
1 1 1 12  -10 7  o 41.957  7.0240 90.785   28.060  100.465  40.173  81.564   39.211  43.553  9.6035 39.162  10.083 4.390610       13.92486  
1 1 1 12  -10 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -10 9  o 164.740 6.8125 1369.04  110.775 1359.90  156.636 1378.19  156.682 162.038 9.8401 163.179 9.7730 -1.141205      13.86865  
1 1 1 12  -10 10 o 155.610 6.7426 1224.50  103.562 1225.41  146.473 1223.59  146.445 153.430 9.7222 153.311 9.7280 0.1192322      13.75336  
1 1 1 12  -10 11 o 13.066  5.6497 -1.3438  13.364  7.6514   19.025  -10.1058 18.777  17.616  7.1035 13.939  6.3192 3.676353       9.507424  
1 1 1 12  -10 12 o 45.354  6.9714 107.105  30.209  123.415  42.810  90.927   42.635  47.850  9.3996 40.631  10.541 7.218578       14.12307  
1 1 1 12  -10 13 o 112.891 6.5361 650.833  72.518  690.165  102.437 611.317  102.676 114.462 9.1433 107.180 9.8146 7.282364       13.41365  
1 1 1 12  -10 14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -10 15 o 83.757  1.8855 347.288  15.588  316.372  26.670  363.326  19.210  79.668  3.3917 85.609  2.2734 -5.941696      4.083084  
1 1 1 12  -9  0  o 50.595  6.8192 130.248  33.187  131.164  47.037  129.341  46.830  50.035  9.8750 49.672  9.8991 0.3622437      13.98242  
1 1 1 12  -9  1  o 316.700 8.7076 5058.22  272.196 5067.29  385.046 5049.15  384.842 313.507 12.443 312.928 12.460 0.5792542      17.60895  
1 1 1 12  -9  2  o 161.036 2.9284 1282.98  46.546  1338.81  66.383  1228.99  65.282  164.310 4.0932 157.406 4.2018 6.903214       5.865983  
1 1 1 12  -9  3  o 40.534  1.8977 81.170   7.5924  83.049   10.452  79.072   11.047  40.900  2.6026 39.882  2.8246 1.017216       3.840847  
1 1 1 12  -9  4  o 226.138 7.4366 2564.52  165.990 2505.68  234.641 2623.46  234.849 221.634 10.726 226.948 10.484 -5.313492      14.99870  
1 1 1 12  -9  5  o 67.085  1.4446 222.243  9.5653  218.903  12.790  226.484  14.409  66.562  1.9467 67.697  2.1565 -1.134079      2.905168  
1 1 1 12  -9  6  o 185.957 2.4992 1709.86  45.872  1747.01  64.936  1672.86  64.811  187.793 3.5032 183.751 3.5734 4.042877       5.004219  
1 1 1 12  -9  7  o 89.729  1.7385 397.732  15.397  396.994  25.907  398.134  19.146  89.566  2.9305 89.751  2.1612 -0.1849289     3.641245  
1 1 1 12  -9  8  o 52.005  1.1564 133.533  5.9357  134.221  8.6071  132.908  8.1967  52.125  1.6729 51.872  1.6009 0.2533798      2.315513  
1 1 1 12  -9  9  o 80.361  1.4669 318.969  11.636  324.400  16.334  313.372  16.580  81.012  2.0427 79.618  2.1098 1.393097       2.936622  
1 1 1 12  -9  10 o 48.721  2.0360 117.354  9.7909  0.0000   0.0000  117.354  9.7909  ?       ?      48.721  2.0360 0.000000       2.036007  
1 1 1 12  -9  11 o 50.422  6.7132 130.337  32.580  125.318  46.066  135.359  46.084  48.428  9.9694 50.500  9.5963 -2.071957      13.83762  
1 1 1 12  -9  12 o 129.838 6.5735 854.588  83.968  815.332  118.623 894.009  118.874 124.893 9.6988 131.140 9.2428 -6.246887      13.39764  
1 1 1 12  -9  13 o 90.524  6.4480 417.310  57.237  406.530  80.477  428.343  81.422  87.831  9.4307 90.272  9.2697 -2.441093      13.22366  
1 1 1 12  -9  14 o 95.492  6.3894 464.879  59.875  453.004  84.111  477.077  85.252  92.621  9.3273 95.158  9.1911 -2.536491      13.09485  
1 1 1 12  -9  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -9  16 o 137.158 7.8573 978.756  105.929 978.983  129.573 978.300  183.938 135.307 9.7677 129.300 14.672 6.006943       17.62625  
1 1 1 12  -8  0  o 113.023 1.6688 630.904  18.617  629.150  26.247  632.681  26.409  112.825 2.3569 113.140 2.3649 -0.3156433     3.338804  
1 1 1 12  -8  1  o 173.605 2.7232 1490.31  46.663  1510.18  66.000  1470.45  65.983  174.591 3.8299 172.270 3.8805 2.320923       5.452172  
1 1 1 12  -8  2  o 45.510  1.4419 102.271  6.4769  94.221   7.9146  118.592  11.269  43.675  1.8360 48.985  2.3308 -5.310581      2.967043  
1 1 1 12  -8  3  o 83.594  1.5586 345.090  12.860  351.486  17.845  338.179  18.550  84.341  2.1436 82.723  2.2718 1.618111       3.123471  
1 1 1 12  -8  4  o 108.144 1.8420 577.693  19.662  566.716  27.241  589.633  28.410  107.066 2.5777 109.205 2.6357 -2.139038      3.686662  
1 1 1 12  -8  5  o 84.831  2.9445 355.971  24.655  342.973  25.962  475.404  78.695  83.253  3.1594 96.923  8.3062 -13.67004      8.886751  
1 1 1 12  -8  6  o 44.268  1.6252 96.784   7.1014  101.711  9.8290  91.402   10.272  45.368  2.1950 42.932  2.4339 2.435543       3.277489  
1 1 1 12  -8  7  o 123.367 1.9119 751.873  23.281  751.821  32.463  751.927  33.406  123.302 2.6674 123.304 2.7448 -0.1373291E-02 3.827405  
1 1 1 12  -8  8  o 42.374  0.9320 88.638   3.8982  90.723   5.5100  86.549   5.5159  42.865  1.3023 41.866  1.3348 0.9982224      1.864873  
1 1 1 12  -8  9  f 44.893  1.3324 99.516   5.9040  88.364   9.7308  106.014  7.4273  42.213  2.3447 46.329  1.6242 -4.115986      2.852323  
1 1 1 12  -8  10 o 77.122  1.4406 293.747  10.967  279.105  15.208  309.610  15.829  75.148  2.0503 79.150  2.0261 -4.001465      2.882531  
1 1 1 12  -8  11 o 139.188 2.0245 957.641  27.814  980.895  39.452  934.661  39.218  140.758 2.8396 137.393 2.8920 3.365417       4.053004  
1 1 1 12  -8  12 o 89.397  1.5801 394.860  13.943  384.692  19.717  405.030  19.719  88.186  2.2652 90.492  2.2077 -2.306351      3.163123  
1 1 1 12  -8  13 o 13.824  1.5675 9.5645   2.1010  15.805   7.8539  9.0835   2.1805  17.475  4.5195 13.453  1.6787 4.022441       4.821227  
1 1 1 12  -8  14 o 19.257  5.3446 19.182   10.518  21.024   11.570  10.416   25.240  20.147  5.6106 20.244  8.1752 -0.9653854E-01 9.915294  
1 1 1 12  -8  15 o 24.108  7.2836 30.051   18.795  25.278   26.468  34.905   26.694  23.891  8.6816 26.396  8.7698 -2.505251      12.34021  
1 1 1 12  -8  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -8  17 o 86.584  7.7389 390.429  65.441  394.634  80.435  382.195  112.548 85.833  9.6621 80.572  14.693 5.261337       17.58568  
1 1 1 12  -7  0  o 53.584  1.2211 141.753  6.4582  140.728  9.0610  142.811  9.2072  53.380  1.7198 53.773  1.7347 -0.3933182     2.442690  
1 1 1 12  -7  1  o 85.177  1.5262 358.257  12.831  373.785  18.046  342.379  18.248  86.981  2.1019 83.241  2.2210 3.739586       3.057921  
1 1 1 12  -7  2  f 45.501  1.1330 102.206  5.0883  104.874  7.2606  99.631   7.1330  46.084  1.5962 44.917  1.6089 1.166897       2.266396  
1 1 1 12  -7  3  o 58.115  1.3045 166.746  7.4827  173.273  10.354  159.611  10.826  59.231  1.7711 56.844  1.9295 2.387009       2.619092  
1 1 1 12  -7  4  o 160.484 2.4989 1273.00  39.583  1330.92  66.171  1240.72  49.395  163.885 4.0907 158.364 3.1600 5.521317       5.169094  
1 1 1 12  -7  5  o 61.380  1.4651 186.028  8.8759  189.988  12.341  181.786  12.775  62.015  2.0162 60.658  2.1337 1.357006       2.935606  
1 1 1 12  -7  6  o 143.638 3.2178 1020.84  45.621  1020.84  45.621  0.0000   0.0000  143.638 3.2178 ?       ?      0.000000       3.217842  
1 1 1 12  -7  7  o 104.748 1.6821 541.882  17.392  545.495  24.888  538.435  24.313  105.057 2.4001 104.378 2.3599 0.6795120      3.365988  
1 1 1 12  -7  8  o 33.769  1.0816 56.297   3.6050  51.718   5.0679  60.987   5.1291  32.361  1.5866 35.143  1.4787 -2.781956      2.168803  
1 1 1 12  -7  9  f 24.600  2.4759 30.218   5.9302  29.681   8.5322  30.719   8.2481  24.206  3.6877 24.667  3.4848 -0.4609699     5.073754  
1 1 1 12  -7  10 o 48.997  1.3541 118.544  6.5489  112.097  8.2509  129.523  10.766  47.638  1.7548 51.196  2.1306 -3.558083      2.760201  
1 1 1 12  -7  11 o 105.183 1.6890 546.505  17.535  541.048  25.141  551.674  24.470  104.605 2.4350 105.634 2.3469 -1.029327      3.381889  
1 1 1 12  -7  12 o 50.593  1.0842 126.379  5.4140  138.115  7.0333  109.311  8.4817  52.884  1.3474 47.034  1.8270 5.849827       2.270114  
1 1 1 12  -7  13 o 56.754  1.5490 159.127  8.6775  145.351  12.112  173.657  12.439  54.210  2.2635 59.261  2.1265 -5.051434      3.105745  
1 1 1 12  -7  14 o 29.530  1.0192 43.059   2.9707  40.887   4.2554  45.124   4.1489  28.727  1.5060 30.223  1.3908 -1.495649      2.049978  
1 1 1 12  -7  15 o 77.371  1.4820 295.819  11.318  291.699  15.641  300.347  16.397  76.783  2.0638 77.906  2.1324 -1.123085      2.967521  
1 1 1 12  -7  16 o 99.241  6.4231 501.169  62.580  487.772  88.547  514.537  88.455  96.249  9.4422 99.059  9.1502 -2.810165      13.14837  
1 1 1 12  -7  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -7  18 o 58.157  6.6261 174.702  37.357  171.921  53.125  177.423  52.540  56.207  9.9395 57.271  9.6367 -1.064182      13.84413  
1 1 1 12  -6  0  o 224.226 3.3744 2487.87  74.681  2472.51  105.622 2503.24  105.607 223.231 4.7937 224.621 4.7633 -1.390518      6.757840  
1 1 1 12  -6  1  o 97.554  1.5664 469.935  15.082  482.927  21.316  456.911  21.343  98.867  2.1844 96.163  2.2486 2.703079       3.134952  
1 1 1 12  -6  2  o 112.678 1.8198 627.069  20.240  629.906  28.803  624.302  28.447  112.889 2.5849 112.387 2.5644 0.5018921      3.641149  
1 1 1 12  -6  3  o 75.009  1.4276 277.797  10.569  278.466  14.942  277.126  14.953  75.081  2.0162 74.900  2.0225 0.1809921      2.855853  
1 1 1 12  -6  4  o 104.819 1.6630 542.570  17.205  534.488  24.971  549.875  23.739  103.997 2.4326 105.493 2.2799 -1.495033      3.333980  
1 1 1 12  -6  5  o 141.562 2.1815 990.081  30.481  962.947  44.537  1013.99  41.807  139.517 3.2341 143.195 2.9579 -3.678207      4.382802  
1 1 1 12  -6  6  o 250.312 3.3236 3100.12  82.116  3102.83  116.270 3097.42  115.989 250.100 4.7100 249.884 4.7027 0.2161407      6.655743  
1 1 1 12  -6  7  o 139.656 2.8307 964.360  39.019  962.354  41.008  983.551  126.830 139.497 2.9783 139.483 9.2650 0.1347351E-01  9.731947  
1 1 1 12  -6  8  o 88.239  1.5677 384.490  13.654  371.653  19.037  398.089  19.594  86.728  2.2238 89.760  2.2115 -3.032143      3.136284  
1 1 1 12  -6  9  f 60.985  1.2703 183.620  7.6466  174.533  10.305  194.752  11.406  59.446  1.7563 62.792  1.8404 -3.346596      2.543928  
1 1 1 12  -6  10 o 79.325  1.3904 310.701  10.887  312.673  15.399  308.730  15.394  79.557  1.9610 79.053  1.9728 0.5036926      2.781630  
1 1 1 12  -6  11 o 85.969  1.5050 364.974  12.770  342.974  17.661  389.081  18.488  83.311  2.1477 88.736  2.1108 -5.425331      3.011335  
1 1 1 12  -6  12 o 199.018 2.8727 1959.67  56.431  1998.37  76.585  1913.70  83.471  200.769 3.8647 196.362 4.3067 4.407425       5.786488  
1 1 1 12  -6  13 o 51.840  1.5264 132.737  7.8101  132.009  11.160  133.436  10.934  51.676  2.1879 51.956  2.1321 -0.2807159     3.054992  
1 1 1 12  -6  14 o 86.966  1.5680 373.630  13.459  368.124  19.288  378.855  18.790  86.274  2.2650 87.530  2.1749 -1.255684      3.140133  
1 1 1 12  -6  15 o 79.914  1.4808 315.518  11.680  314.954  16.314  316.111  16.731  79.801  2.0712 79.943  2.1203 -0.1422958     2.964021  
1 1 1 12  -6  16 o 51.134  1.2147 129.151  6.1307  118.896  8.5065  140.236  8.8435  49.039  1.7574 53.262  1.6822 -4.223423      2.432757  
1 1 1 12  -6  17 f 73.117  2.0249 264.537  14.614  278.972  22.078  253.280  19.496  74.969  2.9836 71.463  2.7639 3.506569       4.067063  
1 1 1 12  -6  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -5  0  o 193.191 2.6205 1844.74  49.969  1878.86  70.912  1811.09  70.424  194.825 3.6876 191.273 3.7302 3.552444       5.245256  
1 1 1 12  -5  1  o 227.037 3.0041 2548.88  67.319  2573.18  95.346  2524.73  95.063  227.895 4.2387 225.733 4.2666 2.161560       6.014182  
1 1 1 12  -5  2  o 170.993 2.2199 1444.52  37.467  1402.09  52.797  1487.56  53.177  168.370 3.1770 173.433 3.1064 -5.063812      4.443299  
1 1 1 12  -5  3  o 217.245 2.9425 2333.53  63.096  2287.46  88.969  2380.15  89.495  214.883 4.1947 219.205 4.1363 -4.322083      5.891096  
1 1 1 12  -5  4  o 118.651 1.9886 695.375  23.289  691.263  32.932  699.490  32.940  118.249 2.8215 118.952 2.8056 -0.7027130     3.978989  
1 1 1 12  -5  5  o 50.111  1.2202 123.967  6.0353  115.813  8.5187  132.184  8.5519  48.426  1.7822 51.738  1.6747 -3.311810      2.445562  
1 1 1 12  -5  6  o 24.281  0.7815 29.101   1.8730  32.536   3.1292  27.184   2.3380  25.672  1.2350 23.467  1.0094 2.204842       1.594987  
1 1 1 12  -5  7  o 76.501  1.4272 288.955  10.777  293.266  14.938  284.275  15.562  77.054  1.9641 75.859  2.0784 1.194290       2.859650  
1 1 1 12  -5  8  o 74.392  1.4340 273.245  10.530  291.167  14.833  255.040  14.950  76.777  1.9573 71.852  2.1080 4.925713       2.876564  
1 1 1 12  -5  9  o 164.722 2.3598 1340.80  38.368  1306.78  54.447  1374.36  54.076  162.508 3.3944 166.671 3.2871 -4.162735      4.725160  
1 1 1 12  -5  10 o 81.710  1.4812 329.670  11.946  317.517  16.786  342.142  17.005  80.168  2.1214 83.221  2.0702 -3.052803      2.964102  
1 1 1 12  -5  11 o 52.542  1.3279 136.304  6.8867  134.767  10.672  137.401  9.0151  52.228  2.0701 52.745  1.7316 -0.5164871     2.698852  
1 1 1 12  -5  12 o 110.884 1.7069 607.265  18.682  604.080  26.161  610.579  26.687  110.551 2.3975 111.141 2.4327 -0.5906143     3.415528  
1 1 1 12  -5  13 o 160.955 2.1198 1280.23  33.677  1297.70  47.693  1262.87  47.560  161.943 2.9837 159.751 3.0163 2.192642       4.242705  
1 1 1 12  -5  14 o 58.115  1.2517 166.771  7.1801  169.066  9.9231  164.249  10.402  58.500  1.7185 57.657  1.8279 0.8431892      2.508865  
1 1 1 12  -5  15 o 22.196  1.1931 24.398   2.6042  25.508   2.7721  16.064   7.5984  22.693  1.2423 17.628  4.3850 5.064980       4.557596  
1 1 1 12  -5  16 o 78.005  1.4892 300.622  11.466  307.990  16.263  293.340  16.167  78.913  2.0879 77.010  2.1270 1.902779       2.980488  
1 1 1 12  -5  17 o 29.729  1.9571 43.905   5.7108  46.302   8.1620  41.606   7.9932  30.441  2.7460 28.829  2.8462 1.611959       3.954937  
1 1 1 12  -5  18 o 55.616  6.6011 158.881  35.529  153.936  49.623  164.082  50.893  53.556  9.7465 55.368  9.6640 -1.812004      13.72542  
1 1 1 12  -5  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -4  0  o 63.664  1.3881 200.106  8.7225  210.398  12.316  189.748  12.356  65.268  1.9117 61.980  2.0196 3.288486       2.780940  
1 1 1 12  -4  1  o 105.918 1.5445 553.932  16.147  552.832  22.868  555.026  22.802  105.786 2.1901 105.996 2.1795 -0.2101288     3.089781  
1 1 1 12  -4  2  o 205.091 2.8373 2079.28  57.437  2104.00  83.050  2056.63  79.520  206.124 4.0820 203.812 3.9529 2.311890       5.682270  
1 1 1 12  -4  3  o 68.937  1.2748 234.616  8.6741  236.417  12.245  232.802  12.289  69.190  1.7930 68.659  1.8134 0.5315552      2.550162  
1 1 1 12  -4  4  o 67.457  1.3080 224.655  8.7089  222.956  11.938  226.587  12.734  67.191  1.8000 67.734  1.9046 -0.5423279     2.620600  
1 1 1 12  -4  5  o 218.268 2.7996 2354.95  60.315  2327.04  81.865  2388.09  89.202  216.819 3.8253 219.593 4.1155 -2.773865      5.618749  
1 1 1 12  -4  6  o 338.898 3.9441 5686.42  131.933 5598.01  186.475 5775.04  186.687 335.695 5.6279 340.993 5.5467 -5.298370      7.901809  
1 1 1 12  -4  7  o 85.584  1.5032 361.656  12.698  328.229  17.794  396.344  18.127  81.511  2.2117 89.576  2.0502 -8.065674      3.015770  
1 1 1 12  -4  8  o 37.666  1.1446 70.037   4.2555  52.559   31.688  70.358   4.2944  32.044  9.4041 37.752  1.1524 -5.708385      9.474411  
1 1 1 12  -4  9  o 135.409 1.8543 905.566  24.783  878.628  34.705  933.598  35.402  133.329 2.6371 137.438 2.6097 -4.109634      3.710099  
1 1 1 12  -4  10 o 96.182  1.6049 456.815  15.236  430.058  20.989  486.617  22.152  93.296  2.2793 99.242  2.2614 -5.946312      3.210764  
1 1 1 12  -4  11 o 93.251  1.8782 429.502  17.287  413.110  21.025  463.710  30.373  91.434  2.3296 96.820  3.1782 -5.385971      3.940584  
1 1 1 12  -4  12 o 97.729  1.6156 471.652  15.585  452.974  21.906  490.794  22.176  95.742  2.3181 99.662  2.2544 -3.920326      3.233542  
1 1 1 12  -4  13 o 99.125  1.6537 485.263  16.179  487.114  23.517  483.599  22.294  99.274  2.4000 98.923  2.2833 0.3516998      3.312600  
1 1 1 12  -4  14 f 64.468  1.3019 205.217  8.2844  214.047  11.387  195.288  12.075  65.828  1.7526 62.870  1.9458 2.957127       2.618721  
1 1 1 12  -4  15 o 49.687  1.2665 121.909  6.2112  106.480  10.037  131.485  7.9073  46.411  2.1909 51.595  1.5527 -5.183533      2.685338  
1 1 1 12  -4  16 o 110.215 1.8201 600.317  19.801  574.524  28.222  625.320  27.787  107.739 2.6539 112.419 2.5042 -4.679817      3.648880  
1 1 1 12  -4  17 o 32.974  1.7907 53.904   5.8062  50.278   8.0973  57.741   8.3301  31.758  2.6061 34.061  2.4951 -2.303043      3.607980  
1 1 1 12  -4  18 o 76.085  1.9736 286.345  14.821  327.142  67.172  284.258  15.196  79.245  8.7329 75.802  2.0310 3.443558       8.965936  
1 1 1 12  -4  19 o 64.342  6.4717 211.676  40.543  225.014  57.985  198.919  56.708  65.226  9.2673 61.054  9.7374 4.172569       13.44241  
1 1 1 12  -4  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  -3  0  o 59.300  1.3788 173.613  8.0705  160.224  11.001  189.216  11.876  56.957  1.9569 61.896  1.9439 -4.939262      2.758249  
1 1 1 12  -3  1  o 127.915 1.9634 808.121  24.789  809.348  35.681  806.976  34.464  127.960 2.8251 127.779 2.7326 0.1811447      3.930392  
1 1 1 12  -3  2  o 142.055 1.9700 996.661  27.622  966.125  38.862  1027.84  39.269  139.807 2.8162 144.208 2.7588 -4.400726      3.942374  
1 1 1 12  -3  3  o 161.885 2.2108 1294.58  35.326  1293.08  49.853  1296.09  50.064  161.715 3.1232 161.902 3.1328 -0.1875153     4.423728  
1 1 1 12  -3  4  f 42.825  1.5393 90.552   6.5066  96.011   9.0745  84.775   9.3344  44.088  2.0853 41.361  2.2955 2.727226       3.101218  
1 1 1 12  -3  5  o 228.739 3.4129 2588.05  77.055  2595.51  108.724 2580.52  109.222 228.812 4.8141 228.142 4.8503 0.6693115      6.833825  
1 1 1 12  -3  6  o 162.712 2.3702 1308.05  38.066  1287.74  52.103  1331.29  55.749  161.363 3.2713 164.050 3.4429 -2.686966      4.749266  
1 1 1 12  -3  7  o 109.771 1.6550 595.005  17.931  598.182  25.147  591.718  25.576  110.035 2.3154 109.437 2.3677 0.5988159      3.311689  
1 1 1 12  -3  8  o 179.032 2.2746 1583.52  40.195  1547.73  56.614  1619.88  57.077  176.903 3.2423 180.984 3.1951 -4.081787      4.552085  
1 1 1 12  -3  9  o 176.809 3.5033 1546.72  61.138  1390.20  163.511 1572.16  65.919  165.830 10.037 178.224 3.7472 -12.39365      10.71360  
1 1 1 12  -3  10 o 70.472  1.3418 245.192  9.3336  217.126  13.026  274.811  13.381  66.301  1.9904 74.596  1.8174 -8.294373      2.695274  
1 1 1 12  -3  11 o 311.005 3.7501 4788.11  115.117 4630.34  162.608 4946.63  162.994 305.341 5.3954 315.657 5.2314 -10.31583      7.515193  
1 1 1 12  -3  12 o 219.184 3.3023 2376.77  71.443  2364.61  101.301 2388.81  100.771 218.347 4.7004 219.473 4.6518 -1.125534      6.613100  
1 1 1 12  -3  13 o 68.437  1.6783 231.299  11.337  222.079  19.203  236.232  14.046  67.014  2.9031 69.151  2.0579 -2.137100      3.558506  
1 1 1 12  -3  14 o 134.856 2.0990 898.549  27.939  914.940  40.640  883.859  38.473  135.997 3.0276 133.678 2.9158 2.318436       4.203347  
1 1 1 12  -3  15 o 46.225  1.5387 105.524  7.0203  94.733   9.7865  116.964  10.076  43.720  2.2757 48.651  2.0983 -4.930855      3.095437  
1 1 1 12  -3  16 o 103.622 1.7230 530.461  17.622  542.327  25.734  519.984  24.182  104.715 2.4898 102.544 2.3891 2.171013       3.450649  
1 1 1 12  -3  17 o 116.355 1.8558 669.126  21.313  656.570  29.961  681.988  30.324  115.173 2.6356 117.383 2.6173 -2.210625      3.714350  
1 1 1 12  -3  18 o 117.070 1.8483 677.581  21.357  647.258  29.139  712.780  31.394  114.324 2.5823 119.959 2.6514 -5.635811      3.701095  
1 1 1 12  -3  19 o 151.112 6.7047 1157.25  100.003 1166.92  141.625 1147.63  141.228 149.399 9.6558 148.105 9.7147 1.294052       13.69709  
1 1 1 12  -3  20 o 37.428  7.1128 73.538   25.316  71.469   36.341  75.488   35.288  36.309  9.8778 37.334  9.5405 -1.024975      13.73285  
1 1 1 12  -3  21 o 76.983  9.1556 313.834  68.205  381.719  97.320  248.306  95.615  82.917  12.261 64.628  15.237 18.28923       19.55769  
1 1 1 12  -2  0  o 54.708  1.3203 147.757  7.1296  146.870  9.8533  148.731  10.329  54.535  1.8305 54.878  1.9069 -0.3429184     2.643319  
1 1 1 12  -2  1  o 204.663 2.7171 2070.09  54.889  2115.88  77.817  2024.76  77.433  206.774 3.8128 202.263 3.8786 4.511032       5.438853  
1 1 1 12  -2  2  o 38.344  1.5872 72.594   6.0071  75.709   8.1629  68.915   8.8719  39.093  2.1235 37.269  2.4250 1.823811       3.223278  
1 1 1 12  -2  3  o 136.650 1.9643 922.212  26.494  918.321  37.248  926.196  37.691  136.313 2.7684 136.895 2.7894 -0.5818024     3.930027  
1 1 1 12  -2  4  o 78.543  1.2405 304.537  9.6166  293.232  13.701  315.516  13.501  77.059  1.8013 79.936  1.7112 -2.876755      2.484536  
1 1 1 12  -2  5  o 146.068 2.0770 1053.81  29.945  989.267  42.244  1118.98  42.453  141.461 3.0255 150.464 2.8585 -9.002518      4.162292  
1 1 1 12  -2  6  o 105.212 1.6292 546.575  16.919  559.257  23.948  533.938  23.906  106.400 2.2803 103.962 2.3297 2.438622       3.259974  
1 1 1 12  -2  7  o 96.958  1.7225 464.212  16.484  458.059  23.309  470.368  23.316  96.285  2.4526 97.572  2.4210 -1.286491      3.446218  
1 1 1 12  -2  8  o 95.056  1.4988 446.125  14.063  425.930  19.518  467.924  20.279  92.859  2.1295 97.330  2.1109 -4.470833      2.998463  
1 1 1 12  -2  9  o 165.847 2.1978 1358.74  35.978  1316.68  50.623  1401.66  51.142  163.178 3.1431 168.369 3.0774 -5.190536      4.398758  
1 1 1 12  -2  10 o 214.967 7.1892 2304.52  152.542 2290.80  215.621 2318.27  215.832 213.188 10.247 214.486 10.195 -1.297379      14.45464  
1 1 1 12  -2  11 o 79.218  1.3713 309.828  10.722  300.687  15.156  318.988  15.172  78.024  1.9680 80.366  1.9126 -2.341080      2.744289  
1 1 1 12  -2  12 o 46.477  1.1937 106.640  5.4763  114.226  7.4103  97.511   8.1286  48.097  1.5609 44.434  1.8534 3.662918       2.423132  
1 1 1 12  -2  13 o 99.119  1.7481 485.193  17.102  470.567  24.216  499.746  24.156  97.578  2.5143 100.562 2.4337 -2.984291      3.499229  
1 1 1 12  -2  14 o 154.576 2.5102 1180.98  38.299  1110.37  60.632  1227.86  49.402  149.696 4.1035 157.543 3.1770 -7.847275      5.189603  
1 1 1 12  -2  15 o 133.657 1.9221 882.482  25.357  878.875  35.784  886.120  35.937  133.319 2.7194 133.867 2.7198 -0.5483398     3.846074  
1 1 1 12  -2  16 o 115.657 1.8392 660.830  20.996  662.677  29.310  658.884  30.092  115.763 2.5652 115.424 2.6413 0.3386459      3.681913  
1 1 1 12  -2  17 o 87.955  1.5710 382.128  13.638  388.407  19.325  375.898  19.250  88.636  2.2089 87.195  2.2367 1.440926       3.143589  
1 1 1 12  -2  18 o 74.767  1.5200 276.169  11.217  258.525  15.194  297.308  16.631  72.304  2.1290 77.535  2.1731 -5.230789      3.042206  
1 1 1 12  -2  19 o 20.811  0.9957 21.386   2.0453  21.439   2.0676  18.935   13.975  20.837  1.0053 19.624  6.3355 1.213457       6.414722  
1 1 1 12  -2  20 o 38.575  7.0200 77.787   25.744  72.905   36.841  82.445   35.989  36.710  9.9282 39.087  9.4356 -2.377026      13.69671  
1 1 1 12  -2  21 o 70.090  6.3544 250.788  43.483  259.283  61.417  242.250  61.570  70.105  9.0899 67.534  9.4991 2.570152       13.14761  
1 1 1 12  -1  0  o 196.829 2.3111 1913.88  44.899  1951.34  63.520  1876.46  63.474  198.650 3.2395 194.794 3.3013 3.856018       4.625306  
1 1 1 12  -1  1  o 263.507 3.9004 3436.30  101.445 3433.49  174.509 3437.73  124.675 262.681 6.7306 263.375 4.7959 -0.6941528     8.264496  
1 1 1 12  -1  2  o 38.561  0.9894 73.398   3.7656  83.430   5.2126  62.448   5.4458  41.110  1.2846 35.564  1.5514 5.545620       2.014209  
1 1 1 12  -1  3  o 221.833 2.7967 2431.93  61.236  2404.18  86.400  2459.93  86.802  220.410 3.9714 222.955 3.9444 -2.544876      5.597373  
1 1 1 12  -1  4  f 218.785 3.2973 2366.81  71.206  2322.14  100.700 2411.48  100.700 216.497 4.7124 220.638 4.6240 -4.140961      6.602111  
1 1 1 12  -1  5  f 132.571 2.0472 868.003  26.788  818.526  37.880  917.501  37.887  128.684 2.9823 136.254 2.8172 -7.569611      4.102488  
1 1 1 12  -1  6  o 338.555 4.2957 5675.28  143.549 5565.36  203.089 5785.02  202.931 334.687 6.1477 341.273 6.0244 -6.586517      8.607409  
1 1 1 12  -1  7  o 294.577 3.8147 4293.88  110.914 4275.78  156.965 4311.93  156.749 293.561 5.4172 294.808 5.3868 -1.247284      7.639585  
1 1 1 12  -1  8  o 240.670 3.4516 2864.91  81.992  2807.33  107.873 2943.69  126.175 238.036 4.5913 243.602 5.2476 -5.566147      6.972619  
1 1 1 12  -1  9  o 100.912 1.5938 502.801  15.874  496.826  22.185  509.072  22.725  100.286 2.2412 101.514 2.2680 -1.227242      3.188523  
1 1 1 12  -1  10 o 282.396 3.4312 3944.74  95.640  3854.42  135.153 4035.33  135.357 278.809 4.9112 285.305 4.8066 -6.496185      6.871904  
1 1 1 12  -1  11 o 137.639 3.9413 937.865  53.544  915.069  59.190  1040.55  125.623 135.903 4.4125 143.804 8.8941 -7.901443      9.928499  
1 1 1 12  -1  12 o 178.255 2.6736 1570.46  47.041  1520.09  63.571  1631.42  69.936  175.258 3.6749 181.530 3.9032 -6.271713      5.360922  
1 1 1 12  -1  13 o 112.626 1.7923 626.434  19.924  643.388  27.854  608.668  28.513  114.104 2.4731 110.975 2.6031 3.129318       3.590588  
1 1 1 12  -1  14 o 43.628  1.3221 93.975   5.6935  94.594   7.0305  92.796   9.7050  43.767  1.6274 43.277  2.2800 0.4902954      2.801253  
1 1 1 12  -1  15 o 145.473 2.0706 1045.48  29.731  1039.52  41.887  1051.54  42.206  144.982 2.9271 145.818 2.9325 -0.8352356     4.143344  
1 1 1 12  -1  16 o 213.647 2.9743 2258.03  62.721  2219.26  88.310  2297.49  89.097  211.549 4.2293 215.253 4.1935 -3.704712      5.955884  
1 1 1 12  -1  17 o 73.769  1.5090 268.759  10.987  272.895  15.411  264.483  15.668  74.310  2.1012 73.152  2.1700 1.157631       3.020583  
1 1 1 12  -1  18 o 46.379  1.1347 106.208  5.1945  98.231   7.0130  115.904  7.7317  44.592  1.5934 48.437  1.6172 -3.844845      2.270257  
1 1 1 12  -1  19 o 53.070  1.4662 139.139  7.6805  126.449  9.5286  162.677  12.977  50.574  1.9088 57.341  2.2928 -6.767223      2.983406  
1 1 1 12  -1  20 o 95.510  6.2815 462.166  58.887  396.079  82.870  529.572  83.693  86.755  9.8524 101.237 8.4529 -14.48254      12.98156  
1 1 1 12  -1  21 o 61.230  7.1564 193.243  42.435  226.242  72.750  176.227  52.242  64.127  11.933 57.511  9.5373 6.615242       15.27592  
1 1 1 12  -1  22 o 150.640 2.3641 1124.27  35.151  1117.18  49.342  1131.57  50.089  149.877 3.3354 150.829 3.3645 -0.9518585     4.737616  
1 1 1 12  0   0  o 253.105 7.6793 3195.59  191.847 3133.62  271.249 3257.61  271.378 249.235 11.026 254.223 10.815 -4.987823      15.44476  
1 1 1 12  0   1  o 135.475 6.3399 912.223  84.776  948.811  119.919 875.668  119.865 137.423 8.8885 131.895 9.2660 5.527588       12.83994  
1 1 1 12  0   2  o 261.892 7.7766 3420.13  201.023 3479.50  284.319 3360.78  284.261 262.824 10.960 258.208 11.154 4.615753       15.63720  
1 1 1 12  0   3  o 203.364 7.0255 2058.02  141.022 2106.19  199.473 2009.88  199.397 204.912 9.8624 199.837 10.142 5.074799       14.14682  
1 1 1 12  0   4  o 106.000 6.1387 559.834  63.952  571.764  90.484  547.927  90.401  106.630 8.6723 104.326 8.8629 2.303986       12.40000  
1 1 1 12  0   5  o 52.613  6.0370 139.210  30.783  140.005  43.624  138.421  43.444  52.245  8.7703 51.938  8.7880 0.3072968      12.41558  
1 1 1 12  0   6  o 133.876 1.9878 885.118  26.267  860.344  38.918  905.844  35.597  131.934 2.9885 135.399 2.6636 -3.464767      4.003256  
1 1 1 12  0   7  o 167.213 2.5383 1381.42  41.894  1379.62  59.246  1383.22  59.248  167.010 3.5941 167.229 3.5894 -0.2183990     5.079505  
1 1 1 12  0   8  o 259.701 3.4852 3335.73  89.337  3301.27  126.432 3370.10  126.251 258.068 4.9635 260.758 4.9053 -2.689575      6.978423  
1 1 1 12  0   9  o 170.118 2.3850 1429.75  40.048  1385.03  56.228  1475.80  57.053  167.345 3.4041 172.748 3.3461 -5.402847      4.773266  
1 1 1 12  0   10 o 194.535 2.6777 1870.21  51.416  1829.67  72.483  1911.27  72.945  192.280 3.8192 196.529 3.7604 -4.249054      5.359708  
1 1 1 12  0   11 f 146.017 2.0278 1053.07  29.225  1034.21  41.070  1072.41  41.596  144.645 2.8767 147.293 2.8611 -2.648102      4.057238  
1 1 1 12  0   12 o 145.736 2.9279 1049.98  42.117  1047.17  44.408  1075.13  132.819 145.526 3.0917 146.067 9.2603 -0.5407257     9.762801  
1 1 1 12  0   13 f 221.612 2.8624 2427.87  62.611  2433.11  85.363  2421.76  92.112  221.691 3.9011 221.114 4.2206 0.5771637      5.747335  
1 1 1 12  0   14 f 178.201 2.3059 1569.00  40.559  1556.72  57.386  1581.25  57.333  177.399 3.2774 178.795 3.2487 -1.396240      4.614689  
1 1 1 12  0   15 o 50.001  1.3977 123.441  6.8978  130.405  8.8115  112.418  11.085  51.386  1.7373 47.697  2.3547 3.689087       2.926189  
1 1 1 12  0   16 o 25.378  1.2794 31.879   3.1945  30.444   4.4548  33.397   4.5834  24.759  1.8360 25.941  1.8012 -1.182386      2.572012  
1 1 1 12  0   17 o 55.003  1.6050 149.417  8.7138  151.471  11.897  147.039  12.799  55.363  2.1771 54.540  2.3774 0.8229980      3.223684  
1 1 1 12  0   18 o 69.167  1.3915 236.256  9.5001  213.449  13.180  260.917  13.705  65.719  2.0319 72.666  1.9108 -6.946808      2.789247  
1 1 1 12  0   19 o 101.169 1.7655 505.784  17.630  509.521  24.705  501.907  25.167  101.480 2.4665 100.712 2.5317 0.7679214      3.534580  
1 1 1 12  0   20 o 88.971  6.2434 400.371  54.481  380.334  76.554  420.933  77.550  85.498  9.2173 90.175  8.8261 -4.676758      12.76159  
1 1 1 12  0   21 o 95.938  6.4145 467.354  60.392  471.186  85.149  463.475  85.669  94.956  9.2003 94.086  9.3488 0.8702087      13.11663  
1 1 1 12  0   22 o 125.631 2.0030 780.956  24.838  782.789  34.799  779.053  35.463  125.621 2.8065 125.307 2.8672 0.3141251      4.012186  
1 1 1 12  0   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  1   0  f 68.020  6.9912 232.697  46.269  224.483  56.577  249.288  80.401  66.419  8.8504 69.205  12.217 -2.786575      15.08594  
1 1 1 12  1   1  o 59.583  5.9993 178.051  34.803  180.234  49.203  175.865  49.234  59.453  8.6373 58.686  8.7684 0.7675018      12.30809  
1 1 1 12  1   2  o 43.670  6.0662 96.482   25.442  96.668   35.994  96.295   35.966  43.227  8.7366 43.140  8.7460 0.8691025E-01  12.36202  
1 1 1 12  1   3  o 146.111 6.4043 1060.65  92.361  1092.43  130.648 1028.90  130.589 147.538 9.0148 143.092 9.2965 4.446518       12.94955  
1 1 1 12  1   4  o 148.627 6.4208 1097.41  94.193  1088.43  133.240 1106.39  133.178 147.228 9.2151 148.465 9.1324 -1.236862      12.97381  
1 1 1 12  1   5  f 200.131 6.9447 1991.95  137.183 1961.12  194.014 2022.77  193.998 197.530 9.9834 200.915 9.7825 -3.385742      13.97737  
1 1 1 12  1   6  o 168.306 6.6202 1407.91  109.977 1375.71  155.530 1440.12  155.533 165.474 9.5633 169.383 9.3390 -3.909729      13.36685  
1 1 1 12  1   7  o 99.667  1.9583 490.544  19.265  505.170  26.440  473.992  28.128  101.115 2.6492 97.933  2.9099 3.181717       3.935187  
1 1 1 12  1   8  o 32.253  0.9407 51.346   2.9946  57.850   4.1385  44.198   4.3387  34.233  1.2248 29.920  1.4691 4.312592       1.912713  
1 1 1 12  1   9  o 14.200  3.3064 10.373   4.5478  10.975   5.8454  9.4494   7.2389  14.649  3.9518 14.056  4.5620 0.5922899      6.035567  
1 1 1 12  1   10 o 222.648 3.0808 2450.76  67.705  2357.01  97.672  2537.47  93.936  218.125 4.5366 226.382 4.2040 -8.256821      6.184990  
1 1 1 12  1   11 o 179.705 2.5012 1595.66  44.365  1565.45  62.596  1626.14  62.888  177.887 3.5651 181.309 3.5141 -3.421555      5.005857  
1 1 1 12  1   12 o 201.659 2.5179 2009.45  50.117  2042.00  70.906  1976.95  70.847  203.163 3.5359 199.894 3.5908 3.269440       5.039509  
1 1 1 12  1   13 o 74.676  1.4002 275.317  10.321  273.599  14.963  276.875  14.253  74.426  2.0369 74.873  1.9287 -0.4474487     2.805128  
1 1 1 12  1   14 o 268.142 3.3077 3556.52  87.544  3645.81  123.924 3467.57  123.688 271.190 4.6296 264.450 4.7386 6.740234       6.624797  
1 1 1 12  1   15 o 103.973 1.6486 533.830  16.919  515.812  23.923  551.862  23.931  102.171 2.3722 105.685 2.2942 -3.514252      3.300061  
1 1 1 12  1   16 o 102.879 1.7429 522.716  17.698  523.500  24.265  521.825  25.869  102.924 2.3886 102.749 2.5507 0.1745377      3.494485  
1 1 1 12  1   17 o 141.797 2.0923 993.422  29.283  978.424  40.120  1010.52  42.840  140.650 2.8899 142.922 3.0368 -2.272339      4.192099  
1 1 1 12  1   18 o 133.367 2.0203 878.896  26.594  862.365  36.153  898.388  39.259  132.035 2.7741 134.743 2.9519 -2.708771      4.050837  
1 1 1 12  1   19 o 95.068  1.6552 446.492  15.532  442.254  21.352  451.255  22.634  94.572  2.2875 95.520  2.4007 -0.9481506     3.315955  
1 1 1 12  1   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  1   21 o 73.313  7.4322 276.010  53.039  247.405  90.791  290.829  65.349  66.081  14.332 74.593  9.0619 -8.512032      16.95685  
1 1 1 12  1   22 o 57.271  2.2364 162.377  12.642  160.869  22.734  163.053  15.211  56.655  4.0930 57.350  2.6871 -0.6955070     4.896258  
1 1 1 12  1   23 o 101.238 2.1606 507.452  21.590  524.082  28.524  485.144  33.036  102.769 2.8120 98.756  3.3892 4.012993       4.403856  
1 1 1 12  2   0  o 15.377  0.8687 11.708   1.3130  16.765   1.8462  6.5318   1.8677  18.401  1.0205 11.374  1.7171 7.026767       1.997447  
1 1 1 12  2   1  o 191.320 2.6862 1808.69  50.727  1878.29  84.453  1769.41  63.448  194.764 4.3931 189.161 3.3982 5.603073       5.554056  
1 1 1 12  2   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  2   3  o 224.553 8.4137 2516.92  186.482 2453.01  322.925 2548.89  228.419 218.523 15.064 225.354 10.269 -6.830658      18.23102  
1 1 1 12  2   4  o 141.529 6.3451 994.811  88.638  1011.94  125.380 977.701  125.325 142.018 8.9908 139.545 9.1496 2.472794       12.82767  
1 1 1 12  2   5  f 166.759 6.5871 1381.71  108.421 1404.19  153.348 1359.25  153.314 167.297 9.3237 164.544 9.4800 2.752441       13.29666  
1 1 1 12  2   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  2   7  o 81.683  12.558 344.776  98.004  0.0000   0.0000  344.776  98.004  ?       ?      81.683  12.558 0.000000       12.55782  
1 1 1 12  2   8  o 261.185 4.2143 3376.57  108.644 3326.79  153.318 3426.78  153.975 258.863 6.0005 262.741 5.9373 -3.877594      8.441428  
1 1 1 12  2   9  o 169.623 2.2504 1421.19  37.677  1425.51  53.265  1416.87  53.300  169.807 3.1780 169.291 3.1898 0.5164185      4.502713  
1 1 1 12  2   10 o 105.009 1.6843 544.478  17.457  565.871  24.395  522.023  24.993  107.028 2.3092 102.791 2.4634 4.237152       3.376479  
1 1 1 12  2   11 o 47.922  1.2618 113.369  5.9684  116.032  8.3218  110.549  8.5645  48.475  1.7393 47.314  1.8339 1.160694       2.527515  
1 1 1 12  2   12 o 251.452 3.4141 3127.43  84.734  3174.42  119.923 3080.58  119.742 253.058 4.8012 249.275 4.8667 3.783524       6.836390  
1 1 1 12  2   13 o 140.141 2.2147 970.194  30.635  1036.80  52.254  935.309  37.816  144.750 3.6573 137.560 2.7852 7.190445       4.597107  
1 1 1 12  2   14 o 142.443 2.1840 1002.34  30.707  1020.10  45.266  987.189  41.794  143.620 3.1932 141.302 2.9966 2.318466       4.379055  
1 1 1 12  2   15 o 241.332 3.2549 2880.83  77.534  2900.38  109.524 2861.21  109.775 241.879 4.5875 240.230 4.6296 1.648865       6.517560  
1 1 1 12  2   16 o 156.578 2.5252 1211.69  39.027  1210.09  48.573  1214.62  65.553  156.411 3.1463 156.561 4.2421 -0.1490173     5.281486  
1 1 1 12  2   17 o 282.324 3.7613 3947.43  104.814 3800.40  154.525 4072.73  142.644 276.406 5.6639 286.371 5.0465 -9.964203      7.586010  
1 1 1 12  2   18 o 119.683 1.9142 707.635  22.613  676.259  32.781  736.120  31.234  116.927 2.8404 122.015 2.5935 -5.088142      3.846272  
1 1 1 12  2   19 o 118.415 1.9548 692.909  22.847  667.272  31.411  721.710  33.293  116.132 2.7403 120.771 2.7929 -4.638504      3.912733  
1 1 1 12  2   20 o 85.582  6.3416 369.412  53.188  331.136  75.077  407.980  75.363  79.840  9.7280 89.158  8.6736 -9.317291      13.03325  
1 1 1 12  2   21 o 113.547 6.3820 651.654  71.236  686.744  100.794 616.637  100.692 115.299 8.9264 108.924 9.4596 6.374352       13.00630  
1 1 1 12  2   22 o 61.859  1.9007 189.258  11.605  190.027  16.928  188.577  15.941  61.908  2.7703 61.687  2.6181 0.2213974      3.811743  
1 1 1 12  2   23 f 84.812  6.2789 366.040  52.188  397.958  74.081  334.592  73.533  87.270  8.7168 79.513  9.5611 7.757217       12.93816  
1 1 1 12  2   24 o 143.852 2.3837 1025.67  33.845  1083.54  50.082  977.022  45.918  147.510 3.4397 140.115 3.3202 7.395355       4.780726  
1 1 1 12  3   0  o 182.053 2.6698 1637.76  47.975  1585.51  64.622  1701.93  71.608  179.026 3.6571 185.451 3.9120 -6.424637      5.355186  
1 1 1 12  3   1  o 105.774 1.6454 552.412  17.178  507.676  24.699  594.328  23.907  101.371 2.4685 109.693 2.2081 -8.322121      3.311967  
1 1 1 12  3   2  o 103.276 1.4577 526.571  14.859  495.692  20.370  561.694  21.724  100.185 2.0599 106.646 2.0638 -6.461296      2.915912  
1 1 1 12  3   3  o 102.589 2.1817 519.804  22.092  521.012  22.855  502.607  86.222  102.706 2.2545 99.915  8.8339 2.790634       9.117088  
1 1 1 12  3   4  o 140.721 2.6417 978.359  36.693  975.917  50.969  980.987  52.865  140.474 3.6761 140.827 3.8032 -0.3539734     5.289374  
1 1 1 12  3   5  o 56.674  5.9165 161.080  32.609  163.315  46.136  158.848  46.095  56.600  8.5227 55.778  8.6529 0.8222923      12.14532  
1 1 1 12  3   6  o 91.729  6.0198 419.352  54.201  430.496  76.667  408.216  76.636  92.506  8.4914 90.010  8.7361 2.496178       12.18290  
1 1 1 12  3   7  o 236.172 7.4132 2776.49  172.809 2854.45  244.432 2698.59  244.345 238.484 10.384 231.769 10.681 6.714310       14.89676  
1 1 1 12  3   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  3   9  o 206.423 3.0328 2106.16  61.793  2071.77  87.388  2140.55  87.388  204.567 4.3279 207.946 4.2576 -3.378448      6.071130  
1 1 1 12  3   10 o 153.525 2.1956 1164.20  33.271  1120.64  48.917  1201.69  45.385  150.545 3.2920 155.924 2.9490 -5.378693      4.419700  
1 1 1 12  3   11 o 81.572  1.4757 328.518  11.881  308.722  16.702  348.798  16.905  79.059  2.1403 84.037  2.0381 -4.978233      2.955442  
1 1 1 12  3   12 o 46.807  1.0217 108.146  4.7204  108.321  6.0999  107.886  7.4527  46.842  1.3193 46.744  1.6153 0.9796906E-01  2.085648  
1 1 1 12  3   13 o 84.405  1.5251 351.750  12.706  344.293  17.800  359.496  18.142  83.486  2.1601 85.310  2.1545 -1.823486      3.050866  
1 1 1 12  3   14 o 137.319 2.8664 932.160  38.851  858.601  119.382 940.873  41.088  130.432 9.3348 137.947 3.0176 -7.514725      9.810383  
1 1 1 12  3   15 o 159.469 2.4073 1256.57  37.892  1231.55  53.809  1281.18  53.368  157.772 3.4554 160.930 3.3598 -3.158691      4.819518  
1 1 1 12  3   16 o 45.020  1.3912 100.069  6.1822  106.965  10.900  96.799   7.5064  46.465  2.3846 44.273  1.7177 2.191696       2.938877  
1 1 1 12  3   17 o 253.381 3.5324 3177.94  88.344  3071.87  127.881 3274.78  122.189 248.682 5.2099 256.884 4.8190 -8.201614      7.096909  
1 1 1 12  3   18 o 122.712 1.8465 743.824  22.366  719.856  31.405  768.491  31.860  120.662 2.6369 124.676 2.5890 -4.013596      3.695383  
1 1 1 12  3   19 o 100.045 1.7002 494.403  16.789  467.384  23.408  523.025  24.093  97.227  2.4392 102.857 2.3731 -5.629684      3.403105  
1 1 1 12  3   20 o 39.992  6.8132 82.443   25.930  88.404   37.010  76.696   36.339  40.873  9.3736 38.034  9.6612 2.839123       13.46118  
1 1 1 12  3   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  3   22 o 42.427  1.2346 88.914   5.1702  82.903   7.4429  94.520   7.1874  40.946  1.8416 43.728  1.6652 -2.782490      2.482858  
1 1 1 12  3   23 o 60.652  1.4712 181.801  8.8074  171.215  12.633  191.813  12.285  58.811  2.1763 62.263  1.9990 -3.451977      2.955057  
1 1 1 12  3   24 o 44.648  3.6742 99.985   16.048  105.346  17.670  74.729   38.352  45.782  3.9488 36.941  10.188 8.841042       10.92662  
1 1 1 12  4   0  o 88.895  1.3197 390.120  11.580  385.155  16.781  394.634  16.000  88.312  1.9251 89.396  1.8133 -1.083443      2.644624  
1 1 1 12  4   1  o 178.176 2.5670 1568.56  45.144  1538.93  66.891  1593.35  61.178  176.359 3.8427 179.495 3.4531 -3.135254      5.166286  
1 1 1 12  4   2  o 80.688  1.2222 321.390  9.7338  297.823  13.330  348.311  14.247  77.663  1.7389 83.989  1.7186 -6.325806      2.444866  
1 1 1 12  4   3  o 253.010 3.4124 3165.22  85.217  3125.14  117.409 3209.85  123.882 251.182 4.7356 254.524 4.9311 -3.342194      6.836816  
1 1 1 12  4   4  o 102.304 2.1771 516.906  21.983  516.906  21.983  0.0000   0.0000  102.304 2.1771 ?       ?      0.000000       2.177063  
1 1 1 12  4   5  o 62.603  1.7086 193.506  10.558  189.156  14.932  197.855  14.930  61.881  2.4447 63.289  2.3900 -1.408203      3.418900  
1 1 1 12  4   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  4   7  o 201.047 8.0613 2015.11  159.970 2098.17  277.165 1973.62  195.891 202.693 13.938 198.173 10.048 4.520248       17.18229  
1 1 1 12  4   8  o 80.921  6.9610 328.030  55.058  328.299  67.464  327.493  95.273  80.641  8.6089 79.569  12.547 1.071953       15.21608  
1 1 1 12  4   9  o 249.810 4.7941 3091.58  118.209 3219.31  167.011 2963.36  167.335 254.470 6.6493 244.064 6.9463 10.40648       9.615792  
1 1 1 12  4   10 o 96.220  1.5838 457.113  15.042  445.861  20.983  469.007  21.574  95.008  2.2376 97.442  2.2431 -2.434715      3.168292  
1 1 1 12  4   11 o 75.809  1.3797 283.725  10.324  272.953  14.832  293.847  14.378  74.341  2.0214 77.138  1.8885 -2.796471      2.766253  
1 1 1 12  4   12 o 67.282  1.4567 223.497  9.6736  229.721  13.865  217.593  13.504  68.199  2.0597 66.374  2.0612 1.824699       2.913889  
1 1 1 12  4   13 o 110.001 1.7350 597.521  18.837  608.999  26.820  586.346  26.464  111.020 2.4475 108.935 2.4612 2.085098       3.471009  
1 1 1 12  4   14 o 235.546 3.5302 2745.05  82.074  2815.79  116.427 2675.16  115.718 238.273 4.9505 232.223 5.0485 6.049225       7.070673  
1 1 1 12  4   15 o 80.037  6.1040 320.424  47.858  321.718  67.931  319.149  67.435  79.637  8.7885 79.322  8.7592 0.3151703      12.40810  
1 1 1 12  4   16 o 114.068 1.9095 642.662  21.499  639.798  31.074  645.291  29.776  113.764 2.7673 114.260 2.6402 -0.4959030     3.824754  
1 1 1 12  4   17 o 31.431  1.0375 48.768   3.2188  37.205   4.5311  60.547   4.5733  27.396  1.6838 35.019  1.3231 -7.623064      2.141455  
1 1 1 12  4   18 o 201.395 3.4199 2007.69  67.982  2033.12  96.142  1982.27  96.141  202.370 4.8132 199.808 4.8749 2.562164       6.850640  
1 1 1 12  4   19 o 102.782 1.7183 521.810  17.432  490.971  24.035  556.034  25.320  99.655  2.4435 106.054 2.4188 -6.399605      3.438162  
1 1 1 12  4   20 o 72.638  6.2317 265.818  44.246  270.954  62.624  260.699  62.523  72.583  8.9296 71.116  9.1170 1.466637       12.76154  
1 1 1 12  4   21 o 49.320  6.6352 124.421  31.481  113.318  44.563  135.481  44.478  46.078  10.079 50.750  9.2189 -4.671509      13.65906  
1 1 1 12  4   22 o 23.368  4.5729 28.177   10.170  28.088   15.817  28.240   13.278  23.268  6.5887 23.258  5.8031 0.1073647E-01  8.779927  
1 1 1 12  4   23 o 71.990  1.9510 256.391  13.863  250.371  20.888  261.129  18.534  71.026  2.9795 72.586  2.5869 -1.560074      3.945855  
1 1 1 12  4   24 o 39.170  3.1410 76.716   12.042  81.661   16.839  71.541   17.226  40.198  4.3114 37.495  4.7620 2.703625       6.423715  
1 1 1 12  5   0  o 126.697 1.7772 792.660  22.225  818.631  32.717  770.406  30.286  128.716 2.5752 124.874 2.4572 3.842072       3.559401  
1 1 1 12  5   1  o 184.544 2.5843 1682.74  47.073  1609.04  69.506  1745.18  63.980  180.320 3.9052 187.849 3.4507 -7.528748      5.211302  
1 1 1 12  5   2  o 139.128 1.8493 955.849  25.395  958.922  34.610  952.266  37.377  139.316 2.5169 138.819 2.7278 0.4976196      3.711589  
1 1 1 12  5   3  f 157.794 2.1927 1229.80  34.152  1174.34  48.004  1286.64  48.597  154.129 3.1554 161.338 3.0517 -7.209595      4.389715  
1 1 1 12  5   4  o 31.720  1.0909 49.664   3.4153  51.399   4.7087  47.739   4.9613  32.266  1.4785 31.052  1.6243 1.213747       2.196447  
1 1 1 12  5   5  o 65.115  1.3251 209.307  8.5166  206.059  11.891  212.728  12.204  64.599  1.8649 65.635  1.8837 -1.036583      2.650742  
1 1 1 12  5   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  5   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  5   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  5   9  o 211.979 7.1196 2236.39  148.964 2200.77  210.673 2272.00  210.661 209.363 10.195 212.783 10.030 -3.419205      14.30171  
1 1 1 12  5   10 o 203.625 2.7934 2049.06  56.144  2062.05  79.441  2036.10  79.358  204.133 3.9427 202.841 3.9637 1.291351       5.590704  
1 1 1 12  5   11 o 113.796 1.8498 639.484  20.777  647.517  29.357  631.421  29.410  114.474 2.5981 113.040 2.6359 1.433777       3.701129  
1 1 1 12  5   12 f 27.841  0.9076 38.259   2.4941  38.608   3.5202  37.907   3.5342  27.965  1.2753 27.710  1.2922 0.2549305      1.815534  
1 1 1 12  5   13 o 102.510 1.7296 518.904  17.500  509.555  24.746  528.257  24.751  101.551 2.4688 103.400 2.4251 -1.849022      3.460702  
1 1 1 12  5   14 o 167.638 2.6501 1388.88  43.850  1392.63  62.018  1385.13  62.010  167.745 3.7457 167.292 3.7554 0.4533691      5.304062  
1 1 1 12  5   15 f 45.994  1.0788 104.428  4.8973  104.835  6.2696  103.791  7.8435  46.080  1.3785 45.845  1.7333 0.2351646      2.214642  
1 1 1 12  5   16 o 143.264 2.7401 1014.59  38.747  1014.25  40.595  1018.00  129.927 143.229 2.8715 141.988 9.3225 1.240158       9.754726  
1 1 1 12  5   17 o 87.972  1.6152 382.166  14.025  378.635  19.408  386.024  20.289  87.540  2.2462 88.386  2.3256 -0.8463287     3.233249  
1 1 1 12  5   18 o 26.031  2.8340 33.905   7.1640  29.728   9.8445  38.606   10.445  24.131  4.2904 27.640  3.9400 -3.509089      5.825035  
1 1 1 12  5   19 o 84.250  1.5786 350.549  13.127  336.759  18.105  365.834  19.061  82.548  2.2221 86.036  2.2445 -3.488510      3.158398  
1 1 1 12  5   20 o 77.692  6.0611 303.294  46.112  285.500  65.228  321.070  65.195  74.547  9.0505 79.300  8.4599 -4.753281      12.38872  
1 1 1 12  5   21 o 47.543  6.3856 115.348  29.208  123.247  41.323  107.463  41.288  48.470  8.9678 45.025  9.5845 3.444729       13.12571  
1 1 1 12  5   22 o 45.351  2.8332 102.320  12.619  97.344   16.380  109.583  19.791  44.087  3.8014 46.698  4.3434 -2.610634      5.771991  
1 1 1 12  5   23 o 121.681 2.0333 732.593  24.421  731.413  35.769  733.623  33.422  121.403 2.9850 121.630 2.7839 -0.2269897     4.081766  
1 1 1 12  5   24 o 63.894  1.8117 201.924  11.426  189.839  14.818  219.649  17.944  61.897  2.4254 66.544  2.7320 -4.646946      3.653241  
1 1 1 12  5   25 o 35.593  1.6349 62.650   5.7436  70.543   16.489  61.560   6.1274  37.239  4.5828 35.276  1.7598 1.963181       4.909023  
1 1 1 12  6   0  o 78.170  1.2862 301.657  9.9236  306.818  14.347  296.923  13.740  78.823  1.8441 77.543  1.7952 1.280205       2.573646  
1 1 1 12  6   1  o 125.633 1.9709 779.497  24.440  772.240  38.168  784.541  31.819  124.982 3.0940 126.008 2.5583 -1.026009      4.014661  
1 1 1 12  6   2  o 70.346  1.1753 244.281  8.1607  237.309  11.203  252.163  11.912  69.327  1.6371 71.463  1.6888 -2.135788      2.352039  
1 1 1 12  6   3  o 158.652 2.5536 1243.61  39.988  1244.02  48.764  1242.77  69.869  158.635 3.1144 158.414 4.4685 0.2204590      5.446705  
1 1 1 12  6   4  o 126.147 2.0780 785.910  25.873  821.732  35.101  743.289  38.287  128.954 2.7577 122.620 3.1634 6.334152       4.196692  
1 1 1 12  6   5  o 38.633  2.2216 73.964   8.4360  0.0000   0.0000  73.964   8.4360  ?       ?      38.633  2.2216 0.000000       2.221642  
1 1 1 12  6   6  o 258.447 6.1908 3317.08  157.926 3202.93  223.342 3431.22  223.339 253.109 8.9398 262.088 8.6335 -8.978394      12.42809  
1 1 1 12  6   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  6   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  6   9  o 105.563 12.602 572.060  128.710 572.060  128.710 0.0000   0.0000  105.563 12.602 ?       ?      0.000000       12.60194  
1 1 1 12  6   10 o 44.458  0.8250 97.555   3.6201  98.668   5.1204  96.443   5.1187  44.708  1.1603 44.201  1.1733 0.5070305      1.650127  
1 1 1 12  6   11 o 73.732  1.4417 268.402  10.492  269.595  14.777  267.188  14.901  73.882  2.0264 73.551  2.0525 0.3312759      2.884241  
1 1 1 12  6   12 o 43.310  1.5730 92.616   6.7242  89.610   9.2984  95.913   9.7357  42.533  2.2226 44.006  2.2489 -1.472569      3.161882  
1 1 1 12  6   13 o 53.789  1.5393 142.856  8.1723  125.390  11.021  164.192  12.181  50.381  2.2163 57.654  2.1405 -7.272518      3.081127  
1 1 1 12  6   14 o 92.402  1.6142 421.599  14.722  408.990  20.863  434.104  20.777  90.984  2.3232 93.739  2.2456 -2.755180      3.231041  
1 1 1 12  6   15 o 101.288 1.7362 506.633  17.358  519.627  25.004  494.547  24.115  102.545 2.4704 100.041 2.4422 2.503876       3.473760  
1 1 1 12  6   16 o 121.162 1.9745 725.118  23.614  703.008  33.058  748.153  33.743  119.248 2.8086 123.020 2.7789 -3.771599      3.951007  
1 1 1 12  6   17 o 84.473  2.2204 352.566  18.513  346.371  19.109  447.222  74.694  83.724  2.3124 94.143  8.1176 -10.41943      8.440545  
1 1 1 12  6   18 o 104.945 1.7250 543.937  17.868  554.562  24.825  532.516  25.738  105.929 2.3743 103.794 2.5123 2.135582       3.456758  
1 1 1 12  6   19 o 36.104  3.4232 65.113   12.053  47.603   18.109  79.038   16.150  30.349  6.2532 39.706  4.1837 -9.356594      7.523733  
1 1 1 12  6   20 o 64.885  6.1473 212.115  38.900  221.060  54.878  203.081  55.149  65.606  8.6884 62.694  9.1844 2.911247       12.64280  
1 1 1 12  6   21 o 111.362 1.8353 612.852  20.173  602.354  29.201  622.437  27.901  110.321 2.6817 112.163 2.5202 -1.842659      3.680055  
1 1 1 12  6   22 o 43.222  1.1664 92.256   4.9761  101.426  7.1521  83.652   6.9279  45.305  1.5994 41.141  1.7061 4.164234       2.338514  
1 1 1 12  6   23 o 46.213  2.7205 106.232  12.354  100.511  19.578  110.018  15.926  44.636  4.5055 46.919  3.4633 -2.283211      5.682799  
1 1 1 12  6   24 o 39.682  2.8056 78.513   10.918  72.913   16.951  82.483   14.273  37.892  4.6285 40.547  3.6039 -2.654625      5.866142  
1 1 1 12  6   25 o 61.206  2.2020 185.561  13.303  185.521  20.416  185.591  17.536  60.952  3.4071 61.128  2.9065 -0.1762733     4.478379  
1 1 1 12  7   0  o 118.618 1.6187 694.731  18.951  684.619  26.751  704.919  26.852  117.721 2.3022 119.455 2.2774 -1.733856      3.238325  
1 1 1 12  7   1  o 98.726  1.5663 481.240  15.263  458.881  21.972  502.093  21.218  96.379  2.3096 100.822 2.1322 -4.443130      3.143352  
1 1 1 12  7   2  o 135.559 1.8969 907.490  25.381  934.200  35.564  879.763  36.234  137.498 2.6205 133.423 2.7514 4.074738       3.799625  
1 1 1 12  7   3  o 48.581  1.0392 116.498  4.9832  103.239  6.6722  133.223  7.4937  45.728  1.4783 51.946  1.4615 -6.217918      2.078777  
1 1 1 12  7   4  o 144.872 2.3818 1036.82  34.058  1040.26  41.635  1029.88  59.210  145.076 2.9076 144.238 4.1589 0.8377991      5.074496  
1 1 1 12  7   5  o 72.407  1.3711 258.822  9.7990  251.608  13.656  266.479  14.069  71.379  1.9383 73.458  1.9404 -2.079117      2.742647  
1 1 1 12  7   6  o 248.733 5.9580 3071.80  146.274 0.0000   0.0000  3071.80  146.274 ?       ?      248.733 5.9580 0.000000       5.957975  
1 1 1 12  7   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  7   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  7   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  7   10 o 46.659  1.5564 107.488  7.1679  102.832  9.9496  112.512  10.335  45.627  2.2093 47.727  2.1940 -2.099579      3.113581  
1 1 1 12  7   11 o 107.116 1.6527 566.547  17.473  562.766  24.424  570.511  25.008  106.732 2.3185 107.462 2.3577 -0.7299957     3.306638  
1 1 1 12  7   12 o 175.352 2.7068 1519.64  46.850  1467.54  66.253  1571.75  66.258  172.189 3.8982 178.215 3.7667 -6.026077      5.420711  
1 1 1 12  7   13 o 30.995  1.0686 47.424   3.2694  47.337   4.5818  47.513   4.6665  30.964  1.4992 31.021  1.5241 -0.5707169E-01 2.137823  
1 1 1 12  7   14 o 80.345  1.4819 318.730  11.752  308.178  16.285  330.196  16.975  78.986  2.0889 81.759  2.1036 -2.772476      2.964509  
1 1 1 12  7   15 o 174.017 2.5383 1496.54  43.598  1466.08  61.764  1526.78  61.549  172.111 3.6358 175.650 3.5501 -3.538879      5.081511  
1 1 1 12  7   16 o 166.354 2.2863 1367.35  37.540  1380.53  53.102  1354.18  53.078  167.058 3.2204 165.453 3.2502 1.605316       4.575417  
1 1 1 12  7   17 o 72.960  1.4036 262.833  10.108  245.007  13.770  283.666  14.886  70.427  1.9809 75.779  1.9902 -5.352547      2.807962  
1 1 1 12  7   18 o 109.572 1.8186 593.017  19.668  605.257  28.258  581.516  27.392  110.650 2.5874 108.461 2.5587 2.189743       3.638888  
1 1 1 12  7   19 o 138.306 6.4473 954.877  88.014  955.316  124.458 954.439  124.483 137.231 9.2422 137.165 9.2486 0.6602478E-01  13.07499  
1 1 1 12  7   20 o 16.746  5.9353 12.139   12.285  21.610   16.972  1.7142   17.807  21.221  6.9900 15.885  6.6825 5.335556       9.670330  
1 1 1 12  7   21 o 9.2715  2.4589 4.4026   2.2870  4.1828   2.3378  9.2924   11.028  9.0651  2.5212 15.243  5.5939 -6.177514      6.135790  
1 1 1 12  7   22 f 86.498  1.7899 369.810  15.282  356.206  21.000  385.123  22.280  84.830  2.5081 88.200  2.5592 -3.370605      3.583339  
1 1 1 12  7   23 o 5.4720  2.3008 0.1640   2.1091  5.0147   29.971  0.1399   2.1143  20.656  8.6785 5.4630  2.3007 15.19319       8.978297  
1 1 1 12  7   24 o 94.508  1.7159 441.689  16.006  423.505  21.930  462.417  23.414  92.452  2.4032 96.597  2.4557 -4.145538      3.435997  
1 1 1 12  7   25 o 79.437  1.9503 312.309  15.292  348.592  24.300  288.520  19.676  83.773  2.9388 76.265  2.6139 7.507851       3.933089  
1 1 1 12  8   0  o 102.391 1.5286 517.632  15.448  509.541  21.343  526.536  22.389  101.565 2.1290 103.242 2.1971 -1.676888      3.059350  
1 1 1 12  8   1  o 112.718 1.5089 627.308  16.787  621.232  23.924  633.202  23.562  112.145 2.1613 113.223 2.1084 -1.077759      3.019364  
1 1 1 12  8   2  o 32.637  1.2491 52.583   4.0238  52.865   4.7090  51.820   7.7459  32.723  1.4580 32.293  2.4483 0.4294586      2.849571  
1 1 1 12  8   3  o 214.387 3.0472 2272.21  64.481  2204.24  95.804  2328.51  87.183  210.923 4.6018 216.880 4.0727 -5.956268      6.145170  
1 1 1 12  8   4  o 165.726 2.3066 1356.78  37.731  1344.56  53.354  1369.00  53.366  164.896 3.2781 166.391 3.2494 -1.494690      4.615715  
1 1 1 12  8   5  o 133.302 2.0905 877.646  27.505  885.737  38.863  869.526  38.933  133.863 2.9414 132.630 2.9740 1.232956       4.182881  
1 1 1 12  8   6  o 141.650 2.2002 991.089  30.762  967.623  43.580  1014.40  43.430  139.899 3.1560 143.247 3.0717 -3.347916      4.404023  
1 1 1 12  8   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  8   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  8   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  8   10 o 96.722  1.5649 461.905  14.940  463.801  21.053  459.983  21.205  96.899  2.2012 96.498  2.2263 0.4006805      3.130782  
1 1 1 12  8   11 o 112.035 1.9512 619.916  21.577  632.175  30.515  607.657  30.515  113.098 2.7335 110.880 2.7882 2.218109       3.904630  
1 1 1 12  8   12 o 211.543 2.9044 2212.21  60.643  2254.99  85.850  2169.61  85.675  213.405 4.0757 209.314 4.1469 4.091217       5.814479  
1 1 1 12  8   13 o 185.706 2.6602 1704.46  48.760  1711.76  69.087  1697.21  68.829  185.969 3.7638 185.176 3.7658 0.7923126      5.324185  
1 1 1 12  8   14 o 164.362 2.2313 1334.64  36.199  1342.25  51.205  1327.03  51.182  164.744 3.1490 163.806 3.1656 0.9383392      4.465109  
1 1 1 12  8   15 o 175.474 2.8297 1522.27  49.010  1542.96  69.311  1501.58  69.310  176.511 3.9783 174.120 4.0329 2.391327       5.664901  
1 1 1 12  8   16 o 112.238 2.0807 622.321  23.051  615.248  27.997  637.205  40.614  111.572 2.5423 113.459 3.6266 -1.887131      4.428954  
1 1 1 12  8   17 o 215.081 3.1977 2288.59  67.884  2341.70  112.955 2258.56  84.934  217.108 5.2710 213.512 4.0302 3.595917       6.635242  
1 1 1 12  8   18 o 138.745 2.9185 952.104  39.968  1214.68  132.633 925.879  41.916  155.163 8.6953 136.802 3.1042 18.36108       9.232813  
1 1 1 12  8   19 o 94.980  6.2119 451.869  57.915  447.757  81.828  455.996  81.982  93.811  8.9455 94.700  8.8742 -0.8886108     12.60051  
1 1 1 12  8   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  8   21 o 62.803  1.6983 194.866  10.528  197.584  13.376  190.443  17.065  63.219  2.1437 62.028  2.7872 1.190250       3.516261  
1 1 1 12  8   22 o 70.855  2.0037 248.234  14.013  236.404  21.270  257.306  18.627  69.053  3.1206 72.090  2.6178 -3.036911      4.073236  
1 1 1 12  8   23 o 56.253  2.4100 156.702  13.381  167.483  24.167  151.936  16.069  57.794  4.2667 55.266  2.9564 2.528278       5.190922  
1 1 1 12  8   24 o 61.307  1.6660 185.847  10.081  189.559  20.107  184.601  11.652  61.654  3.3162 61.081  1.9327 0.5731506      3.838315  
1 1 1 12  8   25 o 129.745 2.2188 833.865  28.414  835.563  40.870  832.277  39.530  129.619 3.1945 129.394 3.0951 0.2247772      4.448001  
1 1 1 12  8   26 o 52.656  2.3965 137.518  12.456  134.738  20.219  139.219  15.812  51.748  3.9893 52.815  3.0462 -1.067184      5.019351  
1 1 1 12  9   0  o 159.168 2.3358 1251.69  36.696  1287.47  49.883  1209.48  54.174  161.356 3.1321 156.353 3.5104 5.003494       4.704529  
1 1 1 12  9   1  o 90.344  1.4640 402.984  13.055  408.689  18.838  397.714  18.108  90.961  2.0982 89.733  2.0445 1.227684       2.929612  
1 1 1 12  9   2  o 160.853 2.3394 1278.27  37.142  1266.24  55.069  1288.31  50.308  159.989 3.4873 161.412 3.1577 -1.422592      4.704451  
1 1 1 12  9   3  o 73.353  1.2473 265.622  9.0310  277.125  12.801  254.224  12.743  74.914  1.7312 71.750  1.7993 3.163734       2.496913  
1 1 1 12  9   4  o 102.934 1.6302 523.170  16.563  524.545  23.497  521.812  23.350  103.043 2.3103 102.774 2.3018 0.2685013      3.261247  
1 1 1 12  9   5  o 49.633  1.3140 121.617  6.4372  116.236  9.6448  125.939  8.6443  48.512  2.0142 50.501  1.7342 -1.989235      2.657911  
1 1 1 12  9   6  o 95.511  1.7862 450.476  16.839  481.306  29.992  436.284  20.349  98.667  3.0797 93.980  2.1937 4.686684       3.781100  
1 1 1 12  9   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  9   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  9   9  o 66.244  1.7956 216.703  11.741  235.489  16.598  197.889  16.610  69.038  2.4357 63.280  2.6594 5.757915       3.606252  
1 1 1 12  9   10 o 237.636 3.7647 2794.66  88.304  2720.24  133.061 2853.23  118.045 234.018 5.7606 239.864 4.9860 -5.845978      7.618693  
1 1 1 12  9   11 o 125.752 1.7372 780.895  21.562  766.942  30.516  794.808  30.472  124.584 2.4816 126.830 2.4341 -2.246155      3.476112  
1 1 1 12  9   12 o 110.821 1.7605 606.491  19.257  599.571  28.554  612.264  26.081  110.144 2.6265 111.318 2.3737 -1.174225      3.540198  
1 1 1 12  9   13 o 67.569  1.5007 225.425  10.009  237.673  14.174  213.244  14.135  69.365  2.0703 65.701  2.1797 3.664665       3.006155  
1 1 1 12  9   14 o 71.255  1.4805 250.692  10.413  251.813  14.649  249.547  14.804  71.398  2.0787 71.075  2.1103 0.3230362      2.962117  
1 1 1 12  9   15 o 190.160 2.5050 1787.13  47.017  1768.46  66.442  1805.85  66.541  189.027 3.5611 191.020 3.5292 -1.992966      5.013667  
1 1 1 12  9   16 o 72.053  1.6551 256.378  11.771  266.014  19.077  250.455  14.958  73.358  2.6347 71.200  2.1284 2.157639       3.387023  
1 1 1 12  9   17 o 81.433  1.7705 327.520  14.231  336.993  20.749  319.105  19.555  82.568  2.5459 80.351  2.4657 2.217285       3.544206  
1 1 1 12  9   18 o 129.329 2.7322 827.077  34.878  821.872  48.301  832.747  50.416  128.805 3.7992 129.635 3.9401 -0.8309021     5.473434  
1 1 1 12  9   19 o 169.399 6.7250 1434.47  112.444 1443.85  159.042 1425.09  158.998 168.592 9.5971 167.459 9.6605 1.133255       13.61725  
1 1 1 12  9   20 o 174.530 2.6583 1506.72  45.794  1479.18  67.633  1530.03  62.229  172.688 3.9679 175.712 3.5881 -3.024155      5.349645  
1 1 1 12  9   21 o 32.365  3.3049 52.446   10.410  56.879   15.906  49.124   13.768  33.438  4.9705 31.092  4.6272 2.345825       6.790912  
1 1 1 12  9   22 o 69.374  1.8097 237.885  12.392  194.884  20.796  261.556  15.430  62.582  3.3792 72.721  2.1497 -10.13868      4.004994  
1 1 1 12  9   23 o 98.682  1.9562 481.673  19.054  517.276  28.325  452.245  25.752  102.143 2.8095 95.518  2.7314 6.624184       3.918435  
1 1 1 12  9   24 o 81.592  2.1278 329.586  17.136  342.396  26.008  319.759  22.780  83.001  3.1746 80.261  2.8755 2.740234       4.283290  
1 1 1 12  9   25 o 61.024  1.3719 184.052  8.2633  188.868  11.936  179.619  11.451  61.771  1.9576 60.243  1.9258 1.528603       2.746118  
1 1 1 12  9   26 o 76.955  2.0503 293.332  15.574  315.123  26.079  281.254  19.416  79.527  3.3224 75.268  2.6134 4.258690       4.227067  
1 1 1 12  10  0  o 225.553 2.8829 2515.20  64.182  2591.62  94.681  2450.23  87.301  228.728 4.1938 222.443 3.9762 6.284836       5.779124  
1 1 1 12  10  1  o 118.723 1.6975 696.042  19.892  722.057  29.039  673.044  27.304  120.884 2.4338 116.712 2.3701 4.171219       3.397168  
1 1 1 12  10  2  o 68.347  1.3395 230.620  9.0364  249.824  12.667  210.720  12.895  71.125  1.8043 65.317  2.0001 5.808098       2.693715  
1 1 1 12  10  3  o 262.893 3.8610 3421.07  100.187 3202.89  160.115 3561.46  128.437 253.711 6.3938 267.999 4.8554 -14.28856      8.028431  
1 1 1 12  10  4  o 122.306 1.7297 738.682  20.881  731.930  29.229  745.718  29.840  121.710 2.4330 122.850 2.4609 -1.139336      3.460615  
1 1 1 12  10  5  o 55.500  1.3996 152.075  7.6669  155.669  12.178  149.715  9.8678  56.136  2.1979 55.060  1.8157 1.075584       2.850919  
1 1 1 12  10  6  o 81.249  2.0573 326.062  16.499  364.492  24.440  293.886  22.363  85.869  2.8836 77.102  2.9386 8.766510       4.117082  
1 1 1 12  10  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  10  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  10  9  o 47.652  2.2608 112.177  10.633  112.177  10.633  0.0000   0.0000  47.652  2.2608 ?       ?      0.000000       2.260807  
1 1 1 12  10  10 o 88.318  1.5961 385.149  13.913  391.548  19.677  378.751  19.676  89.026  2.2393 87.558  2.2767 1.468391       3.193394  
1 1 1 12  10  11 o 62.951  1.3257 195.646  8.2370  190.679  10.782  202.607  12.764  62.138  1.7580 64.046  2.0192 -1.907421      2.677264  
1 1 1 12  10  12 o 42.854  1.7382 90.692   7.3525  101.963  10.497  79.837   10.302  45.366  2.3523 40.106  2.6167 5.259701       3.518594  
1 1 1 12  10  13 o 120.194 1.7219 713.428  20.428  700.272  28.752  726.837  29.028  119.041 2.4470 121.280 2.4250 -2.238342      3.445060  
1 1 1 12  10  14 o 158.599 2.3523 1242.92  36.824  1271.05  52.369  1215.42  51.791  160.285 3.3101 156.733 3.3478 3.551392       4.707941  
1 1 1 12  10  15 o 97.232  1.7216 466.901  16.522  441.965  23.602  490.866  23.137  94.562  2.5287 99.666  2.3520 -5.104210      3.453396  
1 1 1 12  10  16 o 241.909 3.3657 2895.98  80.364  2858.06  113.724 2933.80  113.580 239.980 4.8011 243.159 4.7324 -3.178192      6.741361  
1 1 1 12  10  17 o 110.255 2.0995 600.604  22.848  623.313  39.003  588.740  28.192  112.206 3.5217 109.127 2.6173 3.079437       4.387762  
1 1 1 12  10  18 o 127.763 6.3341 814.354  79.877  817.773  112.816 810.917  113.111 127.021 9.0577 126.460 9.1231 0.5602798      12.85591  
1 1 1 12  10  19 o 139.342 6.4167 969.842  88.252  901.672  124.522 1038.64  125.093 133.079 9.5433 143.154 8.8971 -10.07474      13.04733  
1 1 1 12  10  20 o 98.335  3.9170 479.644  38.018  459.971  39.724  694.095  131.152 96.263  4.1808 115.512 11.663 -19.24873      12.38952  
1 1 1 12  10  21 o 53.857  1.6071 143.292  8.5432  139.346  12.142  147.161  12.022  53.081  2.3176 54.554  2.2327 -1.472359      3.218067  
1 1 1 12  10  22 o 42.896  2.8237 91.549   11.889  94.182   17.639  89.356   16.093  43.309  4.1783 42.221  3.9060 1.087742       5.719737  
1 1 1 12  10  23 o 52.284  1.7030 135.143  8.7888  127.432  24.227  136.312  9.4312  50.217  4.9523 52.504  1.8199 -2.286163      5.276148  
1 1 1 12  10  24 o 60.555  2.2212 181.605  13.276  181.723  20.693  181.522  17.307  60.321  3.4905 60.466  2.8998 -0.1453438     4.537914  
1 1 1 12  10  25 o 60.982  2.3555 184.335  14.178  176.846  21.372  190.222  18.948  59.438  3.6607 61.770  3.1179 -2.332001      4.808497  
1 1 1 12  10  26 o 52.286  6.2430 141.307  31.582  144.464  44.562  138.121  44.765  51.656  9.0709 50.351  9.3517 1.305244       13.02826  
1 1 1 12  11  0  o 153.929 2.0096 1170.44  30.533  1163.72  43.276  1177.10  43.085  153.413 2.8580 154.296 2.8290 -0.8822632     4.021348  
1 1 1 12  11  1  o 156.798 2.1568 1214.58  33.379  1179.11  45.289  1256.77  49.388  154.420 2.9714 159.406 3.1390 -4.986359      4.322277  
1 1 1 12  11  2  o 149.645 1.9554 1106.08  28.882  1094.66  40.845  1117.49  40.844  148.809 2.7809 150.355 2.7522 -1.546112      3.912515  
1 1 1 12  11  3  o 156.571 2.2100 1211.08  34.154  1270.81  48.588  1152.76  48.019  160.309 3.0707 152.670 3.1866 7.638992       4.425352  
1 1 1 12  11  4  o 139.050 2.0183 955.029  27.701  944.645  39.198  965.388  39.151  138.232 2.8729 139.744 2.8384 -1.512283      4.038608  
1 1 1 12  11  5  f 325.578 4.5779 5254.17  147.114 5389.46  198.527 5089.41  219.092 329.185 6.1101 319.531 6.9467 9.654633       9.251489  
1 1 1 12  11  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  11  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  11  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  11  9  o 307.563 4.1349 4685.29  125.525 4643.43  177.516 4727.14  177.523 305.624 5.8846 308.386 5.8321 -2.762482      8.285071  
1 1 1 12  11  10 o 187.617 4.0143 1743.19  74.340  1743.19  74.340  0.0000   0.0000  187.617 4.0143 ?       ?      0.000000       4.014339  
1 1 1 12  11  11 o 110.698 1.7764 605.177  19.410  592.600  28.279  616.378  26.689  109.498 2.6166 111.685 2.4210 -2.187195      3.564793  
1 1 1 12  11  12 o 163.218 2.5138 1316.59  40.498  1310.14  58.662  1322.47  55.978  162.691 3.6531 163.479 3.4692 -0.7879944     5.037873  
1 1 1 12  11  13 o 188.041 2.7062 1747.97  50.228  1699.53  71.127  1796.15  70.939  185.252 3.8899 190.464 3.7734 -5.212051      5.419440  
1 1 1 12  11  14 o 92.666  1.6988 424.076  15.538  406.529  22.303  440.625  21.659  90.694  2.4915 94.429  2.3238 -3.735664      3.406995  
1 1 1 12  11  15 o 135.473 1.9141 906.552  25.594  907.485  36.637  905.663  35.769  135.479 2.7398 135.348 2.6774 0.1304779      3.830825  
1 1 1 12  11  16 o 120.109 1.9062 712.610  22.598  716.471  31.502  708.518  32.437  120.382 2.6512 119.704 2.7453 0.6776733      3.816494  
1 1 1 12  11  17 o 65.556  1.9176 212.303  12.408  212.621  19.065  212.069  16.344  65.562  2.9461 65.497  2.5281 0.6539154E-01  3.882129  
1 1 1 12  11  18 o 215.951 7.2341 2335.60  154.195 2317.07  217.860 2354.21  218.271 213.474 10.339 215.218 10.275 -1.743576      14.57674  
1 1 1 12  11  19 o 144.000 2.3726 1025.13  33.723  1073.87  48.208  978.420  47.191  147.262 3.3166 140.553 3.4016 6.709427       4.750901  
1 1 1 12  11  20 o 151.609 2.3423 1136.52  35.051  1144.40  50.231  1129.05  48.934  151.984 3.3484 150.972 3.2838 1.011429       4.689926  
1 1 1 12  11  21 o 20.405  7.5245 16.823   19.987  16.823   19.987  0.0000   0.0000  20.405  7.5245 ?       ?      0.000000       7.524544  
1 1 1 12  11  22 o 116.620 2.0585 672.601  23.695  697.197  34.041  649.480  33.004  118.609 2.9077 114.476 2.9209 4.133011       4.121434  
1 1 1 12  11  23 o 21.737  4.7493 24.538   9.9050  28.176   14.446  21.310   13.607  23.218  6.1904 20.458  6.2012 2.759626       8.762221  
1 1 1 12  11  24 o 21.248  1.9064 22.519   3.9557  22.033   4.1130  28.508   14.438  21.003  2.0085 23.296  6.1781 -2.292757      6.496413  
1 1 1 12  11  25 o 17.083  5.4302 14.538   10.297  12.658   14.588  16.404   14.537  17.464  6.4301 18.716  6.4690 -1.251923      9.121025  
1 1 1 12  11  26 o 32.858  8.1712 58.591   26.389  54.085   31.625  68.922   47.886  31.524  9.4309 35.389  11.745 -3.865049      15.06317  
1 1 1 12  12  0  o 52.978  2.1442 138.677  11.212  138.677  11.212  0.0000   0.0000  52.978  2.1442 ?       ?      0.000000       2.144159  
1 1 1 12  12  1  o 107.596 1.5689 571.676  16.662  564.623  23.993  578.247  23.157  106.895 2.2740 108.183 2.1686 -1.288063      3.142268  
1 1 1 12  12  2  f 35.609  2.0015 62.833   7.0063  57.805   9.6395  68.465   10.201  34.069  2.8940 37.107  2.8059 -3.038387      4.030915  
1 1 1 12  12  3  o 242.815 2.9637 2915.47  71.030  2924.43  100.496 2906.53  100.408 242.950 4.1908 242.203 4.2001 0.7467041      5.933267  
1 1 1 12  12  4  o 83.845  1.5065 347.114  12.468  368.126  17.503  325.470  17.764  86.327  2.0541 81.165  2.2174 5.161636       3.022642  
1 1 1 12  12  5  o 43.871  1.1314 95.013   4.8991  97.938   6.8376  91.928   7.0230  44.536  1.5555 43.146  1.6491 1.389431       2.266928  
1 1 1 12  12  6  o 100.702 8.6169 512.141  84.825  0.0000   0.0000  512.141  84.825  ?       ?      100.702 8.6169 0.000000       8.616932  
1 1 1 12  12  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  12  8  o 110.409 2.1276 602.208  23.187  579.809  42.171  611.913  27.759  108.205 3.9485 111.272 2.5274 -3.067879      4.688139  
1 1 1 12  12  9  o 63.508  1.4365 199.143  9.0046  204.041  13.333  195.036  12.210  64.268  2.1019 62.837  1.9686 1.430485       2.879799  
1 1 1 12  12  10 o 88.159  1.8204 383.849  15.841  381.954  27.406  384.800  19.412  87.875  3.1597 88.252  2.2285 -0.3765869     3.866486  
1 1 1 12  12  11 o 72.765  1.5139 261.442  10.873  270.622  15.249  251.949  15.507  74.014  2.0873 71.411  2.2001 2.603020       3.032706  
1 1 1 12  12  12 o 78.057  1.7204 300.905  13.255  281.504  19.069  319.042  18.437  75.467  2.5599 80.352  2.3247 -4.885063      3.457963  
1 1 1 12  12  13 o 30.841  2.8628 47.437   8.6152  46.674   12.657  48.095   11.760  30.381  4.3444 30.912  3.9442 -0.5314045     5.867806  
1 1 1 12  12  14 o 22.277  3.7528 25.246   7.9586  21.527   11.659  28.492   10.891  20.483  5.6042 23.532  4.8501 -3.049284      7.411484  
1 1 1 12  12  15 o 203.318 2.8612 2044.36  57.419  2055.53  81.291  2033.23  81.115  203.661 4.0439 202.551 4.0573 1.110611       5.728392  
1 1 1 12  12  16 o 124.233 2.2076 762.680  27.070  769.960  38.846  755.808  37.743  124.741 3.1551 123.595 3.0939 1.145454       4.418874  
1 1 1 12  12  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  12  18 o 188.233 6.9319 1773.70  128.790 1747.64  182.026 1799.82  182.248 185.193 9.9951 188.027 9.8543 -2.834366      14.03595  
1 1 1 12  12  19 o 140.991 2.3760 982.833  33.065  1033.49  47.186  933.959  46.347  144.454 3.3094 137.306 3.4198 7.148438       4.758904  
1 1 1 12  12  20 o 65.847  1.8821 214.259  12.233  219.014  15.354  205.996  20.241  66.550  2.3374 64.488  3.1800 2.062836       3.946586  
1 1 1 12  12  21 o 126.016 2.2216 785.366  27.633  791.566  39.943  779.674  38.268  126.368 3.2023 125.434 3.0909 0.9339752      4.450711  
1 1 1 12  12  22 o 53.297  2.5453 140.661  13.390  133.057  19.908  146.944  18.094  51.569  3.9410 54.300  3.3931 -2.730785      5.200435  
1 1 1 12  12  23 o 7.0651  2.6188 1.9039   2.4272  1.7434   2.4703  6.3806   13.049  6.9769  2.6308 14.996  5.9375 -8.018806      6.494196  
1 1 1 12  12  24 o 105.500 2.1486 551.240  22.373  548.628  31.997  553.740  31.296  105.053 3.0858 105.561 3.0036 -0.5084076     4.306302  
1 1 1 12  12  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  12  26 o 48.455  13.664 141.061  68.173  141.061  68.173  0.0000   0.0000  48.455  13.664 ?       ?      0.000000       13.66375  
1 1 1 12  13  0  o 44.130  1.4858 96.173   6.4718  91.411   8.8397  101.674  9.5011  43.010  2.0823 45.359  2.1221 -2.349041      2.973094  
1 1 1 12  13  1  o 104.763 1.8180 542.126  18.799  553.499  23.510  521.958  31.307  105.831 2.2506 102.710 3.0882 3.121140       3.821260  
1 1 1 12  13  2  o 169.059 2.1690 1412.19  36.193  1419.39  51.022  1404.90  51.349  169.391 3.0517 168.519 3.0871 0.8714600      4.340826  
1 1 1 12  13  3  f 191.358 2.5065 1809.92  47.343  1807.94  64.454  1812.23  69.767  191.129 3.4166 191.309 3.6947 -0.1805573     5.032283  
1 1 1 12  13  4  o 235.112 2.9892 2733.82  69.368  2712.59  94.347  2758.80  102.341 233.983 4.0852 235.895 4.3954 -1.911804      6.000688  
1 1 1 12  13  5  o 93.798  1.8799 434.559  17.405  446.291  30.036  428.628  21.356  94.981  3.2038 93.135  2.3231 1.845627       3.957450  
1 1 1 12  13  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  13  7  o 101.895 6.0923 518.611  60.992  521.524  86.265  515.699  86.247  101.559 8.6892 100.973 8.7400 0.5863953      12.32436  
1 1 1 12  13  8  o 110.506 1.5617 603.006  17.034  648.674  25.312  565.209  23.028  114.580 2.2382 106.958 2.1813 7.622009       3.125274  
1 1 1 12  13  9  o 72.738  1.2554 261.212  9.0134  267.573  12.926  255.190  12.575  73.605  1.7791 71.882  1.7724 1.723167       2.511341  
1 1 1 12  13  10 o 80.839  1.6872 322.735  13.462  331.806  19.654  314.717  18.477  81.938  2.4301 79.804  2.3457 2.134026       3.377568  
1 1 1 12  13  11 o 83.399  2.3202 343.710  19.099  0.0000   0.0000  343.710  19.099  ?       ?      83.399  2.3202 0.000000       2.320175  
1 1 1 12  13  12 o 30.830  1.0613 46.920   3.2294  48.438   4.6029  45.449   4.5320  31.320  1.4890 30.338  1.5135 0.9817600      2.123095  
1 1 1 12  13  13 o 149.897 2.5340 1110.70  37.492  1141.39  52.035  1077.57  54.067  151.846 3.4719 147.507 3.7135 4.338333       5.083700  
1 1 1 12  13  14 f 104.520 1.7249 539.562  17.795  545.948  24.653  532.614  25.712  105.101 2.3764 103.800 2.5096 1.300186       3.456213  
1 1 1 12  13  15 o 92.205  1.6341 419.879  14.872  432.235  21.143  407.779  20.922  93.519  2.2905 90.833  2.3336 2.686623       3.269890  
1 1 1 12  13  16 o 48.531  3.1837 117.063  15.166  130.296  22.391  105.847  20.615  51.044  4.4899 45.948  4.6075 5.095657       6.433365  
1 1 1 12  13  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  13  18 o 126.065 2.2486 785.582  27.980  777.255  38.892  794.515  40.283  125.299 3.1447 126.673 3.2218 -1.373711      4.502155  
1 1 1 12  13  19 o 37.327  3.4983 69.654   12.739  67.487   17.588  72.046   18.475  36.488  5.0161 37.706  5.0946 -1.218235      7.149588  
1 1 1 12  13  20 o 83.638  1.8098 345.672  14.941  326.364  20.804  366.234  21.470  81.213  2.5953 86.037  2.5282 -4.823555      3.623177  
1 1 1 12  13  21 o 107.301 2.0080 569.270  21.266  588.139  30.421  551.236  29.741  108.965 2.8285 105.487 2.8564 3.477745       4.019875  
1 1 1 12  13  22 o 44.252  1.4027 96.749   6.1267  102.651  54.886  96.675   6.1653  43.166  12.291 44.235  1.4121 -1.068935      12.37175  
1 1 1 12  13  23 o 29.672  1.2488 43.497   3.6573  40.414   5.2555  46.393   5.0928  28.521  1.8774 30.584  1.6937 -2.063007      2.528475  
1 1 1 12  13  24 o ?       ?      -6.7480  1.7825  -6.6431  1.7862  -31.7664 27.592  ?       ?      14.743  7.0015 0.000000       7.001523  
1 1 1 12  13  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  13  26 o 19.189  6.0665 18.680   12.865  27.536   23.092  14.694   15.492  23.646  8.1544 18.313  6.6439 5.332470       10.51836  
1 1 1 12  14  0  o 96.650  1.5632 461.412  14.912  441.102  20.898  482.484  21.286  94.456  2.2415 98.792  2.1829 -4.335854      3.128808  
1 1 1 12  14  1  o 162.735 2.2114 1308.97  35.520  1315.73  50.482  1302.34  49.987  163.028 3.1372 162.199 3.1223 0.8293457      4.426175  
1 1 1 12  14  2  o 58.117  1.8854 166.862  10.816  150.340  20.639  173.117  12.699  54.946  3.8294 59.187  2.1737 -4.240646      4.403376  
1 1 1 12  14  3  o 167.249 2.2442 1382.35  37.047  1424.80  52.761  1341.07  52.032  169.686 3.1501 164.617 3.2023 5.069046       4.491994  
1 1 1 12  14  4  o 35.663  2.2602 63.104   7.9150  63.979   11.900  62.409   10.600  35.790  3.4097 35.386  3.0651 0.4043732      4.584867  
1 1 1 12  14  5  o 167.083 6.6365 1393.12  109.448 1344.68  154.732 1441.62  154.833 162.881 9.6677 168.820 9.3282 -5.938248      13.43425  
1 1 1 12  14  6  o 142.961 7.4177 1025.15  104.309 922.704  180.422 1076.59  127.840 132.912 13.961 145.997 8.9140 -13.08583      16.56450  
1 1 1 12  14  7  o 128.326 2.1946 813.682  27.797  791.123  46.598  826.145  34.635  126.391 3.7352 129.264 2.7146 -2.872978      4.617444  
1 1 1 12  14  8  o 56.663  1.5984 158.557  8.9394  165.590  11.024  145.052  15.277  57.898  1.9290 54.082  2.8721 3.815727       3.459781  
1 1 1 12  14  9  o 184.947 2.6189 1691.01  47.807  1678.28  67.995  1703.45  67.231  184.085 3.7422 185.472 3.6725 -1.387161      5.243169  
1 1 1 12  14  10 o 73.114  1.5969 263.990  11.524  274.529  17.061  255.148  15.628  74.532  2.3192 71.858  2.2035 2.674271       3.199021  
1 1 1 12  14  11 o 96.090  1.7365 456.032  16.469  431.527  23.640  479.143  22.958  93.430  2.5635 98.462  2.3622 -5.032372      3.485895  
1 1 1 12  14  12 o 64.670  2.4743 206.734  15.794  0.0000   0.0000  206.734  15.794  ?       ?      64.670  2.4743 0.000000       2.474252  
1 1 1 12  14  13 f 73.113  1.8384 264.052  13.267  273.951  20.117  256.434  17.648  74.429  2.7383 72.024  2.4825 2.405930       3.696117  
1 1 1 12  14  14 f 145.792 2.2085 1050.41  31.781  1095.06  47.033  1012.89  43.112  148.747 3.2035 143.076 3.0528 5.670715       4.425112  
1 1 1 12  14  15 o 76.817  1.8681 291.515  14.164  301.756  21.420  283.557  18.882  78.108  2.7784 75.730  2.5261 2.377434       3.755063  
1 1 1 12  14  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  14  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  14  18 o 139.225 2.3130 958.380  31.786  1026.23  45.326  892.718  44.588  143.951 3.1900 134.234 3.3653 9.716797       4.636957  
1 1 1 12  14  19 o 77.012  2.2944 293.280  17.441  285.504  25.807  299.818  23.662  75.890  3.4453 77.804  3.0811 -1.913940      4.622047  
1 1 1 12  14  20 o 19.483  6.0047 19.014   12.691  8.3798   21.109  25.033   15.881  18.600  7.4886 22.205  6.6922 -3.605228      10.04316  
1 1 1 12  14  21 o 112.415 2.2275 625.226  24.715  618.621  36.056  631.080  33.945  111.658 3.2715 112.817 3.0484 -1.158722      4.471663  
1 1 1 12  14  22 o 57.303  2.6974 162.768  15.257  165.637  24.241  160.886  19.633  57.456  4.3059 56.777  3.5206 0.6789474      5.561928  
1 1 1 12  14  23 o 39.767  5.8693 81.591   22.345  0.0000   0.0000  81.591   22.345  ?       ?      39.767  5.8693 0.000000       5.869252  
1 1 1 12  14  24 f 108.347 9.3837 626.740  99.360  0.0000   0.0000  626.740  99.360  ?       ?      108.347 9.3837 0.000000       9.383670  
1 1 1 12  14  25 o 49.981  6.8914 130.870  33.093  0.0000   0.0000  130.870  33.093  ?       ?      49.981  6.8914 0.000000       6.891402  
1 1 1 12  14  26 o 68.478  2.0867 232.474  14.104  224.025  17.603  247.624  23.572  67.128  2.6568 70.413  3.3916 -3.285194      4.308321  
1 1 1 12  15  0  o 61.766  1.6380 188.503  9.9862  185.378  12.484  194.057  16.641  61.230  2.0656 62.606  2.6930 -1.375610      3.393961  
1 1 1 12  15  1  o 51.117  1.7465 129.105  8.8118  119.372  12.672  138.219  12.262  49.046  2.6272 52.865  2.3499 -3.818909      3.524754  
1 1 1 12  15  2  o 40.250  2.2498 80.339   8.9023  85.146   15.864  78.130   10.755  41.241  3.9453 39.641  2.7662 1.600555       4.818408  
1 1 1 12  15  3  o 203.657 2.6220 2051.33  52.707  2015.50  74.904  2086.46  74.178  201.643 3.7635 205.185 3.6627 -3.542633      5.251548  
1 1 1 12  15  4  o 138.908 1.9876 953.365  27.251  915.263  38.475  991.722  38.603  136.019 2.8658 141.598 2.7621 -5.579514      3.980192  
1 1 1 12  15  5  o 51.571  6.0917 134.410  30.409  121.762  42.966  147.104  43.044  48.308  9.3490 53.450  8.4390 -5.141869      12.59449  
1 1 1 12  15  6  o 62.578  6.0506 196.973  36.906  207.077  52.276  186.932  52.111  63.606  8.5426 60.248  9.0420 3.357449       12.43917  
1 1 1 12  15  7  o 175.168 2.2983 1516.47  39.738  1495.80  56.530  1536.67  55.870  173.838 3.2946 176.209 3.2123 -2.371567      4.601461  
1 1 1 12  15  8  o 178.560 2.2235 1575.62  39.188  1564.31  55.853  1586.59  54.999  177.793 3.1827 179.066 3.1118 -1.272736      4.451154  
1 1 1 12  15  9  o 121.523 1.8703 729.516  22.433  757.657  31.863  701.855  31.590  123.789 2.6078 119.137 2.6864 4.652527       3.743936  
1 1 1 12  15  10 o 140.352 1.8544 973.087  25.689  959.787  36.633  985.955  36.034  139.320 2.6640 141.214 2.5853 -1.894424      3.712191  
1 1 1 12  15  11 o 122.996 1.9203 747.359  23.312  731.407  32.985  763.279  32.952  121.611 2.7480 124.238 2.6872 -2.627068      3.843473  
1 1 1 12  15  12 o 104.344 1.8455 537.846  19.007  522.022  27.038  553.304  26.725  102.743 2.6662 105.785 2.5595 -3.042038      3.695896  
1 1 1 12  15  13 f 144.156 3.7135 1029.70  52.839  892.442  123.759 1060.30  58.432  132.416 9.5328 146.227 4.0485 -13.81142      10.35683  
1 1 1 12  15  14 o 62.260  1.2810 191.397  7.8720  189.869  11.115  192.934  11.151  61.996  1.8163 62.494  1.8078 -0.4986534     2.562627  
1 1 1 12  15  15 o 44.168  6.2614 99.318   26.533  106.871  37.660  91.873   37.387  45.275  8.7440 41.801  9.3014 3.473770       12.76608  
1 1 1 12  15  16 o 89.500  6.2319 402.226  54.708  430.059  77.353  374.369  77.386  91.855  8.6330 85.419  9.3303 6.436600       12.71159  
1 1 1 12  15  17 o 79.077  1.3848 308.815  10.808  299.810  15.371  317.624  15.201  77.888  1.9994 80.172  1.9210 -2.284859      2.772686  
1 1 1 12  15  18 o 130.355 2.2596 840.221  29.073  885.563  41.798  797.723  40.465  133.702 3.1672 126.888 3.2309 6.813889       4.524412  
1 1 1 12  15  19 o 161.131 2.6567 1285.11  42.253  1304.65  60.257  1266.21  59.264  162.111 3.7658 159.706 3.7596 2.404541       5.321263  
1 1 1 12  15  20 o 81.974  1.4884 331.983  12.043  348.671  17.049  315.365  17.014  83.969  2.0570 79.849  2.1587 4.119293       2.981839  
1 1 1 12  15  21 o 51.744  1.0856 132.225  5.5445  125.670  7.8645  138.702  7.8178  50.427  1.5801 52.981  1.4950 -2.554050      2.175219  
1 1 1 12  15  22 o 70.657  1.7839 246.912  12.441  264.212  17.756  230.228  17.437  73.021  2.4636 68.148  2.5923 4.872467       3.576262  
1 1 1 12  15  23 o 18.828  1.3609 17.612   2.5121  18.018   2.5471  3.1643   15.203  19.044  1.3641 14.973  6.2275 4.071700       6.375170  
1 1 1 12  15  24 o 21.233  6.7776 22.919   16.028  27.027   22.568  18.738   22.767  23.469  8.0632 21.288  7.9947 2.181204       11.35479  
1 1 1 12  15  25 o 91.127  2.1988 411.817  19.777  429.113  32.117  401.253  25.101  92.674  3.5111 89.807  2.8316 2.866180       4.510684  
1 1 1 12  15  26 f 126.546 2.4428 795.576  30.512  796.194  45.441  795.069  41.173  126.081 3.6515 126.159 3.3065 -0.7746887E-01 4.926046  
1 1 1 12  16  0  f 99.172  1.6663 486.133  16.310  491.906  24.416  481.481  21.918  99.665  2.4820 98.634  2.2514 1.031822       3.350959  
1 1 1 12  16  1  o 64.589  1.5370 206.117  9.7986  194.861  14.252  216.208  13.494  62.756  2.3008 66.120  2.0676 -3.364368      3.093348  
1 1 1 12  16  2  o 136.986 1.9624 927.619  26.534  929.289  37.923  926.018  37.140  136.992 2.8046 136.759 2.7514 0.2326965      3.928847  
1 1 1 12  16  3  o 17.672  4.5713 16.116   8.0337  22.223   18.702  14.733   8.8963  21.719  7.3416 17.042  4.9775 4.676069       8.869814  
1 1 1 12  16  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  16  5  o 37.737  6.4203 73.130   23.058  66.879   32.624  79.370   32.593  35.659  9.2059 38.890  8.7078 -3.230747      12.67181  
1 1 1 12  16  6  o 115.518 1.8225 659.254  20.780  655.013  29.823  663.255  28.969  115.081 2.6255 115.812 2.5343 -0.7303467     3.649109  
1 1 1 12  16  7  o 83.804  1.7187 346.913  14.216  351.797  21.061  342.825  19.268  84.347  2.5298 83.276  2.3441 1.070961       3.448851  
1 1 1 12  16  8  o 61.301  1.8909 185.656  11.441  195.092  17.377  178.436  15.201  62.799  2.8034 60.070  2.5637 2.728870       3.798916  
1 1 1 12  16  9  o 121.761 1.8891 732.461  22.703  753.572  32.655  712.710  31.586  123.436 2.6802 120.044 2.6658 3.391914       3.780217  
1 1 1 12  16  10 o 126.656 2.3593 793.021  29.495  788.799  38.068  799.362  46.653  126.246 3.0550 127.002 3.7216 -0.7559738     4.814907  
1 1 1 12  16  11 o 36.509  3.1624 66.473   11.283  58.132   18.741  71.216   14.132  33.674  5.8510 37.708  3.8509 -4.034317      7.004606  
1 1 1 12  16  12 o 69.598  1.5220 239.224  10.455  262.182  15.403  219.611  14.237  72.835  2.1426 66.659  2.1638 6.175926       3.045152  
1 1 1 12  16  13 o 111.962 1.9257 619.388  21.281  620.170  30.472  618.644  29.734  111.963 2.7573 111.831 2.6937 0.1316986      3.854754  
1 1 1 12  16  14 o 41.244  7.3234 87.860   28.721  98.880   50.353  82.546   34.967  43.067  11.590 39.595  9.1333 3.471569       14.75632  
1 1 1 12  16  15 o 102.445 6.1613 526.553  62.012  494.650  87.420  558.867  87.979  98.331  9.1106 104.767 8.5833 -6.435669      12.51702  
1 1 1 12  16  16 o 57.028  2.6339 160.908  14.826  171.266  22.338  152.753  19.821  58.622  3.8825 55.382  3.6463 3.240009       5.326297  
1 1 1 12  16  17 o 216.601 2.9997 2323.48  64.132  2312.65  91.123  2334.11  90.275  215.706 4.2799 216.726 4.2201 -1.019745      6.010532  
1 1 1 12  16  18 o 33.991  1.1895 57.054   3.9908  72.489   5.7170  42.385   5.5735  38.307  1.5120 29.218  1.9437 9.088581       2.462548  
1 1 1 12  16  19 o 58.253  1.1376 167.575  6.5412  170.174  9.2696  164.997  9.2319  58.686  1.6003 57.785  1.6186 0.9004745      2.276127  
1 1 1 12  16  20 o 59.799  2.5282 177.093  14.922  165.131  21.988  187.307  20.317  57.478  3.8987 61.326  3.3694 -3.848000      5.152960  
1 1 1 12  16  21 o 61.118  2.6910 185.199  16.234  204.537  24.533  170.134  21.653  63.953  3.9051 58.331  3.7812 5.621655       5.435753  
1 1 1 12  16  22 o 81.508  2.3193 329.196  18.659  358.282  27.686  304.990  25.257  84.856  3.3056 78.299  3.2681 6.557571       4.648345  
1 1 1 12  16  23 o 37.980  6.7640 76.020   24.427  90.382   34.847  62.145   34.252  40.691  8.9220 33.626  9.7510 7.064888       13.21686  
1 1 1 12  16  24 o 87.581  2.3140 380.579  20.004  375.301  29.344  385.161  27.341  86.696  3.4292 87.907  3.1511 -1.211128      4.657093  
1 1 1 12  16  25 o 48.269  3.6088 117.222  17.069  110.228  23.414  125.156  24.937  46.320  5.2117 49.397  5.1923 -3.077000      7.356781  
1 1 1 12  16  26 o 73.074  1.4955 264.237  10.787  240.959  15.261  287.479  15.249  69.668  2.2193 76.134  2.0292 -6.465416      3.007146  
1 1 1 12  17  0  o 59.442  1.7277 174.725  10.137  160.680  16.947  182.549  12.648  56.806  3.0335 60.729  2.1101 -3.922554      3.695247  
1 1 1 12  17  1  o 128.783 1.9101 820.333  24.281  856.911  34.909  786.056  33.794  131.479 2.6900 125.920 2.7190 5.559021       3.824788  
1 1 1 12  17  2  o 50.826  1.8431 127.725  9.2465  131.219  13.433  124.578  12.747  51.398  2.6570 50.085  2.5873 1.312683       3.708592  
1 1 1 12  17  3  o 54.447  1.7980 146.529  9.6625  144.490  14.494  148.160  12.964  53.943  2.7310 54.716  2.4004 -0.7723351     3.635990  
1 1 1 12  17  4  o 51.087  6.3891 133.006  31.512  133.390  44.438  132.618  44.692  50.335  9.2865 50.159  9.3719 0.1768379      13.19359  
1 1 1 12  17  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  17  6  o 10.186  2.0764 5.3163   2.0168  5.2818   2.0691  5.9737   9.0308  10.147  2.1336 13.151  5.0129 -3.004252      5.448117  
1 1 1 12  17  7  o 110.181 1.8816 599.879  20.463  628.360  29.450  573.291  28.455  112.697 2.6475 107.642 2.6782 5.054634       3.765914  
1 1 1 12  17  8  o 68.129  1.3406 229.213  9.0150  247.907  12.880  211.260  12.622  70.833  1.8422 65.384  1.9558 5.449615       2.686844  
1 1 1 12  17  9  o 64.534  2.1265 205.852  13.545  219.867  17.072  182.036  22.255  66.670  2.5943 60.474  3.7470 6.196129       4.557426  
1 1 1 12  17  10 o 71.231  1.6815 250.648  11.823  267.500  18.786  239.597  15.213  73.538  2.5882 69.619  2.2139 3.919556       3.405867  
1 1 1 12  17  11 o 47.550  2.3078 111.789  10.832  112.518  15.617  111.113  15.035  47.540  3.3497 47.254  3.2432 0.2863693      4.662520  
1 1 1 12  17  12 o 41.621  2.5593 86.009   10.463  89.490   14.813  82.544   14.780  42.339  3.5781 40.630  3.7272 1.709347       5.166700  
1 1 1 12  17  13 o 111.670 1.9460 616.260  21.450  581.914  30.441  650.127  30.229  108.429 2.8443 114.628 2.6717 -6.198730      3.902367  
1 1 1 12  17  14 o 146.309 6.5042 1073.07  93.928  1061.18  132.799 1084.97  132.870 144.014 9.3938 145.683 9.2886 -1.669113      13.21071  
1 1 1 12  17  15 o 79.607  2.9426 313.810  23.121  313.810  23.121  0.0000   0.0000  79.607  2.9426 ?       ?      0.000000       2.942585  
1 1 1 12  17  16 f 64.245  1.4576 203.877  9.2431  194.365  13.079  213.368  13.065  62.699  2.1134 65.698  2.0147 -2.999210      2.919835  
1 1 1 12  17  17 o 69.740  2.3119 240.600  15.914  253.763  23.547  229.532  21.591  71.531  3.3351 68.042  3.2149 3.488914       4.632325  
1 1 1 12  17  18 o 51.290  0.9604 129.884  4.8620  122.495  6.8980  137.180  6.8541  49.797  1.4034 52.700  1.3177 -2.903332      1.925060  
1 1 1 12  17  19 o 70.723  2.3689 247.608  16.537  266.011  24.582  232.395  22.350  73.185  3.4029 68.416  3.3097 4.768684       4.746991  
1 1 1 12  17  20 o 34.609  3.6739 60.267   12.358  58.945   18.357  61.362   16.713  33.779  5.7094 34.643  5.0351 -0.8641090     7.612476  
1 1 1 12  17  21 o 82.605  2.4108 338.184  19.656  334.219  29.133  341.498  26.631  81.906  3.6036 82.865  3.2560 -0.9585495     4.856705  
1 1 1 12  17  22 o 72.830  6.3193 272.534  44.976  283.071  63.515  261.937  63.697  72.795  9.0340 69.715  9.5045 3.079338       13.11287  
1 1 1 12  17  23 o 47.069  4.7868 112.870  21.929  123.503  42.504  109.013  25.600  47.330  9.4294 45.927  5.7749 1.403267       11.05727  
1 1 1 12  17  24 o 36.756  3.6346 68.257   13.013  64.492   19.365  71.358   17.572  35.104  5.7910 37.249  4.8982 -2.145237      7.584706  
1 1 1 12  17  25 o 14.722  5.5266 8.5130   10.877  22.108   19.036  1.9216   13.254  21.304  7.4004 13.701  5.7646 7.603184       9.380610  
1 1 1 12  17  26 o 23.769  5.2495 29.944   11.987  42.798   17.758  19.184   16.247  28.151  6.5191 19.808  6.8393 8.343262       9.448585  
1 1 1 12  18  0  o 31.067  2.4541 48.140   7.4640  54.614   11.978  44.031   9.5433  32.887  3.7576 29.566  3.3281 3.320623       5.019553  
1 1 1 12  18  1  o 13.272  4.8023 7.3759   8.0864  -1.4362  12.926  13.043   10.365  12.801  5.5457 16.469  5.4645 -3.667933      7.785593  
1 1 1 12  18  2  o 69.319  1.7176 237.616  11.752  260.470  18.075  220.881  15.467  72.492  2.5261 66.775  2.3467 5.716240       3.447904  
1 1 1 12  18  3  o 44.305  2.4220 97.516   10.552  98.089   15.826  97.057   14.158  44.252  3.6561 44.081  3.2773 0.1707306      4.909961  
1 1 1 12  18  4  o 71.750  6.2269 261.358  43.662  290.109  61.867  232.828  61.628  74.745  8.5390 66.390  9.6901 8.355057       12.91559  
1 1 1 12  18  5  o 24.621  4.2473 31.028   9.9486  23.205   25.301  32.458   10.820  23.284  8.4840 25.142  4.5266 -1.858267      9.616040  
1 1 1 12  18  6  o 55.501  1.6649 152.218  9.1206  163.815  16.358  146.986  10.987  57.429  2.8951 54.521  2.0416 2.908073       3.542544  
1 1 1 12  18  7  o 65.207  1.9407 210.187  12.491  210.079  19.075  210.269  16.527  65.118  2.9678 65.179  2.5689 -0.6087494E-01 3.925153  
1 1 1 12  18  8  o 46.954  1.5093 108.910  6.9947  114.930  15.644  107.405  7.8200  48.034  3.3200 46.623  1.6993 1.410892       3.729602  
1 1 1 12  18  9  o 106.549 1.8877 561.089  19.853  542.692  28.409  578.648  27.754  104.703 2.7490 108.133 2.6004 -3.430328      3.784007  
1 1 1 12  18  10 o 90.275  1.8886 402.771  16.828  393.694  24.217  411.246  23.401  89.180  2.7512 91.161  2.6007 -1.980934      3.785882  
1 1 1 12  18  11 o 79.857  1.8374 315.155  14.483  313.291  22.534  316.466  18.904  79.543  2.8702 79.986  2.3945 -0.4422150     3.737856  
1 1 1 12  18  12 f 27.350  1.5482 37.070   4.1623  37.571   4.3656  32.062   13.800  27.530  1.6136 24.836  5.7438 2.694250       5.966155  
1 1 1 12  18  13 o 24.376  6.7741 30.774   16.885  29.218   23.646  32.394   24.118  24.643  8.2555 25.612  8.3277 -0.9690285     11.72623  
1 1 1 12  18  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  18  15 o 40.905  3.4147 83.581   13.661  83.224   19.623  83.916   19.029  40.538  5.0110 40.745  4.8253 -0.2074509     6.956513  
1 1 1 12  18  16 o 41.364  3.9872 85.856   16.077  88.152   18.076  77.162   35.175  41.835  4.4456 38.010  9.4227 3.825054       10.41876  
1 1 1 12  18  17 o 89.435  2.2007 395.750  19.427  400.043  28.455  392.001  26.588  89.791  3.2107 88.910  3.0297 0.8810043      4.414489  
1 1 1 12  18  18 o 65.759  1.7123 213.770  11.114  210.301  15.972  217.026  15.475  65.162  2.4832 66.206  2.3681 -1.044220      3.431397  
1 1 1 12  18  19 o 62.784  2.4108 195.270  14.940  188.312  21.930  201.295  20.408  61.404  3.6346 63.564  3.2639 -2.160076      4.884981  
1 1 1 12  18  20 o 92.000  2.2278 419.247  20.230  399.680  29.341  436.978  27.930  89.629  3.3166 93.783  3.0173 -4.153992      4.483772  
1 1 1 12  18  21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  18  22 o 22.832  6.7271 27.400   16.187  24.511   22.327  30.602   23.501  22.689  8.0058 24.567  8.2301 -1.877716      11.48164  
1 1 1 12  18  23 o 7.9816  2.1964 3.2577   1.7848  9.7614   2.6854  -1.8880  2.3887  13.890  2.0178 4.7558  2.1924 9.134291       2.979614  
1 1 1 12  18  24 o 4.5954  2.0313 -0.5915  1.8130  -2.6915  2.7741  0.9742   2.3953  4.9352  2.3049 6.3330  2.5322 -1.397813      3.424081  
1 1 1 12  18  25 o 57.884  1.8971 166.121  10.839  142.461  25.027  171.583  12.025  52.728  4.8635 58.802  2.0719 -6.073330      5.286465  
1 1 1 12  18  26 f 28.632  7.7255 45.512   22.337  49.245   30.739  41.335   32.515  29.553  9.3811 27.702  9.6692 1.851549       13.47212  
1 1 1 12  19  0  o 23.701  3.2198 28.470   7.3375  26.264   12.261  29.701   9.1582  22.341  5.5776 24.059  3.9968 -1.717762      6.861775  
1 1 1 12  19  1  o 73.419  1.6723 266.625  12.119  263.912  17.281  269.250  16.999  72.957  2.3998 73.700  2.3368 -0.7429276     3.349572  
1 1 1 12  19  2  o 30.123  2.9895 45.530   8.7712  43.695   14.025  46.708   11.241  29.065  5.0733 30.357  3.8372 -1.291523      6.361049  
1 1 1 12  19  3  o 167.653 6.8344 1436.31  113.096 1474.35  160.149 1398.47  159.735 166.677 9.7773 162.015 10.038 4.662445       14.01288  
1 1 1 12  19  4  o 88.001  6.3195 394.877  54.526  410.835  77.350  379.113  76.875  88.355  8.9949 84.631  9.3595 3.723663       12.98104  
1 1 1 12  19  5  o 21.766  3.8982 24.310   8.0672  17.591   12.282  29.407   10.698  18.768  5.9269 23.835  4.7145 -5.066717      7.573263  
1 1 1 12  19  6  o 26.026  7.3367 35.480   19.658  36.814   27.414  34.068   28.205  27.066  8.8822 26.453  9.0156 0.6137085      12.65603  
1 1 1 12  19  7  o 34.374  2.8222 58.963   9.4910  58.586   14.578  59.241   12.504  33.986  4.4530 34.311  3.7533 -0.3256645     5.823799  
1 1 1 12  19  8  o 76.428  1.7624 288.752  13.295  284.601  20.641  291.695  17.380  75.786  2.7594 76.772  2.2936 -0.9865875     3.588114  
1 1 1 12  19  9  o 80.146  1.6964 317.471  13.420  304.717  17.803  334.252  20.421  78.471  2.2986 82.164  2.5181 -3.692909      3.409399  
1 1 1 12  19  10 o 23.116  5.1665 27.754   11.492  33.179   17.649  23.762   15.141  25.224  6.8928 21.621  6.5385 3.602888       9.500661  
1 1 1 12  19  11 o 109.812 2.0617 596.371  22.347  615.415  32.851  579.968  30.488  111.424 2.9870 108.188 2.8550 3.236038       4.131979  
1 1 1 12  19  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  19  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  19  14 o 40.455  2.8767 81.525   11.412  70.596   15.589  94.148   16.753  37.402  4.3009 43.323  3.9616 -5.921299      5.847387  
1 1 1 12  19  15 o 34.766  3.8325 60.843   12.933  56.874   21.774  63.007   16.076  32.933  6.9184 35.208  4.7470 -2.275093      8.390352  
1 1 1 12  19  16 o 104.710 1.9771 542.341  20.434  507.152  29.169  576.252  28.634  101.119 2.9225 107.828 2.6904 -6.709839      3.972315  
1 1 1 12  19  17 f 80.555  3.0081 322.089  23.918  311.984  25.343  404.447  72.351  79.245  3.2400 88.220  8.4108 -8.975037      9.013262  
1 1 1 12  19  18 o 78.241  1.7354 302.750  13.402  300.900  19.209  304.505  18.707  77.914  2.4979 78.390  2.4177 -0.4760590     3.476297  
1 1 1 12  19  19 o 57.083  2.6223 161.675  14.775  180.624  22.068  146.279  19.891  60.058  3.7412 54.021  3.7538 6.037418       5.299751  
1 1 1 12  19  20 o 55.435  2.4551 152.467  13.434  163.569  30.959  149.892  14.910  56.533  5.6229 54.859  2.7625 1.674011       6.264825  
1 1 1 12  19  21 o 103.924 6.3917 556.580  65.246  527.472  91.768  586.337  92.784  98.656  9.5432 104.475 9.0882 -5.818451      13.17831  
1 1 1 12  19  22 o 69.997  1.8094 242.683  12.501  225.255  17.853  259.450  17.511  67.289  2.6880 72.264  2.4550 -4.974968      3.640367  
1 1 1 12  19  23 o 30.119  1.2393 44.853   3.6841  36.491   5.3021  52.659   5.1228  27.054  1.9998 32.615  1.5913 -5.561565      2.555653  
1 1 1 12  19  24 o 27.297  0.8452 36.807   2.2772  39.432   3.2827  34.373   3.1617  28.241  1.1776 26.366  1.2149 1.875313       1.691986  
1 1 1 12  19  25 f 29.656  0.8854 43.454   2.5918  47.449   3.7361  39.747   3.5984  30.974  1.2220 28.346  1.2861 2.628214       1.774137  
1 1 1 12  20  1  o 10.994  4.4205 2.8990   7.3450  0.8142   12.735  3.9383   8.9913  13.213  5.6097 12.275  4.9067 0.9376602      7.452809  
1 1 1 12  20  2  o 9.7217  4.1499 -0.0601  7.0378  -6.9325  11.328  4.2605   8.9817  10.673  4.8653 12.398  4.9206 -1.725011      6.919773  
1 1 1 12  20  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  20  4  o 24.194  4.0415 30.044   9.3109  42.574   17.478  25.080   11.002  28.354  6.3973 21.870  5.1770 6.483650       8.229616  
1 1 1 12  20  5  o 53.965  1.9839 144.187  10.567  148.029  16.593  141.565  13.706  54.468  3.0992 53.411  2.5999 1.056881       4.045298  
1 1 1 12  20  6  o 37.024  2.5426 68.304   9.2352  73.096   15.179  65.488   11.637  38.024  4.1097 36.129  3.2997 1.895790       5.270443  
1 1 1 12  20  7  o 44.341  6.8301 102.405  28.933  99.430   41.413  105.242  40.439  42.575  10.021 43.978  9.5866 -1.402420      13.86822  
1 1 1 12  20  8  o 45.590  1.7894 102.803  8.0523  121.639  15.945  96.355   9.3293  49.355  3.2920 44.116  2.1425 5.238327       3.927778  
1 1 1 12  20  9  o 42.320  2.4573 89.036   10.220  86.070   15.251  91.454   13.770  41.401  3.7736 42.772  3.2867 -1.371365      5.004257  
1 1 1 12  20  10 o 150.689 2.3194 1124.49  34.497  1146.09  49.702  1104.41  47.919  151.858 3.3159 149.089 3.2563 2.768280       4.647473  
1 1 1 12  20  11 f 31.265  8.2850 52.104   25.977  76.015   44.911  40.082   31.845  37.414  11.249 28.378  9.5801 9.035580       14.77570  
1 1 1 12  20  12 o 89.235  6.3273 404.731  55.368  394.512  78.368  414.917  78.236  86.662  9.3075 89.052  9.0255 -2.389618      12.96490  
1 1 1 12  20  13 o 63.695  1.8701 200.673  11.757  200.550  14.500  200.908  20.088  63.639  2.3085 63.515  3.2147 0.1240082      3.957733  
1 1 1 12  20  14 f 34.787  3.5837 60.846   12.129  62.308   18.553  59.755   16.028  34.765  5.5968 34.201  4.8869 0.5646477      7.430097  
1 1 1 12  20  15 o 91.607  2.0321 415.326  18.374  403.899  26.769  425.505  25.265  90.186  3.0072 92.611  2.7639 -2.425186      4.084407  
1 1 1 12  20  16 o 69.548  1.6697 239.199  11.462  232.050  16.449  245.949  15.982  68.423  2.4355 70.459  2.2980 -2.035942      3.348537  
1 1 1 12  20  17 o 35.561  3.4550 63.569   11.974  64.376   17.877  62.912   16.126  35.370  5.2824 35.086  4.7809 0.2842064      7.124694  
1 1 1 12  20  18 o 18.482  1.7728 17.057   3.1943  16.155   14.624  17.102   3.2733  18.635  6.4858 18.501  1.8159 0.1342812      6.735179  
1 1 1 12  20  19 o 19.375  5.2924 19.635   10.407  25.023   15.552  15.264   14.006  21.930  6.6255 18.144  6.3453 3.785501       9.173875  
1 1 1 12  20  20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  20  21 o 9.3084  2.2912 4.4726   2.0909  6.2151   3.0891  2.9995   2.8403  10.967  2.8336 8.2087  2.8582 2.758183       4.024727  
1 1 1 12  20  22 o 12.528  1.1968 7.8306   1.4620  18.098   2.1761  -0.6173  1.9738  19.099  1.1598 4.8081  2.1227 14.29076       2.418894  
1 1 1 12  20  23 o 102.756 2.5739 525.681  26.105  535.943  34.127  511.207  40.529  103.444 3.3424 100.669 4.0789 2.775078       5.273400  
1 1 1 12  20  24 o 37.620  1.4153 70.049   5.2554  68.741   7.5374  71.287   7.3315  37.151  2.0636 37.850  1.9692 -0.6990089     2.852468  
1 1 1 12  20  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  21  3  o 54.756  6.6717 156.551  35.312  160.425  50.885  152.952  49.043  53.750  9.9581 52.532  9.8196 1.218170       13.98530  
1 1 1 12  21  4  o 101.854 1.8118 513.608  18.215  520.724  26.912  507.592  24.743  102.371 2.6634 101.118 2.4791 1.253395       3.638613  
1 1 1 12  21  5  o 79.187  1.8735 310.482  14.643  313.496  21.580  307.909  19.935  79.419  2.7529 78.745  2.5648 0.6741028      3.762559  
1 1 1 12  21  6  o 12.391  4.6759 5.7066   7.8073  6.3516   12.068  5.2424   10.238  14.508  5.7210 13.343  5.2669 1.165039       7.776246  
1 1 1 12  21  7  o 75.501  1.8183 282.170  13.550  286.653  19.826  278.240  18.562  75.972  2.6440 74.872  2.5117 1.099983       3.646821  
1 1 1 12  21  8  o 100.291 6.4031 516.182  63.054  506.317  89.199  526.036  89.145  97.213  9.4140 99.272  9.2024 -2.058823      13.16466  
1 1 1 12  21  9  o 38.514  3.0963 74.270   11.671  71.924   15.341  77.493   17.982  37.671  4.1974 38.975  4.7741 -1.304207      6.356876  
1 1 1 12  21  10 o 86.784  6.2796 385.659  53.427  356.390  75.083  415.678  76.040  81.547  9.5068 88.609  8.8110 -7.062431      12.96198  
1 1 1 12  21  11 o 130.717 6.5326 872.614  84.286  885.030  119.421 860.291  118.977 129.036 9.4420 127.105 9.5533 1.930923       13.43194  
1 1 1 12  21  12 o 23.611  5.2766 29.199   11.988  34.109   20.239  26.545   14.878  25.462  7.5278 22.517  6.3950 2.944836       9.877459  
1 1 1 12  21  13 o 52.258  2.6120 135.524  13.473  131.295  20.794  138.584  17.687  51.056  4.1626 52.632  3.4233 -1.575523      5.389438  
1 1 1 12  21  14 o 55.311  2.5023 151.775  13.661  155.562  21.208  149.089  17.861  55.662  3.8845 54.611  3.3293 1.051041       5.116014  
1 1 1 12  21  15 o 49.558  1.3235 121.392  6.4739  131.210  9.2939  112.139  9.0230  51.487  1.8288 47.592  1.9208 3.895626       2.652182  
1 1 1 12  21  16 o 46.438  1.4945 106.647  6.8505  90.294   9.5600  123.907  9.8213  42.612  2.2812 50.016  1.9894 -7.403946      3.026863  
1 1 1 12  21  17 o 55.498  2.5308 152.960  13.863  158.973  20.951  148.276  18.490  56.236  3.7967 54.387  3.4623 1.848824       5.138361  
1 1 1 12  21  18 o 75.515  1.7785 282.375  13.256  278.804  18.985  285.772  18.517  74.901  2.5680 75.850  2.4734 -0.9491425     3.565435  
1 1 1 12  21  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  21  20 o 53.413  2.6866 142.399  14.119  139.593  21.124  144.664  18.981  52.490  4.1101 53.597  3.6088 -1.107697      5.469649  
1 1 1 12  21  21 o 22.897  1.0848 25.913   2.4517  25.211   3.5858  26.529   3.3597  22.505  1.6252 23.105  1.4810 -0.6002903     2.198786  
1 1 1 12  21  22 o 115.282 2.2276 660.407  25.347  683.305  36.345  638.725  35.367  116.864 3.1508 112.978 3.1716 3.886673       4.470646  
1 1 1 12  21  23 o 31.963  1.4330 50.576   4.5209  61.705   6.4898  40.083   6.3014  35.218  1.8737 28.300  2.2751 6.918192       2.947329  
1 1 1 12  21  24 o 39.101  1.1635 75.623   4.4906  70.403   6.3856  80.730   6.3164  37.678  1.7170 40.361  1.5855 -2.683311      2.337111  
1 1 1 12  22  5  o 133.843 2.1395 888.532  28.265  866.995  40.640  908.709  39.336  131.838 3.1231 135.049 2.9510 -3.211090      4.296740  
1 1 1 12  22  6  o 39.087  2.7722 76.385   10.626  92.598   16.504  64.906   13.887  42.790  3.9522 35.751  4.0040 7.038940       5.626033  
1 1 1 12  22  7  o 12.266  4.9995 3.1297   9.5398  3.3281   14.318  2.9713   12.793  14.569  6.0502 13.799  5.7236 0.7702227      8.328559  
1 1 1 12  22  8  o 42.239  1.6889 88.312   7.0413  86.244   15.072  88.890   7.9639  41.343  3.7337 42.360  1.9047 -1.017036      4.191506  
1 1 1 12  22  9  o 87.008  6.3835 391.249  54.439  359.876  75.995  424.316  78.021  81.125  9.6820 88.689  9.0391 -7.563713      13.24559  
1 1 1 12  22  10 o 47.329  6.7259 117.656  30.537  129.780  43.283  105.640  43.088  48.479  9.3846 43.219  10.255 5.259857       13.90097  
1 1 1 12  22  11 o 37.333  3.3426 70.109   12.186  75.318   18.817  66.346   15.994  38.245  5.1128 36.001  4.6065 2.243565       6.881941  
1 1 1 12  22  12 o 47.840  3.0169 114.447  14.173  134.007  26.102  106.269  16.877  51.144  5.2449 45.924  3.7561 5.219818       6.451204  
1 1 1 12  22  13 o 80.401  1.8346 320.145  14.559  343.432  19.502  290.830  21.881  83.176  2.3755 76.432  2.9004 6.743950       3.749058  
1 1 1 12  22  14 o 104.162 2.6929 539.578  27.686  549.072  37.738  528.511  40.742  104.739 3.6503 102.606 4.0229 2.133392       5.432178  
1 1 1 12  22  15 o 92.359  1.8770 422.602  17.111  423.592  24.820  421.705  23.621  92.270  2.7253 92.098  2.5984 0.1719055      3.765494  
1 1 1 12  22  16 o 40.635  3.2482 82.976   12.919  94.018   20.349  75.521   16.721  42.808  4.9045 38.436  4.4922 4.371956       6.650915  
1 1 1 12  22  17 o 73.884  2.2407 271.022  16.340  271.970  24.485  270.261  21.941  73.737  3.3643 73.600  3.0202 0.1364136      4.521075  
1 1 1 12  22  18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  22  19 o 55.073  4.5617 154.796  24.574  197.258  73.809  149.502  26.061  55.905  13.523 53.961  4.9481 1.944004       14.40007  
1 1 1 12  22  20 o 52.477  3.6690 139.097  18.885  135.605  27.885  142.055  25.667  51.033  5.6295 52.523  5.0117 -1.490204      7.537121  
1 1 1 12  22  21 o 50.176  2.2638 125.187  11.212  173.667  31.342  118.073  12.006  57.789  5.5635 48.625  2.5101 9.164185       6.103530  
1 1 1 12  22  22 o 36.254  2.0971 65.530   7.4723  80.065   21.160  63.459   7.9869  38.959  5.6691 35.641  2.2823 3.317570       6.111256  
1 1 1 12  22  23 o 26.245  2.6252 34.727   6.7091  82.527   27.213  31.634   6.9228  38.603  7.4115 24.986  2.8585 13.61732       7.943634  
1 1 1 12  23  7  o 11.787  4.7572 3.3329   8.5414  -7.9631  13.586  10.715   10.983  11.668  5.3226 15.569  5.6020 -3.900673      7.727353  
1 1 1 12  23  8  o 19.012  5.1584 19.023   9.9264  17.424   17.752  19.750   11.973  19.614  7.1127 19.454  5.7990 0.1602421      9.177061  
1 1 1 12  23  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  23  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  23  11 o 74.037  1.8019 271.579  13.168  281.664  16.680  254.896  21.453  75.319  2.2436 71.470  3.0411 3.848358       3.779170  
1 1 1 12  23  12 o 20.064  1.8854 20.128   3.6902  35.533   17.005  19.367   3.7803  25.672  6.6556 19.666  1.9742 6.006611       6.942173  
1 1 1 12  23  13 o 87.001  2.0047 375.418  17.215  400.677  28.123  360.281  21.771  89.542  3.1820 85.087  2.5923 4.455597       4.104283  
1 1 1 12  23  14 f 87.035  1.9701 375.686  16.925  392.390  24.447  360.311  23.454  88.730  2.7914 85.024  2.7948 3.705330       3.950011  
1 1 1 12  23  15 o 33.622  3.9102 57.618   12.734  49.270   20.598  62.782   16.201  30.082  7.0586 34.837  4.8427 -4.754725      8.560137  
1 1 1 12  23  16 o 14.105  5.9092 2.6568   13.830  5.7691   22.021  0.6295   17.773  17.863  7.4677 15.278  6.5600 2.584769       9.939832  
1 1 1 12  23  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 12  23  18 o 24.679  5.0722 32.213   11.943  45.276   18.449  22.791   15.668  28.870  6.6161 20.911  6.7039 7.959162       9.418840  
1 1 1 12  23  19 o 37.975  1.0090 71.280   3.7821  72.428   5.4143  70.185   5.2856  38.250  1.4341 37.654  1.4222 0.5959435      2.019689  
1 1 1 12  23  20 o 42.776  4.2314 93.693   17.631  149.505  45.982  84.073   19.091  50.990  9.4853 40.248  4.9071 10.74201       10.67942  
1 1 1 12  23  21 o 34.802  3.9341 62.061   13.277  75.111   20.395  52.463   17.490  37.650  5.6635 31.263  5.8841 6.387766       8.166829  
1 1 1 12  23  22 o 28.116  1.3581 39.146   3.7690  39.704   5.4095  38.620   5.2543  28.198  1.9557 27.813  1.9258 0.3841667      2.744689  
1 1 1 12  24  9  o 69.976  1.9238 242.951  13.288  260.449  24.467  235.631  15.825  72.031  3.4413 68.828  2.3294 3.202980       4.155533  
1 1 1 12  24  10 o 103.147 2.0397 528.164  20.766  534.574  28.898  521.319  29.861  103.491 2.8290 102.145 2.9618 1.346092       4.095855  
1 1 1 12  24  11 o 21.858  7.2668 24.634   18.327  16.402   26.406  32.285   25.457  21.254  8.4366 24.892  8.5631 -3.637907      12.02089  
1 1 1 12  24  12 o 25.768  4.7238 34.766   11.572  41.616   18.379  30.267   14.895  27.635  6.7873 23.688  6.2716 3.946365       9.241247  
1 1 1 12  24  13 o 67.450  1.9532 225.752  13.003  204.549  25.101  233.529  15.202  63.530  4.0238 68.542  2.2471 -5.012264      4.608719  
1 1 1 12  24  14 o 32.895  3.8893 55.281   12.384  54.776   19.182  55.642   16.215  31.920  6.3121 32.580  5.2186 -0.6592236     8.189991  
1 1 1 12  24  15 o 57.287  2.6561 163.668  15.019  161.071  23.120  165.564  19.754  56.251  4.1943 57.294  3.5101 -1.042934      5.469235  
1 1 1 12  24  16 o 74.530  6.5970 294.283  48.028  310.715  68.220  278.136  67.628  73.950  9.5709 69.353  10.183 4.596909       13.97450  
1 1 1 12  24  17 o 13.178  5.3586 4.1641   10.927  -1.0280  17.657  7.3867   13.911  14.807  6.4481 15.367  6.1159 -0.5597143     8.887185  
1 1 1 12  24  18 o 45.614  1.9229 103.316  8.6573  120.314  23.719  100.704  9.2989  48.121  5.0700 45.008  2.0932 3.112957       5.485136  
1 1 1 12  24  19 o 29.025  4.7061 44.164   13.021  48.195   20.004  41.200   17.151  29.477  6.9829 27.407  6.4480 2.070549       9.504578  
1 1 1 12  24  20 o 55.935  1.6473 155.197  9.0945  163.874  13.090  147.099  12.645  57.336  2.3130 54.311  2.3588 3.024658       3.303625  
1 1 1 12  25  13 o 21.654  7.6975 23.563   20.678  21.052   30.482  25.705   28.143  22.760  9.0549 23.337  8.8605 -0.5769176     12.66881  
1 1 1 12  25  14 o 21.926  1.1964 23.856   2.5795  18.719   15.862  23.995   2.6143  19.391  6.7544 21.989  1.2092 -2.597998      6.861766  
1 1 1 12  25  15 o 17.445  7.0732 9.1800   18.975  25.063   27.343  -5.5750  26.354  23.017  8.7348 17.060  7.6301 5.957100       11.59807  
1 1 1 12  25  16 o 17.208  5.9461 14.556   12.281  5.3280   17.818  22.908   16.951  16.145  6.7307 20.896  6.9898 -4.751392      9.703600  
1 1 1 12  25  17 o 50.963  7.2543 143.118  35.460  140.264  50.189  145.963  50.108  47.432  10.943 48.623  10.728 -1.191257      15.32482  
1 1 1 13  -17 0  o 22.081  5.2786 26.066   11.349  30.192   18.540  23.593   14.352  23.608  7.2547 21.039  6.3665 2.568798       9.652133  
1 1 1 13  -16 0  o 29.485  1.4609 43.025   4.2516  43.813   4.4853  36.047   13.346  29.710  1.5348 26.103  5.3594 3.606962       5.574820  
1 1 1 13  -16 1  o 75.808  1.4226 284.368  10.645  282.410  15.047  286.329  15.062  75.446  2.0205 75.970  2.0087 -0.5240021     2.849091  
1 1 1 13  -16 2  o 35.737  1.4990 63.214   5.2874  54.582   15.272  64.390   5.6360  32.410  4.9293 36.061  1.5834 -3.650833      5.177412  
1 1 1 13  -16 3  o 75.888  2.2322 286.116  16.720  301.551  26.843  276.331  21.373  77.530  3.5077 74.406  2.9102 3.124245       4.557776  
1 1 1 13  -16 4  o 48.933  1.4147 118.499  6.8330  126.290  9.7415  110.954  9.5870  50.453  1.9562 47.277  2.0545 3.175327       2.836796  
1 1 1 13  -15 0  o 34.193  1.2327 57.800   4.1602  49.586   5.7091  67.099   6.0745  31.584  1.8393 36.814  1.6717 -5.230633      2.485521  
1 1 1 13  -15 1  o 34.622  8.1048 65.811   27.208  80.060   39.252  52.633   37.747  37.416  10.302 31.065  10.430 6.351450       14.66026  
1 1 1 13  -15 2  f 54.008  7.1185 154.308  37.023  159.017  52.084  149.498  52.637  53.009  10.326 51.072  10.780 1.937267       14.92784  
1 1 1 13  -15 3  o 53.164  7.1565 149.703  36.599  153.314  51.785  146.099  51.733  51.932  10.464 50.511  10.709 1.420815       14.97251  
1 1 1 13  -15 4  o 32.018  7.7703 56.068   24.308  66.503   35.219  46.575   33.591  34.296  9.8712 29.413  9.8396 4.882746       13.93768  
1 1 1 13  -15 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -15 6  o 90.566  7.8975 438.281  69.891  449.395  85.419  415.771  121.569 89.945  9.7791 79.574  16.032 10.37045       18.77927  
1 1 1 13  -14 0  o 56.145  6.8538 164.651  37.193  157.018  52.218  172.512  52.990  53.048  10.344 55.883  9.9726 -2.835167      14.36866  
1 1 1 13  -14 1  o 19.148  7.3427 13.825   19.448  23.113   28.389  5.6114   26.696  23.509  8.9054 19.507  8.1928 4.001974       12.10075  
1 1 1 13  -14 2  o 70.460  2.0813 246.048  14.475  239.682  18.585  255.865  23.078  69.440  2.7115 71.631  3.2641 -2.191292      4.243462  
1 1 1 13  -14 3  o 18.182  1.1414 16.400   2.0380  14.451   2.7939  18.616   2.9795  17.005  1.6868 19.334  1.5750 -2.329039      2.307788  
1 1 1 13  -14 4  o 29.590  1.0120 43.254   2.9558  40.216   4.1629  46.342   4.1974  28.476  1.4863 30.614  1.3891 -2.137638      2.034351  
1 1 1 13  -14 5  o 36.377  1.1715 65.399   4.2064  58.425   5.9108  72.555   5.9875  34.309  1.7513 38.294  1.5841 -3.984497      2.361419  
1 1 1 13  -14 6  o 13.815  4.7706 8.8000   7.9047  7.8757   11.104  9.7497   11.255  14.608  5.5610 15.341  5.6481 -0.7322712     7.926268  
1 1 1 13  -14 7  o 13.216  5.0539 6.2442   9.1970  3.3812   12.792  9.3074   13.232  13.905  5.7419 15.864  6.0629 -1.959290      8.350387  
1 1 1 13  -14 8  o 71.718  1.6421 254.611  11.624  227.865  17.591  275.341  15.487  67.685  2.6330 74.507  2.1058 -6.822060      3.371575  
1 1 1 13  -13 0  o 33.426  1.1318 55.195   3.7341  54.605   5.3660  55.749   5.1996  33.229  1.6361 33.578  1.5688 -0.3489876     2.266704  
1 1 1 13  -13 1  o 53.312  2.1178 140.754  11.144  140.976  11.437  136.585  49.600  53.349  2.1719 49.785  10.428 3.564583       10.65147  
1 1 1 13  -13 2  o 45.104  1.3620 100.546  6.0636  90.740   8.5434  110.499  8.6073  42.810  2.0218 47.255  1.8454 -4.444241      2.737401  
1 1 1 13  -13 3  o 67.492  1.4156 225.171  9.4303  226.717  13.121  223.520  13.563  67.672  1.9644 67.184  2.0453 0.4877548      2.835816  
1 1 1 13  -13 4  o 78.631  1.3823 305.627  10.728  299.546  15.172  311.709  15.172  77.779  1.9762 79.348  1.9372 -1.568497      2.767344  
1 1 1 13  -13 5  f 81.444  1.4679 327.978  11.800  316.078  16.675  339.914  16.700  79.872  2.1152 82.840  2.0424 -2.967941      2.940316  
1 1 1 13  -13 6  o 60.563  1.4189 181.351  8.4820  172.197  12.154  190.040  11.842  58.952  2.0888 61.948  1.9368 -2.996342      2.848552  
1 1 1 13  -13 7  o 21.828  1.1149 23.603   2.3940  36.221   3.3769  10.854   3.3945  27.071  1.2638 14.595  2.4426 12.47573       2.750203  
1 1 1 13  -13 8  o 62.258  1.1715 191.544  7.1991  208.156  10.187  174.969  10.175  64.866  1.5911 59.458  1.7338 5.408634       2.353231  
1 1 1 13  -13 9  o 72.251  1.6558 258.333  11.809  258.566  18.653  258.177  15.254  72.136  2.6198 72.163  2.1416 -0.2724457E-01 3.383796  
1 1 1 13  -13 10 o 45.193  1.4780 101.034  6.5929  104.214  7.5538  90.863   13.507  45.884  1.6679 42.550  3.2406 3.334454       3.644601  
1 1 1 13  -12 0  o 68.512  1.4674 231.957  9.9230  234.411  14.189  229.607  13.883  68.827  2.0886 68.121  2.0647 0.7068253      2.936877  
1 1 1 13  -12 1  o 39.772  1.1941 78.133   4.6878  70.148   6.6093  86.217   6.6500  37.665  1.7778 41.764  1.6132 -4.098789      2.400613  
1 1 1 13  -12 2  o 26.510  1.1481 34.713   3.0042  34.713   3.0042  0.0000   0.0000  26.510  1.1481 ?       ?      0.000000       1.148102  
1 1 1 13  -12 3  o 82.578  1.5145 337.024  12.344  346.772  17.458  327.278  17.456  83.706  2.1130 81.312  2.1750 2.393707       3.032388  
1 1 1 13  -12 4  o 18.137  1.0775 16.304   1.9202  17.695   2.7441  14.970   2.6879  18.863  1.4859 17.329  1.5891 1.534035       2.175596  
1 1 1 13  -12 5  o 80.279  2.0150 318.967  15.966  310.560  29.215  322.547  19.065  78.936  3.7497 80.680  2.3941 -1.744141      4.448850  
1 1 1 13  -12 6  o 42.055  1.4732 87.429   6.1155  82.058   13.474  88.823   6.8631  40.460  3.4057 42.381  1.6406 -1.920742      3.780277  
1 1 1 13  -12 7  f 50.648  2.9707 127.927  14.786  138.578  20.354  116.026  21.516  52.517  3.9556 47.870  4.6108 4.647804       6.075076  
1 1 1 13  -12 8  o 33.137  2.5794 54.819   8.3700  57.689   11.813  51.926   11.861  33.821  3.5937 32.019  3.8290 1.801582       5.251276  
1 1 1 13  -12 9  o 63.260  1.3905 197.834  8.6820  199.472  11.910  195.976  12.683  63.475  1.9010 62.901  2.0428 0.5740166      2.790460  
1 1 1 13  -12 10 o 25.484  1.1118 32.086   2.7965  28.689   3.9299  35.571   3.9803  24.023  1.6677 26.777  1.5122 -2.753998      2.251217  
1 1 1 13  -12 11 o 79.101  1.6046 309.558  12.528  296.737  17.259  323.837  18.214  77.351  2.2606 80.802  2.2838 -3.450867      3.213383  
1 1 1 13  -11 0  o 113.676 2.1845 639.221  24.510  616.135  41.545  651.545  30.356  111.347 3.7802 114.699 2.6813 -3.352333      4.634548  
1 1 1 13  -11 1  o 31.366  1.2069 48.588   3.7365  36.474   5.2492  61.031   5.3200  27.088  1.9769 35.146  1.5336 -8.057903      2.502001  
1 1 1 13  -11 2  o 53.974  1.3157 143.893  7.0091  143.221  9.7835  144.603  10.046  53.826  1.8415 54.083  1.8820 -0.2571487     2.633050  
1 1 1 13  -11 3  o 106.974 2.4180 566.413  25.531  570.203  26.502  517.526  95.180  107.320 2.5019 99.613  9.8077 7.707382       10.12177  
1 1 1 13  -11 4  o 76.674  1.4675 290.464  11.106  298.313  16.374  283.777  15.114  77.655  2.1363 75.748  2.0215 1.906136       2.941134  
1 1 1 13  -11 5  o 54.251  1.1065 145.351  5.9250  144.232  8.3731  146.473  8.3855  54.024  1.5702 54.442  1.5605 -0.4185295     2.213775  
1 1 1 13  -11 6  o 95.843  1.7170 454.130  16.243  470.775  22.972  437.491  22.969  97.504  2.3870 93.982  2.4760 3.521919       3.439251  
1 1 1 13  -11 7  o 78.881  1.4893 307.516  11.595  302.096  17.266  311.969  15.649  78.112  2.2394 79.405  1.9967 -1.292381      3.000300  
1 1 1 13  -11 8  o 53.865  1.2932 143.361  6.8755  151.118  9.7121  135.567  9.7347  55.274  1.7802 52.346  1.8841 2.928314       2.592076  
1 1 1 13  -11 9  o 64.572  1.5283 206.143  9.7407  212.653  15.520  201.913  12.512  65.498  2.4007 63.867  1.9847 1.631180       3.114889  
1 1 1 13  -11 10 o 16.631  1.0600 13.718   1.7310  16.062   2.4473  11.371   2.4486  17.973  1.3904 15.070  1.6745 2.903204       2.176474  
1 1 1 13  -11 11 o 24.822  1.4948 30.575   3.6454  30.129   3.8589  34.272   11.112  24.631  1.5959 25.771  4.5340 -1.140385      4.806631  
1 1 1 13  -11 12 o 25.432  0.9948 31.948   2.4971  30.456   3.5118  33.474   3.5515  24.777  1.4422 25.985  1.3898 -1.207237      2.002828  
1 1 1 13  -11 13 o 103.942 6.5447 557.330  66.802  520.692  94.303  594.233  94.644  97.792  9.9066 105.169 9.2102 -7.376686      13.52661  
1 1 1 13  -10 0  o 140.784 2.2443 980.143  31.187  995.341  43.663  964.313  44.560  141.737 3.1210 139.490 3.2365 2.247223       4.496156  
1 1 1 13  -10 1  f 132.584 2.0377 868.972  26.666  872.818  37.994  865.239  37.437  132.765 2.8993 132.192 2.8692 0.5731201      4.078984  
1 1 1 13  -10 2  o 87.595  1.7042 379.113  14.735  381.933  20.722  376.230  20.956  87.871  2.3892 87.209  2.4346 0.6623077      3.411054  
1 1 1 13  -10 3  o 19.706  0.7291 19.168   1.4181  15.119   1.9877  23.365   2.0238  17.460  1.1600 21.755  0.9425 -4.294743      1.494652  
1 1 1 13  -10 4  o 82.115  1.7129 333.180  13.883  318.401  17.152  361.266  23.644  80.244  2.1655 85.418  2.8044 -5.174339      3.543182  
1 1 1 13  -10 5  o 107.068 2.0240 566.767  21.390  568.402  26.553  563.746  36.098  107.171 2.5102 106.604 3.4306 0.5672150      4.250930  
1 1 1 13  -10 6  o 114.128 1.8994 643.903  21.397  621.075  29.649  668.715  30.910  111.993 2.6822 116.207 2.6949 -4.214058      3.802154  
1 1 1 13  -10 7  o 36.231  1.1698 64.827   4.1835  83.021   5.9147  46.613   5.9180  40.993  1.4618 30.640  1.9672 10.35279       2.450892  
1 1 1 13  -10 8  o 31.898  1.0535 50.247   3.3168  50.860   4.5751  49.568   4.8154  32.084  1.4447 31.671  1.5404 0.4129047      2.111899  
1 1 1 13  -10 9  o 92.551  1.6564 423.451  15.131  398.774  21.649  447.020  21.157  89.724  2.4446 95.023  2.2558 -5.298843      3.326355  
1 1 1 13  -10 10 o 46.245  1.5070 105.709  6.8790  115.171  12.397  101.500  8.2687  48.124  2.6198 45.297  1.8494 2.826878       3.206807  
1 1 1 13  -10 11 o 23.396  0.9485 27.033   2.1903  30.478   3.1327  23.738   3.0635  24.803  1.2840 21.869  1.4271 2.933912       1.919726  
1 1 1 13  -10 12 o 75.448  1.4699 281.405  10.946  272.938  15.783  289.251  15.195  74.233  2.1541 76.436  2.0140 -2.203560      2.948962  
1 1 1 13  -10 13 o 5.4854  1.5690 1.5223   0.8923  5.7221   1.3726  -1.5521  1.1744  10.678  1.3313 3.0061  1.4324 7.671572       1.955501  
1 1 1 13  -10 14 o 114.886 1.8340 653.364  20.797  664.502  29.943  642.983  28.908  115.678 2.6224 113.802 2.5736 1.875412       3.674287  
1 1 1 13  -9  0  o 163.954 2.6987 1329.98  43.672  1330.51  53.359  1328.91  76.009  163.885 3.2986 163.467 4.7109 0.4180603      5.750964  
1 1 1 13  -9  1  o 46.663  1.2348 107.514  5.6874  98.572   8.0005  116.650  8.0866  44.666  1.8147 48.594  1.6860 -3.927322      2.477022  
1 1 1 13  -9  2  o 31.071  2.8198 48.163   8.5536  44.792   12.015  51.626   12.180  29.747  4.2096 32.022  3.9365 -2.274254      5.763403  
1 1 1 13  -9  3  o 81.255  1.5345 326.102  12.307  329.281  17.910  323.258  16.939  81.614  2.2233 80.870  2.1221 0.7438049      3.073504  
1 1 1 13  -9  4  f 79.409  1.5790 311.472  12.376  313.795  17.186  308.969  17.837  79.673  2.1855 79.051  2.2860 0.6212082      3.162616  
1 1 1 13  -9  5  o 169.315 2.5095 1418.01  41.939  1438.44  59.011  1397.15  59.616  170.346 3.5097 167.864 3.5981 2.481750       5.026330  
1 1 1 13  -9  6  o 169.882 2.3688 1427.31  39.720  1346.78  57.614  1500.26  54.833  164.804 3.5418 174.019 3.1924 -9.214737      4.768218  
1 1 1 13  -9  7  o 73.879  1.5641 269.631  11.405  253.018  14.611  295.543  18.248  71.540  2.0691 77.296  2.3918 -5.756012      3.162580  
1 1 1 13  -9  8  o 93.984  1.6638 436.456  15.435  430.137  21.621  443.023  22.041  93.244  2.3493 94.630  2.3597 -1.385414      3.329772  
1 1 1 13  -9  9  o 100.873 1.7817 502.959  17.740  520.873  24.920  484.554  25.260  102.581 2.4612 98.925  2.5869 3.656349       3.570662  
1 1 1 13  -9  10 o 109.729 1.8426 595.333  19.957  605.004  28.074  585.454  28.375  110.518 2.5735 108.707 2.6445 1.811447       3.690061  
1 1 1 13  -9  11 o 129.654 1.9628 831.624  25.119  860.385  35.517  802.844  35.530  131.729 2.7317 127.226 2.8293 4.502647       3.932812  
1 1 1 13  -9  12 o 103.668 1.7840 531.558  18.255  537.498  25.757  525.562  25.876  104.133 2.5059 102.964 2.5461 1.169922       3.572437  
1 1 1 13  -9  13 o 97.203  1.9149 467.567  18.372  442.229  23.145  510.721  30.206  94.446  2.4828 101.386 3.0184 -6.940536      3.908353  
1 1 1 13  -9  14 o 93.908  2.3502 437.087  21.784  469.378  83.367  434.721  22.568  94.197  9.0790 93.637  2.4418 0.5597229      9.401594  
1 1 1 13  -9  15 o 42.605  2.0825 89.915   8.7577  83.466   12.725  95.719   12.071  40.828  3.1828 43.805  2.8067 -2.976818      4.243554  
1 1 1 13  -8  0  o 75.527  1.5167 281.721  11.307  300.773  16.259  263.877  15.735  78.013  2.1115 73.068  2.1818 4.944832       3.036196  
1 1 1 13  -8  1  o 143.962 3.1269 1025.86  44.432  994.749  61.864  1059.01  63.856  141.551 4.4278 146.051 4.4296 -4.500137      6.263144  
1 1 1 13  -8  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -8  3  o 95.924  6.3169 461.511  59.474  477.694  84.304  445.477  83.916  96.843  8.9198 93.394  9.2236 3.449638       12.83116  
1 1 1 13  -8  4  o 164.612 6.7243 1355.77  109.255 1295.37  154.219 1416.62  154.803 159.387 9.8511 166.924 9.4342 -7.537231      13.63998  
1 1 1 13  -8  5  o 144.361 6.5346 1042.17  93.111  1057.22  131.689 1027.12  131.668 144.157 9.3047 142.017 9.4470 2.140060       13.25985  
1 1 1 13  -8  6  o 12.115  5.2893 -2.4467  11.949  -6.4174  17.538  0.9934   16.324  14.103  6.2717 15.083  6.3744 -0.9800529     8.942447  
1 1 1 13  -8  7  o 90.474  6.3386 411.353  56.247  411.531  79.427  411.173  79.663  89.653  9.1019 89.602  9.1353 0.5084991E-01  12.89570  
1 1 1 13  -8  8  o 19.534  6.8425 17.036   16.290  4.7586   23.764  27.918   22.374  18.770  7.7946 24.109  8.0297 -5.339098      11.19071  
1 1 1 13  -8  9  o 70.193  3.1676 244.123  21.946  238.200  61.219  244.997  23.508  67.721  9.4131 70.298  3.3880 -2.577118      10.00423  
1 1 1 13  -8  10 o 18.529  1.2460 17.031   2.2655  17.660   2.3412  7.7674   8.9845  18.868  1.2645 13.846  5.0540 5.021778       5.209814  
1 1 1 13  -8  11 f 65.069  1.3385 209.141  8.5968  198.172  12.996  217.675  11.463  63.299  2.0801 66.362  1.7501 -3.062790      2.718331  
1 1 1 13  -8  12 f 54.066  1.4650 144.444  7.8180  155.191  12.990  138.341  9.7894  55.987  2.3507 52.891  1.8752 3.096001       3.007020  
1 1 1 13  -8  13 o 35.183  1.1113 61.138   3.8591  65.229   5.5198  57.226   5.3975  36.327  1.5394 34.024  1.6072 2.303596       2.225544  
1 1 1 13  -8  14 o 100.948 1.7616 504.024  17.553  531.853  25.006  476.991  24.645  103.592 2.4456 98.087  2.5456 5.505539       3.529998  
1 1 1 13  -8  15 o 53.145  1.6863 139.682  8.8454  93.582   46.158  141.439  9.0124  40.974  11.126 53.476  1.7074 -12.50226      11.25643  
1 1 1 13  -8  16 o 107.238 1.8904 569.204  20.009  568.615  28.304  569.793  28.290  107.025 2.6794 107.137 2.6752 -0.1117935     3.786268  
1 1 1 13  -7  0  o 136.436 6.4752 929.502  87.200  954.084  123.479 905.047  123.160 137.141 9.1750 133.462 9.4095 3.679245       13.14227  
1 1 1 13  -7  1  f 63.067  6.4073 200.493  39.331  196.435  55.476  204.594  55.770  61.686  9.4092 63.028  9.2391 -1.341293      13.18692  
1 1 1 13  -7  2  o 83.924  6.2520 353.202  51.417  371.940  73.038  334.792  72.396  85.492  8.7802 80.936  9.2272 4.555603       12.73703  
1 1 1 13  -7  3  o 73.494  6.2868 271.359  45.166  285.602  64.095  257.311  63.656  74.786  8.8551 70.800  9.3369 3.986160       12.86817  
1 1 1 13  -7  4  o 109.579 7.3479 603.981  79.014  579.629  135.917 616.412  97.109  105.084 13.410 110.192 9.0072 -5.108002      16.15385  
1 1 1 13  -7  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -7  6  o 148.364 9.4181 1117.84  137.205 1165.10  194.747 1071.25  193.335 149.408 13.346 142.906 13.882 6.501968       19.25675  
1 1 1 13  -7  7  o 46.348  6.8129 109.646  30.237  116.678  42.564  102.482  42.961  47.219  9.4623 44.077  10.092 3.141777       13.83436  
1 1 1 13  -7  8  o 135.259 6.4953 914.589  86.716  907.845  122.745 921.310  122.524 133.539 9.3718 134.568 9.2813 -1.029770      13.18991  
1 1 1 13  -7  9  o 181.250 6.9168 1646.75  123.742 1628.95  174.872 1664.59  175.125 178.541 9.9629 180.549 9.8643 -2.008621      14.02008  
1 1 1 13  -7  10 o 108.469 6.3970 591.161  68.185  597.786  96.063  584.435  96.796  108.114 9.0863 106.815 9.2730 1.298843       12.98269  
1 1 1 13  -7  11 o 101.309 6.3401 516.729  63.079  522.719  89.366  510.781  89.051  100.871 9.0728 99.670  9.1542 1.201851       12.88857  
1 1 1 13  -7  12 o 23.134  8.2862 23.573   24.005  26.362   34.666  21.005   33.273  26.001  9.8429 24.628  9.5608 1.373007       13.72200  
1 1 1 13  -7  13 o 130.189 2.7540 839.930  35.389  803.721  50.892  873.833  49.244  127.046 4.0584 132.554 3.7638 -5.508018      5.535044  
1 1 1 13  -7  14 o 139.031 2.0409 956.426  28.007  978.047  39.897  935.420  39.326  140.413 2.8787 137.314 2.9015 3.099594       4.087317  
1 1 1 13  -7  15 o 61.207  1.2504 185.085  7.5543  189.865  9.8345  178.206  11.798  61.971  1.6078 60.010  1.9919 1.961075       2.559808  
1 1 1 13  -7  16 o 76.934  6.4467 302.734  48.502  297.313  68.447  308.201  68.739  74.756  9.4901 76.216  9.3325 -1.459892      13.31006  
1 1 1 13  -7  17 o 25.046  1.4511 31.113   3.5719  35.584   10.579  30.538   3.7948  26.353  4.2086 24.803  1.5580 1.550795       4.487711  
1 1 1 13  -6  0  o 124.754 1.9675 768.869  24.228  692.729  40.412  811.589  30.271  118.292 3.4612 128.143 2.3933 -9.850708      4.208076  
1 1 1 13  -6  1  o 15.688  1.1661 12.218   1.7928  11.321   2.4740  13.210   2.6017  15.045  1.6956 16.273  1.6423 -1.227848      2.360550  
1 1 1 13  -6  2  o 156.234 2.3092 1206.26  35.609  1208.07  50.135  1204.41  50.587  156.247 3.2508 156.006 3.2852 0.2410126      4.621728  
1 1 1 13  -6  3  o 95.916  1.5833 454.319  14.989  433.789  21.222  474.755  21.174  93.691  2.2949 98.021  2.1885 -4.330147      3.171101  
1 1 1 13  -6  4  o 84.707  1.7317 354.384  14.478  343.956  24.590  359.916  17.912  83.389  2.9876 85.349  2.1263 -1.960350      3.666987  
1 1 1 13  -6  5  o 91.878  1.5824 416.870  14.350  400.513  19.883  434.652  20.732  90.028  2.2376 93.787  2.2395 -3.758369      3.165792  
1 1 1 13  -6  6  o 42.805  1.1267 90.455   4.7602  87.193   6.6135  93.963   6.8569  42.019  1.5946 43.620  1.5926 -1.600838      2.253694  
1 1 1 13  -6  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -6  8  o 85.460  1.5854 360.688  13.373  365.743  18.297  354.889  19.596  86.032  2.1547 84.736  2.3429 1.295952       3.183057  
1 1 1 13  -6  9  o 155.347 2.8982 1193.86  44.439  1196.31  63.202  1191.46  62.496  155.316 4.1227 155.008 4.0847 0.3085327      5.803610  
1 1 1 13  -6  10 o 170.867 6.8007 1461.24  114.694 1441.13  161.982 1481.46  162.424 168.169 9.8011 170.575 9.6872 -2.406189      13.78051  
1 1 1 13  -6  11 o 93.866  6.2313 442.365  57.404  479.961  81.389  405.151  80.975  97.070  8.5832 88.853  9.3746 8.217163       12.71036  
1 1 1 13  -6  12 o 73.084  6.2297 269.365  44.510  286.701  63.255  252.362  62.643  74.669  8.7485 69.803  9.3252 4.865944       12.78654  
1 1 1 13  -6  13 o 62.554  6.3271 198.433  38.528  192.997  53.863  204.129  55.134  60.773  9.2730 62.558  9.2041 -1.785534      13.06537  
1 1 1 13  -6  14 o 99.373  9.1633 512.369  88.866  505.944  125.972 518.734  125.380 95.998  13.682 97.419  13.394 -1.420395      19.14625  
1 1 1 13  -6  15 o 117.929 1.8838 687.817  21.928  705.243  30.846  670.012  31.178  119.294 2.6196 116.258 2.7171 3.036110       3.774234  
1 1 1 13  -6  16 o 44.627  1.7599 98.488   7.7521  104.107  10.728  92.348   11.214  45.782  2.3824 43.077  2.6503 2.704754       3.563698  
1 1 1 13  -6  17 o 80.790  2.7505 323.835  21.933  324.255  23.050  319.804  71.336  80.820  2.8894 77.601  9.5126 3.219353       9.941718  
1 1 1 13  -6  18 o 81.834  1.7564 331.297  14.187  330.383  20.424  332.150  19.722  81.614  2.5353 81.847  2.4413 -0.2329102     3.519611  
1 1 1 13  -5  0  o 60.861  1.7106 182.933  10.276  183.471  12.260  181.662  18.840  60.941  2.0382 60.515  3.1652 0.4266319      3.764661  
1 1 1 13  -5  1  o 88.976  1.5337 390.923  13.469  384.807  19.219  396.825  18.881  88.250  2.2064 89.621  2.1344 -1.370827      3.069868  
1 1 1 13  -5  2  o 143.066 2.1087 1011.20  29.777  997.933  41.695  1025.02  42.540  142.050 2.9738 143.963 2.9937 -1.912781      4.219686  
1 1 1 13  -5  3  o 113.016 1.7073 630.782  19.045  646.831  26.803  614.417  27.066  114.407 2.3735 111.498 2.4593 2.908905       3.417892  
1 1 1 13  -5  4  o 132.973 2.1256 873.565  27.899  865.125  41.265  880.671  37.864  132.243 3.1613 133.454 2.8745 -1.210220      4.272806  
1 1 1 13  -5  5  o 48.503  1.1581 116.138  5.5442  103.572  7.8053  128.934  7.8765  45.795  1.7268 51.098  1.5617 -5.303505      2.328246  
1 1 1 13  -5  6  o 198.450 2.8795 1947.47  56.402  1878.00  83.153  2006.67  76.760  194.635 4.3283 201.284 3.8636 -6.648926      5.801911  
1 1 1 13  -5  7  o 65.174  1.3904 209.728  8.9444  191.864  11.616  235.746  14.019  62.324  1.8883 69.079  2.0560 -6.755035      2.791563  
1 1 1 13  -5  8  o 119.111 3.4178 702.216  40.181  705.889  43.597  681.492  103.561 119.392 3.6995 115.976 9.1203 3.415810       9.842081  
1 1 1 13  -5  9  o 91.978  1.6423 417.805  14.909  400.595  21.027  435.206  21.144  90.030  2.3662 93.843  2.2827 -3.813332      3.287808  
1 1 1 13  -5  10 o 112.784 1.8142 628.329  20.196  608.725  28.059  649.403  29.091  110.962 2.5619 114.608 2.5717 -3.646698      3.629976  
1 1 1 13  -5  11 o 112.001 1.7614 619.638  19.472  607.868  26.720  632.969  28.437  110.886 2.4413 113.144 2.5463 -2.257698      3.527561  
1 1 1 13  -5  12 o 116.729 3.1958 674.660  36.821  671.030  39.452  699.182  102.548 116.386 3.4342 117.222 8.9302 -0.8367767     9.567770  
1 1 1 13  -5  13 o 124.093 6.4314 773.489  78.505  720.952  110.547 826.940  111.504 118.560 9.5271 127.307 8.9302 -8.747498      13.05809  
1 1 1 13  -5  14 o 68.734  6.2649 238.943  42.036  244.077  59.407  233.795  59.489  68.623  8.9867 67.053  9.2333 1.569313       12.88467  
1 1 1 13  -5  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -5  16 o 50.743  3.9415 128.996  19.586  134.114  65.149  128.488  20.536  48.785  13.206 50.602  4.1481 -1.816505      13.84247  
1 1 1 13  -5  17 o 22.942  1.4986 26.123   3.3749  25.240   3.6170  32.063   9.3813  22.536  1.6372 25.073  3.9190 -2.537016      4.247255  
1 1 1 13  -5  18 o 17.844  4.9377 16.466   8.9913  17.301   9.7870  11.949   22.764  18.310  5.1820 19.795  7.8410 -1.485435      9.398611  
1 1 1 13  -5  19 o 83.697  1.7671 346.568  14.598  320.348  20.834  371.861  20.462  80.349  2.6269 86.609  2.3936 -6.259186      3.553903  
1 1 1 13  -4  0  o 107.345 2.0870 569.256  22.112  583.914  37.312  561.323  27.452  108.621 3.4802 106.564 2.6099 2.056755       4.350111  
1 1 1 13  -4  1  o 68.513  1.3500 231.758  9.1293  231.380  12.749  232.157  13.079  68.444  1.8871 68.557  1.9328 -0.1133804     2.701302  
1 1 1 13  -4  2  o 84.531  1.4579 352.810  12.164  344.728  17.197  360.902  17.207  83.536  2.0857 85.475  2.0395 -1.939049      2.917174  
1 1 1 13  -4  3  o 203.121 2.7594 2039.65  55.323  1978.10  78.222  2101.26  78.253  199.850 3.9655 205.999 3.8486 -6.148636      5.526012  
1 1 1 13  -4  4  o 116.152 1.6797 666.247  19.257  685.788  27.161  646.496  27.306  117.809 2.3358 114.379 2.4187 3.429726       3.362473  
1 1 1 13  -4  5  o 133.411 1.9286 879.120  25.396  885.693  35.587  872.299  36.253  133.855 2.6935 132.833 2.7651 1.021881       3.860124  
1 1 1 13  -4  6  o 231.548 3.1033 2651.75  70.924  2682.62  100.486 2621.10  100.118 232.642 4.3761 229.951 4.4111 2.690720       6.213490  
1 1 1 13  -4  7  o 124.980 2.2056 771.740  27.209  766.694  42.518  775.239  35.408  124.470 3.4608 125.215 2.8649 -0.7455978     4.492764  
1 1 1 13  -4  8  o 141.126 2.3111 984.144  32.192  984.696  45.529  983.592  45.524  141.078 3.2696 140.999 3.2711 0.7925415E-01  4.624989  
1 1 1 13  -4  9  o 62.340  1.8862 191.958  11.606  189.329  11.866  250.070  55.785  61.910  1.9418 70.166  8.2100 -8.256237      8.436546  
1 1 1 13  -4  10 o 178.875 2.3077 1581.16  40.743  1525.66  57.266  1638.05  57.980  175.586 3.3042 181.949 3.2285 -6.363525      4.619620  
1 1 1 13  -4  11 o 48.640  1.6275 116.841  7.8136  101.898  10.044  139.746  12.435  45.410  2.2409 53.174  2.3693 -7.764511      3.261192  
1 1 1 13  -4  12 o 105.367 1.7317 548.372  18.010  524.419  26.216  569.778  24.783  102.987 2.5790 107.366 2.3386 -4.379341      3.481411  
1 1 1 13  -4  13 o 73.161  1.4368 264.325  10.376  281.590  15.159  249.109  14.232  75.488  2.0345 71.001  2.0307 4.486832       2.874588  
1 1 1 13  -4  14 o 83.517  6.2280 350.888  50.971  374.942  72.412  327.265  71.759  85.602  8.6908 79.714  9.2949 5.888206       12.72494  
1 1 1 13  -4  15 o 62.691  6.2902 199.094  38.398  202.882  54.512  195.364  54.096  62.439  9.1136 61.206  9.2423 1.232567       12.97986  
1 1 1 13  -4  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -4  17 o 62.081  1.9346 190.629  11.854  192.107  13.799  186.465  23.162  62.298  2.2440 61.079  3.8617 1.218616       4.466398  
1 1 1 13  -4  18 o 45.610  1.8534 102.893  8.3437  95.067   11.909  110.437  11.693  43.694  2.7758 47.141  2.5222 -3.447094      3.750522  
1 1 1 13  -4  19 o 75.220  1.5126 279.681  11.230  289.931  15.643  268.783  16.131  76.532  2.0709 73.672  2.2184 2.860275       3.034733  
1 1 1 13  -3  0  f 51.035  1.0448 128.570  5.2629  125.655  7.4368  131.496  7.4490  50.446  1.4936 51.606  1.4624 -1.159828      2.090286  
1 1 1 13  -3  1  f 54.062  1.2487 144.288  6.6629  156.918  9.1755  130.198  9.6912  56.371  1.6491 51.342  1.9124 5.028446       2.525179  
1 1 1 13  -3  2  o 32.391  0.8174 51.787   2.6134  43.083   3.6815  60.627   3.7103  29.541  1.2626 35.045  1.0726 -5.503885      1.656715  
1 1 1 13  -3  3  o 143.794 2.0842 1021.39  29.581  1006.60  41.634  1036.46  42.037  142.682 2.9563 144.784 2.9416 -2.102570      4.170402  
1 1 1 13  -3  4  o 100.962 1.6915 503.371  16.856  498.098  23.940  508.555  23.738  100.400 2.4158 101.451 2.3706 -1.050842      3.384645  
1 1 1 13  -3  5  o 63.374  1.2331 198.273  7.7131  201.257  10.908  195.289  10.908  63.839  1.7311 62.884  1.7574 0.9543610      2.466807  
1 1 1 13  -3  6  o 53.914  1.4226 143.514  7.5705  138.118  10.272  149.930  11.201  52.880  1.9680 55.093  2.0598 -2.212635      2.848829  
1 1 1 13  -3  7  o 213.596 2.9647 2255.93  62.505  2192.88  87.957  2320.24  88.840  210.381 4.2358 216.419 4.1589 -6.038559      5.936166  
1 1 1 13  -3  8  o 25.956  2.2249 33.530   5.6449  28.414   7.3685  40.798   8.7828  23.751  3.2267 28.546  3.1707 -4.794867      4.523808  
1 1 1 13  -3  9  f 66.145  1.3945 216.018  9.1041  226.096  12.746  205.521  13.009  67.658  1.9086 64.502  2.0433 3.155739       2.796024  
1 1 1 13  -3  10 o 100.045 1.8934 494.368  18.697  493.801  23.178  495.425  31.634  99.965  2.3491 100.074 3.2026 -0.1093979     3.971727  
1 1 1 13  -3  11 o 182.503 2.8401 1646.98  51.162  1597.48  72.360  1696.47  72.347  179.554 4.0829 185.055 3.9608 -5.501068      5.688449  
1 1 1 13  -3  12 o 75.334  1.4422 280.232  10.724  279.195  15.054  281.300  15.280  75.175  2.0289 75.457  2.0515 -0.2819519     2.885330  
1 1 1 13  -3  13 o 172.942 2.2794 1478.18  38.909  1461.31  54.973  1495.11  55.078  171.827 3.2413 173.808 3.2105 -1.980347      4.562219  
1 1 1 13  -3  14 o 141.050 2.0596 983.147  28.675  1006.49  41.837  962.464  39.379  142.614 2.9721 139.474 2.8604 3.140152       4.124990  
1 1 1 13  -3  15 f 34.133  6.7437 60.403   21.914  62.450   31.075  58.379   30.908  34.444  9.0301 33.354  9.1244 1.089199       12.83737  
1 1 1 13  -3  16 o 17.740  6.1618 14.222   13.197  14.191   18.645  14.252   18.682  19.287  7.2365 19.315  7.2444 -0.2803612E-01 10.23952  
1 1 1 13  -3  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  -3  18 o 181.481 2.4512 1631.29  43.908  1601.53  61.923  1661.37  62.269  179.486 3.4953 182.825 3.4506 -3.339188      4.911650  
1 1 1 13  -3  19 o 42.228  1.1953 88.085   4.9820  95.217   6.9544  80.565   7.1405  43.888  1.6054 40.362  1.7924 3.526016       2.406205  
1 1 1 13  -3  20 o 58.387  1.5562 168.533  8.9682  173.249  14.541  165.637  11.393  59.119  2.4919 57.851  1.9953 1.267601       3.192257  
1 1 1 13  -2  0  o 168.261 2.1690 1398.64  36.022  1354.56  51.411  1441.16  50.488  165.496 3.1473 170.721 2.9962 -5.224808      4.345398  
1 1 1 13  -2  1  o 124.528 2.0560 765.994  25.271  763.734  35.741  768.254  35.735  124.289 2.9134 124.657 2.9043 -0.3679428     4.113771  
1 1 1 13  -2  2  o 36.377  1.0860 65.323   3.8993  63.310   5.4276  67.471   5.6056  35.808  1.5357 36.966  1.5363 -1.158081      2.172241  
1 1 1 13  -2  3  o 49.345  1.0696 120.197  5.2093  105.240  7.3170  135.570  7.4182  46.166  1.6057 52.401  1.4343 -6.234657      2.153017  
1 1 1 13  -2  4  o 226.021 3.0024 2525.84  66.981  2536.09  94.873  2515.65  94.579  226.269 4.2480 225.354 4.2520 0.9144440      6.010441  
1 1 1 13  -2  5  o 79.019  1.3617 308.269  10.621  311.897  14.745  304.357  15.311  79.469  1.8798 78.499  1.9761 0.9694214      2.727356  
1 1 1 13  -2  6  o 80.146  1.4776 317.148  11.689  304.987  15.765  331.994  17.420  78.578  2.0327 81.979  2.1528 -3.401039      2.960818  
1 1 1 13  -2  7  o 31.557  1.9551 49.374   6.0597  51.180   7.9147  46.816   9.4199  32.083  2.5196 30.605  3.1640 1.478283       4.044642  
1 1 1 13  -2  8  o 88.337  1.5030 385.302  13.105  375.149  18.175  396.295  18.912  87.145  2.1130 89.567  2.1393 -2.421265      3.006879  
1 1 1 13  -2  9  o 71.877  1.3204 255.061  9.3672  237.998  12.625  275.961  13.972  69.419  1.8425 74.749  1.8938 -5.330086      2.642195  
1 1 1 13  -2  10 o 59.575  1.4398 175.241  8.4663  173.356  11.501  177.470  12.508  59.242  1.9669 59.937  2.1143 -0.6948967     2.887713  
1 1 1 13  -2  11 o 100.128 1.6385 495.082  16.193  471.640  22.520  520.179  23.302  97.698  2.3353 102.604 2.3008 -4.906067      3.278372  
1 1 1 13  -2  12 o 111.957 1.7089 619.021  18.884  611.341  26.444  627.014  26.977  111.222 2.4088 112.638 2.4265 -1.415543      3.419097  
1 1 1 13  -2  13 o 130.887 2.0518 846.365  26.507  846.341  38.608  846.386  36.457  130.807 2.9903 130.827 2.8233 -0.1939392E-01 4.112519  
1 1 1 13  -2  14 o 105.005 1.6999 544.589  17.618  551.791  25.088  537.583  24.746  105.655 2.4058 104.286 2.4041 1.368935       3.401078  
1 1 1 13  -2  15 o 70.390  1.4235 244.682  9.8902  239.745  13.829  249.851  14.150  69.655  2.0115 71.107  2.0161 -1.452759      2.847932  
1 1 1 13  -2  16 o 48.100  6.4750 117.922  29.960  112.885  42.689  122.810  42.057  46.236  9.6652 48.414  9.1360 -2.177826      13.29973  
1 1 1 13  -2  17 o 85.373  6.2305 367.732  52.140  389.961  74.046  345.870  73.432  87.038  8.7369 81.710  9.2689 5.327888       12.73756  
1 1 1 13  -2  18 o 60.510  3.6829 182.671  21.891  113.504  69.663  190.249  23.060  45.279  14.087 61.735  3.8028 -16.45628      14.59172  
1 1 1 13  -2  19 o 161.726 2.2169 1294.70  35.388  1268.13  49.679  1322.06  50.421  159.815 3.1493 163.183 3.1304 -3.368378      4.440464  
1 1 1 13  -2  20 o 21.373  1.4614 22.680   3.0645  29.765   24.208  22.565   3.0893  24.690  8.3527 21.316  1.4774 3.373198       8.482383  
1 1 1 13  -2  21 f 45.410  1.2587 101.886  5.6415  90.331   7.8978  113.924  8.0612  42.727  1.8727 47.995  1.7017 -5.267384      2.530351  
1 1 1 13  -1  0  o 91.840  6.1096 421.295  55.068  421.130  77.735  421.462  78.021  91.259  8.7367 91.288  8.7668 -0.2915192E-01 12.37686  
1 1 1 13  -1  1  o 190.138 2.5362 1786.53  47.598  1793.95  67.453  1779.17  67.177  190.407 3.5891 189.621 3.5892 0.7859497      5.075807  
1 1 1 13  -1  2  o 153.982 2.0152 1171.11  30.629  1133.07  44.654  1204.91  42.091  151.386 2.9884 156.135 2.7312 -4.748657      4.048460  
1 1 1 13  -1  3  o 152.333 2.3688 1146.52  35.618  1138.75  49.505  1154.85  51.284  151.736 3.3054 152.795 3.4004 -1.059189      4.742238  
1 1 1 13  -1  4  o 93.277  1.4753 429.575  13.583  438.586  18.994  420.145  19.431  94.231  2.0422 92.226  2.1346 2.005806       2.954112  
1 1 1 13  -1  5  o 45.848  1.4528 103.784  6.5743  101.326  8.7685  106.940  9.9354  45.294  1.9613 46.528  2.1634 -1.234001      2.920116  
1 1 1 13  -1  6  o 147.532 2.2906 1075.31  33.355  1056.52  47.174  1094.09  47.170  146.158 3.2700 148.739 3.2130 -2.581177      4.584295  
1 1 1 13  -1  7  o 130.631 2.0026 842.848  25.821  789.871  36.511  895.858  36.523  126.401 2.9265 134.628 2.7485 -8.227249      4.014751  
1 1 1 13  -1  8  o 82.374  1.4594 335.026  11.866  353.544  17.149  318.016  16.436  84.602  2.0537 80.238  2.0753 4.364120       2.919626  
1 1 1 13  -1  9  o 183.885 2.7237 1671.34  49.436  1648.60  68.687  1695.78  71.206  182.495 3.8132 185.075 3.8979 -2.580307      5.452939  
1 1 1 13  -1  10 o 133.939 2.1656 886.238  28.629  877.224  40.487  895.253  40.489  133.189 3.0797 134.553 3.0487 -1.364426      4.333486  
1 1 1 13  -1  11 o 13.212  1.3651 8.7103   1.7545  33.243   18.087  8.4773   1.7628  25.425  6.9900 13.029  1.3923 12.39581       7.127351  
1 1 1 13  -1  12 o 285.487 3.7903 4035.29  106.804 3924.39  150.710 4147.18  151.380 281.060 5.4326 288.971 5.3074 -7.911011      7.594870  
1 1 1 13  -1  13 o 89.428  1.5508 394.907  13.689  376.458  18.781  415.817  19.994  87.290  2.1798 91.738  2.2081 -4.448318      3.102793  
1 1 1 13  -1  14 o 129.329 2.1174 826.396  27.030  814.948  37.804  838.369  38.662  128.359 2.9839 130.188 3.0087 -1.828949      4.237437  
1 1 1 13  -1  15 o 67.987  1.3693 228.232  9.1887  230.353  12.354  225.606  13.747  68.288  1.8329 67.572  2.0611 0.7157059      2.758206  
1 1 1 13  -1  16 o 80.282  2.6314 318.787  20.852  321.674  21.913  291.129  67.816  80.636  2.7532 75.235  9.3327 5.400894       9.730314  
1 1 1 13  -1  17 o 121.471 6.4080 741.664  76.558  761.099  108.527 722.413  108.014 121.958 9.0806 118.702 9.2933 3.255692       12.99319  
1 1 1 13  -1  18 o 166.029 6.7935 1389.78  111.330 1429.37  157.768 1350.50  157.123 166.358 9.6497 161.497 9.9047 4.860428       13.82824  
1 1 1 13  -1  19 o 81.837  1.5489 330.972  12.512  322.495  18.760  337.764  16.791  80.711  2.3549 82.630  2.0588 -1.918846      3.127923  
1 1 1 13  -1  20 o 57.791  1.7716 165.151  10.105  176.268  14.668  155.107  13.942  59.648  2.4913 55.950  2.5247 3.697750       3.546919  
1 1 1 13  -1  21 f 32.703  7.0178 56.477   21.975  61.166   31.061  51.778   31.094  33.689  9.1184 31.206  9.3549 2.482487       13.06367  
1 1 1 13  0   0  o 106.768 1.6440 562.888  17.325  561.959  23.444  564.004  25.717  106.655 2.2270 106.839 2.4387 -0.1832047     3.302528  
1 1 1 13  0   1  o 85.676  2.8877 362.864  24.420  358.645  25.878  397.173  73.795  85.167  3.0784 88.678  8.5365 -3.510902      9.074553  
1 1 1 13  0   2  o 29.989  1.8612 44.586   5.4821  43.296   7.4685  46.093   8.0725  29.486  2.5925 30.418  2.7173 -0.9319229     3.755617  
1 1 1 13  0   3  o 57.473  1.1355 163.056  6.4416  157.309  9.1053  168.814  9.1142  56.443  1.6344 58.472  1.5792 -2.028709      2.272670  
1 1 1 13  0   4  f 38.075  1.1312 71.563   4.2513  72.364   5.7789  70.619   6.2763  38.284  1.5293 37.817  1.6814 0.4662514      2.272902  
1 1 1 13  0   5  o 177.480 2.2991 1556.14  40.275  1554.19  56.806  1558.11  57.111  177.279 3.2464 177.501 3.2597 -0.2221832     4.600564  
1 1 1 13  0   6  o 75.669  1.4520 282.694  10.845  267.063  15.304  298.462  15.371  73.530  2.1086 77.736  2.0033 -4.205833      2.908502  
1 1 1 13  0   7  o 211.455 3.2413 2211.23  67.651  2213.05  95.674  2209.42  95.672  211.324 4.5868 211.151 4.5905 0.1737213      6.489312  
1 1 1 13  0   8  f 189.242 2.4635 1769.54  46.016  1767.46  67.669  1771.33  62.761  188.998 3.6274 189.240 3.3601 -0.2416840     4.944527  
1 1 1 13  0   9  o 71.532  1.4875 252.640  10.502  249.385  17.565  254.451  13.102  71.041  2.5050 71.780  1.8493 -0.7386246     3.113685  
1 1 1 13  0   10 o 148.372 2.1352 1087.47  31.269  1097.70  44.098  1077.12  44.345  149.001 2.9985 147.593 3.0440 1.407471       4.272804  
1 1 1 13  0   11 o 39.236  1.5033 76.011   5.8220  70.526   7.2351  86.090   9.8065  37.737  1.9491 41.672  2.3942 -3.935204      3.087239  
1 1 1 13  0   12 o 147.148 2.6596 1070.23  38.628  949.303  128.715 1082.20  40.495  137.023 9.5773 147.959 2.7728 -10.93619      9.970621  
1 1 1 13  0   13 o 154.624 2.1609 1181.17  32.979  1164.28  46.746  1197.89  46.533  153.431 3.0867 155.636 3.0292 -2.205017      4.324787  
1 1 1 13  0   14 o 48.489  1.3168 116.083  6.3024  111.151  10.576  118.799  7.8482  47.429  2.2591 49.048  1.6211 -1.619110      2.780593  
1 1 1 13  0   15 o 44.994  1.7851 99.992   7.9277  100.030  10.808  99.948   11.664  44.920  2.4470 44.884  2.6444 0.3557587E-01  3.602828  
1 1 1 13  0   16 o 82.948  1.4657 339.770  12.000  314.749  16.685  366.581  17.272  79.809  2.1181 86.134  2.0316 -6.325417      2.934910  
1 1 1 13  0   17 o 88.494  6.2264 393.418  54.039  413.904  76.765  373.292  76.085  90.027  8.7493 85.311  9.1803 4.716637       12.68181  
1 1 1 13  0   18 f 115.663 6.3574 673.091  72.300  682.121  102.484 664.144  102.012 115.310 9.0778 113.731 9.1652 1.579048       12.89985  
1 1 1 13  0   19 o 130.854 2.0297 846.792  26.215  862.304  37.185  831.464  36.963  131.914 2.8559 129.527 2.8912 2.386963       4.063923  
1 1 1 13  0   20 o 38.839  2.3864 74.973   9.1041  76.970   12.935  73.013   12.817  39.218  3.3743 38.179  3.4379 1.039223       4.817174  
1 1 1 13  0   21 o 82.220  1.6745 334.225  13.589  323.954  18.194  347.184  20.436  80.885  2.2789 83.710  2.4734 -2.825119      3.363226  
1 1 1 13  0   22 o 15.051  5.1416 10.516   9.1738  11.890   10.520  6.1549   18.746  16.025  5.5051 17.120  6.9966 -1.094906      8.902703  
1 1 1 13  1   0  o 80.814  1.3165 322.422  10.501  321.386  14.848  323.459  14.854  80.670  1.8647 80.930  1.8596 -0.2598801     2.633470  
1 1 1 13  1   1  o 110.789 1.6372 606.074  17.903  587.604  25.045  625.376  25.603  109.059 2.3266 112.511 2.3055 -3.451691      3.275417  
1 1 1 13  1   2  o 72.406  1.7315 258.881  12.375  260.758  12.686  222.079  56.173  72.667  1.7687 66.027  8.8414 6.640076       9.016534  
1 1 1 13  1   3  o 107.953 1.6524 575.435  17.607  573.344  24.476  577.677  25.345  107.730 2.3018 108.133 2.3747 -0.4028091     3.307206  
1 1 1 13  1   4  o 129.152 2.1922 823.958  27.946  824.876  39.521  823.041  39.521  129.166 3.0999 129.022 3.1034 0.1440582      4.386395  
1 1 1 13  1   5  o 105.079 1.5674 545.177  16.257  524.445  22.570  567.529  23.436  103.038 2.2193 107.187 2.2151 -4.149071      3.135607  
1 1 1 13  1   6  o 281.700 3.9107 3927.71  108.737 3863.78  153.776 3991.63  153.779 278.979 5.5845 283.583 5.4939 -4.604889      7.833899  
1 1 1 13  1   7  o 124.252 1.7708 762.380  21.717  716.331  30.698  808.512  30.726  120.400 2.5832 127.922 2.4335 -7.521736      3.548910  
1 1 1 13  1   8  o 200.474 2.7951 1986.44  55.307  1905.98  77.797  2068.66  78.643  196.214 4.0170 204.435 3.8974 -8.220764      5.596935  
1 1 1 13  1   9  o 44.547  1.4894 97.977   6.5488  101.643  8.6905  93.162   9.9619  45.365  1.9408 43.362  2.3362 2.003860       3.037199  
1 1 1 13  1   10 o 145.126 2.4864 1040.72  35.616  969.510  56.209  1088.50  46.038  139.928 4.0698 148.365 3.1438 -8.437286      5.142584  
1 1 1 13  1   11 o 128.764 2.0681 818.979  26.284  819.445  36.647  818.485  37.720  128.747 2.8838 128.665 2.9701 0.8206177E-01  4.139825  
1 1 1 13  1   12 o 99.898  1.6271 492.784  16.044  490.532  22.521  495.105  22.861  99.642  2.2899 100.104 2.3137 -0.4622421     3.255294  
1 1 1 13  1   13 o 164.495 6.6415 1348.24  107.833 1378.78  152.633 1317.81  152.366 165.312 9.3931 161.526 9.6000 3.785980       13.43091  
1 1 1 13  1   14 o 65.576  1.3281 212.309  8.5959  203.324  11.962  221.903  12.361  64.160  1.8889 67.028  1.8683 -2.868011      2.656798  
1 1 1 13  1   15 o 125.294 2.0049 775.517  24.795  754.402  35.758  795.073  34.411  123.508 2.9332 126.810 2.7493 -3.301712      4.020226  
1 1 1 13  1   16 o 190.920 3.4587 1804.65  65.178  1663.66  121.106 1862.14  77.333  182.505 6.7229 193.824 4.0422 -11.31969      7.844582  
1 1 1 13  1   17 f 98.374  6.2024 485.051  59.916  485.594  84.764  484.509  84.705  97.648  8.8920 97.536  8.8964 0.1117630      12.57829  
1 1 1 13  1   18 o 50.665  6.3528 130.466  31.071  123.798  44.329  136.906  43.562  48.493  9.6012 51.245  8.9375 -2.751862      13.11724  
1 1 1 13  1   19 o 120.172 3.3737 716.324  40.017  663.432  104.574 725.398  43.314  113.370 9.4308 120.882 3.6302 -7.512016      10.10535  
1 1 1 13  1   20 o 74.284  1.5671 272.696  11.490  266.505  14.386  283.602  19.094  73.407  1.9856 75.671  2.5564 -2.264679      3.236926  
1 1 1 13  1   21 o 70.226  1.6044 243.779  11.121  258.195  17.840  234.617  14.222  72.190  2.5038 68.856  2.0927 3.334686       3.263147  
1 1 1 13  1   22 o 85.490  2.0311 361.691  17.139  356.834  21.399  370.380  28.621  84.846  2.5553 86.305  3.3599 -1.458511      4.221144  
1 1 1 13  1   23 f 85.870  1.8810 364.897  15.942  358.197  21.989  372.323  23.148  84.970  2.6218 86.614  2.7077 -1.644020      3.769011  
1 1 1 13  2   0  o 96.549  1.4135 460.225  13.471  435.789  18.595  487.211  19.541  93.932  2.0056 99.320  1.9933 -5.387909      2.827656  
1 1 1 13  2   1  o 49.623  1.1011 121.556  5.3930  111.638  8.7710  127.584  6.8385  47.545  1.8690 50.836  1.3629 -3.290337      2.313129  
1 1 1 13  2   2  o 190.903 2.4565 1800.65  46.288  1794.02  68.156  1806.32  63.063  190.423 3.6262 191.110 3.3431 -0.6872101     4.932147  
1 1 1 13  2   3  o 160.899 2.4880 1279.13  39.513  1240.86  55.489  1318.51  56.279  158.378 3.5496 163.264 3.4924 -4.886185      4.979630  
1 1 1 13  2   4  o 36.579  0.8374 66.041   3.0234  52.210   4.2593  80.086   4.2922  32.520  1.3269 40.279  1.0796 -7.758705      1.710657  
1 1 1 13  2   5  o 220.456 3.2998 2403.41  71.802  2377.14  101.162 2430.07  101.929 219.023 4.6794 221.452 4.6632 -2.428329      6.606250  
1 1 1 13  2   6  o 194.289 2.9546 1865.98  56.660  1877.74  79.840  1854.05  80.422  194.745 4.1536 193.504 4.2106 1.241180       5.914532  
1 1 1 13  2   7  o 168.181 2.5840 1397.66  42.895  1367.04  60.663  1428.28  60.663  166.219 3.6975 169.910 3.6172 -3.691223      5.172559  
1 1 1 13  2   8  o 190.367 2.6874 1790.96  50.496  1795.34  71.448  1786.58  71.375  190.469 3.8004 190.003 3.8059 0.4655609      5.378467  
1 1 1 13  2   9  o 123.180 1.8770 749.341  22.822  747.662  31.925  751.096  32.636  123.002 2.6296 123.280 2.6821 -0.2787628     3.756098  
1 1 1 13  2   10 o 158.817 2.1244 1245.90  33.301  1266.68  47.020  1224.98  47.169  160.068 2.9761 157.405 3.0360 2.662231       4.251443  
1 1 1 13  2   11 o 77.597  1.5037 297.295  11.517  281.006  16.113  314.312  16.468  75.422  2.1644 79.770  2.0916 -4.347023      3.009868  
1 1 1 13  2   12 o 254.215 3.8273 3199.05  96.036  3244.21  135.588 3153.58  136.043 255.628 5.3738 252.005 5.4693 3.622818       7.667511  
1 1 1 13  2   13 o 195.423 2.6971 1887.67  52.024  1913.94  70.852  1856.94  76.634  196.651 3.6502 193.645 4.0094 3.006485       5.422166  
1 1 1 13  2   14 o 287.648 4.5616 4102.30  129.511 4141.47  141.103 3892.81  326.290 288.901 4.9483 276.505 11.955 12.39661       12.93904  
1 1 1 13  2   15 o 80.909  1.6027 323.266  12.799  316.669  18.123  329.830  18.079  80.054  2.2936 81.703  2.2418 -1.648911      3.207261  
1 1 1 13  2   16 o 93.236  1.5586 429.278  14.343  419.548  19.721  440.204  20.899  92.147  2.1683 94.384  2.2433 -2.237114      3.119944  
1 1 1 13  2   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  2   18 o 89.285  6.1855 400.238  54.175  398.709  76.630  401.765  76.601  88.315  8.9127 88.670  8.8714 -0.3551636     12.57528  
1 1 1 13  2   19 o 14.087  5.3067 7.2618   10.046  4.4794   17.471  8.6360   12.278  16.358  6.7277 15.474  5.8579 0.8839827      8.920594  
1 1 1 13  2   20 o 56.835  1.6147 159.622  9.0584  136.946  14.701  173.501  11.501  52.495  2.8479 59.236  1.9671 -6.740200      3.461224  
1 1 1 13  2   21 o 155.969 2.4540 1204.83  37.779  1152.36  51.550  1265.70  55.527  152.279 3.4297 159.560 3.5257 -7.281631      4.918691  
1 1 1 13  2   22 o 94.391  1.7001 440.535  15.840  451.092  21.102  426.909  23.973  95.450  2.2398 92.802  2.6172 2.648598       3.444757  
1 1 1 13  2   23 o 47.056  1.5666 109.473  7.2764  114.951  8.5493  95.073   13.860  48.206  1.7968 43.609  3.2432 4.597034       3.707643  
1 1 1 13  3   0  o 50.899  2.4477 128.006  12.297  134.419  13.083  79.406   36.017  52.156  2.5414 39.008  9.4533 13.14788       9.788920  
1 1 1 13  3   1  o 62.217  1.4081 191.113  8.6473  177.201  14.262  199.201  10.874  59.888  2.4128 63.514  1.7346 -3.626026      2.971554  
1 1 1 13  3   2  o 108.774 1.6951 584.236  18.200  590.255  25.003  577.453  26.543  109.307 2.3174 108.107 2.4875 1.200134       3.399702  
1 1 1 13  3   3  o 145.237 2.8047 1042.56  40.206  1002.10  126.853 1047.07  42.392  141.110 9.1572 145.540 2.9510 -4.430450      9.620988  
1 1 1 13  3   4  o 164.143 2.1899 1330.87  35.480  1306.52  48.066  1360.02  52.592  162.572 2.9954 165.846 3.2128 -3.274536      4.392548  
1 1 1 13  3   5  o 151.629 2.1055 1135.60  31.512  1086.80  44.595  1184.27  44.534  148.269 3.0472 154.786 2.9149 -6.517426      4.216938  
1 1 1 13  3   6  f 57.516  1.3357 163.317  7.5831  153.295  10.139  176.040  11.424  55.715  1.8437 59.704  1.9386 -3.988567      2.675296  
1 1 1 13  3   7  o 41.070  1.0322 83.260   4.1842  86.409   5.6934  79.561   6.1700  41.836  1.3788 40.142  1.5572 1.694046       2.079882  
1 1 1 13  3   8  o 181.642 3.0878 1631.24  55.360  1574.88  78.289  1687.61  78.292  178.305 4.4484 184.599 4.2969 -6.294159      6.184784  
1 1 1 13  3   9  o 142.203 2.1310 998.846  29.911  1014.61  43.224  984.359  41.433  143.255 3.0569 141.110 2.9748 2.145264       4.265433  
1 1 1 13  3   10 o 63.867  1.2708 201.372  8.0109  201.058  10.890  201.742  11.826  63.809  1.7291 63.914  1.8746 -0.1051178     2.550239  
1 1 1 13  3   11 o 47.928  1.1868 113.399  5.6142  123.941  7.8012  102.073  8.0859  50.101  1.5775 45.463  1.8019 4.637783       2.394877  
1 1 1 13  3   12 o 125.934 1.8591 783.245  23.108  778.341  32.724  788.123  32.636  125.494 2.6419 126.282 2.6183 -0.7877274     3.719567  
1 1 1 13  3   13 o 122.838 1.8872 745.239  22.882  779.600  32.628  711.982  32.099  125.594 2.6320 120.018 2.7096 5.575432       3.777498  
1 1 1 13  3   14 o 63.166  1.5260 197.010  9.5144  195.992  13.464  198.025  13.446  62.986  2.1658 63.312  2.1517 -0.3262482     3.052933  
1 1 1 13  3   15 o 214.879 3.9115 2286.70  82.961  2281.32  89.753  2318.22  217.407 214.562 4.2380 214.159 10.285 0.4025116      11.12395  
1 1 1 13  3   16 f 38.257  1.3928 72.266   5.2593  72.297   10.698  72.257   6.0395  38.129  2.8634 38.252  1.5996 -0.1226044     3.279943  
1 1 1 13  3   17 o 183.238 4.2915 1665.24  77.618  1630.74  86.075  1815.39  179.562 181.215 4.8123 189.216 9.6464 -8.000732      10.78012  
1 1 1 13  3   18 o 52.896  6.4125 141.794  32.796  147.521  46.109  135.931  46.658  53.312  9.0884 50.986  9.6242 2.326214       13.23717  
1 1 1 13  3   19 o 142.473 3.6389 1006.67  51.172  978.294  128.115 1012.06  55.818  138.241 9.4458 142.789 3.9604 -4.547974      10.24243  
1 1 1 13  3   20 o 57.060  1.9133 160.947  10.776  161.940  15.068  159.908  15.417  57.191  2.6692 56.825  2.7486 0.3654137      3.831412  
1 1 1 13  3   21 o 23.982  3.5153 29.173   8.0741  18.552   11.003  41.564   11.885  19.032  5.5289 28.555  4.3546 -9.522823      7.037815  
1 1 1 13  3   22 o 71.149  1.6719 250.272  11.741  242.285  17.898  256.304  15.555  69.918  2.5935 71.956  2.1902 -2.038307      3.394602  
1 1 1 13  3   23 o 53.738  1.7366 142.811  9.2113  169.323  18.660  134.270  10.592  58.273  3.2573 52.084  2.0603 6.188934       3.854232  
1 1 1 13  3   24 o 23.471  7.5027 28.057   19.636  42.893   35.653  21.597   23.525  29.246  10.130 22.278  8.1711 6.967819       13.01449  
1 1 1 13  4   0  o 120.906 8.9201 736.461  105.699 736.461  105.699 0.0000   0.0000  120.906 8.9201 ?       ?      0.000000       8.920056  
1 1 1 13  4   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  4   2  o 76.458  6.0003 292.222  44.919  289.647  63.534  294.795  63.516  75.600  8.6711 76.296  8.5833 -0.6962357     12.20083  
1 1 1 13  4   3  o 28.973  1.1810 41.440   3.3775  41.683   4.7462  41.190   4.8073  29.007  1.6647 28.832  1.6967 0.1745949      2.376983  
1 1 1 13  4   4  o 112.170 2.4056 621.618  26.634  0.0000   0.0000  621.618  26.634  ?       ?      112.170 2.4056 0.000000       2.405643  
1 1 1 13  4   5  o 16.233  3.2094 13.486   4.9600  9.0996   6.3325  20.449   7.9781  13.619  4.2490 19.952  4.1848 -6.332685      5.963783  
1 1 1 13  4   6  o 28.471  1.8881 40.207   5.2757  39.886   6.7568  40.710   8.4443  28.308  2.4421 28.535  3.0452 -0.2268219     3.903455  
1 1 1 13  4   7  o 85.479  1.3592 360.721  11.468  331.494  15.920  392.241  16.533  81.928  1.9687 89.122  1.8794 -7.193954      2.721771  
1 1 1 13  4   8  o 107.406 1.6256 569.606  17.234  577.899  23.947  560.698  24.820  108.161 2.2431 106.533 2.3604 1.627251       3.256219  
1 1 1 13  4   9  o 73.936  1.3715 269.882  10.009  278.669  14.987  262.810  13.447  75.114  2.0215 72.950  1.8675 2.164520       2.752043  
1 1 1 13  4   10 o 133.587 2.1175 881.480  27.920  922.474  39.489  840.502  39.481  136.604 2.9287 130.383 3.0679 6.221100       4.241398  
1 1 1 13  4   11 o 180.259 2.4001 1605.44  42.702  1656.33  60.504  1554.92  60.278  182.995 3.3497 177.293 3.4445 5.701813       4.804735  
1 1 1 13  4   12 o 140.749 1.9882 978.460  27.621  974.869  39.069  982.049  39.056  140.433 2.8186 140.951 2.8073 -0.5170898     3.978094  
1 1 1 13  4   13 o 129.208 1.8816 824.524  23.997  833.772  32.993  814.135  34.967  129.889 2.5735 128.337 2.7604 1.552063       3.773952  
1 1 1 13  4   14 o 166.204 2.5693 1365.22  42.148  1361.15  59.838  1369.23  59.378  165.835 3.6557 166.331 3.6168 -0.4968567     5.142460  
1 1 1 13  4   15 o 51.487  1.2214 130.873  6.2073  129.096  8.8288  132.610  8.7289  51.128  1.7495 51.820  1.7066 -0.6919479     2.444019  
1 1 1 13  4   16 o 70.178  1.4379 243.178  9.9603  245.895  14.501  240.750  13.705  70.550  2.0823 69.811  1.9890 0.7388382      2.879605  
1 1 1 13  4   17 o 82.453  2.8019 336.203  22.803  405.796  71.941  328.430  24.043  89.535  8.2327 81.483  2.9894 8.052605       8.758668  
1 1 1 13  4   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  4   19 o 93.670  2.3014 433.805  21.277  452.738  29.024  411.806  31.285  95.624  3.0750 91.157  3.4771 4.466324       4.641765  
1 1 1 13  4   20 o 84.725  1.5695 354.634  13.125  350.938  17.448  359.450  19.921  84.248  2.0982 85.243  2.3676 -0.9941177     3.163574  
1 1 1 13  4   21 o 148.720 2.2579 1094.44  33.144  1049.73  48.816  1132.68  45.144  145.407 3.4013 151.137 3.0262 -5.730118      4.552639  
1 1 1 13  4   22 o 90.306  1.9548 403.421  17.424  421.211  25.050  386.746  24.252  92.170  2.7536 88.314  2.7822 3.855606       3.914436  
1 1 1 13  4   23 o 37.187  2.8413 69.012   10.350  66.483   15.957  70.849   13.599  36.176  4.5709 37.536  3.7193 -1.360641      5.892942  
1 1 1 13  4   24 o 122.086 2.0315 737.877  24.480  747.013  34.950  729.079  34.299  122.646 2.8871 121.170 2.8678 1.476143       4.069325  
1 1 1 13  5   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  5   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  5   2  o 53.155  8.7089 144.984  44.109  144.984  44.109  0.0000   0.0000  53.155  8.7089 ?       ?      0.000000       8.708865  
1 1 1 13  5   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  5   4  o 275.051 9.3922 3795.27  254.984 0.0000   0.0000  3795.27  254.984 ?       ?      275.051 9.3922 0.000000       9.392176  
1 1 1 13  5   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  5   6  o 82.113  1.4689 332.889  11.905  339.454  16.980  326.541  16.696  82.902  2.0752 81.310  2.0803 1.592300       2.938379  
1 1 1 13  5   7  o 152.696 2.1658 1151.70  32.642  1133.48  46.146  1169.94  46.179  151.415 3.0877 153.835 3.0413 -2.419846      4.333971  
1 1 1 13  5   8  o 65.458  1.3295 211.534  8.5901  217.117  12.465  206.485  11.854  66.305  1.9047 64.662  1.8573 1.642700       2.660362  
1 1 1 13  5   9  o 59.477  1.2387 174.632  7.2721  163.767  10.125  186.207  10.451  57.588  1.7813 61.408  1.7242 -3.820080      2.479152  
1 1 1 13  5   10 o 252.641 3.4088 3157.12  85.003  3181.90  123.634 3134.90  117.061 253.315 4.9447 251.491 4.7158 1.824173       6.832936  
1 1 1 13  5   11 o 91.878  1.5255 416.797  13.835  408.033  19.527  425.631  19.604  90.885  2.1767 92.826  2.1396 -1.940697      3.052213  
1 1 1 13  5   12 f 78.715  1.4177 305.913  11.015  313.198  15.437  298.354  15.723  79.632  1.9639 77.719  2.0496 1.912704       2.838621  
1 1 1 13  5   13 o 209.915 2.8790 2178.44  59.652  2206.33  84.215  2150.35  84.507  211.077 4.0422 208.370 4.1089 2.706665       5.763840  
1 1 1 13  5   14 o 163.394 2.8305 1319.86  45.650  1347.63  57.291  1271.57  75.550  165.027 3.5172 160.121 4.7803 4.905304       5.934779  
1 1 1 13  5   15 o 75.050  1.4041 278.099  10.401  286.346  14.208  268.574  15.269  76.141  1.8905 73.734  2.0980 2.407509       2.824131  
1 1 1 13  5   16 o 91.921  2.2541 417.499  20.451  411.152  78.972  417.955  21.173  89.988  9.0122 91.967  2.3325 -1.978775      9.309133  
1 1 1 13  5   17 o 130.186 6.3803 845.125  81.986  814.736  115.983 875.475  115.908 126.763 9.3355 131.555 8.9800 -4.791939      12.95340  
1 1 1 13  5   18 f 78.218  6.1808 307.033  47.330  308.780  66.789  305.272  67.080  77.773  8.8586 77.296  8.9584 0.4773254      12.59871  
1 1 1 13  5   19 o 90.959  2.5716 409.196  23.087  393.921  29.260  434.393  37.580  89.180  3.3241 93.566  4.0692 -4.385307      5.254348  
1 1 1 13  5   20 o 150.305 2.1846 1117.04  32.410  1050.53  45.298  1186.81  46.392  145.613 3.1517 154.791 3.0364 -9.178238      4.376433  
1 1 1 13  5   21 o 20.865  3.5780 22.220   7.1035  22.548   8.9894  21.675   11.591  20.879  4.4950 20.471  5.5825 0.4076920      7.167256  
1 1 1 13  5   22 o 55.310  1.4317 151.159  7.8159  151.619  17.909  151.051  8.6868  55.152  3.3052 55.282  1.5920 -0.1303291     3.668610  
1 1 1 13  5   23 o 61.869  1.5861 189.227  9.6858  205.374  19.857  184.186  11.095  64.299  3.1289 61.022  1.8421 3.277168       3.630865  
1 1 1 13  5   24 f 14.569  4.9595 9.8814   8.5351  11.946   12.788  8.2231   11.462  16.709  6.0402 14.937  5.6585 1.771734       8.276649  
1 1 1 13  6   0  o 234.603 10.509 2776.47  243.338 0.0000   0.0000  2776.47  243.338 ?       ?      234.603 10.509 0.000000       10.50855  
1 1 1 13  6   1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  6   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  6   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  6   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  6   5  o 234.236 6.4294 2728.91  148.648 0.0000   0.0000  2728.91  148.648 ?       ?      234.236 6.4294 0.000000       6.429446  
1 1 1 13  6   6  o 191.219 5.2867 1814.06  99.782  1814.06  99.782  0.0000   0.0000  191.219 5.2867 ?       ?      0.000000       5.286747  
1 1 1 13  6   7  f 247.989 4.1759 3045.09  102.215 3103.79  144.555 2986.39  144.552 249.970 5.8588 245.166 5.9735 4.804291       8.367146  
1 1 1 13  6   8  o 114.173 1.7482 643.698  19.701  632.046  27.798  655.457  27.925  113.101 2.4901 115.178 2.4563 -2.077400      3.497698  
1 1 1 13  6   9  o 136.139 2.1543 915.494  28.948  926.079  41.216  905.190  40.668  136.862 3.0511 135.310 3.0450 1.551849       4.310589  
1 1 1 13  6   10 o 21.957  0.9999 23.799   2.1670  25.288   3.0711  22.321   3.0583  22.590  1.3840 21.212  1.4698 1.378042       2.018851  
1 1 1 13  6   11 o 177.857 3.0106 1563.98  52.851  1642.72  74.745  1485.25  74.740  182.129 4.1579 173.148 4.3732 8.980774       6.034297  
1 1 1 13  6   12 o 93.206  1.5416 428.945  14.182  416.704  19.785  441.882  20.340  91.844  2.1825 94.578  2.1788 -2.734192      3.083949  
1 1 1 13  6   13 o 90.396  1.5898 403.487  14.185  390.348  19.895  417.072  20.229  88.887  2.2676 91.881  2.2306 -2.993904      3.180818  
1 1 1 13  6   14 o 233.922 3.2201 2706.60  74.349  2643.11  105.289 2769.74  105.001 230.888 4.6201 236.382 4.5004 -5.494156      6.449671  
1 1 1 13  6   15 o 138.940 2.1469 953.694  29.442  912.221  43.057  990.116  40.350  135.798 3.2123 141.508 2.8889 -5.710632      4.320225  
1 1 1 13  6   16 o 57.843  1.4341 165.204  8.1877  173.569  11.267  155.844  11.918  59.278  1.9257 56.164  2.1500 3.114326       2.886289  
1 1 1 13  6   17 o 40.906  6.4092 85.384   25.028  80.799   35.006  90.178   35.796  39.279  9.1921 41.553  8.9891 -2.274178      12.85685  
1 1 1 13  6   18 o 47.372  6.2924 113.866  28.694  118.482  40.441  109.187  40.720  47.748  8.9088 45.697  9.3430 2.050446       12.90963  
1 1 1 13  6   19 o 147.557 2.3622 1076.45  34.404  1061.23  50.191  1089.94  47.252  146.360 3.4743 148.365 3.2266 -2.005463      4.741550  
1 1 1 13  6   20 o 33.339  1.4145 54.897   4.6547  43.653   12.025  56.878   5.0482  29.338  4.2787 33.934  1.5072 -4.596416      4.536434  
1 1 1 13  6   21 o 83.082  1.7411 341.137  14.278  329.736  20.594  351.688  19.812  81.615  2.5564 84.305  2.3809 -2.690033      3.493444  
1 1 1 13  6   22 o 11.780  2.1906 7.0872   2.4532  6.7963   2.5238  12.069   10.445  11.515  2.3010 16.112  5.4863 -4.596980      5.949287  
1 1 1 13  6   23 o 50.043  1.6750 123.823  8.2734  128.633  9.6439  110.415  16.101  50.991  1.9161 46.983  3.4971 4.008541       3.987650  
1 1 1 13  6   24 o 119.253 2.0690 704.010  24.353  708.912  35.422  699.615  33.537  119.464 3.0040 118.713 2.8622 0.7505951      4.149242  
1 1 1 13  6   25 f 23.987  1.1150 28.425   2.6398  18.564   3.7842  37.771   3.6842  19.258  2.0209 27.644  1.3502 -8.386227      2.430497  
1 1 1 13  7   0  o 73.415  1.3437 266.096  9.7369  260.666  13.673  271.683  13.869  72.649  1.9068 74.168  1.8945 -1.519714      2.687955  
1 1 1 13  7   1  o 163.224 4.6074 1320.43  74.228  1320.43  74.228  0.0000   0.0000  163.224 4.6074 ?       ?      0.000000       4.607358  
1 1 1 13  7   2  o 46.177  8.7388 110.209  38.371  0.0000   0.0000  110.209  38.371  ?       ?      46.177  8.7388 0.000000       8.738763  
1 1 1 13  7   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  7   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  7   5  o 113.626 3.4331 638.625  38.503  638.625  38.503  0.0000   0.0000  113.626 3.4331 ?       ?      0.000000       3.433089  
1 1 1 13  7   6  o 142.827 2.6655 1008.13  37.578  1114.94  69.439  963.903  44.686  149.988 4.6905 139.613 3.2428 10.37462       5.702291  
1 1 1 13  7   7  o 263.022 5.5680 3434.61  144.551 3434.61  144.551 0.0000   0.0000  263.022 5.5680 ?       ?      0.000000       5.567952  
1 1 1 13  7   8  o 132.618 2.1988 868.798  28.782  873.958  42.524  864.435  39.100  132.939 3.2408 132.232 2.9958 0.7067261      4.413324  
1 1 1 13  7   9  o 293.302 3.9551 4258.59  114.500 4227.67  161.931 4289.50  161.924 291.779 5.6227 293.918 5.5815 -2.139069      7.922618  
1 1 1 13  7   10 o 215.158 3.6370 2290.68  77.238  2322.31  109.232 2259.04  109.230 216.360 5.1149 213.377 5.1863 2.983292       7.284281  
1 1 1 13  7   11 f 134.594 1.8999 894.698  25.240  862.081  35.158  929.390  36.259  132.069 2.6970 137.129 2.6788 -5.060257      3.801332  
1 1 1 13  7   12 o 125.990 2.0248 784.054  25.179  806.880  35.992  762.174  35.238  127.757 2.8542 124.166 2.8753 3.591209       4.051390  
1 1 1 13  7   13 o 124.352 1.8526 763.706  22.739  746.149  32.405  780.737  31.915  122.865 2.6721 125.688 2.5726 -2.822464      3.709212  
1 1 1 13  7   14 o 136.038 1.8659 914.024  25.054  893.812  35.213  934.747  35.655  134.473 2.6530 137.520 2.6268 -3.046921      3.733377  
1 1 1 13  7   15 o 133.784 1.9214 884.047  25.372  871.328  35.722  896.995  36.044  132.761 2.7260 134.704 2.7109 -1.942444      3.844524  
1 1 1 13  7   16 o 129.775 2.0077 831.971  25.717  842.543  36.297  821.313  36.443  130.536 2.8171 128.877 2.8648 1.659210       4.017878  
1 1 1 13  7   17 o 102.999 6.1985 530.558  62.723  520.659  88.702  540.458  88.707  101.307 8.9632 103.284 8.7849 -1.976395      12.55047  
1 1 1 13  7   18 o 49.450  6.2040 123.814  29.614  130.013  42.060  117.720  41.704  50.093  8.8294 47.517  9.2244 2.575535       12.76904  
1 1 1 13  7   19 o 89.820  1.7516 398.533  15.529  393.795  22.680  402.714  21.306  89.234  2.5750 90.252  2.3918 -1.017776      3.514399  
1 1 1 13  7   20 o 80.614  1.6724 321.048  13.307  351.009  18.900  291.596  18.739  84.254  2.2727 76.780  2.4727 7.474464       3.358447  
1 1 1 13  7   21 o 30.684  1.1032 46.491   3.3412  53.001   4.7916  40.330   4.6614  32.755  1.4821 28.521  1.6631 4.234434       2.227648  
1 1 1 13  7   22 o 183.766 2.5334 1672.58  45.951  1676.24  65.572  1669.04  64.412  183.626 3.6179 183.252 3.5611 0.3742371      5.076458  
1 1 1 13  7   23 o 33.979  3.2722 57.902   10.839  49.140   16.158  65.069   14.614  30.807  5.5166 35.865  4.2083 -5.058104      6.938499  
1 1 1 13  7   24 o 61.750  2.3043 188.902  14.044  194.570  20.978  184.298  18.907  62.435  3.4170 60.810  3.1609 1.625599       4.654788  
1 1 1 13  7   25 o 36.029  3.3343 65.176   11.723  72.496   17.243  58.884   15.986  37.707  4.7375 33.879  4.9247 3.827538       6.833479  
1 1 1 13  8   0  f 77.795  1.3481 298.795  10.352  282.903  14.247  316.567  15.066  75.683  1.9071 80.059  1.9066 -4.376396      2.696744  
1 1 1 13  8   1  o 154.377 2.0869 1177.23  31.799  1148.47  44.561  1207.07  45.391  152.410 2.9622 156.251 2.9431 -3.841141      4.175704  
1 1 1 13  8   2  o 109.380 6.1478 596.807  66.103  601.697  93.539  591.928  93.429  109.238 8.7488 108.325 8.8146 0.9131165      12.41929  
1 1 1 13  8   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  8   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  8   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  8   6  o 173.136 2.6444 1481.42  45.190  1471.70  63.560  1491.36  64.263  172.449 3.7341 173.595 3.7505 -1.146088      5.292450  
1 1 1 13  8   7  o 59.117  1.2808 172.530  7.4736  173.482  10.465  171.538  10.677  59.270  1.7888 58.937  1.8353 0.3339539      2.562879  
1 1 1 13  8   8  o 107.700 2.1728 572.988  23.098  552.213  28.289  614.539  40.007  105.702 2.7115 111.443 3.6371 -5.740570      4.536579  
1 1 1 13  8   9  o 67.696  1.4390 226.264  9.6155  234.446  13.253  217.171  13.972  68.898  1.9489 66.306  2.1349 2.591972       2.890643  
1 1 1 13  8   10 o 89.483  1.5765 395.370  13.924  410.058  19.491  380.060  19.900  91.109  2.1674 87.708  2.2986 3.401077       3.159340  
1 1 1 13  8   11 o 126.954 2.0342 796.103  25.490  807.824  35.823  784.083  36.277  127.833 2.8392 125.935 2.9185 1.898376       4.071645  
1 1 1 13  8   12 o 185.503 2.6144 1700.73  47.868  1715.63  67.558  1685.70  67.834  186.181 3.6763 184.543 3.7241 1.638168       5.232949  
1 1 1 13  8   13 o 158.104 2.1853 1234.93  34.103  1209.85  47.927  1260.64  48.538  156.407 3.1045 159.659 3.0800 -3.252029      4.373111  
1 1 1 13  8   14 o 72.448  1.3917 259.146  9.9515  260.686  13.704  257.427  14.475  72.649  1.9111 72.189  2.0314 0.4594650      2.789107  
1 1 1 13  8   15 o 66.534  1.5187 218.584  9.9732  231.080  13.395  203.042  14.939  68.396  1.9842 64.100  2.3612 4.295799       3.084218  
1 1 1 13  8   16 o 38.674  2.1877 74.134   8.3166  67.833   11.468  81.124   12.078  36.893  3.1805 40.383  3.0527 -3.490955      4.408467  
1 1 1 13  8   17 o 67.451  6.0056 228.371  39.565  228.528  55.877  228.213  56.030  66.876  8.6690 66.821  8.7017 0.5467224E-01  12.28297  
1 1 1 13  8   18 o 64.221  6.1138 207.477  38.287  210.931  54.105  204.013  54.186  64.131  8.7779 63.001  8.9667 1.129250       12.54806  
1 1 1 13  8   19 o 82.542  2.5066 336.909  20.422  332.122  20.814  460.235  105.649 81.949  2.5732 93.967  11.640 -12.01777      11.92103  
1 1 1 13  8   20 o 53.827  2.7689 143.768  14.661  168.457  20.179  116.163  21.338  58.185  3.5303 48.124  4.5460 10.06166       5.755793  
1 1 1 13  8   21 o 72.067  2.0487 256.799  14.573  285.878  21.836  233.449  19.568  75.966  2.9122 68.649  2.8878 7.316368       4.101313  
1 1 1 13  8   22 o 16.967  5.1022 14.547   9.2386  11.922   12.945  17.272   13.189  16.803  6.0768 18.842  6.1598 -2.039110      8.652776  
1 1 1 13  8   23 f 71.019  2.2475 249.748  15.755  227.877  22.931  269.302  21.683  67.601  3.4481 73.654  2.9825 -6.053375      4.559022  
1 1 1 13  8   24 o 47.738  2.8501 113.534  13.368  126.578  21.339  105.108  17.151  50.115  4.3573 45.748  3.8335 4.366779       5.803628  
1 1 1 13  8   25 o 37.813  3.4998 71.850   12.914  71.483   20.368  72.097   16.700  37.170  5.7362 37.639  4.5903 -0.4689865     7.346732  
1 1 1 13  9   0  o 61.924  1.3730 189.325  8.3920  194.948  11.926  183.811  11.811  62.824  1.9233 61.002  1.9616 1.821915       2.747128  
1 1 1 13  9   1  o 126.405 1.7832 789.096  22.248  857.809  32.430  728.006  30.578  131.750 2.4938 121.369 2.5525 10.38068       3.568510  
1 1 1 13  9   2  o 217.442 4.2138 2342.15  90.438  2410.91  129.028 2275.74  126.799 220.206 5.9364 213.925 6.0051 6.280655       8.444066  
1 1 1 13  9   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  9   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  9   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  9   6  o 76.173  1.4215 286.477  10.688  300.941  14.888  271.097  15.352  78.059  1.9323 74.082  2.0995 3.976624       2.853362  
1 1 1 13  9   7  o 129.031 2.0493 822.366  26.099  823.238  36.558  821.459  37.271  129.046 2.8702 128.902 2.9294 0.1440735      4.101130  
1 1 1 13  9   8  o 72.972  1.4044 262.897  10.115  270.028  14.090  255.314  14.530  73.941  1.9306 71.895  2.0476 2.046112       2.814204  
1 1 1 13  9   9  o 146.968 2.2862 1067.14  33.164  1054.51  47.111  1079.55  46.694  146.013 3.2689 147.743 3.2020 -1.730164      4.575868  
1 1 1 13  9   10 o 40.071  1.1873 79.267   4.6959  78.780   6.6284  79.758   6.6536  39.942  1.6813 40.189  1.6773 -0.2473030     2.374905  
1 1 1 13  9   11 o 76.531  1.5494 289.202  11.704  295.867  16.437  282.349  16.668  77.389  2.1519 75.598  2.2338 1.791573       3.101715  
1 1 1 13  9   12 o 106.488 1.8088 560.031  19.012  558.089  26.449  562.107  27.347  106.267 2.5216 106.644 2.5980 -0.3772736     3.620501  
1 1 1 13  9   13 o 135.249 2.3172 903.844  30.933  886.807  43.032  922.062  44.498  133.889 3.2562 136.520 3.3022 -2.630875      4.637628  
1 1 1 13  9   14 o 168.803 2.5499 1408.36  42.486  1386.73  57.688  1433.99  62.805  167.392 3.4916 170.185 3.7389 -2.793518      5.115669  
1 1 1 13  9   15 f 83.004  1.6517 340.240  13.532  360.150  18.929  319.430  19.352  85.374  2.2463 80.395  2.4387 4.979790       3.315586  
1 1 1 13  9   16 o 45.799  2.6593 104.051  11.970  102.988  17.209  105.047  16.660  45.433  3.8746 45.909  3.7083 -0.4759941     5.363218  
1 1 1 13  9   17 o 72.997  8.7248 271.847  61.617  271.847  61.617  0.0000   0.0000  72.997  8.7248 ?       ?      0.000000       8.724792  
1 1 1 13  9   18 o 102.704 2.6028 521.587  26.386  476.374  35.945  574.418  38.855  98.054  3.7140 107.679 3.6558 -9.625229      5.211408  
1 1 1 13  9   19 o 76.777  1.6735 291.175  12.682  278.305  17.712  304.713  18.166  75.026  2.3918 78.508  2.3444 -3.481651      3.349103  
1 1 1 13  9   20 o 81.626  1.9948 329.310  16.071  373.177  24.264  295.024  21.452  86.828  2.8312 77.204  2.8150 9.624321       3.992547  
1 1 1 13  9   21 o 62.645  1.4249 193.853  8.8104  211.504  12.898  178.412  12.063  65.406  1.9979 60.070  2.0346 5.336304       2.851518  
1 1 1 13  9   22 o 118.829 2.1369 698.610  25.063  730.674  37.289  672.190  33.850  121.356 3.1131 116.430 2.9455 4.925804       4.285665  
1 1 1 13  9   23 o 82.327  2.1012 335.475  17.074  356.640  26.779  320.977  22.164  84.721  3.2023 80.439  2.7916 4.282242       4.248264  
1 1 1 13  9   24 o 76.855  2.1560 292.524  16.355  277.841  25.409  302.911  21.372  74.701  3.4461 78.120  2.7717 -3.419151      4.422441  
1 1 1 13  9   25 o 39.319  9.2300 84.507   35.207  0.0000   0.0000  84.507   35.207  ?       ?      39.319  9.2300 0.000000       9.229966  
1 1 1 13  10  0  o 73.149  1.3384 264.184  9.6632  275.139  13.722  253.406  13.611  74.634  1.8626 71.624  1.9253 3.010338       2.678821  
1 1 1 13  10  1  o 77.846  1.4161 299.212  10.881  295.342  15.969  302.566  14.866  77.320  2.0925 78.266  1.9244 -0.9460831     2.842821  
1 1 1 13  10  2  o 50.029  1.5881 123.592  7.8419  120.432  11.756  126.126  10.526  49.367  2.4126 50.528  2.1106 -1.161278      3.205477  
1 1 1 13  10  3  o 162.291 6.5653 1312.00  105.168 1315.74  148.739 1308.26  148.720 161.493 9.3715 161.021 9.3982 0.4717865      13.27220  
1 1 1 13  10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  10  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  10  6  o 51.282  1.4476 129.847  7.3274  127.616  9.0141  134.193  12.581  50.834  1.7965 52.112  2.4460 -1.278164      3.034833  
1 1 1 13  10  7  o 137.851 2.1708 938.773  29.536  956.336  41.565  920.856  41.980  139.069 3.0280 136.457 3.1168 2.611984       4.345529  
1 1 1 13  10  8  o 47.899  1.2098 113.265  5.7198  118.897  7.9203  107.126  8.2690  49.069  1.6353 46.574  1.7988 2.494949       2.430998  
1 1 1 13  10  9  o 70.269  2.1670 243.932  15.030  0.0000   0.0000  243.932  15.030  ?       ?      70.269  2.1670 0.000000       2.166955  
1 1 1 13  10  10 f 101.509 1.7193 508.850  17.226  513.062  23.769  504.190  25.000  101.899 2.3632 101.006 2.5076 0.8926239      3.445676  
1 1 1 13  10  11 o 123.488 1.9975 753.246  24.347  724.867  34.625  780.999  34.241  121.080 2.8973 125.692 2.7600 -4.611481      4.001469  
1 1 1 13  10  12 o 82.982  1.6118 340.037  13.201  353.910  18.701  326.257  18.638  84.635  2.2386 81.257  2.3239 3.377335       3.226733  
1 1 1 13  10  13 o 50.941  1.2757 128.114  6.4142  136.183  8.9398  119.553  9.2083  52.512  1.7248 49.198  1.8963 3.314308       2.563342  
1 1 1 13  10  14 o 95.288  1.6641 448.404  15.651  462.865  22.265  434.280  22.005  96.782  2.3308 93.743  2.3781 3.038544       3.329876  
1 1 1 13  10  15 o 109.649 1.8670 593.869  20.206  571.066  28.922  615.610  28.241  107.471 2.7265 111.596 2.5639 -4.124687      3.742584  
1 1 1 13  10  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  10  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  10  18 o 48.730  1.7422 117.295  8.3797  135.170  19.344  113.166  9.2974  52.088  3.7885 47.858  1.9682 4.229351       4.269267  
1 1 1 13  10  19 o 28.624  1.1294 40.452   3.1908  44.769   4.6124  36.490   4.4189  30.066  1.5596 27.129  1.6582 2.937737       2.276389  
1 1 1 13  10  20 o 45.362  1.8738 101.687  8.3898  0.0000   0.0000  101.687  8.3898  ?       ?      45.362  1.8738 0.000000       1.873833  
1 1 1 13  10  21 o 45.774  2.8660 104.197  12.884  119.264  20.286  94.011   16.680  48.777  4.2562 43.316  3.9445 5.460274       5.802969  
1 1 1 13  10  22 o 132.714 2.2020 871.576  28.845  875.771  42.679  868.049  39.137  132.822 3.2555 132.294 2.9972 0.5277557      4.425063  
1 1 1 13  10  23 o 31.629  3.6793 50.474   11.272  44.132   17.513  54.959   14.727  28.986  6.3010 32.815  4.6796 -3.828821      7.848584  
1 1 1 13  10  24 o 13.708  1.8652 9.4686   2.4581  13.439   11.231  9.2688   2.5192  16.834  5.6894 13.549  1.9391 3.285276       6.010744  
1 1 1 13  10  25 o 28.860  6.9327 44.370   19.501  47.090   27.631  41.670   27.527  29.640  8.8035 28.144  8.8715 1.496338       12.49822  
1 1 1 13  10  26 o 37.879  3.2786 72.054   12.137  80.299   18.737  66.093   15.932  39.607  4.8971 35.962  4.5933 3.645092       6.714163  
1 1 1 13  11  0  o 162.835 2.0943 1310.14  33.661  1314.06  47.692  1306.25  47.516  162.980 2.9647 162.495 2.9626 0.4848938      4.191172  
1 1 1 13  11  1  o 69.991  1.4217 241.885  9.8219  255.584  13.786  227.764  13.997  71.930  1.9418 67.897  2.0885 4.032501       2.851763  
1 1 1 13  11  2  o 61.133  1.3418 184.517  8.0966  181.171  12.078  187.248  10.911  60.559  2.0206 61.573  1.7954 -1.013577      2.703005  
1 1 1 13  11  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  11  4  o 65.721  6.9997 217.867  44.708  220.034  54.803  213.554  77.303  65.680  8.6650 63.588  12.760 2.091915       15.42411  
1 1 1 13  11  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  11  6  o 47.573  1.4306 111.743  6.7174  100.104  12.218  116.785  8.0419  44.914  2.7695 48.630  1.6754 -3.715981      3.236862  
1 1 1 13  11  7  f 20.300  3.7145 21.038   7.1685  24.016   9.4782  17.058   10.958  21.604  4.5867 18.457  5.5581 3.146812       7.206249  
1 1 1 13  11  8  o 157.970 2.2528 1232.94  35.126  1215.81  49.590  1250.19  49.760  156.778 3.2046 158.982 3.1710 -2.204407      4.508338  
1 1 1 13  11  9  o 110.259 1.7485 600.388  19.029  601.935  26.807  598.818  27.017  110.364 2.4609 110.076 2.4867 0.2877045      3.498478  
1 1 1 13  11  10 o 45.180  1.7593 100.809  7.8453  0.0000   0.0000  100.809  7.8453  ?       ?      45.180  1.7593 0.000000       1.759276  
1 1 1 13  11  11 o 93.680  1.6384 433.374  15.149  435.210  21.328  431.505  21.522  93.849  2.3024 93.447  2.3334 0.4018478      3.278075  
1 1 1 13  11  12 o 152.728 2.4230 1152.76  36.526  1170.16  45.667  1121.87  60.854  153.818 3.0079 150.474 4.0973 3.344315       5.082796  
1 1 1 13  11  13 o 80.487  1.5537 319.898  12.343  323.478  17.315  316.200  17.600  80.914  2.1681 79.996  2.2290 0.9181290      3.109520  
1 1 1 13  11  14 o 13.711  1.6814 9.4234   2.2278  13.552   3.1613  5.3499   3.1400  16.444  1.9881 10.283  2.9439 6.160175       3.552298  
1 1 1 13  11  15 o 61.896  1.8620 189.244  11.376  199.060  16.906  181.123  15.378  63.450  2.6995 60.529  2.5739 2.921001       3.729897  
1 1 1 13  11  16 o 165.357 6.6302 1365.48  108.214 1336.88  152.903 1394.19  153.173 162.318 9.5862 165.861 9.3949 -3.542999      13.42235  
1 1 1 13  11  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  11  18 o 62.463  1.6756 192.723  10.331  173.816  14.765  210.857  14.460  59.288  2.5231 65.314  2.2430 -6.026005      3.375920  
1 1 1 13  11  19 o 71.239  1.6598 250.699  11.671  265.886  16.869  236.755  16.164  73.331  2.3306 69.196  2.3667 4.135712       3.321627  
1 1 1 13  11  20 o 52.249  2.4686 135.056  12.731  126.737  19.167  141.624  17.031  50.378  3.8845 53.360  3.2491 -2.982021      5.064206  
1 1 1 13  11  21 o 51.577  1.9299 131.515  9.8250  0.0000   0.0000  131.515  9.8250  ?       ?      51.577  1.9299 0.000000       1.929944  
1 1 1 13  11  22 o 57.597  2.3194 164.224  13.186  159.296  19.253  168.579  18.096  56.514  3.4682 58.194  3.1623 -1.679634      4.693404  
1 1 1 13  11  23 o 93.482  1.9574 432.424  18.061  424.826  24.659  441.216  26.526  92.546  2.6995 94.287  2.8503 -1.741081      3.925741  
1 1 1 13  11  24 o 57.618  4.0343 166.732  22.799  163.409  25.623  179.366  49.957  56.890  4.6026 57.888  9.0388 -0.9976578     10.14313  
1 1 1 13  11  25 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  11  26 f 84.207  2.5224 352.116  20.965  349.351  35.590  353.585  25.945  83.265  4.3455 84.245  3.1201 -0.9797668     5.349597  
1 1 1 13  12  0  o 137.565 1.9212 935.034  26.087  987.946  37.913  887.458  35.950  141.321 2.7180 133.941 2.7193 7.380051       3.844723  
1 1 1 13  12  1  o 111.412 1.6653 613.065  18.313  644.368  26.301  583.607  25.514  114.177 2.3337 108.658 2.3790 5.519829       3.332554  
1 1 1 13  12  2  o 126.951 1.7549 796.019  21.989  781.234  31.095  810.807  31.099  125.713 2.5060 128.074 2.4601 -2.361153      3.511719  
1 1 1 13  12  3  o 120.819 6.2657 729.362  74.465  697.130  105.269 761.643  105.349 117.292 9.1656 122.767 8.7512 -5.474892      12.67249  
1 1 1 13  12  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  12  5  o 116.846 3.3982 675.637  39.192  674.620  40.718  688.442  144.515 116.745 3.5336 115.217 12.931 1.527260       13.40481  
1 1 1 13  12  6  o 63.220  1.6704 197.378  10.424  184.165  14.486  211.564  15.010  61.046  2.4042 65.433  2.3241 -4.386562      3.343853  
1 1 1 13  12  7  o 59.836  1.7322 176.823  10.231  166.920  14.171  187.605  14.786  58.116  2.4704 61.613  2.4313 -3.497009      3.466091  
1 1 1 13  12  8  o 195.816 3.1343 1896.69  60.579  1815.63  103.720 1938.65  74.631  191.130 5.4979 197.859 3.8215 -6.728958      6.695585  
1 1 1 13  12  9  o 95.535  1.6360 450.714  15.426  433.640  21.547  468.671  22.097  93.677  2.3303 97.389  2.2987 -3.712029      3.273252  
1 1 1 13  12  10 o 68.110  1.4694 229.061  9.8784  219.176  12.986  242.633  15.218  66.611  1.9752 70.077  2.2001 -3.465950      2.956673  
1 1 1 13  12  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  12  12 o 165.468 2.3753 1353.12  38.794  1328.81  57.076  1374.00  52.889  163.837 3.5295 166.643 3.2155 -2.805954      4.774554  
1 1 1 13  12  13 o 127.519 2.0202 803.346  25.427  788.804  36.297  817.358  35.630  126.289 2.9119 128.564 2.8078 -2.275139      4.045098  
1 1 1 13  12  14 o 89.464  1.6837 395.293  14.868  378.115  21.361  411.438  20.708  87.461  2.4744 91.243  2.2993 -3.782600      3.377804  
1 1 1 13  12  15 o 57.263  6.0887 165.242  33.886  179.708  47.887  150.733  47.957  59.217  8.4309 53.906  9.3522 5.310577       12.59145  
1 1 1 13  12  16 o 62.223  6.0449 194.829  36.657  209.558  51.797  180.049  51.886  64.008  8.4014 59.042  9.2034 4.965679       12.46141  
1 1 1 13  12  17 o 90.987  1.9616 409.043  17.616  421.089  26.266  399.195  23.750  92.254  2.8846 89.840  2.6783 2.414726       3.936214  
1 1 1 13  12  18 o 68.808  2.1570 234.012  14.650  241.047  21.920  228.334  19.694  69.771  3.1830 67.923  2.9374 1.848030       4.331271  
1 1 1 13  12  19 o 89.468  1.8415 395.527  16.262  401.762  23.374  389.677  22.639  90.113  2.6279 88.751  2.5843 1.361946       3.685748  
1 1 1 13  12  20 o 73.609  1.6573 267.712  12.041  278.915  17.244  257.051  16.821  75.091  2.3266 72.085  2.3641 3.005913       3.316959  
1 1 1 13  12  21 o 76.246  2.1464 287.565  16.154  296.721  24.107  280.105  21.762  77.347  3.1577 75.175  2.9328 2.171211       4.309584  
1 1 1 13  12  22 o 46.488  6.4775 111.271  28.915  109.951  40.460  112.649  41.338  45.282  9.3615 45.816  9.4548 -0.5334473     13.30533  
1 1 1 13  12  23 o 73.920  2.2145 270.624  16.158  282.005  24.035  261.240  21.825  75.308  3.2335 72.512  3.0494 2.795517       4.444588  
1 1 1 13  12  24 o 76.315  6.2644 298.503  46.771  291.514  65.779  305.649  66.516  73.861  9.2238 75.738  9.0786 -1.877457      12.94220  
1 1 1 13  12  25 o 21.312  1.7725 22.632   3.6947  17.572   21.305  22.789   3.7515  20.662  7.7390 21.383  1.7940 -0.7211781     7.944191  
1 1 1 13  12  26 o 18.192  1.6378 16.509   2.9092  22.494   4.2474  11.219   3.9929  21.206  2.0551 14.774  2.8414 6.431866       3.506662  
1 1 1 13  13  0  o 18.898  2.7879 18.056   5.0442  14.425   8.8983  19.775   6.1230  16.891  4.9909 19.720  3.2597 -2.828920      5.961046  
1 1 1 13  13  1  o 48.300  2.1135 115.304  10.076  113.755  39.902  115.410  10.414  46.652  8.9914 48.320  2.1834 -1.667675      9.252708  
1 1 1 13  13  2  o 208.720 2.7554 2154.85  56.766  2177.38  77.247  2128.40  83.698  209.610 3.7337 207.152 4.0935 2.457520       5.540492  
1 1 1 13  13  3  o 87.485  6.0674 383.356  52.069  382.938  73.689  383.773  73.583  86.766  8.7226 86.868  8.6989 -0.1021347     12.31887  
1 1 1 13  13  4  o 49.571  6.0656 124.223  29.059  129.919  41.182  118.575  41.009  50.146  8.6317 47.762  9.0296 2.384037       12.49164  
1 1 1 13  13  5  o 99.559  1.7574 489.568  17.270  501.129  24.834  478.742  24.031  100.687 2.4989 98.414  2.4739 2.273132       3.516335  
1 1 1 13  13  6  o 69.839  1.2839 240.812  8.8507  238.870  12.241  242.940  12.812  69.543  1.7833 70.131  1.8508 -0.5878220     2.570199  
1 1 1 13  13  7  o 49.189  1.3162 119.460  6.3904  124.271  9.0188  114.609  9.0560  50.160  1.8216 48.168  1.9048 1.991234       2.635626  
1 1 1 13  13  8  o 38.352  1.3890 72.624   5.2580  46.263   11.599  79.442   5.8990  30.301  3.9738 40.110  1.4900 -9.808672      4.243968  
1 1 1 13  13  9  o 254.298 3.5965 3201.81  90.273  3016.44  133.507 3357.95  122.529 246.297 5.4918 260.104 4.7726 -13.80782      7.275822  
1 1 1 13  13  10 o 95.456  1.6833 450.010  15.860  469.721  22.842  431.659  22.039  97.490  2.3738 93.455  2.3892 4.034157       3.367964  
1 1 1 13  13  11 o 71.111  1.4990 249.706  10.521  261.222  14.884  238.206  14.874  72.713  2.0739 69.432  2.1704 3.280884       3.001920  
1 1 1 13  13  12 o 164.956 3.9735 1348.45  64.696  1331.43  71.311  1427.66  153.813 163.833 4.4098 167.939 9.3157 -4.106064      10.30669  
1 1 1 13  13  13 o 138.993 2.1521 954.619  29.525  916.847  42.078  991.251  41.439  136.120 3.1318 141.555 2.9658 -5.434784      4.313282  
1 1 1 13  13  14 f 85.595  1.7509 361.886  14.793  338.875  21.270  383.444  20.587  82.786  2.6030 88.077  2.3681 -5.290161      3.519005  
1 1 1 13  13  15 o 103.951 6.1623 540.976  62.945  523.368  88.877  558.695  89.157  101.436 8.9695 104.921 8.6873 -3.485786      12.48682  
1 1 1 13  13  16 o 44.661  6.1148 101.342  26.247  77.987   36.896  125.270  37.346  38.470  9.7148 49.325  7.9405 -10.85493      12.54703  
1 1 1 13  13  17 o 148.379 2.2424 1088.32  32.841  1058.22  46.977  1117.09  45.929  146.181 3.2558 150.216 3.0977 -4.035339      4.493991  
1 1 1 13  13  18 o 130.132 2.2144 837.191  28.443  817.543  40.648  856.039  39.813  128.475 3.2054 131.485 3.0677 -3.009918      4.436848  
1 1 1 13  13  19 o 36.940  1.5941 67.412   5.8123  70.887   6.5120  53.798   12.889  37.877  1.7418 32.660  4.0880 5.217262       4.443574  
1 1 1 13  13  20 o 38.481  1.3783 73.142   5.2349  62.540   7.4569  83.444   7.3509  35.497  2.1383 41.089  1.8125 -5.591419      2.803110  
1 1 1 13  13  21 o 27.719  1.1917 37.949   3.2605  7.5669   14.552  39.555   3.3455  15.977  6.2879 28.300  1.1977 -12.32240      6.401000  
1 1 1 13  13  22 o 126.479 2.1654 791.856  27.033  795.180  38.507  788.626  37.959  126.549 3.0828 126.034 3.0513 0.5147552      4.337565  
1 1 1 13  13  23 o 45.866  1.9587 104.124  8.8674  104.041  9.0821  105.828  41.020  45.844  2.0071 43.998  9.7062 1.846317       9.911558  
1 1 1 13  13  24 o 25.632  6.8200 34.913   17.557  16.918   23.937  55.865   25.829  21.164  8.1391 32.134  8.1355 -10.96926      11.50788  
1 1 1 13  13  25 o 73.399  1.7767 266.666  12.872  277.504  18.414  256.309  18.001  74.769  2.4951 71.850  2.5382 2.919373       3.559205  
1 1 1 13  13  26 o 16.938  5.8095 13.599   11.713  20.441   15.169  3.4949   18.434  20.173  6.6065 16.257  6.8169 3.916012       9.492987  
1 1 1 13  14  0  o 77.221  1.6133 294.643  12.297  282.487  18.022  305.233  16.821  75.555  2.4166 78.558  2.1693 -3.003639      3.247448  
1 1 1 13  14  1  o 167.113 2.4733 1381.64  40.797  1367.14  55.495  1398.70  60.179  166.054 3.3859 167.902 3.6313 -1.847656      4.964903  
1 1 1 13  14  2  o 113.433 3.1586 637.273  35.364  572.809  95.521  647.513  38.070  105.767 9.2428 114.312 3.3741 -8.545380      9.839383  
1 1 1 13  14  3  o 58.096  6.1361 170.394  34.654  170.830  48.973  169.958  49.043  57.478  8.9214 57.316  8.9626 0.1617966      12.64592  
1 1 1 13  14  4  o 74.570  6.0931 279.262  44.455  277.382  62.712  281.162  63.028  73.633  8.8032 74.146  8.7829 -0.5123367     12.43526  
1 1 1 13  14  5  o 136.859 1.9028 925.329  25.704  906.905  35.631  945.320  37.115  135.422 2.6657 138.255 2.7198 -2.832626      3.808306  
1 1 1 13  14  6  o 95.516  1.7906 450.650  16.882  472.786  24.379  430.259  23.399  97.790  2.5258 93.288  2.5412 4.502777       3.582932  
1 1 1 13  14  7  o 158.681 2.0695 1244.11  32.414  1249.37  46.151  1238.99  45.536  158.921 2.9422 158.263 2.9150 0.6581116      4.141685  
1 1 1 13  14  8  o 85.715  1.7458 362.894  14.771  375.038  21.356  351.757  20.451  87.101  2.4840 84.356  2.4562 2.745277       3.493352  
1 1 1 13  14  9  f 160.221 2.1892 1268.55  34.621  1242.04  48.473  1296.15  49.465  158.435 3.0996 161.850 3.0964 -3.414886      4.381250  
1 1 1 13  14  10 o 171.352 2.5898 1451.70  43.801  1419.83  71.707  1470.67  55.321  169.191 4.2939 172.377 3.2515 -3.186722      5.386066  
1 1 1 13  14  11 o 77.466  1.6866 296.394  12.896  335.726  19.249  264.365  17.370  82.415  2.3663 73.131  2.4064 9.283546       3.374957  
1 1 1 13  14  12 o 94.342  1.8450 439.670  17.180  437.908  25.143  441.214  23.531  94.100  2.7070 94.468  2.5236 -0.3673859     3.700850  
1 1 1 13  14  13 o 95.426  1.9771 449.916  18.622  451.923  19.235  419.899  74.377  95.636  2.0377 90.957  8.3788 4.678429       8.623007  
1 1 1 13  14  14 o 45.833  6.1977 106.701  27.319  106.985  38.454  106.413  38.818  45.279  8.9215 45.131  9.0293 0.1480103      12.69337  
1 1 1 13  14  15 o 165.364 6.6362 1368.14  108.317 1343.45  153.096 1392.88  153.270 162.409 9.5930 165.469 9.4234 -3.059525      13.44716  
1 1 1 13  14  16 o 12.878  4.6336 6.9085   7.5144  5.9881   10.771  7.7812   10.488  13.958  5.4340 14.481  5.4287 -0.5225248     7.681060  
1 1 1 13  14  17 o 84.990  1.7760 356.882  14.899  351.799  21.480  361.594  20.682  84.331  2.5805 85.507  2.4506 -1.175652      3.558701  
1 1 1 13  14  18 o 132.037 2.1183 861.875  27.607  895.057  39.950  831.548  38.193  134.437 3.0107 129.583 2.9861 4.853561       4.240368  
1 1 1 13  14  19 o 28.936  1.5370 41.481   4.3742  50.113   6.2545  33.216   6.1198  31.775  2.0045 25.797  2.4322 5.978745       3.151731  
1 1 1 13  14  20 o 39.774  3.0593 78.896   11.918  68.935   17.555  87.414   16.233  36.831  4.9545 41.735  3.9891 -4.903809      6.360876  
1 1 1 13  14  21 o 62.196  1.6383 191.213  10.057  199.608  14.452  183.329  14.005  63.498  2.3059 60.852  2.3317 2.646442       3.279339  
1 1 1 13  14  22 o 55.452  1.4145 151.964  7.7420  145.728  10.990  158.106  10.908  54.260  2.0521 56.526  1.9551 -2.265064      2.834318  
1 1 1 13  14  23 o 15.813  5.8205 10.253   11.952  7.8437   16.206  13.126   17.699  16.579  6.6003 18.528  7.0285 -1.948847      9.641747  
1 1 1 13  14  24 o 83.385  2.5529 345.191  21.011  346.374  37.031  344.629  25.517  82.879  4.5441 83.198  3.1072 -0.3191528     5.504897  
1 1 1 13  14  25 o 54.881  2.7419 149.748  14.853  158.713  22.439  142.758  19.815  56.109  4.0796 53.277  3.7928 2.831680       5.570321  
1 1 1 13  14  26 o 41.729  1.8438 86.262   7.5941  88.968   8.3507  73.331   18.257  42.364  1.9971 37.715  5.0298 4.649155       5.411760  
1 1 1 13  15  0  o 62.861  1.6403 195.309  10.177  217.482  15.894  179.901  13.249  66.273  2.4298 60.292  2.2264 5.981197       3.295601  
1 1 1 13  15  1  o 49.427  1.6219 120.728  7.9127  130.656  11.667  112.271  10.768  51.386  2.3003 47.634  2.2902 3.751907       3.245962  
1 1 1 13  15  2  o 167.434 2.9104 1388.67  48.098  1295.40  93.951  1421.80  55.991  160.782 5.9201 169.317 3.3503 -8.535019      6.802374  
1 1 1 13  15  3  o 59.780  6.2535 180.915  36.352  186.700  51.456  175.152  51.364  59.974  8.9678 57.951  9.2939 2.023056       12.91502  
1 1 1 13  15  4  o 83.576  7.0947 353.247  57.973  362.061  100.175 348.809  71.086  82.532  12.705 82.493  8.8698 0.3945160E-01  15.49446  
1 1 1 13  15  5  o 150.814 2.0791 1124.10  30.949  1154.08  44.486  1095.98  43.085  152.701 2.9516 148.811 2.9333 3.890671       4.161247  
1 1 1 13  15  6  o 81.507  1.6296 328.135  13.110  324.286  18.762  331.808  18.327  80.991  2.3470 81.930  2.2663 -0.9386444     3.262597  
1 1 1 13  15  7  o 32.024  1.1043 50.630   3.4905  28.542   12.061  52.649   3.6466  23.487  5.3253 32.656  1.1313 -9.168484      5.444192  
1 1 1 13  15  8  o 112.036 1.9559 620.183  21.629  638.855  30.728  601.846  30.450  113.648 2.7393 110.302 2.7969 3.346146       3.914899  
1 1 1 13  15  9  o 75.833  1.7417 284.066  13.037  280.225  17.304  289.107  19.826  75.292  2.3284 76.459  2.6271 -1.167061      3.510408  
1 1 1 13  15  10 o 111.535 1.9726 614.658  21.716  629.481  31.762  601.646  29.759  112.800 2.8527 110.289 2.7337 2.511185       3.951090  
1 1 1 13  15  11 o 22.366  1.1890 24.767   2.6154  16.202   3.7339  33.017   3.6644  17.979  2.1465 25.817  1.4438 -7.837425      2.586917  
1 1 1 13  15  12 o 66.993  1.6480 221.681  10.897  196.259  17.810  236.893  13.777  62.981  2.8649 69.239  2.0159 -6.257736      3.503101  
1 1 1 13  15  13 o 110.954 2.5837 608.850  28.296  568.269  40.663  646.946  39.399  107.055 3.8482 114.273 3.4931 -7.217804      5.197144  
1 1 1 13  15  14 o 111.453 6.2256 622.686  68.213  610.324  96.447  635.059  96.490  109.417 9.0105 111.698 8.8237 -2.280777      12.61137  
1 1 1 13  15  15 o 24.467  1.0970 29.556   2.6493  27.729   3.8375  31.219   3.6620  23.635  1.6554 25.098  1.4849 -1.462711      2.223793  
1 1 1 13  15  16 o 69.903  1.9303 241.482  13.318  255.879  19.883  229.767  17.936  71.903  2.8016 68.145  2.6667 3.758430       3.867848  
1 1 1 13  15  17 o 37.914  3.2885 71.770   12.185  81.763   18.759  64.477   16.026  40.242  4.8186 35.700  4.6589 4.541317       6.702583  
1 1 1 13  15  18 o 158.044 2.5446 1236.12  39.695  1208.85  56.281  1263.12  55.994  156.061 3.6537 159.550 3.5556 -3.488724      5.098197  
1 1 1 13  15  19 o 99.828  2.1637 492.934  21.320  482.509  30.888  502.419  29.464  98.639  3.1725 100.684 2.9648 -2.045464      4.342241  
1 1 1 13  15  20 o 28.107  4.2480 40.237   11.417  42.292   17.039  38.563   15.381  28.434  6.2423 27.185  5.9015 1.249689       8.590378  
1 1 1 13  15  21 o 20.544  1.3765 20.948   2.7751  13.579   3.9916  27.843   3.8608  16.360  2.5555 23.673  1.6628 -7.313251      3.048878  
1 1 1 13  15  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  15  23 o 25.384  6.7099 34.241   17.067  30.735   23.535  38.129   24.785  24.683  8.2362 26.917  8.4075 -2.234640      11.76950  
1 1 1 13  15  24 o 85.041  2.5858 359.235  21.704  424.218  77.098  353.642  22.619  89.008  8.8948 84.348  2.7169 4.659821       9.300479  
1 1 1 13  15  25 o 65.853  1.2736 214.383  8.2780  222.112  11.731  206.717  11.683  66.975  1.7745 64.606  1.8322 2.369843       2.550606  
1 1 1 13  15  26 o 58.703  2.1422 171.002  12.413  208.328  26.268  160.272  14.084  64.182  4.1692 56.773  2.5134 7.408398       4.868155  
1 1 1 13  16  0  o 87.022  1.6482 374.400  14.157  399.821  21.862  356.042  18.579  89.829  2.4657 84.800  2.2197 5.028595       3.317615  
1 1 1 13  16  1  o 59.619  1.7253 175.738  10.153  183.938  16.546  170.785  12.858  60.909  2.7521 58.739  2.2178 2.170815       3.534544  
1 1 1 13  16  2  o 53.622  6.2710 146.783  32.563  152.307  46.067  141.265  46.036  53.742  9.0028 51.575  9.3892 2.166695       13.00797  
1 1 1 13  16  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  16  4  o 82.988  6.1358 347.276  49.904  354.922  70.648  339.661  70.501  83.008  8.7547 81.108  8.9558 1.900414       12.52406  
1 1 1 13  16  5  o 55.428  1.4841 151.758  8.1193  159.674  10.215  138.173  13.381  56.843  1.8206 52.843  2.5655 3.999977       3.145846  
1 1 1 13  16  6  o 102.462 1.7858 518.737  18.061  498.958  25.878  537.519  25.218  100.422 2.6108 104.246 2.4508 -3.823929      3.580879  
1 1 1 13  16  7  o 234.688 2.8672 2726.16  66.417  2741.51  94.300  2711.04  93.560  235.003 4.0654 233.697 4.0561 1.306534       5.742743  
1 1 1 13  16  8  o 114.362 1.8623 646.226  21.021  636.422  30.234  655.400  29.247  113.417 2.7008 115.108 2.5742 -1.691803      3.731054  
1 1 1 13  16  9  o 47.963  1.5241 113.621  7.2152  119.934  8.4097  96.012   14.045  49.272  1.7292 43.908  3.2641 5.363575       3.693821  
1 1 1 13  16  10 o 62.869  1.5164 195.214  9.4100  187.116  11.525  211.407  16.298  61.538  1.8975 65.379  2.5255 -3.841858      3.158894  
1 1 1 13  16  11 o 82.960  1.7320 340.001  14.182  318.834  21.862  355.380  18.635  80.273  2.7593 84.787  2.2267 -4.514000      3.545700  
1 1 1 13  16  12 o 21.087  4.0773 22.813   8.1793  28.068   12.127  18.428   11.079  23.273  5.3858 19.043  5.5524 4.230371       7.735343  
1 1 1 13  16  13 f 52.474  7.1085 140.690  35.870  151.385  63.017  135.564  43.627  53.006  12.285 50.993  8.9968 2.013950       15.22681  
1 1 1 13  16  14 o 18.749  5.8981 17.371   12.173  6.7659   17.152  28.136   17.280  16.816  6.7575 23.491  6.9586 -6.674385      9.699775  
1 1 1 13  16  15 o 55.706  2.3721 153.480  13.043  157.959  19.171  149.621  17.796  56.340  3.4643 54.848  3.3026 1.491814       4.786248  
1 1 1 13  16  16 o 91.185  1.8070 410.891  16.263  413.794  23.405  408.181  22.614  91.442  2.5932 90.826  2.5225 0.6156235      3.617714  
1 1 1 13  16  17 o 117.191 2.1736 679.204  25.143  675.736  36.444  682.354  34.733  116.756 3.1624 117.352 2.9986 -0.5964584     4.357981  
1 1 1 13  16  18 o 52.460  2.7094 136.667  13.981  130.079  20.673  142.221  18.981  50.962  4.1457 53.391  3.6232 -2.428856      5.505848  
1 1 1 13  16  19 o 85.591  2.1263 362.446  17.963  358.562  26.336  365.825  24.564  85.007  3.1388 85.898  2.8972 -0.8910217     4.271514  
1 1 1 13  16  20 o 113.891 2.0935 641.920  23.535  644.744  33.635  639.212  32.941  113.978 2.9898 113.498 2.9405 0.4795532      4.193482  
1 1 1 13  16  21 f 41.300  3.4280 85.472   13.848  97.359   20.219  74.971   19.005  43.811  4.7519 38.280  5.1615 5.530949       7.015830  
1 1 1 13  16  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  16  23 f 47.815  2.9860 114.228  14.022  118.600  21.005  110.715  18.832  48.371  4.4494 46.812  4.1176 1.558617       6.062341  
1 1 1 13  16  24 o 78.026  2.4255 302.292  18.680  290.158  27.604  312.543  25.372  76.145  3.6728 79.147  3.2478 -3.001945      4.902821  
1 1 1 13  16  25 o 49.458  4.9241 125.147  23.718  133.310  46.099  122.208  27.660  48.652  9.9356 48.502  5.8993 0.1505661      11.55496  
1 1 1 13  16  26 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  17  0  o 135.265 1.9696 905.497  26.296  932.657  38.462  881.659  36.032  137.071 2.8429 133.299 2.7386 3.772400       3.947401  
1 1 1 13  17  1  o 106.576 1.7374 561.745  18.277  580.826  26.675  544.861  25.093  108.249 2.4966 104.857 2.4245 3.391930       3.480055  
1 1 1 13  17  2  o 33.899  6.8535 60.420   22.143  69.092   31.290  51.720   31.340  35.811  8.8929 31.218  9.3994 4.592768       12.93955  
1 1 1 13  17  3  o 85.549  6.2251 371.524  52.204  370.878  73.924  372.168  73.733  84.209  9.0350 84.379  8.9916 -0.1698303     12.74681  
1 1 1 13  17  4  o 43.247  2.0895 92.524   8.9191  89.564   13.032  95.133   12.233  42.372  3.1382 43.716  2.8507 -1.344261      4.239731  
1 1 1 13  17  5  o 38.555  3.0982 74.182   11.691  73.906   12.438  76.268   34.233  38.453  3.3094 37.788  9.2524 0.6648903      9.826450  
1 1 1 13  17  6  o 153.400 2.1651 1163.84  32.782  1192.04  46.947  1137.01  45.795  155.078 3.0670 151.458 3.0633 3.620850       4.334831  
1 1 1 13  17  7  o 62.477  1.9147 192.947  11.807  195.172  17.445  191.067  16.039  62.779  2.8154 62.130  2.6155 0.6491928      3.842791  
1 1 1 13  17  8  o 57.168  1.5900 161.460  8.9720  146.059  16.526  167.896  10.684  54.207  3.1015 58.286  1.8570 -4.078804      3.614984  
1 1 1 13  17  9  o 39.269  1.4626 76.168   5.6690  80.246   6.2681  57.845   13.287  40.304  1.5756 33.888  4.0528 6.415604       4.348361  
1 1 1 13  17  10 o 150.143 2.2230 1114.70  32.943  1130.11  46.016  1098.49  47.184  151.041 3.0866 148.890 3.2107 2.150406       4.453696  
1 1 1 13  17  11 o 116.963 1.9815 676.198  22.876  693.673  33.034  660.096  31.710  118.370 2.8274 115.476 2.7821 2.894585       3.966643  
1 1 1 13  17  12 o 160.437 6.6368 1292.62  105.099 1255.37  148.612 1329.89  148.652 156.332 9.6786 161.104 9.3889 -4.772446      13.48435  
1 1 1 13  17  13 f 65.819  6.0167 218.677  38.656  194.081  54.258  244.029  55.086  61.022  9.3026 68.915  8.2631 -7.893028      12.44255  
1 1 1 13  17  14 o 110.248 1.8847 600.758  20.509  592.409  29.213  608.872  28.799  109.393 2.7056 110.911 2.6306 -1.518913      3.773660  
1 1 1 13  17  15 f 131.954 2.4289 861.554  31.635  869.270  54.391  857.609  38.889  132.207 4.1681 131.562 2.9948 0.6456909      5.132388  
1 1 1 13  17  16 o 111.714 1.9954 617.070  22.003  624.672  31.596  609.913  30.658  112.289 2.8508 110.963 2.7992 1.326813       3.995270  
1 1 1 13  17  17 o 59.154  1.5452 172.905  9.0220  169.745  12.871  175.958  12.650  58.572  2.2264 59.640  2.1488 -1.067451      3.094230  
1 1 1 13  17  18 o 151.927 2.3521 1142.72  35.271  1135.14  50.598  1149.89  49.193  151.166 3.3911 152.178 3.2751 -1.011948      4.714410  
1 1 1 13  17  19 o 98.411  2.0050 479.192  19.475  467.960  27.818  489.991  27.275  97.115  2.9020 99.397  2.7801 -2.281670      4.018780  
1 1 1 13  17  20 f 47.132  1.3675 109.781  6.3618  122.529  9.0965  97.576   8.9005  49.765  1.8519 44.399  2.0310 5.366615       2.748540  
1 1 1 13  17  21 o 109.638 6.3354 615.010  68.268  597.968  96.362  632.182  96.729  105.976 9.3065 109.190 9.0568 -3.214233      12.98603  
1 1 1 13  17  22 o 39.646  7.0440 83.305   26.555  79.631   51.446  84.639   31.005  37.484  12.161 39.531  8.2144 -2.046547      14.67568  
1 1 1 13  17  23 o 54.020  2.8467 145.631  15.125  157.253  22.929  136.679  20.124  55.786  4.1948 52.060  3.9455 3.725990       5.758787  
1 1 1 13  17  24 o 48.757  3.1605 119.112  15.128  119.087  23.769  119.129  19.613  48.190  5.0734 48.502  4.1363 -0.3123741     6.545856  
1 1 1 13  17  25 o 73.407  2.8133 268.533  20.384  294.335  36.065  256.422  24.709  75.999  4.8329 71.543  3.4990 4.455528       5.966566  
1 1 1 13  18  0  f 103.595 2.1950 531.766  22.444  574.845  29.946  476.554  33.902  107.569 2.8204 97.764  3.5132 9.804863       4.505293  
1 1 1 13  18  1  o 20.287  4.7071 21.468   9.2431  17.320   11.610  28.648   15.274  18.514  5.7497 23.349  6.4254 -4.834951      8.622295  
1 1 1 13  18  2  o 34.194  6.7405 61.571   21.941  54.590   30.555  69.004   31.528  31.836  9.2033 35.658  8.9667 -3.821894      12.84926  
1 1 1 13  18  3  f 28.204  6.9780 42.198   19.319  33.910   27.466  50.313   27.178  26.184  8.8968 30.648  8.6220 -4.463179      12.38922  
1 1 1 13  18  4  f 26.010  3.1553 34.099   7.9348  40.785   12.309  29.346   10.379  28.199  4.5796 23.828  4.5795 4.371655       6.476439  
1 1 1 13  18  5  o 56.479  1.8793 157.778  10.477  155.236  15.517  159.907  14.202  55.873  2.8228 56.807  2.5329 -0.9334183     3.792658  
1 1 1 13  18  6  o 59.801  2.9430 177.384  17.372  177.384  17.372  0.0000   0.0000  59.801  2.9430 ?       ?      0.000000       2.943018  
1 1 1 13  18  7  o 15.563  1.5638 12.089   2.3697  12.355   2.4376  7.5133   10.113  15.731  1.5918 14.183  5.3279 1.548278       5.560623  
1 1 1 13  18  8  o 126.076 1.9658 786.018  24.463  839.536  35.167  735.838  34.053  130.176 2.7369 121.855 2.8312 8.320862       3.937855  
1 1 1 13  18  9  o 56.278  1.6823 156.526  9.3448  176.997  17.488  148.346  11.055  59.757  2.9650 54.769  2.0451 4.987591       3.601901  
1 1 1 13  18  10 o 53.099  1.5885 139.315  8.3253  136.422  9.8764  146.418  15.475  52.530  1.9048 54.282  2.8988 -1.751556      3.468600  
1 1 1 13  18  11 o 116.723 7.2995 691.967  83.675  690.993  145.228 692.452  102.376 113.098 13.261 115.911 9.0193 -2.813568      16.03773  
1 1 1 13  18  12 o 24.046  7.2667 29.534   18.706  24.845   31.147  32.180   23.395  24.938  9.3538 25.405  8.1968 -0.4671059     12.43713  
1 1 1 13  18  13 o 31.956  1.1638 50.432   3.6709  31.580   5.2188  68.893   5.1644  25.180  2.1195 37.345  1.4011 -12.16479      2.540758  
1 1 1 13  18  14 o 49.766  1.3740 122.347  6.7494  132.815  9.6218  112.205  9.4701  51.830  1.8808 47.633  2.0143 4.197193       2.755826  
1 1 1 13  18  15 f 80.667  2.0549 321.862  16.362  345.543  22.146  293.403  24.278  83.515  2.6866 76.895  3.1987 6.620033       4.177280  
1 1 1 13  18  16 o 46.481  4.3776 108.703  19.847  0.0000   0.0000  108.703  19.847  ?       ?      46.481  4.3776 0.000000       4.377619  
1 1 1 13  18  17 o 92.221  2.2735 421.058  20.694  415.069  29.841  426.606  28.723  91.401  3.3078 92.693  3.1394 -1.292336      4.560391  
1 1 1 13  18  18 o 111.681 2.2474 617.647  24.774  656.166  36.168  583.601  34.003  114.912 3.1888 108.375 3.1788 6.537872       4.502540  
1 1 1 13  18  19 o 30.800  1.2880 46.876   3.9158  56.165   6.7221  42.105   4.8175  33.622  2.0352 29.130  1.6827 4.492054       2.640738  
1 1 1 13  18  20 o 26.177  7.2824 36.429   19.502  27.868   26.804  46.059   28.428  24.438  8.7557 29.365  8.9768 -4.927259      12.53973  
1 1 1 13  18  21 o 111.289 6.4747 637.667  70.814  602.241  99.982  673.328  100.312 105.473 9.7130 112.112 9.1446 -6.639420      13.34041  
1 1 1 13  18  22 o 78.008  1.9733 301.558  15.194  312.418  21.718  291.148  21.264  79.241  2.7768 76.487  2.8165 2.753922       3.955192  
1 1 1 13  18  23 o 89.343  2.0417 395.807  18.005  412.238  25.753  380.096  25.182  90.969  2.8681 87.336  2.9212 3.633514       4.093858  
1 1 1 13  18  24 o 43.746  1.5801 94.736   6.8225  80.222   9.7248  108.803  9.5740  40.094  2.4694 46.831  2.0712 -6.736828      3.223030  
1 1 1 13  18  25 o 21.319  1.0500 22.465   2.2095  20.473   3.2122  24.253   3.0438  20.267  1.6193 22.094  1.4030 -1.826757      2.142550  
1 1 1 13  19  1  o 73.995  1.7929 271.010  13.095  279.515  20.883  265.500  16.810  74.984  2.8216 73.165  2.3277 1.819298       3.657807  
1 1 1 13  19  2  o 51.932  7.7603 142.460  38.558  134.373  69.244  146.095  46.421  47.581  13.884 51.845  9.4184 -4.263401      16.77678  
1 1 1 13  19  3  o 23.577  4.0450 28.553   9.0743  22.268   12.392  35.821   13.325  20.668  5.8246 26.188  5.3360 -5.520021      7.899338  
1 1 1 13  19  4  o 76.945  1.8885 293.030  14.343  309.056  21.167  279.425  19.503  78.901  2.7180 75.037  2.6332 3.863960       3.784359  
1 1 1 13  19  5  o 36.130  2.5878 65.084   9.1673  70.464   13.713  60.736   12.326  37.398  3.7662 34.716  3.6520 2.681969       5.246079  
1 1 1 13  19  6  o 36.737  2.5879 67.262   9.3240  75.083   14.309  61.491   12.292  38.619  3.8031 34.949  3.6156 3.669926       5.247509  
1 1 1 13  19  7  o 51.245  1.9041 129.927  9.6309  130.127  9.8695  125.936  44.066  51.281  1.9499 48.277  9.5857 3.004303       9.782039  
1 1 1 13  19  8  o 60.846  1.6697 183.043  10.028  189.022  12.678  173.053  16.388  61.800  2.0784 59.063  2.8111 2.737068       3.495980  
1 1 1 13  19  9  o 22.344  4.3601 25.766   9.2706  29.848   14.990  23.238   11.797  23.869  6.2785 21.118  5.5770 2.751621       8.397755  
1 1 1 13  19  10 o 85.540  2.1096 362.092  17.811  337.134  30.483  375.030  21.948  82.300  3.7525 87.000  2.5559 -4.700462      4.540265  
1 1 1 13  19  11 o 82.498  6.2224 345.470  50.295  327.443  71.216  363.408  71.040  78.971  9.3159 83.529  8.7462 -4.558060      12.77819  
1 1 1 13  19  12 o 31.342  1.4149 48.536   4.3770  49.690   4.5505  34.264   16.002  31.711  1.4538 25.549  6.3681 6.161980       6.531909  
1 1 1 13  19  13 o 55.300  1.8923 151.252  10.329  179.671  22.102  143.311  11.683  59.967  3.7530 53.809  2.1998 6.158710       4.350143  
1 1 1 13  19  14 o 67.565  1.6675 225.683  11.121  216.126  16.020  234.572  15.449  66.052  2.4572 68.831  2.2740 -2.779465      3.347957  
1 1 1 13  19  15 o 81.417  1.4975 327.619  12.034  323.109  17.030  332.115  17.007  80.794  2.1356 81.916  2.1034 -1.121872      2.997486  
1 1 1 13  19  16 o 40.456  3.1717 81.826   12.564  78.406   18.847  84.562   16.856  39.226  4.9799 40.930  4.2334 -1.703949      6.536117  
1 1 1 13  19  17 o 101.796 2.8450 514.489  28.586  650.824  93.544  500.446  30.022  111.558 8.5606 100.357 3.0308 11.20100       9.081314  
1 1 1 13  19  18 o 66.982  2.4300 222.487  16.065  219.471  23.853  224.991  21.735  66.227  3.6631 67.227  3.2755 -0.9993362     4.914007  
1 1 1 13  19  19 o 49.637  4.7897 125.178  23.175  123.103  26.927  131.106  45.515  48.939  5.6801 48.777  9.7939 0.1611938      11.32186  
1 1 1 13  19  20 o 18.597  6.6145 15.746   15.270  17.605   22.618  14.189   20.700  20.923  7.9435 19.573  7.5572 1.349993       10.96405  
1 1 1 13  19  21 o 55.533  2.0315 152.881  11.135  156.178  35.785  152.527  11.717  54.543  6.7943 55.455  2.1406 -0.9116249     7.123496  
1 1 1 13  19  22 o 98.451  2.3521 481.458  22.856  485.462  28.392  474.086  38.528  98.689  2.9147 97.094  4.0202 1.595062       4.965625  
1 1 1 13  19  23 o 14.204  1.1634 10.040   1.6168  23.085   2.9531  4.4562   1.9321  21.557  1.3954 9.2916  2.1495 12.26533       2.562677  
1 1 1 13  19  24 o 33.352  1.5756 55.082   5.1870  53.639   7.3388  56.522   7.3321  32.774  2.2829 33.658  2.2195 -0.8837013     3.183991  
1 1 1 13  19  25 o 41.676  7.3513 94.868   29.135  95.308   40.420  94.392   42.033  40.142  10.185 39.732  10.543 0.4107780      14.65945  
1 1 1 13  20  3  o 86.780  1.8618 372.883  15.948  402.938  23.879  348.682  21.427  90.050  2.6865 83.789  2.5909 6.261841       3.732288  
1 1 1 13  20  4  o 24.397  3.6489 30.359   8.5172  30.726   12.934  30.079   11.318  24.157  5.5420 24.005  4.9413 0.1518021      7.424985  
1 1 1 13  20  5  o 107.776 1.9322 575.148  20.555  616.622  30.248  539.564  28.018  111.407 2.7507 104.220 2.7236 7.186630       3.871008  
1 1 1 13  20  6  o 36.042  2.7107 64.878   9.5726  74.367   15.000  58.358   12.434  38.347  4.0229 33.976  3.7713 4.371113       5.514168  
1 1 1 13  20  7  o 11.326  4.5170 3.3439   7.6023  0.7092   11.944  5.1380   9.8564  12.816  5.4366 13.143  5.1742 -0.3272104     7.505246  
1 1 1 13  20  8  f 24.873  5.3088 32.372   12.636  32.747   14.209  30.955   27.631  24.926  5.8721 25.362  8.9101 -0.4362850     10.67105  
1 1 1 13  20  9  o 38.395  2.7635 73.568   10.403  82.010   15.874  67.214   13.772  40.308  4.0444 36.487  3.8839 3.821594       5.607282  
1 1 1 13  20  10 o 26.136  9.7314 29.820   33.590  29.820   33.590  0.0000   0.0000  26.136  9.7314 ?       ?      0.000000       9.731394  
1 1 1 13  20  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  20  12 o 47.630  3.6902 113.766  17.213  114.100  33.279  113.645  20.112  46.595  7.4897 47.460  4.3415 -0.8651276     8.657008  
1 1 1 13  20  13 o 24.728  1.2223 30.211   2.9832  29.880   4.3308  30.509   4.1153  24.510  1.8028 24.779  1.6927 -0.2694759     2.472946  
1 1 1 13  20  14 o 42.533  1.0873 89.362   4.5646  90.502   7.8052  88.770   5.6272  42.766  1.8491 42.381  1.3452 0.3846626      2.286621  
1 1 1 13  20  15 o 52.454  1.9892 136.223  10.299  134.041  11.299  146.935  25.034  52.013  2.2009 53.873  4.7567 -1.860123      5.241258  
1 1 1 13  20  16 o 34.247  3.6690 59.193   12.209  66.945   18.459  53.164   16.279  36.029  5.3534 32.035  5.3360 3.993576       7.558552  
1 1 1 13  20  17 o 42.941  1.5394 91.199   6.5247  102.272  9.3220  80.565   9.1355  45.433  2.0788 40.240  2.3097 5.192657       3.107438  
1 1 1 13  20  18 o 47.240  4.9915 113.991  22.922  162.952  47.225  98.901   26.217  54.737  9.0576 43.533  6.2833 11.20425       11.02363  
1 1 1 13  20  19 o 42.837  6.9297 97.204   28.300  89.641   39.598  105.100  40.459  39.792  10.073 43.311  9.7048 -3.519379      13.98722  
1 1 1 13  20  20 o 65.391  2.5132 212.554  16.221  208.460  23.954  216.021  22.045  64.358  3.7875 65.637  3.4144 -1.278885      5.099363  
1 1 1 13  20  21 o 100.965 1.9090 505.333  19.024  528.027  29.021  488.233  25.191  102.924 2.8567 99.061  2.5764 3.862793       3.846873  
1 1 1 13  20  22 o 48.356  1.6231 115.794  7.7468  134.783  10.800  95.666   11.119  52.112  2.0996 43.765  2.5854 8.346775       3.330548  
1 1 1 13  20  23 o 15.066  1.4729 11.342   2.1623  21.252   3.2624  3.5771   2.8876  20.652  1.6133 8.6881  2.8843 11.96386       3.304819  
1 1 1 13  20  24 o 37.711  2.0236 70.825   7.5048  100.769  21.081  66.479   8.0309  44.129  4.9237 36.494  2.2403 7.634998       5.409435  
1 1 1 13  21  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  21  5  o 68.174  1.9739 230.283  13.282  237.214  20.968  225.638  17.165  68.997  3.0789 67.388  2.5807 1.608513       4.017383  
1 1 1 13  21  6  o 78.573  1.9003 305.768  14.738  311.788  22.130  300.970  19.756  79.171  2.8320 77.839  2.5714 1.331902       3.825210  
1 1 1 13  21  7  o 46.376  2.3784 107.001  10.850  124.798  17.476  95.838   13.842  49.854  3.5752 43.730  3.2296 6.123852       4.817945  
1 1 1 13  21  8  o 67.981  2.0503 229.007  13.757  254.426  22.423  213.662  17.422  71.451  3.1795 65.567  2.6920 5.883331       4.166014  
1 1 1 13  21  9  o 33.131  7.2161 58.860   22.929  55.436   31.273  62.841   33.719  31.796  9.3454 33.691  9.6475 -1.895008      13.43175  
1 1 1 13  21  10 o 13.006  5.4411 1.9209   11.702  3.9280   17.103  0.1542   16.046  15.883  6.6056 14.580  6.2459 1.303117       9.090947  
1 1 1 13  21  11 o 37.927  3.3591 72.295   12.445  69.827   18.764  74.234   16.629  36.774  5.3244 38.170  4.5002 -1.395668      6.971449  
1 1 1 13  21  12 o 68.867  1.8731 234.842  12.732  239.657  16.015  226.569  20.991  69.506  2.3344 67.439  3.1535 2.067566       3.923468  
1 1 1 13  21  13 o 127.296 2.0582 802.950  25.861  788.974  36.107  817.669  37.056  125.931 2.9049 128.192 2.9286 -2.261230      4.124949  
1 1 1 13  21  14 o 19.654  2.4293 19.461   4.6124  18.637   4.7560  32.485   18.913  19.203  2.5740 24.754  7.2654 -5.550432      7.707877  
1 1 1 13  21  15 o 22.161  5.4505 25.922   11.840  33.501   18.374  20.540   15.483  25.064  7.1025 20.277  6.6763 4.786701       9.747715  
1 1 1 13  21  16 o 98.555  2.2601 481.930  21.986  481.785  32.861  482.048  29.582  98.214  3.3898 98.353  3.0473 -0.1392670     4.558111  
1 1 1 13  21  17 o 3.2775  1.5468 -1.5006  1.3076  6.1492   2.4442  -4.5679  1.5477  10.924  2.3375 2.6766  1.3432 8.247135       2.695964  
1 1 1 13  21  18 o 104.560 6.4853 567.776  66.601  571.766  95.003  563.921  93.393  102.060 9.5415 101.468 9.4330 0.5921707      13.41725  
1 1 1 13  21  19 o 17.894  6.6551 13.484   15.701  12.871   20.564  14.339   24.313  19.080  7.4857 20.424  8.0991 -1.344299      11.02864  
1 1 1 13  21  20 o 36.952  4.2525 69.799   15.227  64.475   23.154  73.857   20.214  34.521  7.0339 37.564  5.6250 -3.042400      9.006477  
1 1 1 13  21  21 o 94.896  2.3500 447.758  22.011  445.982  32.458  449.271  29.950  94.287  3.4877 94.755  3.2023 -0.4678192     4.734816  
1 1 1 13  21  22 o 62.484  2.0206 193.827  12.462  193.919  16.862  193.716  18.499  62.345  2.7401 62.243  3.0111 0.1023483      4.071247  
1 1 1 13  21  23 o 23.810  1.1671 28.038   2.7429  28.554   3.4280  27.121   4.5731  23.970  1.4558 23.283  2.0097 0.6869450      2.481556  
1 1 1 13  22  6  o 31.217  3.5796 49.428   10.830  52.779   16.945  47.113   14.082  31.692  5.6229 30.117  4.9061 1.575876       7.462336  
1 1 1 13  22  7  o 71.635  2.0263 254.428  14.327  257.465  21.319  251.927  19.348  71.862  3.0057 71.142  2.7553 0.7195587      4.077487  
1 1 1 13  22  8  o 81.343  6.3950 343.104  50.930  327.854  72.316  358.112  71.740  77.170  9.7091 81.172  9.1114 -4.002403      13.31479  
1 1 1 13  22  9  o 47.553  6.7981 119.200  30.999  105.114  42.927  134.552  44.814  42.988  10.259 49.162  9.5796 -6.173393      14.03657  
1 1 1 13  22  10 o 86.636  2.3694 372.707  20.261  387.466  25.188  345.652  34.103  88.202  2.8933 82.795  4.1867 5.406235       5.089118  
1 1 1 13  22  11 f 46.886  3.1546 110.167  14.514  106.746  26.130  111.694  17.454  45.268  5.9957 47.054  3.7901 -1.786674      7.093236  
1 1 1 13  22  12 o 42.426  3.1913 90.337   13.266  96.908   20.600  85.682   17.340  43.483  4.8842 41.018  4.3493 2.464691       6.539963  
1 1 1 13  22  13 o 61.467  2.5251 187.820  15.320  182.261  23.794  191.756  20.023  60.087  4.0353 61.868  3.2907 -1.780956      5.206933  
1 1 1 13  22  14 o 49.630  2.9484 123.207  14.378  120.037  22.274  125.472  18.827  48.485  4.7139 49.851  3.8561 -1.366848      6.090181  
1 1 1 13  22  15 o 35.500  3.7554 63.908   12.959  65.431   20.280  62.856   16.847  35.215  6.0527 34.836  5.0468 0.3794670      7.880660  
1 1 1 13  22  16 o 34.391  3.9497 60.222   13.164  52.630   20.220  65.808   17.343  31.253  6.7519 35.634  5.0742 -4.381165      8.446051  
1 1 1 13  22  17 o 30.429  7.8451 51.054   23.713  46.669   33.478  55.469   33.592  29.259  9.8230 31.394  9.7849 -2.134817      13.86489  
1 1 1 13  22  18 o 45.909  3.0325 105.721  13.664  109.618  20.556  102.636  18.290  46.293  4.5577 44.909  4.1738 1.383602       6.180119  
1 1 1 13  22  19 o 21.853  2.0392 23.905   4.3477  56.286   25.965  22.971   4.4099  31.741  8.2219 21.406  2.1148 10.33459       8.489506  
1 1 1 13  22  20 o 64.776  2.8063 209.440  17.942  209.440  17.942  0.0000   0.0000  64.776  2.8063 ?       ?      0.000000       2.806325  
1 1 1 13  22  21 o 72.258  2.8738 260.973  20.497  262.201  26.994  259.301  31.498  71.990  3.8124 71.248  4.5022 0.7424545      5.899517  
1 1 1 13  22  22 o 39.736  1.5605 78.243   6.1205  74.118   8.7668  82.166   8.5488  38.512  2.3171 40.592  2.1413 -2.079491      3.154954  
1 1 1 13  23  9  o 12.950  5.1558 4.7636   9.8891  -5.4250  14.613  13.372   13.432  12.661  5.6708 17.219  6.1951 -4.557784      8.398667  
1 1 1 13  23  10 o 66.302  2.3719 218.513  15.522  218.113  23.555  218.820  20.637  65.829  3.6394 66.166  3.1599 -0.3373184     4.819757  
1 1 1 13  23  11 o 49.872  3.7424 125.602  18.288  122.912  27.397  127.764  24.561  48.562  5.8323 49.842  5.0628 -1.279652      7.723182  
1 1 1 13  23  12 o 34.883  1.7393 60.287   5.9885  73.707   19.665  58.915   6.2871  37.590  5.4598 34.426  1.8571 3.164696       5.767020  
1 1 1 13  23  13 o 42.194  1.7925 88.229   7.4654  95.347   21.009  87.200   7.9867  42.986  5.0477 41.934  1.9296 1.052448       5.403967  
1 1 1 13  23  14 o 101.589 2.2621 512.772  22.683  512.564  33.994  512.939  30.454  101.140 3.4052 101.330 3.0449 -0.1902618     4.568008  
1 1 1 13  23  15 o 10.238  2.4945 5.4230   2.4975  3.3381   16.830  5.4700   2.5254  15.502  6.5077 10.281  2.5104 5.220657       6.975081  
1 1 1 13  23  16 f 26.926  7.5310 39.826   20.799  46.242   31.380  34.800   27.776  28.902  9.5040 25.792  8.9405 3.110292       13.04831  
1 1 1 13  23  17 o 31.512  1.2661 49.120   3.9380  51.699   5.7694  46.870   5.3885  32.238  1.8206 30.695  1.7863 1.542831       2.550523  
1 1 1 13  23  18 o 39.432  2.0568 77.434   7.9774  121.178  24.075  72.038   8.4551  48.367  5.1207 37.993  2.2650 10.37443       5.599229  
1 1 1 13  23  19 f 15.151  5.9503 7.7593   13.006  6.6603   18.421  8.8515   18.365  16.766  6.9033 17.273  6.9742 -0.5072823     9.812986  
1 1 1 13  23  20 o 31.067  1.2505 47.759   3.8346  66.370   5.5536  30.802   5.3011  36.599  1.5373 24.788  2.1891 11.81084       2.675030  
1 1 1 13  23  21 o 25.500  7.9809 36.324   22.321  35.294   28.122  38.079   36.697  25.517  8.9868 26.894  10.140 -1.376686      13.54936  
1 1 1 13  24  12 o 64.429  3.2983 208.823  20.905  225.080  27.543  186.731  32.108  66.503  4.2178 59.916  5.4902 6.586288       6.923299  
1 1 1 13  24  13 o 51.199  2.9801 131.572  14.995  140.452  24.064  125.935  19.172  52.265  4.7155 49.778  3.9342 2.486664       6.141182  
1 1 1 13  24  14 o 39.128  1.6347 75.873   6.3134  79.145   6.7709  54.084   17.472  39.954  1.7169 31.862  5.7678 8.091702       6.017947  
1 1 1 13  24  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 13  24  16 o 77.072  2.1960 295.484  16.706  312.715  19.023  237.400  34.925  79.216  2.4329 67.646  5.2724 11.56995       5.806639  
1 1 1 13  24  17 o 42.873  1.2975 90.975   5.4908  98.550   7.9328  84.009   7.6077  44.562  1.8035 41.135  1.8738 3.427883       2.600704  
1 1 1 13  24  18 o 21.924  5.9955 26.092   13.347  25.575   23.960  26.325   16.072  22.640  8.2550 22.045  6.7514 0.5946674      10.66426  
1 1 1 14  -15 0  o 48.586  1.5451 116.869  7.4096  119.932  8.3934  106.051  15.773  49.199  1.7284 45.856  3.5117 3.343769       3.913972  
1 1 1 14  -15 1  o 37.578  0.9068 69.765   3.3634  85.520   4.7557  53.997   4.7575  41.591  1.1585 33.031  1.4592 8.559731       1.863156  
1 1 1 14  -15 2  o 53.513  1.3133 141.648  6.9368  136.599  9.6686  147.003  9.9581  52.489  1.8662 54.453  1.8528 -1.964119      2.629745  
1 1 1 14  -15 3  o 52.851  1.2656 138.150  6.6022  134.602  8.0984  145.182  11.401  52.137  1.5737 54.071  2.1362 -1.934189      2.653233  
1 1 1 14  -14 0  o 79.436  2.2571 313.234  17.697  353.202  28.608  288.457  22.524  84.026  3.4493 76.060  3.0003 7.966225       4.571624  
1 1 1 14  -14 1  o 56.291  1.4112 156.732  7.8406  182.190  17.223  150.077  8.8060  60.473  2.8855 55.063  1.6203 5.410698       3.309251  
1 1 1 14  -14 2  f 62.713  2.0294 195.006  12.562  189.111  17.781  200.880  17.751  61.604  2.9242 63.512  2.8316 -1.907101      4.070496  
1 1 1 14  -14 3  o 77.879  1.8959 300.553  14.573  288.824  20.832  311.795  20.395  76.168  2.7710 79.178  2.6096 -3.009819      3.806358  
1 1 1 14  -14 4  o 45.185  1.2104 100.930  5.3982  100.522  7.6346  101.338  7.6338  45.055  1.7168 45.238  1.7096 -0.1832008     2.422848  
1 1 1 14  -14 5  o 12.292  1.5648 7.5982   1.8554  7.7788   1.8784  0.3538   11.897  12.440  1.5645 12.637  5.3950 -0.1974134     5.617259  
1 1 1 14  -14 6  o 16.271  1.6402 13.240   2.5982  0.0000   0.0000  13.240   2.5982  ?       ?      16.271  1.6402 0.000000       1.640188  
1 1 1 14  -13 0  o 23.341  3.9587 28.033   8.7945  33.878   13.199  23.366   11.794  25.369  5.4348 21.056  5.5837 4.312910       7.791904  
1 1 1 14  -13 1  o 78.988  3.7764 312.318  29.442  299.105  71.264  315.038  32.330  73.734  10.054 79.111  4.1549 -5.376984      10.87876  
1 1 1 14  -13 2  o 37.848  7.8315 77.399   28.292  86.139   40.626  69.169   39.423  39.012  10.372 35.097  10.536 3.914505       14.78476  
1 1 1 14  -13 3  o 50.540  7.1204 134.648  34.536  119.339  48.536  150.347  49.151  45.714  10.909 52.012  9.9363 -6.298676      14.75571  
1 1 1 14  -13 4  o 37.806  7.9112 77.391   28.573  72.322   40.351  82.489   40.467  35.796  10.640 38.151  10.442 -2.354839      14.90810  
1 1 1 14  -13 5  o 27.227  7.7418 39.924   21.792  42.348   30.649  37.446   30.990  28.344  9.3962 27.181  9.4424 1.163155       13.32092  
1 1 1 14  -13 6  o 29.015  7.8655 45.710   23.091  49.625   32.403  41.671   32.913  30.242  9.6350 28.354  9.7377 1.888485       13.69877  
1 1 1 14  -13 7  o 43.090  7.2582 98.964   29.773  118.073  41.907  79.490   42.306  46.049  9.5340 37.267  10.846 8.782551       14.44058  
1 1 1 14  -13 8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -12 0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -12 1  o 23.308  8.6603 23.349   26.576  27.895   40.036  19.769   35.533  26.827  10.467 24.473  9.7637 2.353844       14.31412  
1 1 1 14  -12 2  f 53.238  7.0576 147.937  36.173  157.030  51.515  139.094  50.804  53.446  10.136 49.989  10.624 3.457397       14.68370  
1 1 1 14  -12 3  o 39.069  1.2469 75.429   4.8084  73.864   5.0172  93.061   16.845  38.658  1.3149 42.947  4.0205 -4.289028      4.230041  
1 1 1 14  -12 4  o 33.397  0.8648 55.081   2.8508  57.422   4.0285  52.733   4.0348  34.089  1.1973 32.666  1.2514 1.423203       1.731908  
1 1 1 14  -12 5  o 72.748  1.5581 261.756  11.188  275.656  15.630  247.150  16.022  74.585  2.1231 70.599  2.2993 3.986305       3.129583  
1 1 1 14  -12 6  o 77.877  1.5794 300.000  12.140  328.306  16.982  270.411  17.362  81.395  2.1138 73.829  2.3826 7.565475       3.185111  
1 1 1 14  -12 7  o 31.860  1.4401 50.191   4.5286  40.237   12.540  51.684   4.8564  27.903  4.7216 32.326  1.5220 -4.423286      4.960841  
1 1 1 14  -12 8  o 58.198  1.5677 167.548  9.0054  167.200  15.716  167.717  10.988  57.997  2.7454 58.194  1.9130 -0.1969299     3.346181  
1 1 1 14  -12 9  o 30.268  0.9574 45.256   2.8604  46.362   4.8225  44.655   3.5529  30.569  1.6039 30.059  1.1975 0.5099869      2.001622  
1 1 1 14  -12 10 o 16.647  4.9548 14.242   8.7458  23.555   12.301  4.7205   12.437  21.125  5.7467 14.132  5.7276 6.993629       8.113554  
1 1 1 14  -11 0  o 19.464  4.7089 19.727   8.9481  20.161   12.693  19.298   12.617  19.865  5.9819 19.504  5.9832 0.3613205      8.460658  
1 1 1 14  -11 1  o 123.012 1.9288 748.666  23.419  748.118  33.267  749.204  32.974  122.809 2.7444 122.904 2.7182 -0.9504700E-01 3.862652  
1 1 1 14  -11 2  o 79.023  1.6494 308.750  12.865  324.447  21.914  300.495  15.892  80.875  2.7452 77.918  2.0664 2.956429       3.436027  
1 1 1 14  -11 3  o 52.983  4.3799 141.300  22.700  194.598  72.440  135.497  23.904  58.604  12.875 51.793  4.7280 6.811279       13.71573  
1 1 1 14  -11 4  o 43.922  1.2553 95.316   5.4419  93.767   7.6009  96.946   7.7949  43.540  1.7687 44.271  1.7838 -0.7311249     2.512023  
1 1 1 14  -11 5  o 28.041  0.8087 38.824   2.2383  39.175   3.1455  38.463   3.1858  28.161  1.1317 27.903  1.1567 0.2575378      1.618234  
1 1 1 14  -11 6  o 112.363 1.8327 624.736  20.326  665.277  28.746  584.200  28.744  115.817 2.5146 108.494 2.6842 7.323868       3.678041  
1 1 1 14  -11 7  o 75.399  1.5135 281.092  11.263  274.653  15.680  287.956  16.190  74.461  2.1335 76.241  2.1514 -1.779579      3.029868  
1 1 1 14  -11 8  o 101.913 1.8270 514.044  18.378  503.506  25.580  525.287  26.422  100.722 2.5730 102.871 2.6022 -2.148903      3.659461  
1 1 1 14  -11 9  o 15.673  1.5356 12.263   2.3449  12.280   2.3987  11.910   11.143  15.679  1.5711 16.171  5.6596 -0.4914246     5.873600  
1 1 1 14  -11 10 o 82.113  1.4573 333.397  11.811  340.322  16.708  326.478  16.700  82.885  2.0422 81.175  2.0843 1.709740       2.918073  
1 1 1 14  -11 11 o 43.282  1.2579 92.593   5.3737  108.392  7.6103  76.883   7.5889  46.804  1.6474 39.397  1.9515 7.406033       2.553882  
1 1 1 14  -10 0  o 41.410  0.9784 84.671   3.9991  82.164   5.6473  87.194   5.6640  40.780  1.4030 42.011  1.3659 -1.230927      1.958096  
1 1 1 14  -10 1  o 40.018  2.3490 79.544   9.2379  73.555   12.942  85.764   13.190  38.327  3.4584 41.442  3.2506 -3.114418      4.746246  
1 1 1 14  -10 2  o 66.514  1.4705 218.594  9.6540  229.003  13.852  208.765  13.461  68.040  2.0627 64.961  2.0995 3.078720       2.943182  
1 1 1 14  -10 3  o 50.477  1.4732 125.895  7.3396  128.235  12.536  124.674  9.0534  50.886  2.4959 50.215  1.8266 0.6712685      3.092919  
1 1 1 14  -10 4  o 24.588  7.3521 31.186   19.223  28.937   26.145  33.833   28.361  24.848  8.6706 26.445  9.0404 -1.597183      12.52632  
1 1 1 14  -10 5  o 83.340  1.5199 343.252  12.503  336.650  16.696  351.681  18.865  82.488  2.0507 84.286  2.2676 -1.797951      3.057338  
1 1 1 14  -10 6  o 72.340  1.5186 258.639  10.843  242.482  15.080  275.935  15.602  69.990  2.1829 74.668  2.1170 -4.678566      3.040833  
1 1 1 14  -10 7  o 88.814  2.0252 390.367  17.753  335.480  30.110  419.615  21.980  82.063  3.7173 92.026  2.4199 -9.962692      4.435579  
1 1 1 14  -10 8  o 96.137  1.7528 457.149  16.633  453.641  23.625  460.598  23.422  95.656  2.5022 96.394  2.4617 -0.7377625     3.510090  
1 1 1 14  -10 9  o 33.490  2.5973 55.973   8.5185  61.811   11.791  49.600   12.320  35.063  3.4518 31.243  4.0935 3.819714       5.354579  
1 1 1 14  -10 10 o 20.853  1.3168 21.576   2.6963  22.263   2.7950  12.355   10.238  21.181  1.3438 16.123  5.4320 5.058491       5.595738  
1 1 1 14  -10 11 o 48.510  1.4342 116.336  6.8670  111.324  12.802  118.360  8.1365  47.265  2.7561 48.914  1.6853 -1.648911      3.230555  
1 1 1 14  -10 12 o 95.296  1.6358 449.239  15.386  462.202  22.362  437.583  21.204  96.540  2.3467 93.945  2.2867 2.594803       3.276601  
1 1 1 14  -10 13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -9  0  o 66.868  1.4268 220.873  9.4168  217.535  13.481  224.054  13.160  66.327  2.0591 67.318  1.9806 -0.9913559     2.857038  
1 1 1 14  -9  1  o 31.135  1.0461 47.865   3.2148  42.121   4.5440  53.622   4.5489  29.155  1.5850 32.948  1.3988 -3.793041      2.113951  
1 1 1 14  -9  2  o 43.687  2.3105 94.678   9.9276  94.582   13.977  94.775   14.103  43.552  3.2755 43.593  3.3023 -0.4092407E-01 4.651191  
1 1 1 14  -9  3  f 104.054 1.7569 535.092  18.044  541.631  25.862  528.889  25.188  104.613 2.5046 103.379 2.4685 1.233688       3.516597  
1 1 1 14  -9  4  o 52.806  1.0615 137.686  5.5327  132.609  7.8156  142.787  7.8334  51.808  1.5284 53.762  1.4762 -1.953506      2.124868  
1 1 1 14  -9  5  o 38.113  1.5316 71.770   5.7616  72.401   5.8415  49.184   34.953  38.280  1.5460 31.079  10.018 7.201368       10.13665  
1 1 1 14  -9  6  o 115.641 1.9391 661.237  22.134  649.652  30.644  673.872  32.004  114.519 2.7110 116.623 2.7802 -2.103996      3.883227  
1 1 1 14  -9  7  o 41.452  1.0153 84.847   4.1542  74.821   6.7638  90.920   5.2640  38.904  1.7614 42.904  1.2430 -3.999676      2.155856  
1 1 1 14  -9  8  o 77.240  1.4996 294.824  11.433  269.613  19.487  308.056  14.118  73.756  2.6767 78.930  1.8121 -5.173470      3.232420  
1 1 1 14  -9  9  o 79.408  1.5865 311.703  12.434  314.521  19.311  309.707  16.252  79.675  2.4556 79.107  2.0814 0.5685425      3.219033  
1 1 1 14  -9  10 o 108.394 2.4428 582.303  26.136  593.617  36.734  570.705  37.193  109.225 3.4073 107.067 3.5194 2.157806       4.898596  
1 1 1 14  -9  11 o 32.176  1.3838 51.169   4.3949  51.577   4.8240  49.177   10.659  32.300  1.5131 31.228  3.5194 1.071373       3.830900  
1 1 1 14  -9  12 o 88.031  1.7284 383.345  15.018  384.534  21.248  382.158  21.230  88.064  2.4445 87.790  2.4500 0.2733612      3.460978  
1 1 1 14  -9  13 o 58.744  1.5640 170.653  9.0686  171.797  11.455  168.732  14.844  58.906  1.9702 58.311  2.5790 0.5944977      3.245443  
1 1 1 14  -9  14 o 65.021  1.6347 209.151  10.491  219.356  16.825  202.660  13.419  66.472  2.5645 63.951  2.1259 2.520702       3.331086  
1 1 1 14  -8  0  o 126.633 1.9681 792.604  24.599  786.008  35.002  799.040  34.578  126.006 2.8143 127.054 2.7573 -1.048164      3.939928  
1 1 1 14  -8  1  o 30.072  1.0411 44.649   3.0903  46.822   4.3500  42.435   4.3910  30.790  1.4314 29.271  1.5251 1.519072       2.091593  
1 1 1 14  -8  2  o 43.495  1.2193 93.417   5.2348  97.131   7.3615  89.617   7.4454  44.340  1.6820 42.588  1.7712 1.752228       2.442624  
1 1 1 14  -8  3  o 64.661  1.3728 206.487  8.7616  191.412  12.390  221.565  12.391  62.230  2.0172 66.959  1.8749 -4.729393      2.753942  
1 1 1 14  -8  4  o 48.913  1.8016 118.223  8.6980  116.589  12.183  119.922  12.422  48.477  2.5553 49.165  2.5686 -0.6885796     3.623155  
1 1 1 14  -8  5  o 80.297  1.5574 318.504  12.343  312.767  17.116  324.719  17.816  79.534  2.1803 81.036  2.2274 -1.502052      3.116951  
1 1 1 14  -8  6  o 101.970 2.4150 514.396  24.306  511.773  25.245  547.734  89.999  101.699 2.5149 103.317 8.9125 -1.617493      9.260568  
1 1 1 14  -8  7  o 103.531 1.7208 529.676  17.585  537.792  24.865  521.554  24.872  104.255 2.4163 102.664 2.4545 1.590164       3.444286  
1 1 1 14  -8  8  o 114.949 1.9052 653.230  21.616  661.789  30.574  644.676  30.564  115.602 2.6795 114.092 2.7141 1.509521       3.813935  
1 1 1 14  -8  9  o 61.905  1.2388 189.278  7.5696  197.058  10.706  181.501  10.704  63.141  1.7179 60.593  1.7897 2.547604       2.480757  
1 1 1 14  -8  10 o 56.972  1.1499 160.312  6.4665  165.107  9.1869  155.604  9.1037  57.797  1.6104 56.107  1.6439 1.689663       2.301235  
1 1 1 14  -8  11 f 95.121  2.0048 447.704  18.822  445.747  23.249  451.426  32.067  94.847  2.4834 95.281  3.4097 -0.4339523     4.218218  
1 1 1 14  -8  12 o 66.901  1.6470 221.311  10.876  215.135  14.651  228.892  16.232  65.906  2.2522 67.962  2.4198 -2.055695      3.305751  
1 1 1 14  -8  13 o 126.521 1.9610 792.278  24.489  804.500  33.981  779.071  35.324  127.329 2.7038 125.261 2.8571 2.068115       3.933641  
1 1 1 14  -8  14 o 22.659  1.2745 25.450   2.8388  25.589   2.9322  23.381   11.338  22.717  1.3133 21.127  5.4127 1.590237       5.569753  
1 1 1 14  -8  15 o 71.834  1.6550 255.258  11.735  249.214  17.546  260.150  15.784  70.871  2.5083 72.453  2.2071 -1.582108      3.341097  
1 1 1 14  -7  0  o 113.762 2.0071 639.587  22.538  646.521  31.872  632.653  31.874  114.300 2.8251 113.064 2.8561 1.235992       4.017306  
1 1 1 14  -7  1  o 55.677  1.3441 153.078  7.3866  143.874  10.424  162.359  10.468  53.959  1.9573 57.324  1.8502 -3.365433      2.693323  
1 1 1 14  -7  2  o 108.835 1.9529 585.310  20.979  605.882  29.249  563.515  30.106  110.670 2.6776 106.713 2.8583 3.957100       3.916552  
1 1 1 14  -7  3  o 26.717  1.0658 35.242   2.8107  31.417   3.8988  39.381   4.0558  25.171  1.5772 28.200  1.4621 -3.029345      2.150681  
1 1 1 14  -7  4  o 81.466  1.7691 327.876  14.226  346.081  19.954  309.061  20.286  83.660  2.4165 79.047  2.6000 4.613045       3.549580  
1 1 1 14  -7  5  o 143.211 2.1972 1013.83  31.059  986.340  43.208  1043.21  44.676  141.142 3.1015 145.152 3.1183 -4.009598      4.398127  
1 1 1 14  -7  6  o 145.253 2.2609 1043.11  32.415  1023.41  45.840  1062.81  45.843  143.742 3.2309 146.493 3.1705 -2.750931      4.526683  
1 1 1 14  -7  7  o 139.854 2.3495 967.234  32.432  968.154  41.527  965.795  51.930  139.831 3.0088 139.529 3.7707 0.3018494      4.824010  
1 1 1 14  -7  8  o 86.554  1.8174 370.205  15.527  366.542  19.342  376.841  26.037  86.093  2.2761 87.227  3.0242 -1.133575      3.785034  
1 1 1 14  -7  9  o 42.646  1.1282 89.806   4.7489  92.564   6.7950  87.173   6.6396  43.285  1.5905 42.005  1.6014 1.279545       2.257022  
1 1 1 14  -7  10 o 57.708  1.1224 164.452  6.3931  172.663  8.4494  153.456  9.7778  59.120  1.4480 55.720  1.7778 3.399101       2.292900  
1 1 1 14  -7  11 o 75.291  1.3363 280.030  9.9308  260.425  14.031  299.711  14.058  72.568  1.9588 77.860  1.8293 -5.291534      2.680164  
1 1 1 14  -7  12 o 86.549  1.7709 370.384  15.128  357.134  20.980  384.734  21.834  84.907  2.5034 88.126  2.5102 -3.219017      3.545163  
1 1 1 14  -7  13 o 54.205  1.8042 145.319  9.6530  143.902  14.133  146.558  13.216  53.871  2.6579 54.384  2.4621 -0.5131111     3.623011  
1 1 1 14  -7  14 o 152.570 2.3794 1153.44  35.832  1201.41  51.783  1109.38  49.634  155.391 3.3762 149.324 3.3676 6.066803       4.768558  
1 1 1 14  -7  15 o 13.623  1.7644 9.3330   2.3167  12.285   9.4303  9.1434   2.3899  15.907  5.2091 13.470  1.8462 2.437281       5.526553  
1 1 1 14  -7  16 f 19.996  1.5882 19.897   3.1088  37.130   14.491  19.066   3.1830  26.596  5.6920 19.563  1.6642 7.033545       5.930314  
1 1 1 14  -6  0  o 54.768  1.2882 148.111  6.9639  158.884  9.8163  137.194  9.8810  56.713  1.7536 52.696  1.8997 4.017456       2.585367  
1 1 1 14  -6  1  o 87.025  2.0168 374.216  17.324  395.685  29.646  363.084  21.348  89.389  3.3601 85.691  2.5240 3.698219       4.202424  
1 1 1 14  -6  2  o 113.096 1.7677 631.835  19.733  622.563  27.577  641.564  28.247  112.212 2.4898 113.910 2.5124 -1.697617      3.537119  
1 1 1 14  -6  3  o 128.817 2.1904 820.092  27.850  828.714  34.279  803.349  47.769  129.446 2.6829 127.314 3.8013 2.132431       4.652750  
1 1 1 14  -6  4  f 16.737  1.3835 13.928   2.2652  12.837   3.1338  15.121   3.2779  15.990  2.0314 17.386  1.9433 -1.396112      2.811256  
1 1 1 14  -6  5  o 84.617  1.6228 353.635  13.554  363.346  18.554  342.526  19.846  85.743  2.1924 83.237  2.4156 2.505539       3.262151  
1 1 1 14  -6  6  o 69.942  1.4330 241.572  9.8928  218.850  14.274  262.578  13.724  66.544  2.1731 72.901  1.9072 -6.357475      2.891396  
1 1 1 14  -6  7  f 76.643  1.4904 290.104  11.275  296.807  16.270  283.910  15.639  77.495  2.1270 75.795  2.0905 1.700623       2.982339  
1 1 1 14  -6  8  o 66.666  1.3170 219.465  8.6658  198.556  12.536  238.601  11.993  63.387  2.0037 69.497  1.7483 -6.109573      2.659182  
1 1 1 14  -6  9  o 24.837  1.2575 30.540   3.0727  31.799   3.1900  14.352   11.438  25.344  1.2793 17.365  5.7393 7.979029       5.880113  
1 1 1 14  -6  10 o 61.402  1.3325 186.195  8.0758  186.055  11.697  186.323  11.163  61.355  1.9315 61.403  1.8419 -0.4819489E-01 2.668962  
1 1 1 14  -6  11 o 142.152 2.1495 999.276  30.159  976.006  43.114  1021.57  42.203  140.331 3.1127 143.595 2.9776 -3.264282      4.307579  
1 1 1 14  -6  12 o 43.411  0.9857 93.049   4.2236  96.582   6.9112  90.943   5.3359  44.210  1.5838 42.910  1.2598 1.300163       2.023740  
1 1 1 14  -6  13 o 134.121 2.1827 890.182  28.895  894.571  39.764  885.271  42.059  134.289 3.0000 133.544 3.1908 0.7447205      4.379608  
1 1 1 14  -6  14 o 136.124 2.0697 917.001  27.809  983.287  39.953  854.710  38.730  140.779 2.8752 131.224 2.9902 9.554932       4.148308  
1 1 1 14  -6  15 o 55.260  1.1056 150.834  6.0303  156.177  8.5276  145.489  8.5286  56.209  1.5371 54.248  1.5928 1.960697       2.213507  
1 1 1 14  -6  16 o 126.619 2.0102 793.558  25.123  784.274  35.561  802.808  35.497  125.685 2.8666 127.172 2.8279 -1.486610      4.026724  
1 1 1 14  -6  17 o 42.296  1.7848 88.515   7.4510  93.664   40.036  88.330   7.5835  41.197  9.9563 42.250  1.8185 -1.052528      10.12100  
1 1 1 14  -5  0  o 52.818  6.5388 141.391  33.360  141.810  47.965  140.997  46.430  52.141  9.6762 52.063  9.3801 0.7773972E-01  13.47647  
1 1 1 14  -5  1  o 97.208  6.3011 473.388  60.132  482.488  85.368  464.427  84.715  97.406  8.9803 95.515  9.0956 1.891609       12.78191  
1 1 1 14  -5  2  o 159.086 6.6361 1264.05  104.202 1362.24  147.679 1166.68  147.051 164.032 9.1578 151.444 9.8918 12.58847       13.48012  
1 1 1 14  -5  3  o 123.811 6.4171 766.949  78.152  752.745  110.347 781.245  110.702 121.770 9.2500 124.121 9.0994 -2.351257      12.97547  
1 1 1 14  -5  4  o 89.723  6.2639 403.401  55.124  395.394  77.680  411.524  78.238  88.100  9.0622 89.935  8.9318 -1.835037      12.72403  
1 1 1 14  -5  5  o 71.906  6.2662 259.794  44.029  261.194  62.356  258.401  62.178  71.428  9.0475 71.030  9.0762 0.3975143      12.81541  
1 1 1 14  -5  6  o 153.688 6.6005 1179.72  100.127 1176.70  141.488 1182.76  141.713 152.268 9.4609 152.665 9.4509 -0.3969879     13.37267  
1 1 1 14  -5  7  o 144.722 6.5531 1046.20  93.608  1022.30  132.387 1070.09  132.376 141.828 9.5120 145.218 9.2840 -3.389725      13.29173  
1 1 1 14  -5  8  o 128.618 3.9898 820.214  50.651  982.309  167.883 803.982  53.126  137.479 12.509 127.303 4.2280 10.17665       13.20395  
1 1 1 14  -5  9  o 197.043 3.3498 1922.76  65.150  1957.42  92.137  1888.10  92.135  198.479 4.7031 194.909 4.7892 3.570404       6.712326  
1 1 1 14  -5  10 o 85.044  1.5528 357.217  13.034  363.859  18.429  350.570  18.437  85.797  2.1762 84.214  2.2180 1.583817       3.107314  
1 1 1 14  -5  11 o 33.408  1.1151 55.105   3.6770  61.156   11.224  54.378   3.8918  34.980  3.2896 33.185  1.1881 1.794727       3.497590  
1 1 1 14  -5  12 o 135.988 1.9902 914.143  26.713  921.816  37.990  906.638  37.571  136.445 2.8208 135.318 2.8129 1.126785       3.983680  
1 1 1 14  -5  13 f 50.465  1.8203 125.881  9.0669  129.415  13.836  123.221  12.003  51.043  2.7564 49.898  2.4372 1.144997       3.679398  
1 1 1 14  -5  14 f 93.728  1.6752 434.218  15.498  424.123  21.641  444.845  22.203  92.560  2.3688 94.794  2.3730 -2.233643      3.352985  
1 1 1 14  -5  15 o 63.164  1.4368 197.151  8.9580  195.418  13.027  198.706  12.339  62.840  2.1002 63.376  1.9724 -0.5368423     2.881222  
1 1 1 14  -5  16 o 44.502  1.2636 97.842   5.5503  105.468  7.6771  89.490   8.0337  46.184  1.6841 42.530  1.9137 3.653996       2.549235  
1 1 1 14  -5  17 o 107.948 1.8638 576.519  19.858  581.926  27.833  570.913  28.342  108.326 2.6032 107.281 2.6765 1.044701       3.733652  
1 1 1 14  -5  18 o 19.029  6.7112 16.507   15.689  13.471   22.441  19.410   21.942  19.996  7.8270 21.354  7.8820 -1.358589      11.10804  
1 1 1 14  -4  0  o 125.208 6.3989 784.059  78.817  786.843  111.739 781.302  111.191 124.578 9.1512 124.141 9.1387 0.4373779      12.93287  
1 1 1 14  -4  1  o 77.999  6.1943 305.082  47.296  300.117  67.518  309.865  66.273  76.661  9.1008 78.007  8.7588 -1.345787      12.63095  
1 1 1 14  -4  2  o 157.864 6.6259 1243.68  103.244 1279.38  146.148 1208.11  145.870 158.986 9.3545 154.369 9.6214 4.616699       13.41927  
1 1 1 14  -4  3  o 89.493  6.2026 400.950  54.451  431.453  77.044  370.508  76.966  92.278  8.5561 85.248  9.2978 7.029785       12.63556  
1 1 1 14  -4  4  f 159.934 6.6697 1276.52  105.289 1237.64  148.723 1315.59  149.079 156.242 9.6916 161.226 9.4089 -4.983368      13.50758  
1 1 1 14  -4  5  o 98.251  6.2308 482.956  60.112  495.247  85.098  470.714  84.925  98.840  8.8153 96.274  9.0430 2.565231       12.62871  
1 1 1 14  -4  6  o 124.394 6.3926 773.604  78.224  769.652  110.553 777.566  110.699 123.251 9.1529 123.899 9.1159 -0.6480103     12.91805  
1 1 1 14  -4  7  o 113.020 6.3263 638.871  70.289  644.768  99.718  633.047  99.092  112.773 9.0343 111.727 9.0637 1.045486       12.79727  
1 1 1 14  -4  8  o 170.107 6.7592 1445.46  113.489 1470.73  160.578 1420.24  160.417 170.303 9.5918 167.267 9.7588 3.036240       13.68347  
1 1 1 14  -4  9  o 143.427 6.4927 1027.07  91.915  1053.32  130.301 1001.07  129.676 144.140 9.2067 140.421 9.4105 3.718658       13.16516  
1 1 1 14  -4  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -4  11 o 205.625 3.5268 2094.84  71.579  2129.19  100.812 2059.93  101.649 206.917 4.9361 203.484 5.0610 3.432907       7.069576  
1 1 1 14  -4  12 o 87.623  1.6321 379.268  14.116  380.879  19.918  377.642  20.007  87.769  2.2992 87.394  2.3194 0.3752899      3.265837  
1 1 1 14  -4  13 o 41.330  1.3832 84.366   5.6427  77.558   7.9765  91.186   7.9835  39.557  2.0500 42.954  1.8830 -3.397518      2.783563  
1 1 1 14  -4  14 f 41.547  1.4117 85.266   5.7890  86.709   6.8263  81.572   10.924  41.890  1.6510 40.492  2.7495 1.397305       3.207084  
1 1 1 14  -4  15 o 69.563  1.3486 239.049  9.2593  233.006  12.674  245.967  13.560  68.647  1.8705 70.525  1.9480 -1.877716      2.700655  
1 1 1 14  -4  16 o 65.916  1.6683 214.798  10.854  201.872  14.766  229.994  16.010  63.849  2.3430 68.148  2.3802 -4.298656      3.339859  
1 1 1 14  -4  17 o 101.309 1.7617 507.565  17.616  517.546  24.322  496.553  25.549  102.208 2.4110 100.084 2.5862 2.123413       3.535729  
1 1 1 14  -4  18 o 21.786  1.5273 23.578   3.2635  23.702   10.261  23.564   3.4423  21.312  4.9692 21.771  1.6133 -0.4592323     5.224545  
1 1 1 14  -4  19 o 26.414  5.4296 36.467   13.683  31.244   15.316  57.116   30.454  24.327  6.3210 32.451  9.1260 -8.124592      11.10129  
1 1 1 14  -3  0  o 20.185  1.1375 20.178   2.2569  19.631   3.1465  20.756   3.2391  19.872  1.6182 20.437  1.6189 -0.5650768     2.289012  
1 1 1 14  -3  1  o 37.408  1.3111 69.088   4.8408  61.573   9.3948  71.805   5.6484  35.185  2.7265 38.133  1.5007 -2.948708      3.112196  
1 1 1 14  -3  2  o 85.760  1.6649 363.218  14.093  366.748  17.420  356.529  23.979  86.161  2.0483 84.912  2.8611 1.249657       3.518737  
1 1 1 14  -3  3  o 112.036 1.8401 619.966  20.349  589.320  28.221  653.151  29.367  109.186 2.6186 114.950 2.5884 -5.763275      3.681968  
1 1 1 14  -3  4  o 201.276 2.7479 2002.94  54.592  1954.97  77.332  2050.59  77.078  198.663 3.9437 203.483 3.8377 -4.820221      5.502800  
1 1 1 14  -3  5  o 63.803  1.4035 200.999  8.8386  176.920  11.933  230.268  13.156  59.845  2.0201 68.276  1.9522 -8.431297      2.809258  
1 1 1 14  -3  6  o 123.157 2.8099 749.964  34.157  689.010  48.263  811.134  48.348  117.915 4.1468 127.977 3.8275 -10.06276      5.643231  
1 1 1 14  -3  7  o 213.542 4.1761 2259.97  88.021  2298.40  124.505 2221.58  124.455 214.908 5.8695 211.257 5.9685 3.651398       8.371058  
1 1 1 14  -3  8  o 105.400 6.2143 555.372  64.364  595.239  91.542  516.393  90.516  108.506 8.6183 100.849 9.1943 7.657417       12.60201  
1 1 1 14  -3  9  o 167.278 6.7133 1396.84  110.843 1446.79  156.981 1347.19  156.533 169.059 9.4453 162.973 9.7761 6.086075       13.59362  
1 1 1 14  -3  10 o 124.364 6.3822 773.508  78.080  785.328  110.334 761.650  110.509 124.496 9.0405 122.537 9.2041 1.958633       12.90139  
1 1 1 14  -3  11 o 95.917  6.2161 460.825  58.533  500.850  82.839  420.917  82.718  99.387  8.5270 90.795  9.3645 8.592247       12.66509  
1 1 1 14  -3  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -3  13 o 159.012 2.2189 1249.94  34.826  1280.46  50.850  1222.98  47.794  160.796 3.2039 157.166 3.0809 3.629578       4.444914  
1 1 1 14  -3  14 o 193.555 2.9934 1855.39  57.187  1859.91  80.870  1850.88  80.879  193.451 4.2353 192.978 4.2461 0.4734650      5.997292  
1 1 1 14  -3  15 f 95.219  1.6896 448.046  15.880  471.069  22.917  426.780  22.025  97.573  2.3795 92.870  2.4027 4.702316       3.381567  
1 1 1 14  -3  16 o 84.205  1.6445 350.443  13.668  319.720  18.731  385.431  19.989  80.367  2.3613 88.248  2.2948 -7.880547      3.292706  
1 1 1 14  -3  17 o 138.363 2.1803 947.569  29.776  925.806  40.534  973.079  43.885  136.585 3.0066 139.984 3.1762 -3.398773      4.373574  
1 1 1 14  -3  18 o 77.821  1.4749 299.312  11.329  299.042  16.234  299.568  15.817  77.727  2.1161 77.801  2.0597 -0.7446289E-01 2.952999  
1 1 1 14  -3  19 f 42.248  2.0598 88.354   8.5892  82.471   12.386  93.804   11.922  40.621  3.1128 43.387  2.7987 -2.765621      4.185981  
1 1 1 14  -2  0  o 236.359 5.6789 2778.33  132.486 2778.33  132.486 0.0000   0.0000  236.359 5.6789 ?       ?      0.000000       5.678913  
1 1 1 14  -2  1  o 178.324 3.0394 1572.76  53.498  1540.29  75.655  1605.22  75.659  176.275 4.3483 179.968 4.2592 -3.693100      6.086723  
1 1 1 14  -2  2  o 101.092 1.7070 504.695  17.033  505.849  23.635  503.449  24.568  101.176 2.3667 100.930 2.4661 0.2458420      3.418011  
1 1 1 14  -2  3  o 68.847  1.5483 234.049  10.522  225.921  13.243  247.961  17.326  67.629  1.9839 70.833  2.4782 -3.204254      3.174476  
1 1 1 14  -2  4  o 139.921 1.9865 967.072  27.435  967.258  38.635  966.884  38.966  139.873 2.7984 139.844 2.8230 0.2925110E-01  3.974962  
1 1 1 14  -2  5  o 120.749 2.0692 720.272  24.662  686.864  34.872  753.698  34.881  117.853 2.9978 123.465 2.8623 -5.611832      4.144836  
1 1 1 14  -2  6  o 23.558  2.7705 27.813   6.3190  32.862   8.5346  21.688   9.4007  25.536  3.4764 20.504  4.7399 5.031996       5.878093  
1 1 1 14  -2  7  o 163.975 2.3636 1328.67  38.255  1242.22  53.453  1419.44  54.774  158.439 3.4180 169.383 3.2762 -10.94341      4.734589  
1 1 1 14  -2  8  o 27.251  2.6374 37.052   7.0052  38.168   10.220  36.063   9.6207  27.494  3.8734 26.730  3.7497 0.7643871      5.391007  
1 1 1 14  -2  9  o 163.525 2.4555 1321.59  39.633  1309.17  53.934  1336.16  58.435  162.653 3.3595 164.287 3.6036 -1.634460      4.926673  
1 1 1 14  -2  10 o 75.090  5.9596 282.434  43.808  301.516  61.547  262.839  62.368  77.109  8.2130 71.735  9.0071 5.374100       12.18940  
1 1 1 14  -2  11 o 75.305  6.0787 284.323  44.797  296.076  63.273  272.511  63.433  76.288  8.5499 73.036  8.9890 3.252739       12.40572  
1 1 1 14  -2  12 o 114.638 5.5798 654.130  63.136  906.330  90.316  413.089  88.295  134.491 6.8260 89.705  10.151 44.78583       12.23240  
1 1 1 14  -2  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -2  14 o 105.766 1.7663 552.652  18.439  544.766  25.906  560.750  26.251  104.953 2.5007 106.482 2.4977 -1.528885      3.534431  
1 1 1 14  -2  15 o 104.147 1.6942 535.901  17.416  532.212  24.352  539.763  24.916  103.731 2.3785 104.460 2.4166 -0.7295456     3.390724  
1 1 1 14  -2  16 o 106.170 1.7629 557.098  18.475  572.845  25.621  540.043  26.664  107.592 2.4126 104.445 2.5865 3.146858       3.536992  
1 1 1 14  -2  17 o 47.040  1.4300 109.328  6.6395  113.507  8.0484  100.427  11.747  47.920  1.7016 44.945  2.6599 2.974865       3.157585  
1 1 1 14  -2  18 o 78.966  1.4954 308.166  11.655  303.634  18.545  311.125  14.985  78.297  2.3997 79.309  1.9142 -1.011566      3.069641  
1 1 1 14  -2  19 o 59.262  1.5568 173.600  9.1064  176.996  11.563  168.052  14.777  59.810  1.9586 58.226  2.5712 1.584343       3.232267  
1 1 1 14  -2  20 o 41.273  2.1183 84.566   8.6006  74.127   12.152  95.042   12.174  38.477  3.2297 43.664  2.8401 -5.187778      4.300850  
1 1 1 14  -1  0  o 51.627  1.6194 131.621  8.2520  130.736  11.182  132.679  12.229  51.440  2.2023 51.816  2.3910 -0.3756142     3.250664  
1 1 1 14  -1  1  o 75.800  1.6633 283.735  12.445  290.340  12.763  156.217  56.077  76.676  1.6864 54.656  10.778 22.02000       10.90881  
1 1 1 14  -1  2  o 67.078  1.4775 222.161  9.7821  208.853  13.380  237.442  14.337  65.022  2.0848 69.329  2.0952 -4.307259      2.955700  
1 1 1 14  -1  3  o 152.046 2.2666 1142.21  34.015  1077.20  56.488  1179.19  42.606  147.495 3.8801 154.443 2.7949 -6.947006      4.781932  
1 1 1 14  -1  4  o 85.694  1.4391 362.576  12.173  363.457  17.432  361.738  17.005  85.777  2.0589 85.576  2.0132 0.2013474      2.879660  
1 1 1 14  -1  5  o 52.154  1.0841 134.274  5.5807  133.616  7.8855  134.934  7.8992  52.019  1.5358 52.276  1.5309 -0.2560310     2.168489  
1 1 1 14  -1  6  o 56.684  1.2715 158.627  7.1139  143.344  9.6276  177.006  10.558  53.874  1.8105 59.867  1.7867 -5.992928      2.543679  
1 1 1 14  -1  7  o 152.626 2.2745 1150.94  34.265  1147.20  48.511  1154.68  48.404  152.289 3.2273 152.786 3.2097 -0.4976044     4.551658  
1 1 1 14  -1  8  o 76.901  1.4122 291.982  10.719  283.616  15.522  299.609  14.820  75.771  2.0754 77.883  1.9278 -2.112267      2.832618  
1 1 1 14  -1  9  o 162.222 2.3906 1300.44  38.278  1261.92  53.542  1340.70  54.743  159.696 3.3968 164.609 3.3693 -4.913315      4.784409  
1 1 1 14  -1  10 o 38.070  1.3408 71.557   5.0383  72.041   5.9331  70.305   9.5405  38.196  1.5737 37.626  2.5846 0.5700607      3.026031  
1 1 1 14  -1  11 o 80.830  2.0371 322.762  16.252  284.806  23.068  360.170  22.901  75.879  3.0801 85.352  2.7184 -9.472565      4.108117  
1 1 1 14  -1  12 o 88.375  6.1652 391.018  53.442  427.909  75.756  354.471  75.402  91.917  8.4444 83.346  9.3255 8.570847       12.58064  
1 1 1 14  -1  13 o 107.394 6.1978 577.019  65.419  560.782  92.133  593.530  92.904  105.091 8.9679 108.200 8.7747 -3.108505      12.54666  
1 1 1 14  -1  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  -1  15 o 42.465  1.2738 89.043   5.3392  92.485   7.3486  85.194   7.7705  43.268  1.7207 41.523  1.8960 1.745022       2.560381  
1 1 1 14  -1  16 o 77.700  1.5743 298.250  12.073  297.146  16.183  299.636  18.131  77.525  2.1149 77.832  2.3601 -0.3068924     3.169076  
1 1 1 14  -1  17 o 118.734 1.9879 697.076  23.297  709.626  32.948  684.527  32.946  119.688 2.7890 117.545 2.8397 2.143723       3.980232  
1 1 1 14  -1  18 o 96.793  1.7616 463.186  16.830  483.789  24.115  443.620  23.500  98.838  2.4719 94.640  2.5157 4.197998       3.526926  
1 1 1 14  -1  19 o 118.703 1.9431 697.056  22.767  710.997  31.791  682.380  32.618  119.753 2.6896 117.292 2.8175 2.460846       3.895131  
1 1 1 14  -1  20 o 103.921 1.7970 534.141  18.433  520.402  25.389  549.454  26.805  102.469 2.5103 105.278 2.5795 -2.808868      3.599369  
1 1 1 14  -1  21 o 30.533  1.4967 46.087   4.5107  44.682   4.9254  53.390   11.232  30.011  1.6693 32.547  3.5540 -2.535505      3.926525  
1 1 1 14  0   0  o 84.682  1.5372 354.088  12.848  334.218  17.393  377.955  19.062  82.251  2.1424 87.464  2.2080 -5.213562      3.076544  
1 1 1 14  0   1  o 88.631  1.5009 387.872  13.130  395.146  18.505  380.497  18.633  89.437  2.0962 87.761  2.1510 1.675713       3.003509  
1 1 1 14  0   2  o 145.908 2.0458 1051.60  29.462  972.281  42.148  1127.40  41.200  140.220 3.0453 151.018 2.7640 -10.79826      4.112618  
1 1 1 14  0   3  o 221.963 2.5967 2434.95  56.891  2389.43  80.222  2481.00  80.692  219.715 3.6991 223.894 3.6513 -4.179169      5.197670  
1 1 1 14  0   4  o 96.995  1.4777 464.517  14.147  453.882  20.194  474.767  19.825  95.854  2.1344 98.038  2.0488 -2.184250      2.958572  
1 1 1 14  0   5  o 118.146 1.7698 689.335  20.638  649.877  28.478  732.983  29.951  114.676 2.5159 121.789 2.4916 -7.113358      3.540876  
1 1 1 14  0   6  o 195.909 2.6250 1896.93  50.760  1854.27  71.344  1940.65  72.235  193.548 3.7345 198.011 3.6959 -4.462662      5.254194  
1 1 1 14  0   7  o 87.059  1.4932 374.228  12.831  356.592  18.120  391.962  18.171  84.960  2.1608 89.078  2.0667 -4.117836      2.990045  
1 1 1 14  0   8  o 141.317 2.1375 986.560  29.815  936.830  41.591  1039.13  42.763  137.638 3.0615 144.965 2.9886 -7.327179      4.278375  
1 1 1 14  0   9  o 95.651  1.5710 451.772  14.832  461.348  20.754  441.777  21.204  96.635  2.1759 94.559  2.2719 2.076279       3.145758  
1 1 1 14  0   10 o 159.450 2.2950 1256.22  36.119  1252.26  50.889  1260.24  51.273  159.105 3.2404 159.609 3.2546 -0.5043640     4.592700  
1 1 1 14  0   11 f 58.025  1.4143 166.240  8.1002  162.548  10.446  171.809  12.829  57.368  1.8447 58.969  2.2041 -1.601547      2.874205  
1 1 1 14  0   12 o 181.124 3.7089 1624.42  66.306  1554.45  93.751  1694.44  93.790  176.860 5.3705 184.704 5.1446 -7.844376      7.436987  
1 1 1 14  0   13 o 67.255  6.1212 227.171  40.190  220.590  56.399  233.962  57.286  65.624  8.9397 67.657  8.7857 -2.033257      12.53423  
1 1 1 14  0   14 o 31.874  6.4892 52.519   19.722  72.642   28.752  34.639   27.102  37.343  8.0385 26.774  8.8339 10.56848       11.94379  
1 1 1 14  0   15 o 38.790  1.8311 74.334   7.0108  0.0000   0.0000  74.334   7.0108  ?       ?      38.790  1.8311 0.000000       1.831113  
1 1 1 14  0   16 o 145.845 2.1831 1051.55  31.427  1085.72  44.244  1016.74  44.648  148.080 3.0271 143.279 3.1571 4.801605       4.373835  
1 1 1 14  0   17 o 148.014 2.1002 1083.23  30.682  1073.89  43.310  1092.65  43.473  147.235 2.9802 148.518 2.9656 -1.283432      4.204300  
1 1 1 14  0   18 o 132.232 2.0400 864.765  26.626  844.045  37.117  886.730  38.217  130.501 2.8816 133.758 2.8947 -3.256531      4.084425  
1 1 1 14  0   19 o 100.260 1.8613 497.105  18.420  473.112  25.768  522.176  26.340  97.704  2.6720 102.657 2.5996 -4.952774      3.727915  
1 1 1 14  0   20 o 35.283  1.5233 61.532   5.3052  60.915   5.8795  64.232   12.308  35.100  1.6971 35.762  3.5330 -0.6623535     3.919434  
1 1 1 14  0   21 o 55.682  1.2964 153.194  7.1249  161.625  13.931  150.207  8.2914  57.105  2.4715 55.124  1.5239 1.980869       2.903581  
1 1 1 14  1   0  o 96.564  1.5320 460.427  14.601  458.969  21.400  461.697  19.973  96.382  2.2495 96.676  2.0931 -0.2932587     3.072659  
1 1 1 14  1   1  o 61.209  1.1593 184.954  7.0043  167.527  9.8961  202.448  9.9150  58.244  1.7214 64.031  1.5688 -5.786774      2.329016  
1 1 1 14  1   2  o 184.301 3.2683 1680.12  59.454  1523.13  169.093 1702.27  63.509  173.616 9.9085 185.485 3.4689 -11.86913      10.49813  
1 1 1 14  1   3  o 95.473  1.4742 450.049  13.892  426.941  18.858  477.473  20.544  92.969  2.0550 98.315  2.1170 -5.345345      2.950426  
1 1 1 14  1   4  o 108.948 1.7474 586.157  18.791  567.263  26.100  606.490  27.075  107.143 2.4680 110.785 2.4760 -3.642189      3.495919  
1 1 1 14  1   5  o 92.529  1.5286 422.742  13.960  381.953  18.625  475.036  21.089  87.932  2.1460 98.061  2.1789 -10.12941      3.058204  
1 1 1 14  1   6  f 111.771 1.7678 616.945  19.502  601.109  27.892  632.092  27.279  110.288 2.5623 113.101 2.4436 -2.813568      3.540639  
1 1 1 14  1   7  o 106.067 1.5477 555.497  16.203  560.311  22.635  550.437  23.205  106.501 2.1533 105.554 2.2273 0.9461823      3.097992  
1 1 1 14  1   8  o 97.370  1.7167 468.189  16.499  450.247  22.687  488.332  24.038  95.457  2.4079 99.410  2.4498 -3.953041      3.435044  
1 1 1 14  1   9  o 25.199  1.1672 31.347   2.9032  32.388   3.1874  26.280   7.0332  25.613  1.2608 22.829  3.2100 2.784513       3.448748  
1 1 1 14  1   10 o 155.630 2.4362 1196.89  37.424  1176.99  52.925  1216.79  52.925  154.228 3.4767 156.820 3.4192 -2.592560      4.876307  
1 1 1 14  1   11 o 37.677  0.9996 70.073   3.7172  67.532   4.6514  74.564   6.1838  36.985  1.2742 38.859  1.6122 -1.873611      2.054950  
1 1 1 14  1   12 o 114.970 2.0978 653.004  23.806  637.180  29.084  685.131  41.439  113.538 2.5952 117.651 3.5684 -4.112976      4.412366  
1 1 1 14  1   13 o 130.095 6.3568 843.488  81.627  855.107  115.528 831.905  115.347 130.042 9.0571 128.218 9.1750 1.824554       12.89228  
1 1 1 14  1   14 o 143.221 6.4376 1023.20  91.005  1026.18  128.758 1020.22  128.642 142.362 9.2126 141.938 9.2325 0.4241943      13.04263  
1 1 1 14  1   15 o 117.469 6.2738 690.507  72.480  711.850  102.760 669.377  102.245 118.482 8.8509 114.787 9.0989 3.694870       12.69363  
1 1 1 14  1   16 o 74.459  1.8641 273.921  13.700  267.725  19.219  280.322  19.534  73.571  2.6467 75.283  2.6289 -1.711983      3.730395  
1 1 1 14  1   17 o 57.108  1.2675 161.048  7.1443  169.851  9.9756  151.779  10.237  58.632  1.7237 55.420  1.8713 3.212490       2.544239  
1 1 1 14  1   18 o 90.673  1.7635 406.320  15.783  391.502  22.022  421.968  22.631  88.940  2.5086 92.338  2.4831 -3.398399      3.529678  
1 1 1 14  1   19 o 142.823 2.4622 1010.03  34.710  968.152  58.842  1032.38  42.985  139.369 4.2775 144.275 3.0185 -4.906555      5.235298  
1 1 1 14  1   20 o 98.015  1.8258 475.103  17.663  469.135  23.788  482.437  26.370  97.313  2.4766 98.646  2.7083 -1.333221      3.669952  
1 1 1 14  1   21 o 27.956  1.3352 38.615   3.6843  32.114   12.046  39.286   3.8698  24.861  5.0806 28.196  1.3905 -3.335241      5.267439  
1 1 1 14  1   22 o 23.199  3.8544 27.548   8.5162  20.114   11.513  36.533   12.656  19.710  5.6350 26.545  5.0140 -6.835318      7.542781  
1 1 1 14  2   0  o 49.591  1.3069 121.415  6.3970  117.892  8.4632  126.109  9.7702  48.859  1.7549 50.529  1.9590 -1.669846      2.630084  
1 1 1 14  2   1  o 124.206 1.8509 761.910  22.691  746.869  33.597  774.524  30.768  122.918 2.7692 125.193 2.4899 -2.274544      3.724010  
1 1 1 14  2   2  o 86.668  1.4414 370.857  12.331  343.470  16.995  401.302  17.918  83.387  2.0648 90.136  2.0140 -6.749107      2.884362  
1 1 1 14  2   3  o 48.498  2.0406 116.178  9.7681  0.0000   0.0000  116.178  9.7681  ?       ?      48.498  2.0406 0.000000       2.040585  
1 1 1 14  2   4  o 143.512 2.0828 1017.34  29.503  1014.27  40.949  1020.66  42.543  143.235 2.8964 143.676 2.9999 -0.4410706     4.169973  
1 1 1 14  2   5  o 191.116 2.7736 1805.43  52.321  1732.31  70.419  1895.55  78.173  187.074 3.8136 195.653 4.0480 -8.578918      5.561471  
1 1 1 14  2   6  o 69.251  1.3453 236.768  9.1956  232.004  12.292  242.821  13.857  68.541  1.8170 70.115  2.0023 -1.574539      2.703800  
1 1 1 14  2   7  o 133.205 1.9537 876.372  25.687  876.948  35.641  875.749  37.054  133.201 2.7109 133.101 2.8204 0.9941101E-01  3.911978  
1 1 1 14  2   8  o 97.692  1.6364 471.264  15.779  477.347  22.031  464.858  22.610  98.295  2.2707 96.996  2.3616 1.298676       3.276194  
1 1 1 14  2   9  o 111.137 1.6643 609.925  18.257  575.848  25.816  644.023  25.823  107.953 2.4228 114.172 2.2915 -6.219078      3.334773  
1 1 1 14  2   10 o 55.889  1.0274 154.187  5.6677  167.182  8.0115  141.167  8.0191  58.191  1.3948 53.470  1.5194 4.720940       2.062597  
1 1 1 14  2   11 o 198.276 2.5547 1942.96  49.997  1886.08  70.433  2000.72  70.983  195.206 3.6555 201.064 3.5768 -5.857300      5.114276  
1 1 1 14  2   12 o 188.420 2.6533 1754.88  49.345  1710.81  69.659  1799.26  69.910  185.885 3.7966 190.643 3.7153 -4.757584      5.312032  
1 1 1 14  2   13 o 173.178 2.2640 1481.88  38.700  1526.93  54.890  1437.35  54.571  175.690 3.1653 170.448 3.2436 5.241653       4.532121  
1 1 1 14  2   14 o 73.288  6.1436 269.386  44.032  276.186  62.573  262.715  61.971  73.615  8.7853 71.730  8.9475 1.884277       12.53950  
1 1 1 14  2   15 o 171.555 6.7649 1470.27  114.551 1492.27  162.107 1448.33  161.892 171.531 9.6135 168.913 9.7517 2.617645       13.69358  
1 1 1 14  2   16 o 44.480  1.4820 97.706   6.5064  100.852  9.1949  94.552   9.2080  45.177  2.0620 43.741  2.1328 1.435623       2.966596  
1 1 1 14  2   17 o 104.473 1.8716 539.301  19.300  523.207  27.700  554.484  26.904  102.832 2.7291 105.876 2.5745 -3.043938      3.751817  
1 1 1 14  2   18 o 88.975  1.5234 391.071  13.378  388.196  18.876  393.974  18.965  88.605  2.1583 89.263  2.1525 -0.6574097     3.048180  
1 1 1 14  2   19 o 72.229  1.5488 257.775  11.042  259.569  17.732  256.638  14.112  72.412  2.4809 72.042  1.9846 0.3706131      3.176998  
1 1 1 14  2   20 o 87.638  1.7889 379.755  15.474  395.292  22.259  365.223  21.527  89.330  2.5245 85.863  2.5400 3.466774       3.581153  
1 1 1 14  2   21 o 85.265  1.6702 359.442  14.056  374.643  19.518  343.066  20.259  86.982  2.2734 83.211  2.4666 3.771042       3.354490  
1 1 1 14  2   22 o 103.997 1.8581 535.053  19.073  541.100  25.306  527.099  29.021  104.489 2.4537 103.051 2.8531 1.437218       3.763131  
1 1 1 14  3   0  o 63.740  1.2516 200.576  7.8740  187.184  11.012  214.585  11.263  61.564  1.8123 65.919  1.7311 -4.354393      2.506165  
1 1 1 14  3   1  o 105.500 1.6980 549.637  17.682  542.359  24.388  557.702  25.674  104.770 2.3583 106.237 2.4484 -1.466675      3.399433  
1 1 1 14  3   2  o 157.955 2.6234 1233.08  40.900  1192.48  56.689  1277.16  59.068  155.224 3.7000 160.637 3.7254 -5.413696      5.250576  
1 1 1 14  3   3  o 238.514 3.4338 2814.38  80.839  2752.92  117.203 2870.14  111.646 235.568 5.0407 240.612 4.7010 -5.044327      6.892620  
1 1 1 14  3   4  o 90.738  8.6486 416.088  76.521  0.0000   0.0000  416.088  76.521  ?       ?      90.738  8.6486 0.000000       8.648601  
1 1 1 14  3   5  o 201.348 3.2234 2004.99  64.062  1991.94  85.919  2021.34  96.133  200.519 4.3411 201.903 4.8239 -1.384140      6.489606  
1 1 1 14  3   6  o 57.377  1.2556 162.522  7.1106  154.421  9.5621  172.543  10.635  55.920  1.7324 59.109  1.8229 -3.188198      2.514789  
1 1 1 14  3   7  o 193.327 3.3418 1848.75  63.768  1818.92  75.720  1921.50  118.253 191.666 4.0025 196.574 6.0947 -4.907806      7.291460  
1 1 1 14  3   8  o 74.661  1.4732 275.223  10.856  274.216  14.847  276.379  15.915  74.510  2.0188 74.799  2.1556 -0.2888794     2.953336  
1 1 1 14  3   9  o 60.543  1.0570 180.936  6.3162  171.944  8.8431  190.302  9.0245  59.012  1.5182 62.083  1.4727 -3.071331      2.115148  
1 1 1 14  3   10 o 179.988 2.4628 1600.83  43.753  1565.43  59.654  1642.04  64.365  177.883 3.3976 182.160 3.5798 -4.276306      4.935477  
1 1 1 14  3   11 o 112.499 1.7922 625.031  19.901  631.837  28.041  618.124  28.248  113.072 2.5125 111.836 2.5591 1.236542       3.586273  
1 1 1 14  3   12 o 38.964  1.4307 74.959   5.5023  93.012   14.092  71.711   5.9767  43.233  3.3280 38.108  1.5889 5.124218       3.687825  
1 1 1 14  3   13 o 87.801  1.5785 380.674  13.680  374.602  19.347  386.746  19.347  87.073  2.2511 88.474  2.2154 -1.401672      3.158407  
1 1 1 14  3   14 o 195.923 6.9664 1916.60  134.718 1932.41  190.573 1900.81  190.467 195.339 9.9167 193.691 9.9968 1.648132       14.08105  
1 1 1 14  3   15 o 131.000 6.3293 855.660  81.839  925.576  116.077 786.558  115.401 135.360 8.7347 124.483 9.4630 10.87620       12.87801  
1 1 1 14  3   16 o 150.807 6.5008 1135.76  96.766  1212.38  137.128 1059.75  136.570 154.728 9.0180 144.364 9.6398 10.36450       13.20034  
1 1 1 14  3   17 o 96.777  1.7505 462.671  16.722  459.339  22.821  466.535  24.572  96.386  2.3987 97.126  2.5631 -0.7394028     3.510483  
1 1 1 14  3   18 o 102.556 1.8159 519.717  18.381  530.271  25.590  508.467  26.420  103.534 2.5041 101.370 2.6405 2.164291       3.639099  
1 1 1 14  3   19 o 47.101  1.2156 109.560  5.6512  108.144  7.8343  111.096  8.1598  46.781  1.6967 47.413  1.7436 -0.6325951     2.432867  
1 1 1 14  3   20 o 92.127  2.0174 419.805  18.345  444.862  28.724  402.543  23.841  94.698  3.0731 90.136  2.6797 4.561081       4.077330  
1 1 1 14  3   21 o 12.944  4.7443 6.7542   7.9289  9.9717   10.393  2.2729   12.265  15.226  5.4523 13.448  5.5934 1.778703       7.811114  
1 1 1 14  3   22 o 84.393  1.9502 352.399  16.245  344.334  22.524  361.142  23.452  83.317  2.7389 85.319  2.7849 -2.001900      3.906051  
1 1 1 14  3   23 o 54.403  2.2370 146.624  12.012  136.679  16.731  157.204  17.257  52.317  3.2562 56.146  3.1264 -3.829018      4.514090  
1 1 1 14  4   0  o 118.358 1.7139 691.794  20.022  681.204  28.308  702.396  28.323  117.410 2.4427 119.224 2.4068 -1.814529      3.429214  
1 1 1 14  4   1  o 80.667  1.5371 321.303  12.239  328.204  17.131  314.110  17.491  81.510  2.1293 79.737  2.2224 1.772858       3.077810  
1 1 1 14  4   2  o 146.454 2.4282 1059.82  35.101  1009.20  60.016  1086.14  43.273  142.732 4.2600 148.217 2.9579 -5.485123      5.186264  
1 1 1 14  4   3  o 146.547 2.1059 1060.84  30.461  1013.72  41.943  1113.43  44.311  143.191 2.9676 150.066 2.9915 -6.874878      4.213810  
1 1 1 14  4   4  o 286.540 4.3151 4067.40  122.042 4055.42  172.597 4079.38  172.591 285.572 6.1233 286.421 6.1049 -0.8488464     8.646663  
1 1 1 14  4   5  o 90.395  2.1295 403.634  19.000  403.634  19.000  0.0000   0.0000  90.395  2.1295 ?       ?      0.000000       2.129469  
1 1 1 14  4   6  o 35.967  1.0964 63.857   3.8924  57.619   5.3265  71.005   5.7021  34.160  1.5797 37.922  1.5234 -3.761719      2.194601  
1 1 1 14  4   7  o 36.985  0.9837 67.520   3.5909  69.001   4.5135  64.966   5.9271  37.386  1.2231 36.272  1.6555 1.114098       2.058366  
1 1 1 14  4   8  o 113.021 1.7528 630.810  19.553  609.766  27.277  653.053  28.044  111.085 2.4878 114.961 2.4714 -3.876335      3.506707  
1 1 1 14  4   9  o 147.669 2.3207 1077.38  33.825  1091.86  47.504  1062.48  48.175  148.579 3.2392 146.558 3.3302 2.021149       4.645731  
1 1 1 14  4   10 o 38.616  1.1855 73.614   4.5185  80.407   6.4998  67.261   6.2857  40.353  1.6319 36.906  1.7256 3.447021       2.375001  
1 1 1 14  4   11 o 116.969 1.9060 675.747  22.006  670.416  30.190  681.791  32.144  116.466 2.6262 117.440 2.7730 -0.9739685     3.819211  
1 1 1 14  4   12 o 156.125 2.3457 1204.40  36.147  1213.54  49.261  1193.75  53.207  156.636 3.1862 155.321 3.4706 1.314651       4.711406  
1 1 1 14  4   13 o 100.353 2.0894 497.497  20.696  502.761  33.999  494.399  26.085  100.799 3.4173 100.010 2.6425 0.7886200      4.319812  
1 1 1 14  4   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  4   15 o 12.654  5.4926 -2.0138  12.729  -2.0138  12.729  0.0000   0.0000  12.654  5.4926 ?       ?      0.000000       5.492643  
1 1 1 14  4   16 o 92.233  8.6942 431.987  78.216  431.987  78.216  0.0000   0.0000  92.233  8.6942 ?       ?      0.000000       8.694234  
1 1 1 14  4   17 o 144.617 2.2217 1033.70  31.713  1027.10  43.781  1040.99  45.999  144.056 3.0791 145.008 3.2138 -0.9523468     4.450777  
1 1 1 14  4   18 o 35.560  0.8747 62.424   3.0700  63.999   4.3345  60.839   4.3488  36.002  1.2198 35.101  1.2552 0.9006310      1.750255  
1 1 1 14  4   19 o 115.636 2.0125 661.045  22.971  695.795  33.378  629.780  31.660  118.534 2.8529 112.772 2.8443 5.762009       4.028560  
1 1 1 14  4   20 o 79.995  1.8399 316.359  14.527  321.266  20.825  311.707  20.275  80.541  2.6196 79.337  2.5891 1.204018       3.683153  
1 1 1 14  4   21 o 75.539  2.2925 282.505  17.093  274.544  19.765  306.114  34.038  74.422  2.6907 78.172  4.4297 -3.750084      5.182858  
1 1 1 14  4   22 o 88.429  1.7451 386.699  15.231  408.377  20.812  361.699  22.350  90.802  2.3222 85.409  2.6513 5.393494       3.524437  
1 1 1 14  4   23 o 46.727  1.3093 107.888  6.0386  121.574  8.8978  96.202   8.2220  49.573  1.8185 44.094  1.8892 5.479343       2.622165  
1 1 1 14  5   0  o 82.812  1.4099 338.592  11.524  344.388  16.047  332.419  16.561  83.501  1.9470 82.033  2.0453 1.467468       2.823866  
1 1 1 14  5   1  o 70.793  1.3789 247.432  9.6349  254.398  13.399  239.975  13.864  71.769  1.8915 69.702  2.0152 2.067642       2.763839  
1 1 1 14  5   2  o 23.974  2.3432 28.669   5.4739  30.161   7.9666  27.334   7.5339  24.461  3.3909 23.265  3.3797 1.195263       4.787508  
1 1 1 14  5   3  o 69.554  1.3775 238.848  9.4568  224.301  12.666  257.174  14.216  67.391  1.9041 72.158  1.9960 -4.766899      2.758563  
1 1 1 14  5   4  o 184.656 2.8036 1685.48  51.098  1581.27  71.635  1793.44  72.910  178.698 4.0614 190.338 3.8809 -11.63940      5.617452  
1 1 1 14  5   5  o 186.087 3.1608 1712.45  58.056  1667.04  82.101  1757.86  82.106  183.406 4.5353 188.356 4.4164 -4.950073      6.330322  
1 1 1 14  5   6  o 113.729 2.8135 639.359  31.583  639.359  31.583  0.0000   0.0000  113.729 2.8135 ?       ?      0.000000       2.813507  
1 1 1 14  5   7  o 114.135 1.8848 643.367  21.233  638.784  29.496  648.296  30.591  113.689 2.6285 114.528 2.7062 -0.8384781     3.772589  
1 1 1 14  5   8  o 99.867  1.7218 492.508  16.973  520.975  24.676  466.946  23.382  102.682 2.4347 97.211  2.4369 5.470184       3.444731  
1 1 1 14  5   9  o 91.463  1.6162 413.076  14.590  430.806  20.960  396.409  20.322  93.380  2.2741 89.574  2.2986 3.806564       3.233396  
1 1 1 14  5   10 o 66.456  1.1859 218.019  7.7785  204.576  11.121  230.895  10.884  64.363  1.7506 68.381  1.6125 -4.018303      2.380069  
1 1 1 14  5   11 o 222.915 3.1958 2457.71  70.316  2451.57  104.376 2462.81  95.148  222.341 4.7561 222.944 4.3238 -0.6026306     6.427746  
1 1 1 14  5   12 o 91.218  1.6622 410.894  14.966  399.597  20.943  422.682  21.394  89.928  2.3594 92.490  2.3435 -2.561867      3.325482  
1 1 1 14  5   13 o 23.445  1.2861 27.219   2.9647  28.271   3.0839  14.387   10.768  23.894  1.3127 17.259  5.5601 6.634480       5.712949  
1 1 1 14  5   14 o 96.409  2.4430 459.359  23.247  474.686  34.049  445.974  31.818  97.931  3.5225 94.932  3.3956 2.998116       4.892685  
1 1 1 14  5   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  5   16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  5   17 o 179.044 3.6978 1588.42  65.348  1588.42  65.348  0.0000   0.0000  179.044 3.6978 ?       ?      0.000000       3.697779  
1 1 1 14  5   18 o 30.677  1.2077 46.466   3.6569  29.516   5.1109  64.248   5.2347  24.342  2.1493 36.068  1.4704 -11.72556      2.604108  
1 1 1 14  5   19 o 122.976 2.0728 747.629  25.160  730.024  35.425  765.549  35.740  121.411 2.9561 124.337 2.9122 -2.925392      4.149645  
1 1 1 14  5   20 o 113.410 1.9310 635.898  21.615  642.961  30.356  628.633  30.786  113.941 2.6992 112.654 2.7687 1.286972       3.866660  
1 1 1 14  5   21 o 46.235  1.0895 105.571  4.9718  96.366   6.3006  120.764  8.0940  44.162  1.4455 49.428  1.6591 -5.265869      2.200414  
1 1 1 14  5   22 o 40.181  1.6347 79.822   6.4831  76.022   7.1897  96.352   14.996  39.203  1.8581 43.873  3.4919 -4.669819      3.955439  
1 1 1 14  5   23 o 98.399  1.9822 479.180  19.251  491.172  28.753  469.436  25.918  99.458  2.9289 97.277  2.6994 2.180992       3.983133  
1 1 1 14  5   24 o 55.369  2.3272 151.960  12.719  150.588  19.558  152.966  16.742  54.830  3.6345 55.379  3.0750 -0.5480881     4.760769  
1 1 1 14  6   0  o 196.704 2.4696 1912.20  47.949  1956.38  67.934  1868.34  67.687  198.830 3.4616 194.294 3.5295 4.536179       4.943671  
1 1 1 14  6   1  o 67.603  1.4366 225.648  9.5862  219.700  13.505  231.690  13.610  66.690  2.0516 68.487  2.0133 -1.796791      2.874423  
1 1 1 14  6   2  o 138.826 2.0224 951.974  27.712  965.109  38.328  937.587  40.114  139.727 2.7791 137.706 2.9513 2.021103       4.053833  
1 1 1 14  6   3  o 100.765 1.6423 501.384  16.334  501.071  23.070  501.700  23.130  100.706 2.3209 100.769 2.3255 -0.6295776E-01 3.285501  
1 1 1 14  6   4  o 77.311  1.4462 295.099  11.036  293.138  15.106  297.344  16.161  77.038  1.9867 77.585  2.1103 -0.5467072     2.898326  
1 1 1 14  6   5  o 166.986 2.5756 1378.02  42.452  1308.45  59.395  1450.68  60.699  162.598 3.7009 171.222 3.5916 -8.623749      5.157122  
1 1 1 14  6   6  f 149.324 2.3240 1101.65  34.253  1113.14  48.227  1089.96  48.657  150.020 3.2569 148.444 3.3209 1.576157       4.651404  
1 1 1 14  6   7  o 125.106 2.1721 773.184  26.822  775.453  37.932  770.914  37.931  125.229 3.0688 124.861 3.0778 0.3677979      4.346288  
1 1 1 14  6   8  o 56.732  1.2839 158.892  7.1892  158.259  9.9195  159.592  10.434  56.610  1.7753 56.846  1.8596 -0.2360649     2.570946  
1 1 1 14  6   9  o 69.696  1.5406 239.847  10.598  238.861  15.146  240.793  14.834  69.534  2.2068 69.817  2.1527 -0.2823868     3.082840  
1 1 1 14  6   10 o 98.341  1.7045 477.571  16.545  474.586  23.030  480.755  23.785  98.004  2.3808 98.636  2.4431 -0.6318436     3.411276  
1 1 1 14  6   11 o 207.645 2.6039 2131.00  53.369  2114.64  75.446  2147.39  75.503  206.693 3.6981 208.292 3.6725 -1.598633      5.211813  
1 1 1 14  6   12 o 200.804 2.6717 1993.11  52.954  2040.94  77.953  1952.13  72.158  203.021 3.8901 198.589 3.6813 4.431992       5.355815  
1 1 1 14  6   13 o 57.213  1.4582 161.621  8.2347  154.603  10.593  172.339  13.092  55.947  1.9182 59.060  2.2458 -3.112816      2.953486  
1 1 1 14  6   14 o 115.709 2.6313 661.829  30.052  669.943  45.361  655.482  40.120  116.297 3.9517 115.078 3.5322 1.219574       5.300181  
1 1 1 14  6   15 o 96.962  8.7680 476.445  83.006  0.0000   0.0000  476.445  83.006  ?       ?      96.962  8.7680 0.000000       8.767990  
1 1 1 14  6   16 o 51.305  8.9636 136.277  43.739  0.0000   0.0000  136.277  43.739  ?       ?      51.305  8.9636 0.000000       8.963614  
1 1 1 14  6   17 o 158.282 2.4884 1238.63  38.876  1187.65  56.637  1284.06  53.459  154.822 3.7062 161.039 3.3632 -6.217529      5.004752  
1 1 1 14  6   18 f 117.425 1.9422 681.335  22.511  664.840  32.563  696.433  31.154  115.913 2.8462 118.655 2.6601 -2.741974      3.895741  
1 1 1 14  6   19 o 77.978  1.5980 300.384  12.299  299.233  17.254  301.572  17.537  77.791  2.2471 78.093  2.2751 -0.3016663     3.197761  
1 1 1 14  6   20 o 62.313  1.6234 191.863  9.9851  192.649  12.095  190.180  17.694  62.423  1.9630 61.957  2.8934 0.4658432      3.496429  
1 1 1 14  6   21 o 80.876  1.8067 323.401  14.423  315.679  19.847  332.042  20.995  79.836  2.5186 81.870  2.5981 -2.033714      3.618502  
1 1 1 14  6   22 o 40.618  2.7027 82.167   10.774  89.035   16.383  76.934   14.301  42.073  3.9929 39.129  3.7486 2.943562       5.476856  
1 1 1 14  6   23 o 109.373 1.9929 592.031  21.515  579.677  30.777  603.836  30.088  108.059 2.8856 110.315 2.7633 -2.255661      3.995262  
1 1 1 14  6   24 o 41.949  3.3595 88.159   13.793  85.700   20.597  90.159   18.573  40.928  5.2173 42.172  4.5331 -1.243938      6.911518  
1 1 1 14  7   0  o 216.132 2.9114 2310.03  62.109  2286.30  87.512  2334.12  88.162  214.801 4.1276 217.038 4.1154 -2.237289      5.828670  
1 1 1 14  7   1  o 63.844  1.3183 201.237  8.3077  209.012  11.529  192.840  11.982  65.054  1.7955 62.483  1.9428 2.571163       2.645420  
1 1 1 14  7   2  o 163.300 2.0668 1317.28  33.314  1315.22  47.107  1319.34  47.118  163.096 2.9263 163.351 2.9224 -0.2558441     4.135603  
1 1 1 14  7   3  o 143.018 2.1749 1010.47  30.702  1004.80  45.477  1015.22  41.617  142.530 3.2326 143.294 2.9424 -0.7642365     4.371236  
1 1 1 14  7   4  o 130.214 2.0351 837.529  26.156  856.388  39.012  822.130  35.254  131.605 3.0033 128.964 2.7695 2.640869       4.085331  
1 1 1 14  7   5  o 64.118  1.3568 202.968  8.5865  204.149  12.028  201.741  12.261  64.292  1.8955 63.911  1.9437 0.3815041      2.714901  
1 1 1 14  7   6  o 124.033 2.0163 759.888  24.685  793.843  34.802  725.507  35.019  126.726 2.7823 121.138 2.9288 5.587715       4.039703  
1 1 1 14  7   7  o 171.817 3.7481 1461.20  63.564  0.0000   0.0000  1461.20  63.564  ?       ?      171.817 3.7481 0.000000       3.748105  
1 1 1 14  7   8  o 67.120  1.3221 222.414  8.7591  231.462  11.991  212.062  12.825  68.461  1.7745 65.524  1.9831 2.937180       2.661094  
1 1 1 14  7   9  o 59.277  1.5751 173.502  9.2158  183.130  13.127  164.143  12.942  60.885  2.1843 57.640  2.2748 3.244972       3.153670  
1 1 1 14  7   10 o 122.395 2.0053 739.958  24.225  742.222  34.087  737.648  34.435  122.530 2.8185 122.149 2.8561 0.3809357      4.012602  
1 1 1 14  7   11 o 167.445 2.4506 1385.53  40.502  1375.33  56.499  1396.32  58.091  166.722 3.4333 167.980 3.5036 -1.258041      4.905388  
1 1 1 14  7   12 o 38.350  2.1124 72.876   7.9651  70.164   11.046  75.814   11.496  37.548  3.0056 39.040  3.0066 -1.491840      4.251268  
1 1 1 14  7   13 o 82.116  1.5546 332.963  12.600  320.321  18.015  345.071  17.631  80.516  2.2668 83.575  2.1373 -3.058212      3.115495  
1 1 1 14  7   14 o 180.303 6.7897 1622.03  120.834 1668.64  170.906 1575.44  170.866 181.671 9.5646 176.382 9.8539 5.289139       13.73249  
1 1 1 14  7   15 o 95.953  6.1301 460.460  57.754  458.851  81.677  462.070  81.677  95.125  8.7988 95.470  8.7655 -0.3447647     12.41986  
1 1 1 14  7   16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  7   17 o 87.919  1.6114 381.761  13.983  388.329  20.092  375.592  19.474  88.638  2.2965 87.174  2.2633 1.463821       3.224321  
1 1 1 14  7   18 o 40.567  3.0365 81.912   12.070  90.127   21.646  78.205   14.541  42.219  5.3121 39.540  3.7716 2.679432       6.514893  
1 1 1 14  7   19 o 175.011 2.5394 1515.25  43.866  1455.50  61.321  1577.88  62.778  171.310 3.6265 178.381 3.5655 -7.071228      5.085735  
1 1 1 14  7   20 o 61.769  1.4848 188.482  9.0523  190.769  13.084  186.383  12.538  62.110  2.1342 61.395  2.0689 0.7145042      2.972420  
1 1 1 14  7   21 o 142.479 2.1565 1004.39  30.327  995.356  42.966  1013.35  42.813  141.653 3.0730 142.937 3.0346 -1.284012      4.318815  
1 1 1 14  7   22 o 89.433  1.8722 395.624  16.527  413.390  25.522  382.794  21.689  91.287  2.8325 87.894  2.5000 3.393105       3.778001  
1 1 1 14  7   23 o 126.703 2.0860 794.744  26.088  786.555  37.243  802.633  36.555  125.841 2.9984 127.144 2.9129 -1.302521      4.180340  
1 1 1 14  7   24 o 45.306  6.6002 106.671  28.648  118.157  40.450  95.111   40.579  46.776  9.0886 41.546  10.013 5.230473       13.52285  
1 1 1 14  8   0  f 119.910 1.6495 710.090  19.523  718.080  27.559  702.041  27.660  120.542 2.3163 119.186 2.3512 1.356255       3.300526  
1 1 1 14  8   1  o 38.706  1.6635 73.984   6.3552  78.596   8.8169  68.997   9.1687  39.820  2.2525 37.279  2.5063 2.540558       3.369810  
1 1 1 14  8   2  o 128.303 1.7459 812.983  22.110  812.752  30.804  813.229  31.756  128.243 2.4335 128.276 2.5081 -0.3225708E-01 3.494635  
1 1 1 14  8   3  o 175.720 2.7011 1526.32  46.848  1539.07  65.866  1513.26  66.648  176.317 3.7847 174.820 3.8624 1.496170       5.407651  
1 1 1 14  8   4  o 91.706  1.6473 415.296  14.911  397.070  22.053  430.643  20.237  89.638  2.4926 93.364  2.1961 -3.726654      3.322000  
1 1 1 14  8   5  o 99.152  1.6974 485.483  16.612  472.118  24.270  497.263  22.785  97.742  2.5157 100.322 2.3010 -2.580154      3.409323  
1 1 1 14  8   6  o 92.011  1.6182 418.048  14.696  442.828  20.543  392.074  21.032  94.676  2.1983 89.077  2.3921 5.599136       3.248817  
1 1 1 14  8   7  o 158.398 2.4659 1239.84  38.553  1236.58  54.205  1243.19  54.844  158.088 3.4738 158.507 3.5055 -0.4181061     4.935164  
1 1 1 14  8   8  o 218.731 4.2691 2370.39  92.168  0.0000   0.0000  2370.39  92.168  ?       ?      218.731 4.2691 0.000000       4.269117  
1 1 1 14  8   9  o 74.661  1.5514 275.241  11.433  287.093  16.317  263.813  16.023  76.232  2.1686 73.074  2.2215 3.158028       3.104509  
1 1 1 14  8   10 o 140.964 2.8061 982.353  39.044  985.345  47.819  976.370  67.623  141.118 3.4331 140.288 4.8836 0.8292999      5.969576  
1 1 1 14  8   11 o 351.947 4.7354 6143.66  164.502 6138.79  232.652 6148.52  232.630 350.924 6.7168 351.205 6.7108 -0.2810974     9.494706  
1 1 1 14  8   12 o 62.537  1.6202 193.127  10.001  203.529  14.212  182.922  14.077  64.182  2.2434 60.843  2.3440 3.339115       3.244563  
1 1 1 14  8   13 o 36.714  1.1667 66.544   4.2279  63.198   6.0209  69.799   5.9382  35.773  1.7052 37.596  1.6002 -1.823326      2.338472  
1 1 1 14  8   14 o 14.285  4.9868 8.9942   8.6490  10.888   12.278  7.1294   12.185  16.306  5.9149 14.974  5.7934 1.332189       8.279531  
1 1 1 14  8   15 o 47.737  6.0765 115.296  27.982  117.333  39.588  113.261  39.557  47.587  8.7509 46.699  8.9069 0.8872414      12.48645  
1 1 1 14  8   16 o 88.925  2.5329 390.930  22.231  405.643  30.841  375.016  32.074  90.516  3.4521 87.008  3.7348 3.507912       5.085821  
1 1 1 14  8   17 o 219.763 3.3319 2391.20  72.274  2428.95  102.203 2353.44  102.218 221.143 4.6823 217.656 4.7580 3.487030       6.675487  
1 1 1 14  8   18 o 54.484  2.1835 146.726  11.742  164.572  16.692  129.242  16.522  57.591  2.9463 50.978  3.3013 6.612381       4.424799  
1 1 1 14  8   19 o 69.893  1.9168 241.418  13.223  278.415  61.323  239.614  13.542  73.640  8.5987 69.629  1.9704 4.011620       8.821539  
1 1 1 14  8   20 o 141.010 2.4963 984.029  34.744  992.151  59.408  979.807  42.832  141.217 4.2621 140.605 3.0863 0.6127625      5.262207  
1 1 1 14  8   21 o 66.863  2.0968 221.152  13.838  201.051  20.760  237.224  18.563  63.554  3.3209 69.194  2.7180 -5.640629      4.291358  
1 1 1 14  8   22 o 28.164  1.0794 39.175   3.0006  39.387   4.3353  38.980   4.1574  28.185  1.5645 28.043  1.5075 0.1417217      2.172598  
1 1 1 14  8   23 o 43.636  1.2339 94.073   5.3145  82.995   7.5875  104.743  7.4461  40.956  1.8769 46.024  1.6391 -5.068066      2.491892  
1 1 1 14  8   24 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  8   25 o 38.707  5.0485 76.792   18.829  71.770   36.478  78.615   21.983  35.976  9.9418 38.915  5.9091 -2.938625      11.56533  
1 1 1 14  9   0  o 112.592 6.2278 634.195  68.942  644.020  97.698  624.449  97.302  112.697 8.8542 110.925 8.9637 1.772186       12.59939  
1 1 1 14  9   1  o 41.433  1.0039 84.745   4.1058  83.593   5.2211  86.613   6.6465  41.147  1.2855 41.879  1.6079 -0.7315292     2.058636  
1 1 1 14  9   2  o 105.029 1.5501 544.716  16.069  558.085  23.030  532.031  22.433  106.279 2.1954 103.769 2.1902 2.510109       3.101102  
1 1 1 14  9   3  o 91.985  1.6240 417.829  14.745  436.544  21.883  402.266  19.955  93.990  2.3588 90.230  2.2406 3.759872       3.253284  
1 1 1 14  9   4  o 121.583 1.9147 730.145  22.978  773.311  31.777  682.837  33.266  125.084 2.5738 117.518 2.8679 7.565849       3.853503  
1 1 1 14  9   5  o 90.072  1.5891 400.617  14.128  422.178  20.444  380.910  19.546  92.439  2.2407 87.804  2.2553 4.634811       3.179174  
1 1 1 14  9   6  o 75.012  1.7030 277.873  12.609  271.719  20.564  281.580  15.962  74.136  2.8102 75.497  2.1420 -1.360847      3.533486  
1 1 1 14  9   7  o 60.576  1.3365 181.165  7.9910  181.687  10.006  180.246  13.277  60.656  1.6713 60.401  2.2271 0.2554359      2.784446  
1 1 1 14  9   8  o 204.482 2.9584 2067.53  59.710  2092.36  88.811  2047.04  80.662  205.470 4.3791 203.300 4.0197 2.170074       5.944322  
1 1 1 14  9   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  9   10 o 73.699  1.4369 268.183  10.453  266.212  14.457  270.341  15.132  73.412  1.9951 73.977  2.0724 -0.5644836     2.876642  
1 1 1 14  9   11 o 52.063  1.9822 133.893  10.186  140.542  12.705  121.928  17.043  53.329  2.4137 49.512  3.5101 3.817024       4.259891  
1 1 1 14  9   12 o 25.357  1.1129 31.740   2.7854  19.552   3.8142  45.669   4.0774  19.797  1.9785 30.414  1.3583 -10.61692      2.399841  
1 1 1 14  9   13 o 41.298  2.0623 84.257   8.4065  77.431   11.745  91.429   12.038  39.450  3.0396 42.905  2.8589 -3.455193      4.172875  
1 1 1 14  9   14 o 228.143 7.2991 2602.90  164.366 2572.58  232.359 2633.26  232.539 225.264 10.450 227.972 10.334 -2.708130      14.69728  
1 1 1 14  9   15 o 52.620  6.0399 139.707  30.802  117.495  43.426  162.195  43.696  47.416  9.6079 56.303  8.0955 -8.886787      12.56383  
1 1 1 14  9   16 o 250.128 3.0982 3095.85  76.489  3106.13  108.190 3085.58  108.153 250.212 4.3807 249.378 4.3938 0.8331451      6.204585  
1 1 1 14  9   17 o 95.699  1.8135 452.421  17.130  462.060  23.438  441.369  25.098  96.673  2.4563 94.467  2.6917 2.206276       3.643987  
1 1 1 14  9   18 o 58.490  2.1112 169.083  12.188  177.695  17.390  160.770  17.087  59.919  2.9404 56.907  3.0531 3.012325       4.238842  
1 1 1 14  9   19 o 78.853  1.6634 307.178  12.946  340.744  19.933  282.689  17.026  83.000  2.4331 75.609  2.2814 7.390274       3.335360  
1 1 1 14  9   20 o 44.312  6.3089 100.494  26.815  100.587  37.884  100.401  37.960  43.596  9.0979 43.548  9.1234 0.4793549E-01  12.88446  
1 1 1 14  9   21 o 104.941 2.0994 544.773  21.746  540.110  32.237  548.667  29.457  104.340 3.1302 105.213 2.8365 -0.8725357     4.224226  
1 1 1 14  9   22 o 83.035  1.6959 340.903  13.899  346.618  20.038  335.602  19.297  83.647  2.4270 82.314  2.3751 1.333420       3.395737  
1 1 1 14  9   23 o 98.949  1.8891 484.467  18.451  502.030  27.147  469.388  25.153  100.583 2.7344 97.280  2.6196 3.303093       3.786694  
1 1 1 14  9   24 o 65.621  6.1558 220.606  39.405  213.040  55.642  228.219  55.813  63.099  9.2050 65.523  8.8570 -2.423889      12.77415  
1 1 1 14  9   25 o 32.817  0.9465 53.192   3.0659  61.297   5.3979  49.332   3.7252  35.205  1.5534 31.596  1.1945 3.608549       1.959546  
1 1 1 14  10  0  o 68.071  7.0586 234.580  46.736  269.529  81.003  217.141  57.221  71.518  11.893 64.896  9.1900 6.621986       15.02959  
1 1 1 14  10  1  o 70.221  2.7703 243.873  19.201  246.583  19.808  201.671  78.171  70.606  2.8422 61.358  13.292 9.248001       13.59230  
1 1 1 14  10  2  o 185.787 2.5566 1706.34  46.883  1725.37  65.513  1686.37  67.121  186.673 3.5556 184.529 3.6852 2.144073       5.120845  
1 1 1 14  10  3  o 100.424 1.5479 498.005  15.344  540.232  22.594  461.865  20.903  104.564 2.1892 96.683  2.1904 7.881157       3.096807  
1 1 1 14  10  4  o 111.004 1.8010 608.577  19.732  597.905  28.466  618.450  27.378  109.979 2.6223 111.862 2.4796 -1.883240      3.608998  
1 1 1 14  10  5  o 137.774 2.0597 937.709  28.010  924.837  39.494  950.736  39.730  136.757 2.9258 138.660 2.9029 -1.903809      4.121573  
1 1 1 14  10  6  o 151.484 2.3029 1133.88  34.433  1117.74  50.763  1147.63  46.861  150.291 3.4220 152.322 3.1169 -2.030853      4.628699  
1 1 1 14  10  7  f 226.000 3.4077 2527.41  76.016  2392.69  107.417 2662.57  107.589 219.569 4.9564 231.686 4.7047 -12.11653      6.833767  
1 1 1 14  10  8  o 37.104  1.2742 67.969   4.6666  69.862   6.6476  66.130   6.5525  37.610  1.7907 36.592  1.8142 1.018795       2.549114  
1 1 1 14  10  9  o 154.502 2.6443 1179.97  40.325  1197.74  57.029  1162.21  57.027  155.538 3.7147 153.206 3.7711 2.331879       5.293420  
1 1 1 14  10  10 o 145.790 5.0347 1055.20  72.450  1055.20  72.450  0.0000   0.0000  145.790 5.0347 ?       ?      0.000000       5.034750  
1 1 1 14  10  11 o 130.701 2.2664 844.101  29.238  834.037  41.348  854.167  41.350  129.838 3.2264 131.400 3.1882 -1.561386      4.535924  
1 1 1 14  10  12 o 227.582 3.1391 2562.24  70.515  2586.27  99.747  2538.24  99.699  228.378 4.4250 226.237 4.4647 2.140274       6.286012  
1 1 1 14  10  13 o 99.405  2.0160 488.155  19.781  482.017  24.040  501.023  34.808  98.753  2.4663 100.603 3.5054 -1.850220      4.286049  
1 1 1 14  10  14 o 82.343  5.9889 339.465  48.342  310.158  68.260  368.955  68.473  77.967  9.0375 85.344  8.2306 -7.376816      12.22372  
1 1 1 14  10  15 o 131.865 6.2948 867.364  81.931  876.775  115.815 857.935  115.920 131.575 8.9713 130.105 9.0837 1.469391       12.76711  
1 1 1 14  10  16 o 133.479 1.9998 880.291  26.347  856.114  37.171  904.700  37.350  131.554 2.8626 135.243 2.7979 -3.688522      4.002900  
1 1 1 14  10  17 o 121.823 2.0125 733.342  24.199  739.553  33.566  726.620  34.919  122.269 2.7813 121.180 2.9194 1.088448       4.032198  
1 1 1 14  10  18 o 97.827  1.6993 472.767  16.408  533.175  24.151  420.983  22.361  103.842 2.3563 92.264  2.4554 11.57734       3.403098  
1 1 1 14  10  19 o 88.801  1.8039 389.662  15.811  418.393  22.625  362.238  22.104  91.964  2.4925 85.559  2.6174 6.404381       3.614382  
1 1 1 14  10  20 o 20.095  4.8883 20.945   9.6031  25.147   14.037  17.249   13.166  22.070  6.1919 18.859  6.1540 3.210487       8.729938  
1 1 1 14  10  21 o 38.277  4.2152 73.864   15.661  76.700   17.904  64.622   32.318  38.903  4.7621 34.765  9.2546 4.138809       10.40793  
1 1 1 14  10  22 o 40.659  1.6743 81.737   6.7194  94.576   17.889  79.628   7.2503  43.323  4.2376 40.124  1.8307 3.198803       4.616158  
1 1 1 14  10  23 o 34.957  6.6241 64.156   22.019  62.945   31.077  65.376   31.203  34.069  9.0778 34.714  9.0233 -0.6448326     12.79951  
1 1 1 14  10  24 o 21.170  6.3995 23.092   14.506  24.384   20.755  21.858   20.282  22.495  7.7323 21.669  7.6320 0.8261013      10.86441  
1 1 1 14  10  25 o 100.206 2.0848 497.493  20.620  498.875  31.433  496.449  27.319  100.086 3.1819 99.952  2.7692 0.1341095      4.218118  
1 1 1 14  11  0  o 51.614  6.1354 135.045  30.644  129.525  43.267  140.600  43.408  49.766  9.1453 52.007  8.7680 -2.240494      12.66946  
1 1 1 14  11  1  o 42.785  6.3184 93.370   25.880  94.891   36.600  91.850   36.600  42.547  8.9965 41.822  9.1230 0.7246437      12.81273  
1 1 1 14  11  2  o 59.318  1.3774 173.747  8.0644  171.369  10.612  176.996  12.407  58.899  1.8254 59.849  2.1002 -0.9499283     2.782629  
1 1 1 14  11  3  o 120.674 1.8089 719.305  21.546  751.909  31.656  691.166  29.408  123.321 2.6007 118.242 2.5198 5.079597       3.621147  
1 1 1 14  11  4  o 167.894 2.3863 1393.18  39.545  1343.07  55.742  1443.95  56.109  164.720 3.4285 170.809 3.3280 -6.089340      4.778131  
1 1 1 14  11  5  o 45.981  1.5954 104.410  7.2407  87.073   8.3759  155.679  14.404  41.983  2.0213 56.117  2.6004 -14.13484      3.293596  
1 1 1 14  11  6  o 141.974 2.2560 996.004  31.614  1016.26  45.049  976.345  44.376  143.323 3.1844 140.478 3.2004 2.844742       4.514811  
1 1 1 14  11  7  o 71.947  1.6048 255.625  11.397  291.612  17.980  231.458  14.735  76.817  2.3714 68.444  2.1811 8.372841       3.221921  
1 1 1 14  11  8  o 136.073 2.1037 914.771  28.255  899.037  38.408  933.330  41.713  134.834 2.8859 137.363 3.0766 -2.528687      4.218306  
1 1 1 14  11  9  o 218.548 3.2885 2363.39  70.939  2302.56  99.883  2425.29  100.767 215.424 4.6975 221.111 4.6172 -5.686813      6.586699  
1 1 1 14  11  10 o 74.383  1.6498 273.236  12.113  258.623  16.692  289.489  17.604  72.342  2.3377 76.538  2.3303 -4.195564      3.300786  
1 1 1 14  11  11 f 109.801 2.5965 595.998  28.141  595.998  28.141  0.0000   0.0000  109.801 2.5965 ?       ?      0.000000       2.596530  
1 1 1 14  11  12 o 185.294 2.7434 1697.68  50.175  1664.71  68.026  1737.03  74.304  183.332 3.7593 187.223 4.0209 -3.891663      5.504508  
1 1 1 14  11  13 o 188.850 3.7120 1766.45  69.193  1717.69  94.835  1821.94  101.179 185.912 5.1681 191.422 5.3551 -5.509506      7.442181  
1 1 1 14  11  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  11  15 o 195.475 4.5710 1896.94  88.193  1945.63  100.818 1738.24  182.017 197.807 5.1638 184.811 10.016 12.99554       11.26837  
1 1 1 14  11  16 o 73.817  1.5812 269.118  11.521  271.297  15.481  266.415  17.247  74.093  2.1169 73.411  2.3802 0.6826553      3.185397  
1 1 1 14  11  17 o 149.504 2.2489 1104.89  33.186  1046.77  47.365  1160.93  46.510  145.381 3.3008 153.139 3.0770 -7.758041      4.512535  
1 1 1 14  11  18 o 144.713 2.3018 1035.48  32.879  1070.73  47.720  1003.61  45.364  147.011 3.2887 142.339 3.2289 4.672592       4.608803  
1 1 1 14  11  19 o 68.523  1.7436 232.017  11.793  267.199  27.980  224.417  13.004  73.255  3.8835 67.381  1.9553 5.873947       4.348008  
1 1 1 14  11  20 o 24.003  1.6671 28.609   3.9252  29.203   4.1306  23.076   12.604  24.246  1.7375 21.131  5.8458 3.114794       6.098538  
1 1 1 14  11  21 o 31.428  3.5095 49.682   10.701  47.801   16.168  51.148   14.274  30.397  5.5949 31.663  4.7110 -1.265917      7.314087  
1 1 1 14  11  22 o 29.352  3.6011 43.514   10.214  48.619   16.015  40.015   13.261  30.637  5.4981 27.835  5.0110 2.802557       7.439034  
1 1 1 14  11  23 o 25.843  6.6887 35.353   17.193  35.670   23.937  35.014   24.711  26.237  8.2731 26.121  8.4238 0.1151981      11.80695  
1 1 1 14  11  24 o 20.620  1.8145 21.204   3.6555  22.196   20.653  21.171   3.7142  21.823  7.6998 20.601  1.8462 1.222492       7.918049  
1 1 1 14  11  25 o 55.828  2.6011 154.780  14.333  158.130  22.204  152.387  18.768  56.045  4.0409 55.157  3.4649 0.8877182      5.322992  
1 1 1 14  12  0  o 52.592  6.1630 140.488  31.385  133.178  44.112  147.983  44.665  50.337  9.2180 53.257  8.8045 -2.919247      12.74715  
1 1 1 14  12  1  o 113.496 6.2598 646.828  69.854  672.020  98.834  621.680  98.745  114.750 8.7929 110.189 9.1621 4.561058       12.69885  
1 1 1 14  12  2  o 85.296  1.7656 359.423  14.865  346.272  18.198  385.796  25.770  83.697  2.2028 88.288  2.9572 -4.591209      3.687427  
1 1 1 14  12  3  o 100.134 1.4726 495.166  14.554  476.539  20.463  514.237  20.705  98.199  2.1112 102.013 2.0563 -3.813759      2.947122  
1 1 1 14  12  4  o 139.616 1.9338 963.010  26.649  956.787  38.437  968.771  36.980  139.084 2.7999 139.966 2.6768 -0.8815155     3.873560  
1 1 1 14  12  5  o 189.950 2.6754 1784.10  50.160  1767.90  70.994  1800.25  70.879  188.899 3.8077 190.627 3.7670 -1.728104      5.356192  
1 1 1 14  12  6  o 375.628 5.0525 7010.08  187.324 7188.71  265.125 6832.01  264.708 379.165 7.0842 369.519 7.2577 9.645905       10.14196  
1 1 1 14  12  7  o 14.579  1.4586 10.601   2.0708  12.443   2.9597  8.8340   2.8984  15.752  1.9450 13.177  2.3128 2.574204       3.021907  
1 1 1 14  12  8  o 35.985  1.3359 63.937   4.7450  67.764   5.1314  41.365   12.464  37.046  1.4034 28.522  4.5824 8.523800       4.792463  
1 1 1 14  12  9  o 97.464  1.7127 469.158  16.476  459.687  23.049  479.054  23.561  96.439  2.4214 98.449  2.4246 -2.010414      3.426646  
1 1 1 14  12  10 o 193.445 2.8382 1850.65  54.192  1812.01  73.375  1897.03  80.381  191.239 3.8872 195.618 4.1631 -4.378647      5.695737  
1 1 1 14  12  11 o 46.722  1.5047 107.796  6.9392  108.150  8.2621  106.947  12.785  46.793  1.7889 46.419  2.8036 0.3737755      3.325700  
1 1 1 14  12  12 o 119.910 2.4104 710.718  28.529  708.435  34.941  715.284  49.410  119.670 2.9581 120.108 4.1679 -0.4378510     5.110921  
1 1 1 14  12  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  12  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  12  15 o 225.883 3.0697 2525.22  68.440  2528.45  96.956  2522.02  96.623  225.705 4.3521 225.421 4.3426 0.2846069      6.148101  
1 1 1 14  12  16 o 149.967 2.2052 1111.65  32.642  1145.32  47.362  1081.19  45.051  152.098 3.1548 147.788 3.0884 4.309891       4.414881  
1 1 1 14  12  17 f 178.319 2.5458 1572.77  44.808  1574.64  64.000  1570.97  62.754  178.218 3.6383 178.025 3.5713 0.1932526      5.098186  
1 1 1 14  12  18 o 134.943 2.2976 900.487  30.602  871.826  43.524  928.510  43.036  132.633 3.3246 136.900 3.1849 -4.267502      4.603993  
1 1 1 14  12  19 o 85.495  2.0082 361.360  16.947  365.380  25.057  357.972  23.006  85.881  2.9560 85.029  2.7412 0.8525772      4.031386  
1 1 1 14  12  20 o 73.861  1.5535 269.562  11.325  276.414  17.123  264.234  15.100  74.737  2.3212 73.091  2.0931 1.646645       3.125523  
1 1 1 14  12  21 o 86.544  1.8283 370.374  15.617  357.743  21.195  385.376  23.101  84.979  2.5269 88.182  2.6540 -3.203712      3.664589  
1 1 1 14  12  22 o 19.694  6.8678 17.913   16.402  7.9874   25.546  24.874   21.394  19.784  8.1358 22.816  7.8499 -3.032434      11.30541  
1 1 1 14  12  23 o 30.006  6.7506 47.759   19.509  43.928   27.048  51.913   28.167  28.768  8.7479 31.024  8.7949 -2.256077      12.40465  
1 1 1 14  12  24 o 13.014  4.8698 6.4912   8.4324  14.683   12.113  -1.2107  11.746  17.511  5.9085 12.214  5.2889 5.296606       7.929877  
1 1 1 14  12  25 o 50.725  2.7218 128.244  13.578  133.842  20.264  123.683  18.291  51.532  4.0157 49.589  3.7651 1.942688       5.504692  
1 1 1 14  13  0  o 28.010  9.7535 37.174   33.075  37.174   33.075  0.0000   0.0000  28.010  9.7535 ?       ?      0.000000       9.753495  
1 1 1 14  13  1  o 53.749  6.1472 146.734  32.026  141.793  45.308  151.668  45.274  51.958  9.1699 53.892  8.8162 -1.933609      12.72053  
1 1 1 14  13  2  o 80.479  6.1410 326.148  48.414  331.578  68.484  320.724  68.451  80.334  8.7798 78.935  8.9435 1.398819       12.53279  
1 1 1 14  13  3  o 67.340  1.5078 223.971  10.022  228.954  14.232  219.070  14.115  68.058  2.1186 66.572  2.1481 1.486755       3.017101  
1 1 1 14  13  4  o 125.311 1.9499 775.912  24.118  787.754  33.669  763.431  34.566  126.193 2.7031 124.217 2.8193 1.976189       3.905736  
1 1 1 14  13  5  o 44.396  0.9861 97.301   4.3213  93.084   6.0881  101.584  6.1346  43.416  1.4207 45.356  1.3703 -1.940037      1.973831  
1 1 1 14  13  6  o 158.557 2.3202 1242.66  36.311  1205.51  51.127  1280.46  51.579  156.042 3.3195 160.831 3.2491 -4.788574      4.645020  
1 1 1 14  13  7  o 112.085 1.8923 620.631  20.935  628.473  29.550  612.728  29.664  112.735 2.6556 111.310 2.7000 1.424896       3.787126  
1 1 1 14  13  8  o 63.611  1.8073 199.877  11.347  190.031  15.535  211.138  16.615  61.997  2.5387 65.348  2.5759 -3.350777      3.616652  
1 1 1 14  13  9  o 104.822 1.8557 542.784  19.200  513.421  27.100  572.375  27.205  101.894 2.6946 107.595 2.5617 -5.701462      3.717920  
1 1 1 14  13  10 o 48.756  1.2808 117.371  6.1638  112.513  8.8131  122.024  8.6238  47.724  1.8709 49.703  1.7578 -1.979122      2.567191  
1 1 1 14  13  11 o 27.069  2.6956 36.592   7.1061  37.878   11.055  35.687   9.2764  27.317  4.2373 26.598  3.6280 0.7191639      5.578290  
1 1 1 14  13  12 o 86.083  2.0265 366.143  17.219  364.715  30.594  366.805  20.831  85.804  3.6124 86.137  2.4501 -0.3330841     4.364923  
1 1 1 14  13  13 o 163.827 13.745 1406.96  220.201 0.0000   0.0000  1406.96  220.201 ?       ?      163.827 13.745 0.000000       13.74466  
1 1 1 14  13  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  13  15 f 111.769 2.0691 617.374  22.826  619.981  33.139  615.020  31.486  111.920 2.9998 111.486 2.8613 0.4341049      4.145619  
1 1 1 14  13  16 o 145.409 2.2440 1045.29  32.207  1036.76  46.085  1053.44  45.030  144.681 3.2271 145.856 3.1278 -1.174911      4.494141  
1 1 1 14  13  17 o 96.575  1.8259 460.866  17.405  433.522  24.844  487.224  24.392  93.599  2.6891 99.246  2.4900 -5.647041      3.664943  
1 1 1 14  13  18 o 33.047  3.9877 55.022   12.744  60.546   19.731  51.068   16.694  34.282  6.0522 31.517  5.5703 2.765800       8.225398  
1 1 1 14  13  19 o 68.598  1.5934 232.514  10.789  223.713  15.550  240.685  14.982  67.241  2.3429 69.757  2.1760 -2.516327      3.197498  
1 1 1 14  13  20 o 46.507  2.7155 107.533  12.411  127.390  19.003  92.763   16.389  50.461  3.8443 43.004  3.9036 7.456432       5.478749  
1 1 1 14  13  21 o 56.227  1.3796 156.216  7.6564  154.660  12.399  157.175  9.7341  55.891  2.2475 56.379  1.7492 -0.4883118     2.847982  
1 1 1 14  13  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  13  23 o 84.023  6.2216 361.553  51.231  316.584  71.358  409.389  73.598  76.685  9.6406 88.047  8.5776 -11.36151      12.90417  
1 1 1 14  13  24 o 39.254  3.1693 77.222   12.175  85.837   18.415  70.533   16.227  41.064  4.6238 37.205  4.5110 3.858376       6.459721  
1 1 1 14  13  25 o 35.469  1.1056 62.164   3.8705  74.076   4.8396  41.022   6.4475  38.711  1.2666 28.664  2.2982 10.04701       2.624101  
1 1 1 14  14  0  o 161.576 6.7275 1322.79  107.292 1315.83  151.760 1329.75  151.707 158.663 9.7376 159.556 9.6787 -0.8931274     13.72946  
1 1 1 14  14  1  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  14  2  o 20.374  1.3794 20.597   2.7575  20.502   2.9315  21.326   8.1258  20.319  1.4717 20.338  4.1875 -0.1880264E-01 4.438530  
1 1 1 14  14  3  o 25.746  1.7367 32.903   4.3875  33.029   4.4544  28.787   25.418  25.793  1.7601 24.818  8.5554 0.9755993      8.734613  
1 1 1 14  14  4  o 8.1508  2.1637 3.4005   1.7698  3.2068   1.8079  7.8522   8.6674  7.9432  2.2199 13.765  4.9733 -5.822131      5.446221  
1 1 1 14  14  5  o 44.972  2.0141 99.957   8.9404  102.367  12.044  96.999   13.343  45.406  2.6995 44.154  3.0809 1.252289       4.096224  
1 1 1 14  14  6  o 130.838 1.8595 845.796  24.014  835.054  34.182  856.265  33.744  129.926 2.6654 131.574 2.5983 -1.647446      3.722328  
1 1 1 14  14  7  o 151.720 2.4884 1138.26  37.265  1128.56  54.917  1146.53  50.731  150.896 3.6872 152.145 3.3782 -1.248581      5.000768  
1 1 1 14  14  8  f 82.702  1.9349 337.939  15.794  359.455  24.638  322.929  20.579  85.230  2.9287 80.808  2.5801 4.422432       3.903089  
1 1 1 14  14  9  o 39.697  1.1963 77.804   4.6873  72.307   6.6556  83.214   6.6024  38.259  1.7625 41.046  1.6297 -2.787041      2.400455  
1 1 1 14  14  10 o 183.892 2.6653 1672.52  48.378  1645.64  68.706  1698.96  68.130  182.199 3.8205 185.147 3.7281 -2.948349      5.338051  
1 1 1 14  14  11 o 107.536 1.8793 571.333  19.947  608.429  29.145  538.644  27.359  110.912 2.6623 104.358 2.6561 6.553734       3.760646  
1 1 1 14  14  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  14  13 o 126.208 6.2577 796.083  77.954  796.088  110.233 796.078  110.253 125.082 8.9885 125.081 8.9903 0.1525879E-02  12.71293  
1 1 1 14  14  14 o 151.252 2.3582 1131.15  35.206  1129.21  50.366  1132.99  49.231  150.974 3.3799 151.241 3.2979 -0.2663574     4.722292  
1 1 1 14  14  15 o 79.257  1.7302 310.342  13.536  316.105  19.500  304.984  18.803  79.946  2.4712 78.530  2.4258 1.415718       3.462902  
1 1 1 14  14  16 o 110.934 1.7990 608.087  19.699  619.185  28.397  597.794  27.348  111.871 2.5717 109.927 2.5205 1.943962       3.600951  
1 1 1 14  14  17 o 25.216  4.2333 32.454   10.163  29.364   15.055  35.042   13.775  23.780  6.3099 26.002  5.5370 -2.222492      8.394854  
1 1 1 14  14  18 o 75.447  2.1768 281.532  16.210  302.732  24.846  265.819  21.390  78.136  3.2216 73.245  2.9587 4.891563       4.374091  
1 1 1 14  14  19 o 47.757  2.5487 113.254  11.970  108.534  18.157  116.883  15.920  46.537  3.9916 48.411  3.3522 -1.874302      5.212500  
1 1 1 14  14  20 o 61.084  1.5513 184.406  9.3528  204.478  13.406  165.370  13.055  64.283  2.1128 57.796  2.2885 6.486526       3.114645  
1 1 1 14  14  21 o 25.936  5.4261 35.087   13.445  34.417   19.884  35.652   18.248  25.623  7.4294 25.992  6.9696 -0.3690338     10.18688  
1 1 1 14  14  22 o 76.258  13.931 337.479  100.995 0.0000   0.0000  337.479  100.995 ?       ?      76.258  13.931 0.000000       13.93129  
1 1 1 14  14  23 o 49.755  1.5943 122.452  7.8296  120.619  11.209  124.200  10.941  49.321  2.3026 50.056  2.2144 -0.7356491     3.194627  
1 1 1 14  14  24 o 125.730 6.5686 814.297  81.233  758.934  114.349 870.703  115.420 118.300 9.8835 127.468 9.2364 -9.167267      13.52753  
1 1 1 14  14  25 o 21.228  5.4605 23.793   11.507  26.484   17.117  21.574   15.542  22.536  6.9784 20.629  6.6835 1.906851       9.662668  
1 1 1 14  15  0  o 95.877  6.2828 467.211  59.128  443.636  83.531  490.885  83.709  91.830  9.3460 96.940  8.8460 -5.109978      12.86855  
1 1 1 14  15  1  o 55.043  6.1838 154.850  33.015  166.587  46.658  143.080  46.723  56.231  8.6864 51.718  9.5031 4.513504       12.87487  
1 1 1 14  15  2  o 68.853  1.6377 234.322  11.130  248.524  16.542  222.575  15.044  70.850  2.3655 67.057  2.2730 3.792633       3.280529  
1 1 1 14  15  3  o 37.600  2.3159 70.224   8.5528  82.009   12.839  60.822   11.468  40.529  3.2365 34.844  3.3768 5.684570       4.677339  
1 1 1 14  15  4  o 102.623 2.3086 521.021  23.384  531.232  24.430  409.382  80.779  103.614 2.3887 88.875  9.3485 14.73897       9.648844  
1 1 1 14  15  5  o 63.333  1.7692 198.217  11.059  186.922  15.931  208.723  15.365  61.454  2.6265 64.954  2.3966 -3.500565      3.555526  
1 1 1 14  15  6  f 156.119 2.2246 1205.19  34.281  1173.26  46.605  1242.83  50.601  153.903 3.0680 158.368 3.2372 -4.464783      4.459997  
1 1 1 14  15  7  f 111.463 1.8832 613.945  20.719  607.878  30.394  619.211  28.318  110.825 2.7785 111.877 2.5644 -1.051903      3.781063  
1 1 1 14  15  8  o 48.914  2.1046 118.266  10.161  126.765  14.950  110.968  13.853  50.511  3.0123 47.250  2.9857 3.260605       4.241285  
1 1 1 14  15  9  o 55.370  1.4321 151.414  7.8270  142.346  11.014  160.667  11.125  53.665  2.0792 57.019  1.9768 -3.353184      2.868971  
1 1 1 14  15  10 o 12.698  5.2562 2.1262   10.756  7.0244   15.551  -2.3666  14.893  16.274  6.4697 13.653  5.9337 2.621166       8.778764  
1 1 1 14  15  11 o 107.721 2.9544 574.408  31.412  614.104  44.149  533.707  44.704  111.238 4.0210 103.649 4.3696 7.589233       5.938173  
1 1 1 14  15  12 o 220.013 7.2388 2433.02  157.199 2321.94  222.247 2544.23  222.379 212.749 10.584 223.079 10.100 -10.33005      14.62921  
1 1 1 14  15  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  15  14 o 114.448 2.4993 647.945  28.234  558.223  96.052  656.430  29.538  104.239 9.4380 115.184 2.5981 -10.94537      9.789104  
1 1 1 14  15  15 o 111.115 1.9933 610.279  21.861  603.691  31.912  616.105  30.008  110.413 2.9282 111.568 2.7250 -1.154816      4.000010  
1 1 1 14  15  16 o 72.613  2.0576 260.684  14.747  257.055  22.109  263.592  19.794  72.023  3.1100 72.966  2.7483 -0.9427185     4.150342  
1 1 1 14  15  17 o 128.401 2.5451 816.089  32.256  839.749  41.140  778.333  51.969  130.136 3.2028 125.072 4.2097 5.063599       5.289591  
1 1 1 14  15  18 o 73.019  2.3406 263.873  16.869  249.108  24.761  276.662  23.044  70.729  3.5582 74.685  3.1260 -3.956284      4.736311  
1 1 1 14  15  19 f 28.477  1.5563 40.195   4.3579  44.002   6.2230  36.532   6.1046  29.745  2.1338 27.068  2.3069 2.676289       3.142432  
1 1 1 14  15  20 o 142.414 2.4161 1004.81  33.962  994.903  48.722  1014.17  47.366  141.415 3.4906 142.820 3.3601 -1.405014      4.845025  
1 1 1 14  15  21 o 25.008  7.2236 32.867   18.830  28.814   26.467  37.020   26.795  24.696  8.7161 26.891  8.7793 -2.195339      12.37121  
1 1 1 14  15  22 o 63.442  4.3575 202.813  27.121  242.355  83.631  198.166  28.671  64.262  13.609 62.612  4.6729 1.650215       14.38863  
1 1 1 14  15  23 o 64.642  2.0175 207.019  12.872  207.419  15.948  206.271  21.805  64.637  2.4997 64.196  3.4540 0.4413528      4.263614  
1 1 1 14  15  24 o 31.094  4.5346 49.666   13.508  48.371   22.699  50.376   16.808  29.870  7.6618 30.994  5.7045 -1.123934      9.552218  
1 1 1 14  15  25 o 48.468  4.2890 119.207  20.307  110.808  22.287  160.256  49.274  46.510  4.9300 53.634  9.6632 -7.123295      10.84813  
1 1 1 14  16  0  o 31.629  6.8443 52.859   20.747  51.769   29.742  53.893   28.955  31.109  9.1054 31.675  8.8953 -0.5654163     12.72926  
1 1 1 14  16  1  o 30.654  6.8004 49.616   20.038  44.890   28.035  54.552   28.650  29.205  8.9118 31.887  8.8103 -2.682121      12.53166  
1 1 1 14  16  2  o 81.858  1.7505 331.364  14.143  356.584  21.338  311.599  18.889  84.819  2.5487 79.306  2.4131 5.512871       3.509836  
1 1 1 14  16  3  f 34.492  2.7192 59.345   9.1824  72.249   14.386  50.474   11.928  37.888  3.9028 31.598  3.9079 6.290340       5.522964  
1 1 1 14  16  4  o 171.288 2.2849 1452.25  38.630  1471.61  55.227  1433.70  54.056  172.166 3.2499 169.942 3.2226 2.223801       4.576782  
1 1 1 14  16  5  o 128.354 2.0318 814.790  25.740  855.269  37.820  779.858  35.133  131.355 2.9170 125.446 2.8375 5.909843       4.069431  
1 1 1 14  16  6  o 70.040  1.7367 242.450  12.006  235.066  17.627  248.840  16.398  68.905  2.5917 70.915  2.3427 -2.010735      3.493631  
1 1 1 14  16  7  o 68.418  1.8551 231.376  12.528  232.827  18.110  230.044  17.348  68.576  2.6755 68.172  2.5782 0.4033585      3.715550  
1 1 1 14  16  8  o 52.986  2.2118 138.845  11.568  141.362  16.849  136.600  15.910  53.307  3.2174 52.414  3.0889 0.8924408      4.460114  
1 1 1 14  16  9  o 39.498  2.9407 77.688   11.382  84.092   17.003  72.487   15.323  40.908  4.2740 37.969  4.1565 2.939590       5.961851  
1 1 1 14  16  10 o 62.630  1.2957 193.715  8.0096  203.574  10.413  179.429  12.534  64.191  1.6435 60.243  2.1080 3.947903       2.672926  
1 1 1 14  16  11 o 121.322 8.9348 753.345  106.241 0.0000   0.0000  753.345  106.241 ?       ?      121.322 8.9348 0.000000       8.934796  
1 1 1 14  16  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  16  13 o 136.825 2.0814 925.582  28.110  927.455  40.229  923.795  39.295  136.834 2.9786 136.574 2.9149 0.2595978      4.167601  
1 1 1 14  16  14 o 151.407 2.5165 1134.44  37.608  1205.70  53.766  1066.19  52.623  155.893 3.4942 146.564 3.6376 9.328781       5.044002  
1 1 1 14  16  15 o 64.145  2.1210 203.475  13.429  157.945  50.585  206.927  13.928  54.686  9.7281 64.683  2.1816 -9.996300      9.969692  
1 1 1 14  16  16 o 64.444  2.3523 205.514  14.962  202.165  22.243  208.283  20.222  63.710  3.5513 64.806  3.1613 -1.096558      4.754499  
1 1 1 14  16  17 o 142.284 2.3784 1002.11  33.403  1021.25  47.981  984.124  46.530  143.414 3.3896 140.793 3.3482 2.620285       4.764411  
1 1 1 14  16  18 o 132.495 2.3110 869.081  30.222  890.219  43.131  848.692  42.360  133.888 3.2637 130.723 3.2830 3.164917       4.629277  
1 1 1 14  16  19 o 85.029  1.9573 357.708  16.427  361.134  23.646  354.512  22.838  85.322  2.8078 84.547  2.7367 0.7749557      3.920821  
1 1 1 14  16  20 o 43.467  6.9006 98.663   28.617  103.651  39.242  92.998   41.820  43.682  9.3817 41.037  10.332 2.645008       13.95558  
1 1 1 14  16  21 o 28.963  7.3777 44.920   21.149  58.937   30.562  32.040   29.297  32.876  9.1058 25.853  9.1654 7.022823       12.91980  
1 1 1 14  16  22 o 39.762  1.3426 78.158   5.2692  91.174   7.5604  65.864   7.3478  42.917  1.7848 36.402  2.0534 6.514988       2.720625  
1 1 1 14  16  23 o 40.905  1.3439 82.729   5.4260  92.519   7.7774  73.446   7.5736  43.224  1.8229 38.447  2.0027 4.777027       2.708102  
1 1 1 14  16  24 o 15.199  1.8832 11.618   2.7645  11.911   2.8118  3.1004   15.138  15.391  1.8907 14.843  6.1973 0.5477991      6.479290  
1 1 1 14  16  25 o 56.955  1.5719 160.574  8.8367  171.050  12.727  150.823  12.279  58.699  2.1967 55.110  2.2573 3.588905       3.149749  
1 1 1 14  17  0  o 82.515  6.2015 348.488  50.139  337.407  71.069  359.468  70.746  79.507  9.2277 82.337  8.8437 -2.829330      12.78130  
1 1 1 14  17  1  o 64.031  6.2618 210.213  39.069  193.686  54.938  227.123  55.572  59.971  9.6054 65.430  8.8304 -5.459339      13.04756  
1 1 1 14  17  2  o 86.383  1.7320 369.076  14.768  399.892  21.793  342.908  20.082  89.817  2.4582 83.173  2.4462 6.643433       3.467935  
1 1 1 14  17  3  o 16.265  4.3719 13.684   7.1697  21.361   11.474  8.7669   9.1833  20.260  5.5664 14.293  5.1246 5.966901       7.566080  
1 1 1 14  17  4  o 38.530  2.6246 73.949   9.9222  77.338   14.786  71.171   13.383  39.201  3.8718 37.633  3.6489 1.568611       5.320289  
1 1 1 14  17  5  o 153.794 2.2672 1171.14  34.417  1179.17  47.749  1162.45  49.652  154.090 3.1395 152.947 3.2890 1.142883       4.546849  
1 1 1 14  17  6  o 10.276  4.1073 2.6029   6.2998  2.2036   9.0157  2.9838   8.8065  11.741  4.8313 11.892  4.8197 -0.1513205     6.824286  
1 1 1 14  17  7  o 79.825  1.7435 314.995  13.737  313.503  19.962  316.337  18.934  79.560  2.5419 79.935  2.3998 -0.3742905     3.495776  
1 1 1 14  17  8  o 93.234  1.8815 429.786  17.314  430.580  25.081  429.063  23.932  93.225  2.7257 93.077  2.6049 0.1487045      3.770312  
1 1 1 14  17  9  o 44.782  2.4548 99.568   10.809  86.129   15.523  112.219  15.061  41.450  3.8377 47.452  3.2350 -6.002541      5.019294  
1 1 1 14  17  10 o 20.114  6.0604 20.514   13.025  22.814   18.421  18.214   18.420  21.793  7.2867 20.365  7.2623 1.427834       10.28771  
1 1 1 14  17  11 o 69.455  6.0845 244.086  41.292  241.162  58.363  247.016  58.427  68.105  8.8946 68.982  8.7802 -0.8770981     12.49823  
1 1 1 14  17  12 o 215.637 3.0286 2305.05  64.462  2356.67  91.532  2254.27  90.798  217.564 4.2624 212.758 4.3237 4.806076       6.071427  
1 1 1 14  17  13 o 73.827  1.5556 269.308  11.336  252.143  18.074  280.438  14.554  71.361  2.5660 75.310  1.9579 -3.948860      3.227662  
1 1 1 14  17  14 o 167.828 2.5156 1394.57  41.672  1385.67  59.379  1403.22  58.498  167.008 3.6021 168.085 3.5260 -1.077469      5.040629  
1 1 1 14  17  15 o 52.380  1.6054 135.594  8.3000  117.563  11.789  153.315  11.687  48.666  2.4623 55.669  2.1270 -7.002747      3.253792  
1 1 1 14  17  16 o 153.554 6.5379 1192.26  99.090  1061.65  139.841 1323.97  140.431 142.328 10.018 159.947 8.9308 -17.61960      13.42104  
1 1 1 14  17  17 o 142.153 2.3399 1000.67  32.831  1049.84  48.349  958.610  44.722  145.339 3.3704 138.911 3.2618 6.427475       4.690241  
1 1 1 14  17  18 o 49.631  3.1773 122.894  15.483  127.608  23.109  119.055  20.857  50.259  4.7134 48.606  4.3949 1.653378       6.444476  
1 1 1 14  17  19 o 45.595  1.4155 102.752  6.3703  106.857  9.1138  98.831   8.9077  46.462  1.9873 44.681  2.0198 1.781158       2.833578  
1 1 1 14  17  20 o 42.790  6.7851 95.919   27.701  87.521   38.551  104.884  39.830  39.754  9.8702 43.720  9.5013 -3.965824      13.70021  
1 1 1 14  17  21 o 18.859  5.5250 18.413   10.946  23.329   16.289  14.365   14.781  21.400  6.8328 18.032  6.4976 3.367754       9.429008  
1 1 1 14  17  22 o 101.952 2.6485 516.689  26.652  525.841  48.402  512.706  31.928  102.014 4.8070 101.394 3.1903 0.6194458      5.769303  
1 1 1 14  17  23 o 7.0213  2.5462 2.0146   2.2749  7.8431   14.211  1.8613   2.3046  15.758  6.2099 6.9183  2.5543 8.839914       6.714694  
1 1 1 14  17  24 o 54.533  1.6944 147.266  9.1202  135.046  12.991  159.142  12.807  52.113  2.5255 56.609  2.2921 -4.496151      3.410577  
1 1 1 14  17  25 o 40.600  7.2055 89.054   27.817  94.537   38.846  83.283   39.852  40.516  9.8169 37.748  10.375 2.767986       14.28332  
1 1 1 14  18  2  o 86.943  1.8385 374.106  15.778  373.268  23.044  374.845  21.647  86.707  2.6926 86.922  2.5231 -0.2147675     3.690056  
1 1 1 14  18  3  o 18.211  4.2429 17.254   7.4850  12.948   11.499  20.420   9.8598  16.699  5.7546 19.769  5.0383 -3.069778      7.648531  
1 1 1 14  18  4  o 80.612  1.7975 321.505  14.302  326.309  20.949  317.310  19.573  81.098  2.6171 79.994  2.4790 1.104309       3.604819  
1 1 1 14  18  5  o 110.919 2.2529 609.510  24.666  591.315  43.388  618.198  29.982  108.791 4.0406 111.609 2.7216 -2.818092      4.871680  
1 1 1 14  18  6  o 111.438 1.9116 614.498  21.027  645.978  30.460  585.841  29.062  114.106 2.7045 108.664 2.7096 5.442108       3.828332  
1 1 1 14  18  7  o 38.419  2.5020 73.464   9.4361  86.493   14.127  62.967   12.679  41.550  3.4766 35.368  3.6862 6.181427       5.067014  
1 1 1 14  18  8  o 38.011  2.5560 71.928   9.5338  71.568   14.202  72.223   12.863  37.705  3.8709 37.951  3.4724 -0.2460098     5.200105  
1 1 1 14  18  9  o 20.955  4.5921 22.793   9.2358  30.820   15.496  18.371   11.502  24.248  6.3862 18.991  5.6889 5.256420       8.552594  
1 1 1 14  18  10 o 53.663  6.1417 147.102  31.946  147.772  45.240  146.435  45.116  52.812  9.0014 52.561  9.0212 0.2514343      12.74393  
1 1 1 14  18  11 o 48.083  6.2101 118.498  28.784  110.549  40.669  126.478  40.745  45.414  9.3831 48.871  8.7688 -3.457142      12.84272  
1 1 1 14  18  12 o 38.198  1.2905 72.079   4.8655  83.570   6.9716  61.168   6.7935  41.114  1.7179 35.110  1.9683 6.003891       2.612531  
1 1 1 14  18  13 o 85.802  2.2143 364.397  18.753  358.953  27.572  369.083  25.581  85.008  3.2861 86.245  3.0050 -1.236824      4.452925  
1 1 1 14  18  14 o 57.166  2.9500 162.572  16.588  151.303  20.469  184.137  28.316  54.998  3.7938 60.475  4.7829 -5.476982      6.104838  
1 1 1 14  18  15 o 49.887  2.6167 123.702  12.840  112.040  18.985  133.533  17.431  47.215  4.1149 51.708  3.4349 -4.492859      5.360087  
1 1 1 14  18  16 o 30.497  1.3035 45.953   3.9237  43.481   5.6669  48.229   5.4379  29.580  1.9519 31.177  1.7745 -1.597158      2.637955  
1 1 1 14  18  17 o 90.691  4.8922 414.224  43.630  414.224  43.630  0.0000   0.0000  90.691  4.8922 ?       ?      0.000000       4.892152  
1 1 1 14  18  18 o 180.879 3.2439 1628.38  57.914  1691.88  74.743  1532.96  91.613  183.899 4.1177 174.259 5.3264 9.640686       6.732456  
1 1 1 14  18  19 o 22.896  7.0261 27.192   17.397  34.502   24.471  19.721   24.737  25.852  8.3875 22.009  8.3187 3.842394       11.81319  
1 1 1 14  18  20 o 91.223  6.3410 428.521  56.740  429.005  79.917  428.029  80.572  89.280  9.2006 89.101  9.2985 0.1794739      13.08105  
1 1 1 14  18  21 o 35.644  3.6912 64.249   12.798  56.762   19.098  70.351   17.243  32.797  6.1248 37.014  4.8352 -4.216373      7.803320  
1 1 1 14  18  22 o 3.6294  1.7270 -2.1848  1.6945  1.2314   2.6498  -4.5486  2.2041  6.7629  2.6763 3.6224  1.7797 3.140495       3.213995  
1 1 1 14  18  23 o 2.4126  1.2217 -5.1476  1.4527  0.0588   2.1869  -9.2588  1.9433  5.4920  2.3278 ?       ?      0.000000       2.327785  
1 1 1 14  18  24 o 34.412  1.2697 58.566   4.3126  54.291   7.4839  60.691   5.2769  32.972  2.3142 35.014  1.5269 -2.041950      2.772535  
1 1 1 14  19  3  o 65.821  2.0000 214.599  12.994  230.262  19.366  201.775  17.523  68.047  2.8833 63.715  2.7864 4.332130       4.009665  
1 1 1 14  19  4  o 14.291  4.8199 9.6419   8.0607  18.722   13.142  4.1656   10.206  19.287  6.1351 12.974  5.2129 6.313593       8.050661  
1 1 1 14  19  5  o 38.027  3.0933 72.405   11.510  75.674   20.666  70.935   13.858  38.272  5.6398 37.500  3.7963 0.7720642      6.798432  
1 1 1 14  19  6  o 59.893  1.9552 177.602  11.558  200.281  17.364  159.559  15.488  63.500  2.7704 56.679  2.7685 6.821827       3.916656  
1 1 1 14  19  7  o 50.852  2.6637 128.709  13.323  133.478  24.651  126.741  15.836  51.275  4.9316 50.366  3.2020 0.9091568      5.879910  
1 1 1 14  19  8  o 33.029  2.9962 54.659   9.6615  48.914   14.461  59.292   12.985  30.826  4.9180 34.239  3.9125 -3.412727      6.284456  
1 1 1 14  19  9  o 16.245  6.1333 9.9979   13.438  6.6675   24.660  11.405   16.026  19.202  7.9543 17.539  6.6798 1.662542       10.38702  
1 1 1 14  19  10 o 53.150  6.2446 145.285  32.136  138.495  45.669  151.944  45.227  50.604  9.4921 53.323  8.9074 -2.718597      13.01693  
1 1 1 14  19  11 o 104.878 2.0435 544.524  21.154  576.051  31.391  518.298  28.631  107.691 2.9532 102.175 2.8389 5.516029       4.096465  
1 1 1 14  19  12 o 107.303 2.1277 570.128  22.535  616.847  33.461  531.352  30.484  111.419 3.0426 103.423 2.9862 7.996429       4.263211  
1 1 1 14  19  13 o 50.678  2.9786 128.017  14.834  135.481  21.742  121.515  20.290  51.872  4.2848 49.121  4.2260 2.750675       6.018237  
1 1 1 14  19  14 f 29.864  4.2962 45.507   12.300  40.591   18.175  49.660   16.706  27.673  6.7208 30.887  5.6895 -3.213474      8.805663  
1 1 1 14  19  15 o 61.915  2.5690 190.174  15.700  190.969  22.007  189.349  22.404  61.782  3.6246 61.499  3.7082 0.2828789      5.185452  
1 1 1 14  19  16 o 5.4056  1.9981 1.1224   1.4111  -4.3749  2.6845  3.2211   1.6587  4.2951  2.0770 7.9234  2.0906 -3.628260      2.946949  
1 1 1 14  19  17 o 20.129  1.2950 20.109   2.5592  18.527   3.7036  21.555   3.5405  19.242  1.9782 20.799  1.7407 -1.557001      2.635023  
1 1 1 14  19  18 o 114.182 6.4658 670.887  72.572  698.831  102.370 642.655  102.897 114.247 9.1550 109.060 9.6588 5.187157       13.30809  
1 1 1 14  19  19 o 67.752  6.3752 237.745  42.131  216.274  59.510  259.322  59.656  62.552  9.9736 69.290  8.9306 -6.738033      13.38756  
1 1 1 14  19  20 o 50.349  2.9273 126.697  14.485  132.269  21.867  122.340  19.335  51.060  4.3812 49.201  4.0164 1.859005       5.943608  
1 1 1 14  19  21 o 47.396  1.5719 111.181  7.3538  120.581  10.536  102.251  10.269  49.296  2.1653 45.321  2.3032 3.974483       3.161189  
1 1 1 14  19  22 o 55.537  1.5361 152.660  8.4204  155.164  12.032  150.256  11.788  55.909  2.1803 55.019  2.1707 0.8899117      3.076660  
1 1 1 14  19  23 o 55.830  1.7148 154.426  9.4494  145.798  13.488  162.744  13.243  54.125  2.5246 57.217  2.3449 -3.091976      3.445607  
1 1 1 14  19  24 o 49.407  3.7675 123.656  18.234  113.832  23.467  138.626  28.968  46.867  5.1582 51.460  5.8045 -4.593163      7.765288  
1 1 1 14  20  4  o 23.820  7.1893 29.915   18.318  20.176   26.838  38.409   25.065  22.470  8.6235 26.882  8.4643 -4.412704      12.08343  
1 1 1 14  20  5  o 45.996  1.6051 104.672  7.2872  104.980  8.3340  103.672  15.019  46.046  1.8337 45.462  3.3710 0.5842209      3.837481  
1 1 1 14  20  6  o 100.210 1.9347 497.328  19.136  524.881  27.871  472.753  26.322  102.766 2.7477 97.532  2.7342 5.233086       3.876289  
1 1 1 14  20  7  o 58.117  2.1320 167.386  12.230  183.757  18.581  154.875  16.244  60.672  3.1133 55.717  2.9644 4.954441       4.298895  
1 1 1 14  20  8  o 38.993  11.979 86.803   50.552  86.803   50.552  0.0000   0.0000  38.993  11.979 ?       ?      0.000000       11.97895  
1 1 1 14  20  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 14  20  10 o 102.642 2.0923 522.007  21.197  518.607  31.973  524.674  28.314  102.044 3.1744 102.745 2.7919 -0.7006989     4.227478  
1 1 1 14  20  11 o 89.495  1.9120 396.581  16.890  400.694  22.804  391.584  25.137  89.838  2.5717 88.747  2.8696 1.091713       3.853352  
1 1 1 14  20  12 o 129.446 2.1417 830.375  27.364  832.309  40.127  828.693  37.412  129.288 3.1444 129.080 2.9364 0.2079926      4.302309  
1 1 1 14  20  13 o 35.935  3.6445 65.137   12.748  68.063   19.203  62.832   17.045  36.252  5.5427 34.931  5.0936 1.321037       7.527720  
1 1 1 14  20  14 o 21.458  5.5946 24.237   11.971  37.512   19.165  15.743   15.330  26.491  7.1592 18.637  6.6275 7.853947       9.755880  
1 1 1 14  20  15 o 47.063  3.6009 111.290  16.600  108.151  24.772  113.850  22.364  45.823  5.5932 47.266  4.8632 -1.442413      7.411757  
1 1 1 14  20  16 o 50.373  1.8341 125.647  9.1194  126.482  21.661  125.468  10.054  49.951  4.4397 50.319  2.0243 -0.3675919     4.879418  
1 1 1 14  20  17 o 52.635  7.6701 147.527  38.677  133.645  46.429  179.003  69.913  48.880  9.9614 54.613  13.131 -5.732754      16.48207  
1 1 1 14  20  18 o 67.166  6.3252 234.186  41.440  199.121  58.272  270.064  58.943  59.579  10.281 70.751  8.6186 -11.17173      13.41526  
1 1 1 14  20  19 o 28.971  1.7769 41.728   5.0564  41.615   5.1282  45.670   30.323  28.928  1.8050 28.997  9.3293 -0.6898117E-01 9.502357  
1 1 1 14  20  20 o 25.112  5.0636 33.150   12.118  27.120   17.920  38.232   16.449  22.742  7.1562 26.687  6.3388 -3.945000      9.559875  
1 1 1 14  20  21 o 14.860  5.4556 9.3093   10.491  12.634   15.747  6.6564   14.067  17.628  6.6433 15.307  6.1306 2.321153       9.039803  
1 1 1 14  20  22 o 19.360  1.2216 18.609   2.3225  25.816   3.4846  12.848   3.1153  22.781  1.5591 15.965  2.0223 6.815638       2.553508  
1 1 1 14  20  23 o 33.736  1.8138 56.605   6.0175  65.281   24.495  56.048   6.2077  34.415  7.4289 33.559  1.8817 0.8556671      7.663509  
1 1 1 14  21  6  o 26.488  3.3767 35.607   8.6274  39.699   15.306  33.701   10.445  27.365  5.8444 25.544  4.2949 1.821154       7.252831  
1 1 1 14  21  7  o 50.017  2.5451 124.631  12.524  143.042  22.638  116.511  15.034  53.136  4.3545 48.229  3.1758 4.907337       5.389618  
1 1 1 14  21  8  o 41.167  6.8490 89.684   26.852  68.408   37.485  112.108  38.484  34.881  10.226 45.183  8.9458 -10.30168      13.58640  
1 1 1 14  21  9  o 63.452  2.8878 200.403  18.086  207.742  56.153  199.553  19.104  61.535  9.5551 63.285  3.0584 -1.749290      10.03261  
1 1 1 14  21  10 o 93.385  2.0699 432.284  19.080  422.828  29.634  438.980  24.936  92.058  3.2613 93.963  2.6886 -1.905205      4.226674  
1 1 1 14  21  11 o 34.026  3.9740 58.822   13.095  54.243   19.100  62.885   17.989  32.006  6.2701 34.796  5.4137 -2.790112      8.283887  
1 1 1 14  21  12 o 37.464  1.5987 69.454   5.9117  70.141   6.1779  61.993   20.360  37.645  1.6627 34.270  6.2494 3.375008       6.466772  
1 1 1 14  21  13 o 94.791  2.1803 445.694  20.399  469.322  32.825  430.830  26.037  96.910  3.4317 93.034  2.8354 3.875412       4.451504  
1 1 1 14  21  14 o 34.318  3.9127 59.814   13.017  49.200   19.751  67.964   17.307  30.279  6.7776 36.320  4.9572 -6.041050      8.397005  
1 1 1 14  21  15 o 69.252  1.6089 237.365  10.998  255.841  17.648  225.635  14.062  71.752  2.4919 67.449  2.1122 4.303276       3.266635  
1 1 1 14  21  16 o 13.075  1.7429 8.6149   2.1934  11.179   3.3763  6.7425   2.8851  14.818  2.3897 11.419  2.6159 3.399513       3.543124  
1 1 1 14  21  17 o 18.144  6.8103 13.516   16.516  5.9256   24.136  20.200   22.650  18.643  7.8081 21.459  7.9907 -2.815966      11.17219  
1 1 1 14  21  18 o 57.934  1.6359 166.186  9.3547  156.090  13.390  175.811  13.074  56.037  2.4210 59.504  2.2261 -3.467613      3.288836  
1 1 1 14  21  19 f 27.601  1.2859 37.678   3.5031  45.929   5.0840  30.220   4.8338  30.403  1.7010 24.601  2.0082 5.801868       2.631778  
1 1 1 14  21  20 o 58.051  2.0906 167.294  11.979  167.312  13.397  167.220  26.749  58.011  2.3397 57.149  4.7860 0.8620224      5.327331  
1 1 1 14  21  21 f 64.951  3.3801 212.173  21.595  177.983  40.073  226.164  25.635  57.589  7.2077 66.859  3.9016 -9.269337      8.195928  
1 1 1 14  21  22 o 30.070  1.0405 44.700   3.0883  49.524   4.4288  40.133   4.3087  31.628  1.4187 28.422  1.5416 3.205486       2.095037  
1 1 1 14  22  8  o 15.899  6.2870 7.9775   14.613  10.870   21.028  5.2762   20.322  18.725  7.4970 17.245  7.1885 1.479677       10.38655  
1 1 1 14  22  9  o 31.557  1.7888 49.493   5.5487  56.085   18.178  48.816   5.8268  32.601  5.8648 31.326  1.8933 1.274624       6.162828  
1 1 1 14  22  10 o 33.820  4.1925 58.442   13.695  56.444   32.962  58.859   15.056  31.760  9.6570 33.817  4.6324 -2.057934      10.71061  
1 1 1 14  22  11 o 24.629  5.0550 31.886   11.877  31.077   17.905  32.523   15.871  24.112  7.0669 24.623  6.4524 -0.5107269     9.569418  
1 1 1 14  22  12 o 74.393  2.3949 274.992  17.586  274.208  26.400  275.618  23.578  73.967  3.6160 74.276  3.2160 -0.3087921     4.839278  
1 1 1 14  22  13 o 33.321  1.3221 54.911   4.3483  55.270   4.4923  49.568   17.317  33.428  1.3615 30.578  5.9518 2.849894       6.105498  
1 1 1 14  22  14 o 33.940  1.4903 57.004   4.9926  75.999   7.1773  39.196   6.9495  39.160  1.8569 27.958  2.5462 11.20141       3.151419  
1 1 1 14  22  15 o ?       ?      -10.3989 1.7925  2.8400   16.947  -10.5486 1.8026  15.467  6.5136 ?       ?      0.000000       6.513616  
1 1 1 14  22  16 o 17.434  6.6630 11.766   15.980  11.440   24.425  12.011   21.130  19.786  8.0240 19.000  7.5452 0.7860489      11.01430  
1 1 1 14  22  17 o 63.626  2.7049 201.745  16.987  203.922  26.361  200.200  22.215  63.393  4.2373 63.056  3.5841 0.3374748      5.549804  
1 1 1 14  22  18 o 56.136  1.3875 155.935  7.6880  172.883  12.707  146.148  9.6559  58.991  2.1823 54.296  1.8017 4.695759       2.829940  
1 1 1 14  22  19 o 24.258  5.1795 31.230   12.024  40.724   18.019  23.609   16.145  27.323  6.7266 21.240  6.8046 6.082663       9.568167  
1 1 1 14  22  20 o 10.247  2.7479 5.4230   2.8364  12.682   16.059  5.1892   2.8817  17.624  6.6928 10.048  2.8008 7.576353       7.255171  
1 1 1 14  22  21 o 21.435  6.6826 24.549   15.667  31.351   24.435  19.801   20.416  24.309  8.3878 20.597  7.6029 3.712278       11.32081  
1 1 1 14  23  11 o 96.734  6.5310 491.600  61.993  478.329  88.148  504.588  87.202  91.982  9.8630 95.002  9.4239 -3.019798      13.64140  
1 1 1 14  23  12 o 35.006  4.0447 62.630   13.718  62.480   20.233  62.758   18.662  34.207  6.2219 34.492  5.6792 -0.2854767     8.424084  
1 1 1 14  23  13 o 28.309  4.6994 41.763   12.671  51.593   19.368  34.408   16.753  30.894  6.5547 25.174  6.6449 5.719997       9.333738  
1 1 1 14  23  14 o 37.120  3.7824 70.066   13.665  72.732   21.520  68.264   17.688  37.004  6.1050 36.213  5.0890 0.7907257      7.947906  
1 1 1 14  23  15 o 22.353  7.4053 26.023   19.038  27.829   30.235  24.838   24.507  24.399  9.2029 22.790  8.3427 1.609610       12.42158  
1 1 1 14  23  16 o 54.105  3.4803 147.677  18.487  146.283  25.151  149.315  27.267  53.319  4.8315 53.698  5.2101 -0.3783913     7.105576  
1 1 1 14  23  17 o 40.651  3.7100 83.950   14.722  75.485   23.249  89.616   19.021  37.441  6.5283 41.660  4.7084 -4.219086      8.049101  
1 1 1 14  23  18 o 28.143  1.2178 39.182   3.3829  50.682   6.0764  34.017   4.0723  31.890  1.9397 26.153  1.5851 5.737335       2.504935  
1 1 1 14  23  19 o 61.462  8.3841 211.471  49.536  203.180  60.378  228.543  86.641  57.931  10.961 56.450  15.208 1.481270       18.74625  
1 1 1 15  -14 0  o 26.569  1.1302 34.900   2.9640  24.923   4.2132  44.676   4.1707  22.333  1.9303 30.046  1.4063 -7.713255      2.388252  
1 1 1 15  -14 1  o 29.017  1.0277 41.613   2.9435  42.024   2.9563  -5.5424  31.666  29.160  1.0272 18.946  8.4264 10.21351       8.488744  
1 1 1 15  -14 2  o 9.4313  1.0807 4.4543   0.9879  1.2428   1.3835  7.7952   1.4111  5.4987  1.9869 12.503  1.1565 -7.004530      2.298990  
1 1 1 15  -13 0  o 21.056  1.2183 21.991   2.5212  23.859   3.4958  19.966   3.6395  21.893  1.6294 19.987  1.8665 1.906301       2.477630  
1 1 1 15  -13 1  o 36.296  1.2991 65.143   4.6540  57.039   6.5823  73.245   6.5814  33.862  1.9780 38.457  1.7338 -4.594860      2.630306  
1 1 1 15  -13 2  o 40.691  3.4286 83.391   13.642  83.759   14.409  80.201   42.393  40.734  3.6215 37.234  10.863 3.499851       11.45056  
1 1 1 15  -13 3  o 22.167  1.2460 24.370   2.7152  26.153   3.8077  22.526   3.8728  22.920  1.6952 21.240  1.8662 1.679117       2.521157  
1 1 1 15  -13 4  o 93.887  1.9353 436.951  17.935  438.797  25.227  435.065  25.502  93.883  2.7224 93.470  2.7642 0.4126282      3.879728  
1 1 1 15  -13 5  o 54.014  1.5742 144.417  8.3924  141.734  14.795  145.690  10.190  53.260  2.8245 54.214  1.9044 -0.9533768     3.406493  
1 1 1 15  -13 6  o 36.551  7.6965 73.053   26.889  79.943   37.918  66.082   38.137  37.255  10.071 33.939  10.401 3.315311       14.47775  
1 1 1 15  -12 0  o 93.070  1.7847 428.909  16.395  428.901  22.727  428.918  23.674  92.926  2.4779 92.902  2.5817 0.2349854E-01  3.578426  
1 1 1 15  -12 1  o 77.918  1.5640 300.384  12.028  322.083  16.789  277.499  17.241  80.600  2.1103 74.775  2.3361 5.824753       3.148101  
1 1 1 15  -12 2  o 97.976  2.3227 476.368  22.462  515.754  33.064  442.613  30.610  101.662 3.2951 94.179  3.2929 7.483292       4.658413  
1 1 1 15  -12 3  o 24.226  4.2563 30.320   9.8060  28.841   12.874  32.362   15.134  23.346  5.6484 24.656  6.2192 -1.310600      8.401296  
1 1 1 15  -12 4  o 35.450  1.0174 62.086   3.5598  59.681   4.4286  66.477   5.9841  34.745  1.2913 36.650  1.6542 -1.904793      2.098542  
1 1 1 15  -12 5  o 65.270  1.3789 210.659  8.8835  224.693  12.392  195.823  12.742  67.354  1.8640 62.854  2.0538 4.499916       2.773562  
1 1 1 15  -12 6  o 110.798 1.9107 608.186  20.896  601.832  29.065  614.985  30.063  110.014 2.6766 111.190 2.7393 -1.175934      3.829876  
1 1 1 15  -12 7  o 51.059  1.4021 128.938  7.0660  130.463  10.194  127.527  9.8033  51.302  2.0131 50.727  1.9579 0.5743523      2.808236  
1 1 1 15  -12 8  o 52.157  1.4251 134.569  7.3366  108.083  11.011  155.714  9.8385  46.583  2.4030 56.069  1.7778 -9.486458      2.989137  
1 1 1 15  -11 0  o 81.186  1.9911 326.483  15.955  314.302  19.124  354.382  28.943  79.586  2.4345 84.268  3.4797 -4.682838      4.246746  
1 1 1 15  -11 1  o 31.351  3.3224 49.528   10.125  56.042   14.246  42.879   14.392  33.114  4.4730 28.692  5.2763 4.421989       6.917107  
1 1 1 15  -11 2  o 63.457  2.9622 200.314  18.553  221.439  25.136  175.027  27.500  66.432  3.8499 58.763  4.7829 7.669270       6.139827  
1 1 1 15  -11 3  o 56.232  2.2704 156.783  12.601  0.0000   0.0000  156.783  12.601  ?       ?      56.232  2.2704 0.000000       2.270415  
1 1 1 15  -11 4  o 17.745  6.8744 11.048   17.173  22.269   23.747  -1.2531  24.864  22.405  8.2108 17.722  7.6846 4.683241       11.24591  
1 1 1 15  -11 5  o 81.994  6.5209 346.779  52.338  343.186  73.992  350.378  74.043  79.623  9.6090 80.542  9.4964 -0.9184341     13.50984  
1 1 1 15  -11 6  o 29.979  8.5547 48.736   26.559  64.986   48.122  41.618   31.849  34.558  11.776 28.370  9.5808 6.187380       15.18115  
1 1 1 15  -11 7  o 31.918  7.6383 55.016   23.743  54.227   33.290  55.834   33.871  31.542  9.7262 31.955  9.8035 -0.4137478     13.80969  
1 1 1 15  -11 8  o 34.561  7.4423 64.231   24.637  77.682   34.865  50.815   34.820  37.389  9.4445 30.735  10.007 6.654091       13.75988  
1 1 1 15  -11 9  o 80.462  6.4769 335.011  51.003  345.762  72.097  324.242  72.161  79.845  9.3238 77.013  9.7088 2.832161       13.46083  
1 1 1 15  -11 10 o 32.171  7.8342 56.486   24.645  61.363   35.308  51.851   34.415  33.119  9.9779 30.796  9.9422 2.323078       14.08564  
1 1 1 15  -10 0  o 79.774  7.4924 330.455  58.304  342.071  71.730  307.839  100.092 80.178  9.2324 72.365  14.518 7.813683       17.20517  
1 1 1 15  -10 1  o 82.624  7.4182 353.700  59.853  364.543  73.685  332.669  102.617 82.888  9.1594 75.587  14.278 7.301445       16.96306  
1 1 1 15  -10 2  o 48.777  8.1995 126.294  38.075  114.720  46.534  149.738  66.229  45.494  10.565 50.886  13.106 -5.391376      16.83455  
1 1 1 15  -10 3  f 19.859  7.4297 15.910   19.626  9.4002   24.823  26.764   32.052  19.806  8.0677 25.210  9.4824 -5.404594      12.45003  
1 1 1 15  -10 4  o 32.398  7.4086 56.025   23.176  57.869   32.762  54.177   32.789  32.678  9.5540 31.738  9.6274 0.9404850      13.56342  
1 1 1 15  -10 5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -10 6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -10 7  o 98.737  6.4288 499.954  62.312  504.313  88.242  495.618  88.002  97.211  9.3105 96.313  9.3759 0.8977051      13.21341  
1 1 1 15  -10 8  o 45.417  7.0474 108.339  30.568  120.945  42.974  95.427   43.491  46.951  9.5971 41.231  10.621 5.719528       14.31497  
1 1 1 15  -10 9  o 42.129  7.2604 93.909   29.101  80.948   40.888  107.214  41.427  38.015  10.533 44.034  9.7853 -6.018841      14.37725  
1 1 1 15  -10 10 o 24.523  7.7148 31.278   20.828  31.722   29.822  30.855   29.101  25.777  9.2355 25.463  9.1231 0.3140850      12.98172  
1 1 1 15  -10 11 o 54.271  6.9207 154.260  36.228  153.070  51.214  155.453  51.255  52.353  10.278 52.813  10.202 -0.4596138     14.48134  
1 1 1 15  -9  0  o 48.315  2.0823 115.534  9.9301  118.931  14.001  112.096  14.087  48.868  2.9159 47.421  3.0253 1.446541       4.201766  
1 1 1 15  -9  1  o 14.519  1.1406 10.477   1.6215  8.9973   2.3298  11.866   2.2580  13.367  1.8127 15.422  1.5025 -2.055268      2.354385  
1 1 1 15  -9  2  o 25.296  0.7470 31.591   1.8651  33.513   2.6367  29.666   2.6387  26.050  1.0254 24.508  1.0908 1.541674       1.497107  
1 1 1 15  -9  3  o 88.395  1.7491 386.372  15.261  395.370  21.417  377.092  21.751  89.338  2.4288 87.235  2.5261 2.102791       3.504337  
1 1 1 15  -9  4  o 20.889  1.2273 21.629   2.5194  19.758   3.5003  23.641   3.6291  19.907  1.8009 21.800  1.7000 -1.893370      2.476556  
1 1 1 15  -9  5  o 74.232  2.4227 273.020  17.751  239.889  62.379  275.940  18.516  67.078  9.7035 74.617  2.5141 -7.538879      10.02390  
1 1 1 15  -9  6  o 41.215  1.5501 83.975   6.3058  80.578   16.831  84.530   6.8012  39.918  4.3418 41.346  1.6665 -1.427410      4.650659  
1 1 1 15  -9  7  f 19.117  1.1408 18.118   2.1428  16.897   2.8764  19.641   3.2121  18.417  1.5982 19.861  1.6536 -1.443840      2.299643  
1 1 1 15  -9  8  o 110.981 1.9732 609.679  21.615  597.439  29.836  623.199  31.358  109.705 2.7553 112.026 2.8359 -2.320770      3.954041  
1 1 1 15  -9  9  o 101.147 1.7827 506.191  17.798  519.435  25.261  493.137  25.079  102.335 2.5009 99.701  2.5485 2.633751       3.570604  
1 1 1 15  -9  10 o 27.109  1.0745 36.304   2.8751  29.339   4.0924  43.092   4.0402  24.292  1.7179 29.526  1.3863 -5.233686      2.207490  
1 1 1 15  -9  11 o 67.095  1.5848 222.647  10.495  215.476  16.145  227.895  13.811  65.903  2.4820 67.831  2.0628 -1.927490      3.227357  
1 1 1 15  -9  12 o 57.920  2.3387 166.379  13.370  152.823  19.827  177.685  18.107  55.197  3.6599 59.669  3.0850 -4.472282      4.786679  
1 1 1 15  -8  0  o 202.688 2.9000 2036.95  58.018  2049.52  81.732  2024.18  82.372  202.851 4.0821 201.566 4.1403 1.284332       5.814239  
1 1 1 15  -8  1  o 77.255  1.7575 295.038  13.402  300.154  18.930  289.897  18.976  77.860  2.4632 76.513  2.5127 1.346870       3.518654  
1 1 1 15  -8  2  o 117.458 1.9451 682.233  22.550  674.748  31.887  689.722  31.894  116.692 2.7684 117.985 2.7387 -1.292809      3.894227  
1 1 1 15  -8  3  o 35.186  1.1835 61.145   4.1102  59.457   5.7637  62.892   5.8630  34.684  1.6836 35.672  1.6652 -0.9882660     2.367995  
1 1 1 15  -8  4  o 31.352  1.2787 48.552   3.9569  50.768   5.5431  46.249   5.6502  31.998  1.7619 30.526  1.8845 1.472628       2.579807  
1 1 1 15  -8  5  o 78.790  1.7865 306.909  13.893  302.448  19.105  311.917  20.241  78.153  2.4767 79.355  2.5842 -1.202179      3.579367  
1 1 1 15  -8  6  o 36.082  1.7525 64.363   6.2413  86.933   35.714  63.652   6.3389  40.266  9.1887 35.880  1.7899 4.385506       9.361424  
1 1 1 15  -8  7  o 78.727  1.6254 306.374  12.631  288.886  16.454  331.461  19.708  76.399  2.1820 81.805  2.4407 -5.406609      3.273873  
1 1 1 15  -8  8  o 71.345  1.7806 251.726  12.539  246.093  17.457  257.729  18.021  70.471  2.5098 72.115  2.5318 -1.644157      3.564985  
1 1 1 15  -8  9  o 44.737  1.9682 99.039   8.6911  97.661   12.462  100.343  12.127  44.267  2.8676 44.890  2.7502 -0.6233559     3.973303  
1 1 1 15  -8  10 o 20.715  3.8825 22.090   7.6466  23.073   11.173  21.225   10.488  21.002  5.3690 20.161  5.2267 0.8409863      7.492970  
1 1 1 15  -8  11 f 2.8884  1.3968 -1.9878  1.2143  5.0867   11.974  -2.0613  1.2206  14.106  5.6539 2.8699  1.3909 11.23559       5.822466  
1 1 1 15  -8  12 o 71.542  1.7602 253.224  12.429  257.087  17.387  249.187  17.775  72.003  2.4465 70.875  2.5409 1.128304       3.527243  
1 1 1 15  -8  13 o 57.701  1.8905 164.811  10.767  173.672  15.542  156.634  14.930  59.144  2.6623 56.164  2.6932 2.979992       3.786946  
1 1 1 15  -8  14 o 70.406  1.6571 245.259  11.516  247.964  18.236  243.465  14.851  70.660  2.6147 70.088  2.1468 0.5721207      3.383070  
1 1 1 15  -7  0  o 102.558 1.8019 519.886  18.240  524.972  25.271  514.355  26.354  102.987 2.4861 101.924 2.6196 1.063080       3.611484  
1 1 1 15  -7  1  o 56.845  1.4799 159.633  8.3032  149.015  11.467  171.335  12.038  54.893  2.1165 58.863  2.0720 -3.970005      2.961859  
1 1 1 15  -7  2  o 46.187  1.3032 105.360  5.9409  112.424  8.3779  98.215   8.4256  47.695  1.7796 44.574  1.9151 3.120853       2.614311  
1 1 1 15  -7  3  o 72.804  1.4744 261.837  10.595  265.903  14.726  257.473  15.256  73.335  2.0345 72.156  2.1420 1.178978       2.954195  
1 1 1 15  -7  4  o 28.533  0.8044 40.192   2.2654  41.254   3.1814  39.098   3.2266  28.904  1.1151 28.138  1.1618 0.7660732      1.610346  
1 1 1 15  -7  5  o 158.024 2.1972 1235.11  34.271  1241.61  48.152  1228.44  48.789  158.271 3.0823 157.416 3.1401 0.8548889      4.400076  
1 1 1 15  -7  6  o 69.426  1.3667 238.088  9.3655  244.771  13.493  231.874  13.010  70.362  1.9428 68.485  1.9247 1.877716       2.734734  
1 1 1 15  -7  7  o 52.012  6.7319 138.629  33.749  114.272  47.416  163.638  48.047  45.986  10.655 55.834  9.0262 -9.848511      13.96433  
1 1 1 15  -7  8  o 68.416  1.7193 231.369  11.610  243.576  16.726  220.019  16.128  70.144  2.4159 66.663  2.4512 3.481232       3.441628  
1 1 1 15  -7  9  o 45.691  1.9311 103.254  8.7091  94.976   12.274  111.649  12.360  43.673  2.8632 47.394  2.6528 -3.721142      3.903208  
1 1 1 15  -7  10 o 63.193  1.5133 197.367  9.4387  201.740  15.155  194.596  12.064  63.819  2.4060 62.718  1.9488 1.100750       3.096201  
1 1 1 15  -7  11 o 106.476 1.8180 560.782  19.107  551.730  27.744  568.948  26.352  105.476 2.6649 107.142 2.4918 -1.665993      3.648407  
1 1 1 15  -7  12 o 81.564  1.5259 328.887  12.285  314.754  17.903  341.464  16.888  79.709  2.2755 83.051  2.0602 -3.341637      3.069569  
1 1 1 15  -7  13 o 63.483  1.7676 199.368  11.076  203.989  16.178  195.291  15.195  64.132  2.5558 62.762  2.4529 1.369820       3.542422  
1 1 1 15  -7  14 o 149.843 2.2565 1112.64  33.374  1110.99  48.253  1114.15  46.209  149.397 3.2723 149.664 3.1281 -0.2667542     4.526899  
1 1 1 15  -7  15 o 84.928  1.7557 356.925  14.718  342.192  20.812  371.664  20.816  83.034  2.5393 86.555  2.4365 -3.521332      3.519186  
1 1 1 15  -6  0  o 153.540 2.4279 1166.28  36.794  1184.51  49.987  1144.72  54.358  154.582 3.2761 151.889 3.6258 2.693665       4.886651  
1 1 1 15  -6  1  o 90.446  1.7767 404.223  15.861  389.295  21.638  421.561  23.319  88.708  2.4713 92.303  2.5595 -3.594994      3.557859  
1 1 1 15  -6  2  o 16.022  0.7431 12.671   1.1751  14.212   1.6210  10.965   1.7059  16.938  0.9737 14.856  1.1729 2.082530       1.524380  
1 1 1 15  -6  3  o 87.861  1.7806 381.434  15.441  373.150  21.527  390.212  22.161  86.850  2.5112 88.812  2.5281 -1.961952      3.563333  
1 1 1 15  -6  4  o 137.220 2.1995 930.977  29.790  894.436  42.778  965.385  41.511  134.358 3.2257 139.621 3.0121 -5.262390      4.413373  
1 1 1 15  -6  5  o 59.035  1.9652 172.256  11.451  163.920  15.811  181.452  16.606  57.546  2.7836 60.545  2.7788 -2.999462      3.933264  
1 1 1 15  -6  6  o 84.642  1.5826 353.919  13.222  350.192  19.123  357.333  18.300  84.148  2.3024 85.011  2.1810 -0.8628540     3.171417  
1 1 1 15  -6  7  o 61.608  1.8269 187.581  11.110  199.281  15.728  175.932  15.694  63.461  2.5110 59.618  2.6670 3.843628       3.663082  
1 1 1 15  -6  8  o 122.924 3.3507 749.451  40.654  756.162  43.898  709.018  107.749 123.425 3.6034 117.250 9.3891 6.174896       10.05685  
1 1 1 15  -6  9  o 119.205 1.9240 702.535  22.638  719.035  31.489  684.885  32.568  120.502 2.6475 117.581 2.8062 2.920731       3.857951  
1 1 1 15  -6  10 o 43.384  1.4216 92.987   6.0875  92.768   12.231  93.059   7.0186  43.166  2.8873 43.393  1.6387 -0.2275047     3.319915  
1 1 1 15  -6  11 o 96.280  1.8333 458.384  17.422  430.869  29.633  472.919  21.538  93.155  3.2228 97.748  2.2323 -4.593605      3.920444  
1 1 1 15  -6  12 o 70.620  1.3485 246.414  9.3999  252.285  13.672  241.151  12.945  71.411  1.9397 69.823  1.8783 1.588318       2.700059  
1 1 1 15  -6  13 o 101.294 1.8228 507.548  18.225  562.041  26.496  458.613  25.108  106.480 2.5210 96.164  2.6452 10.31651       3.654137  
1 1 1 15  -6  14 o 59.335  1.7731 174.152  10.385  180.692  15.621  168.972  13.901  60.357  2.6220 58.389  2.4121 1.967770       3.562732  
1 1 1 15  -6  15 o 26.363  1.1589 34.335   3.0156  31.280   4.2887  37.323   4.2410  25.086  1.7429 27.429  1.5731 -2.343092      2.347780  
1 1 1 15  -6  16 o 11.783  4.2994 5.6803   6.5012  0.3957   9.4076  10.511   8.9943  11.356  4.8215 14.971  5.0912 -3.614820      7.011913  
1 1 1 15  -5  0  o 129.212 2.0649 825.253  26.336  807.028  36.828  844.326  37.675  127.678 2.9223 130.595 2.9228 -2.917015      4.133104  
1 1 1 15  -5  1  o 91.396  1.6924 412.665  15.267  420.482  21.731  405.046  21.454  92.212  2.3876 90.503  2.4016 1.709496       3.386500  
1 1 1 15  -5  2  o 64.093  1.2142 202.833  7.6815  212.346  10.756  192.931  10.974  65.564  1.6621 62.491  1.7791 3.073463       2.434702  
1 1 1 15  -5  3  o 62.976  1.8172 195.944  11.296  190.227  15.377  202.644  16.647  62.019  2.5120 64.004  2.6351 -1.985332      3.640608  
1 1 1 15  -5  4  o 65.016  1.3032 208.732  8.3632  196.780  11.753  220.992  11.903  63.107  1.8868 66.881  1.8032 -3.773201      2.609889  
1 1 1 15  -5  5  o 67.640  1.8256 226.044  12.188  238.417  17.132  213.364  17.343  69.432  2.4998 65.673  2.6755 3.759262       3.661619  
1 1 1 15  -5  6  o 149.130 2.1157 1099.27  31.143  1060.64  44.392  1136.70  43.701  146.362 3.0729 151.542 2.9216 -5.180328      4.240102  
1 1 1 15  -5  7  o 104.782 1.6481 542.377  17.046  552.287  24.274  532.735  23.942  105.684 2.3270 103.796 2.3369 1.888420       3.297871  
1 1 1 15  -5  8  o 101.359 1.8364 507.670  18.372  519.534  25.741  495.350  26.230  102.477 2.5449 100.053 2.6561 2.424362       3.678477  
1 1 1 15  -5  9  o 39.132  1.6808 75.659   6.4919  75.991   6.5984  65.624   36.280  39.217  1.7046 35.263  9.9762 3.954216       10.12079  
1 1 1 15  -5  10 o 45.035  0.9400 100.130  4.1782  96.775   6.8416  102.126  5.2765  44.258  1.5661 45.476  1.1755 -1.217823      1.958218  
1 1 1 15  -5  11 f 39.618  1.1805 77.514   4.6162  86.983   10.711  75.354   5.1156  41.832  2.6070 39.058  1.3269 2.774162       2.925311  
1 1 1 15  -5  12 o 50.068  1.2593 123.822  6.2231  132.455  9.5670  117.491  8.1934  51.756  1.8727 48.753  1.7027 3.002975       2.531042  
1 1 1 15  -5  13 o 62.468  1.5331 192.861  9.4530  210.653  16.228  183.721  11.630  65.206  2.5214 60.944  1.9334 4.261776       3.177303  
1 1 1 15  -5  14 o 44.649  1.2379 98.486   5.4553  109.502  7.6759  87.242   7.7547  47.061  1.6525 41.995  1.8708 5.065613       2.496124  
1 1 1 15  -5  15 o 54.419  1.7822 146.484  9.5729  137.590  13.569  155.297  13.508  52.674  2.6099 55.977  2.4447 -3.303410      3.576068  
1 1 1 15  -5  16 o 59.338  1.3327 174.003  7.8053  192.733  10.948  154.641  11.131  62.418  1.7770 55.892  2.0177 6.526501       2.688653  
1 1 1 15  -5  17 o 103.808 1.8389 533.308  18.842  518.958  26.270  548.510  27.040  102.258 2.6028 105.128 2.6058 -2.870552      3.683048  
1 1 1 15  -4  0  o 42.407  0.9641 88.781   4.0353  86.083   5.7224  91.449   5.6913  41.751  1.3886 43.034  1.3399 -1.282459      1.929648  
1 1 1 15  -4  1  o 127.454 2.0625 802.778  25.946  814.067  37.747  792.667  35.723  128.252 2.9819 126.570 2.8595 1.682541       4.131356  
1 1 1 15  -4  2  o 80.004  1.7996 316.201  14.211  318.329  19.847  313.962  20.357  80.235  2.5061 79.678  2.5885 0.5574036      3.602876  
1 1 1 15  -4  3  o 169.116 2.8591 1414.98  47.726  1404.23  67.491  1425.73  67.498  168.259 4.0638 169.549 4.0333 -1.289642      5.725571  
1 1 1 15  -4  4  o 120.600 1.8658 718.545  22.210  689.691  30.226  752.407  32.743  118.096 2.5930 123.339 2.6896 -5.243111      3.736007  
1 1 1 15  -4  5  o 93.454  1.5712 431.349  14.493  430.581  20.147  432.172  20.864  93.338  2.1868 93.506  2.2606 -0.1677246     3.145261  
1 1 1 15  -4  6  o 103.722 1.7946 531.463  18.372  564.738  25.813  497.300  26.155  106.874 2.4470 100.275 2.6426 6.599297       3.601577  
1 1 1 15  -4  7  o 92.078  1.6121 418.761  14.651  423.214  20.879  414.442  20.565  92.527  2.2861 91.564  2.2754 0.9632416      3.225523  
1 1 1 15  -4  8  o 121.449 1.9087 728.807  22.881  765.846  32.209  691.071  32.510  124.431 2.6225 118.183 2.7870 6.247711       3.826817  
1 1 1 15  -4  9  o 149.925 2.2556 1111.27  33.379  1108.15  46.841  1114.49  47.578  149.585 3.1725 150.006 3.2134 -0.4207916     4.515601  
1 1 1 15  -4  10 o 36.488  1.2002 65.742   4.3225  73.120   5.9743  57.637   6.2618  38.474  1.5732 34.101  1.8675 4.372795       2.441818  
1 1 1 15  -4  11 o 148.292 2.2620 1087.57  33.109  1097.31  46.524  1077.58  47.128  148.803 3.1676 147.445 3.2383 1.357925       4.529915  
1 1 1 15  -4  12 o 81.486  1.4815 328.026  11.916  353.758  17.468  305.634  16.295  84.579  2.0925 78.615  2.1000 5.963760       2.964503  
1 1 1 15  -4  13 o 124.676 1.8717 768.541  23.033  769.329  33.087  767.799  32.084  124.618 2.6899 124.508 2.6107 0.1102600      3.748514  
1 1 1 15  -4  14 o 25.455  2.7488 32.492   6.7968  32.123   9.6028  32.862   9.6214  25.089  4.0130 25.391  3.9691 -0.3017349     5.644255  
1 1 1 15  -4  15 o 43.199  1.2175 92.189   5.1915  93.414   7.2578  90.906   7.4291  43.466  1.6917 42.875  1.7555 0.5905113      2.437954  
1 1 1 15  -4  16 o 39.013  2.1274 75.572   8.1612  76.790   11.326  74.257   11.771  39.219  2.9473 38.536  3.1214 0.6831169      4.293006  
1 1 1 15  -4  17 o 16.302  1.0091 13.176   1.6158  8.3143   2.2967  17.941   2.2737  12.830  1.8685 19.017  1.2177 -6.187766      2.230261  
1 1 1 15  -4  18 o 90.026  1.9395 401.227  17.234  384.472  20.645  439.742  31.301  88.059  2.3752 93.954  3.3753 -5.895309      4.127282  
1 1 1 15  -3  0  o 32.927  2.8700 54.047   9.2342  54.666   11.686  53.019   15.067  33.016  3.6470 32.305  4.8770 0.7105484      6.089822  
1 1 1 15  -3  1  o 276.396 3.3452 3782.67  91.260  3759.27  132.023 3804.07  126.291 275.036 4.8632 276.763 4.6231 -1.726318      6.709997  
1 1 1 15  -3  2  o 205.967 2.9751 2098.93  60.482  2098.95  89.928  2098.91  81.728  205.651 4.4303 205.750 4.0244 -0.9877014E-01 5.985230  
1 1 1 15  -3  3  f 133.876 2.0678 885.584  27.324  863.068  38.770  907.805  38.515  132.078 2.9739 135.468 2.8805 -3.390305      4.140223  
1 1 1 15  -3  4  o 166.572 2.4113 1371.55  39.645  1375.05  55.716  1367.97  56.423  166.652 3.3872 166.215 3.4392 0.4374237      4.827096  
1 1 1 15  -3  5  o 148.033 2.5371 1083.44  37.070  1072.04  52.424  1094.83  52.426  147.118 3.6102 148.679 3.5724 -1.561066      5.078957  
1 1 1 15  -3  6  o 39.924  2.7257 79.192   10.677  84.612   12.635  65.657   19.966  41.232  3.1280 35.853  5.8432 5.378780       6.627819  
1 1 1 15  -3  7  o 118.348 1.9875 692.020  23.216  727.745  31.961  652.114  33.780  121.309 2.6693 114.804 2.9810 6.505318       4.001469  
1 1 1 15  -3  8  o 107.612 1.8072 572.063  19.195  573.463  26.571  570.535  27.761  107.696 2.4996 107.411 2.6185 0.2849655      3.620032  
1 1 1 15  -3  9  o 98.101  1.7075 475.384  16.534  467.301  22.599  484.695  24.253  97.224  2.3549 99.008  2.4818 -1.783607      3.421223  
1 1 1 15  -3  10 o 212.785 2.8433 2240.45  59.717  2269.11  81.394  2207.03  87.883  213.904 3.8551 210.856 4.2227 3.048706       5.717767  
1 1 1 15  -3  11 o 163.555 2.4142 1322.91  38.974  1333.28  55.255  1312.65  54.981  164.024 3.4129 162.748 3.4227 1.275833       4.833496  
1 1 1 15  -3  12 o 97.921  1.7282 473.774  16.704  465.262  22.774  483.685  24.573  96.986  2.3790 98.874  2.5179 -1.888153      3.464056  
1 1 1 15  -3  13 o 117.564 1.9778 683.297  22.951  675.886  31.224  692.007  33.850  116.835 2.7076 118.191 2.9016 -1.356384      3.968634  
1 1 1 15  -3  14 o 15.383  1.5385 11.809   2.3046  16.204   8.9624  11.497   2.3848  17.750  4.9363 15.167  1.6179 2.582467       5.194711  
1 1 1 15  -3  15 o 46.546  1.8754 107.141  8.6161  104.577  11.783  110.088  12.631  45.867  2.6136 47.049  2.7316 -1.181637      3.780538  
1 1 1 15  -3  16 o 67.330  1.4460 224.034  9.6096  226.207  13.031  221.443  14.228  67.618  1.9524 66.884  2.1552 0.7338791      2.908070  
1 1 1 15  -3  17 o 87.737  1.9793 380.926  17.141  392.475  21.351  359.985  28.750  88.997  2.4306 85.064  3.4242 3.932533       4.199149  
1 1 1 15  -3  18 o 48.605  1.3217 116.741  6.3411  125.521  8.8039  107.276  9.1409  50.374  1.7707 46.555  1.9892 3.818703       2.663147  
1 1 1 15  -2  0  o 65.509  6.2714 216.087  40.055  217.364  55.765  214.725  57.572  65.059  8.9188 64.546  9.3056 0.5126724      12.88944  
1 1 1 15  -2  1  o 67.364  6.1687 228.154  40.561  215.643  57.255  240.758  57.469  64.741  9.2204 68.622  8.6788 -3.880821      12.66250  
1 1 1 15  -2  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -2  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -2  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -2  5  o 90.172  2.5106 401.940  22.345  409.892  30.946  393.278  32.298  90.993  3.4456 89.111  3.6720 1.881973       5.035484  
1 1 1 15  -2  6  o 186.365 2.7814 1717.58  51.163  1748.62  74.323  1689.62  70.537  187.836 4.0088 184.666 3.8699 3.169876       5.571922  
1 1 1 15  -2  7  o 151.333 2.5138 1132.15  37.549  1127.04  54.903  1136.64  51.466  150.845 3.6875 151.521 3.4413 -0.6765900     5.043815  
1 1 1 15  -2  8  o 68.626  1.4166 232.550  9.5953  246.977  13.374  217.244  13.775  70.706  1.9163 66.307  2.1047 4.399376       2.846399  
1 1 1 15  -2  9  o 72.563  1.4804 260.016  10.603  271.427  15.288  249.440  14.719  74.115  2.0898 71.050  2.0988 3.065643       2.961807  
1 1 1 15  -2  10 o 86.780  1.6054 371.937  13.751  372.866  19.609  371.037  19.289  86.854  2.2874 86.642  2.2555 0.2114716      3.212352  
1 1 1 15  -2  11 f 53.510  2.5048 141.589  13.229  149.283  46.071  140.898  13.811  53.637  9.0225 53.374  2.6216 0.2631531      9.395683  
1 1 1 15  -2  12 o 38.024  2.2351 71.723   8.3515  76.620   11.688  66.616   11.937  39.222  3.0430 36.517  3.3492 2.705082       4.525117  
1 1 1 15  -2  13 o 57.336  1.9428 162.476  10.995  168.037  15.589  156.973  15.508  58.268  2.7106 56.312  2.7901 1.955830       3.889998  
1 1 1 15  -2  14 o 63.345  1.4109 198.202  8.8215  198.281  11.867  198.104  13.188  63.335  1.8983 63.295  2.1110 0.4011917E-01  2.838981  
1 1 1 15  -2  15 o 63.977  1.5688 202.255  9.9067  198.548  14.857  205.223  13.294  63.337  2.3765 64.413  2.0909 -1.076862      3.165352  
1 1 1 15  -2  16 o 97.556  1.8269 470.607  17.591  459.637  24.518  482.244  25.254  96.318  2.5790 98.657  2.5934 -2.338173      3.657463  
1 1 1 15  -2  17 o 72.661  1.5369 260.960  11.022  262.582  14.912  259.007  16.366  72.841  2.0741 72.321  2.2926 0.5198898      3.091589  
1 1 1 15  -2  18 o 63.373  1.6696 198.582  10.444  209.098  12.517  174.487  18.947  65.007  1.9508 59.158  3.2574 5.848591       3.796884  
1 1 1 15  -2  19 o 32.459  1.1098 52.046   3.5556  55.452   5.1200  48.873   4.9415  33.490  1.5489 31.398  1.5998 2.091789       2.226723  
1 1 1 15  -1  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -1  1  o 167.580 7.7094 1407.81  127.519 1373.29  220.165 1425.23  156.430 162.213 13.885 167.698 9.4895 -5.484894      16.81769  
1 1 1 15  -1  2  o 79.219  6.0625 314.423  47.044  291.220  65.973  338.427  67.101  75.525  9.0290 81.650  8.4483 -6.124672      12.36513  
1 1 1 15  -1  3  o 166.821 6.6835 1388.96  110.050 1419.13  155.845 1358.95  155.423 167.435 9.4688 163.752 9.6588 3.683792       13.52595  
1 1 1 15  -1  4  o 170.426 7.7862 1455.17  130.978 1465.53  226.923 1450.00  160.392 167.874 13.818 169.195 9.6442 -1.321106      16.85051  
1 1 1 15  -1  5  o 107.518 7.2376 580.460  76.361  584.893  132.178 578.239  93.552  106.010 12.898 106.829 8.9548 -0.8190079     15.70181  
1 1 1 15  -1  6  o 160.088 9.5218 1297.68  149.777 0.0000   0.0000  1297.68  149.777 ?       ?      160.088 9.5218 0.000000       9.521750  
1 1 1 15  -1  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  -1  8  o 95.550  2.4072 451.238  22.703  435.796  32.096  466.702  32.118  93.826  3.4657 97.105  3.3510 -3.279655      4.820811  
1 1 1 15  -1  9  o 74.720  1.6868 275.742  12.441  279.076  17.933  272.648  17.273  75.141  2.4179 74.273  2.3562 0.8674545      3.376068  
1 1 1 15  -1  10 o 76.439  1.6753 288.581  12.640  286.060  18.235  290.913  17.536  76.072  2.4286 76.721  2.3157 -0.6481323     3.355669  
1 1 1 15  -1  11 o 139.962 2.3459 968.305  32.407  1009.03  44.734  923.325  47.013  142.781 3.1742 136.542 3.4883 6.239304       4.716355  
1 1 1 15  -1  12 o 54.371  1.5645 146.003  8.3957  0.0000   0.0000  146.003  8.3957  ?       ?      54.371  1.5645 0.000000       1.564451  
1 1 1 15  -1  13 o 104.032 1.8388 534.731  18.881  534.068  27.656  535.309  25.839  103.898 2.6968 104.035 2.5163 -0.1372910     3.688488  
1 1 1 15  -1  14 o 55.112  1.6338 150.056  8.8877  145.055  10.911  159.913  15.321  54.171  2.0407 56.841  2.7307 -2.670525      3.408998  
1 1 1 15  -1  15 o 106.024 2.1299 555.894  22.289  530.548  38.767  568.410  27.242  103.352 3.8003 107.161 2.5755 -3.809731      4.590783  
1 1 1 15  -1  16 o 63.303  1.4482 197.980  9.0489  212.805  12.532  181.829  13.080  65.602  1.9354 60.624  2.1859 4.978386       2.919564  
1 1 1 15  -1  17 f 41.043  1.3981 83.233   5.6638  87.703   6.5475  69.949   11.288  42.124  1.5747 37.417  3.0841 4.707836       3.462841  
1 1 1 15  -1  18 o 63.354  1.3723 198.327  8.5815  198.815  12.322  197.867  11.958  63.390  1.9693 63.243  1.9157 0.1469193      2.747408  
1 1 1 15  -1  19 o 74.305  1.5169 272.916  11.125  257.087  16.100  287.382  15.391  72.047  2.2640 76.199  2.0464 -4.151634      3.051759  
1 1 1 15  -1  20 f 67.097  1.8454 222.764  12.222  221.801  17.305  223.722  17.264  66.863  2.6222 67.154  2.6045 -0.2911758     3.695831  
1 1 1 15  0   0  o 94.116  2.1232 437.677  19.724  406.075  27.355  471.897  28.465  90.596  3.0591 97.671  2.9527 -7.075172      4.251604  
1 1 1 15  0   1  o 189.961 3.1921 1785.52  59.851  1800.82  84.983  1770.47  84.304  190.524 4.5191 188.911 4.5213 1.613220       6.392474  
1 1 1 15  0   2  o 58.109  7.0468 171.078  39.591  161.975  68.439  175.657  48.537  55.131  12.819 58.519  8.6650 -3.388050      15.47320  
1 1 1 15  0   3  o 37.700  6.3736 72.734   22.872  73.982   32.331  71.484   32.360  37.624  8.8535 36.975  8.9604 0.6491966      12.59660  
1 1 1 15  0   4  o 48.855  6.1830 120.713  29.148  133.904  41.241  107.548  41.202  51.001  8.4912 45.381  9.5029 5.619835       12.74386  
1 1 1 15  0   5  o 173.964 6.7229 1509.73  115.439 1545.84  163.264 1473.62  163.247 174.863 9.4949 170.614 9.7342 4.249023       13.59805  
1 1 1 15  0   6  o 210.664 7.1470 2217.01  148.609 2250.97  210.202 2183.09  210.128 211.006 10.093 207.723 10.249 3.282913       14.38396  
1 1 1 15  0   7  o 108.559 6.1946 588.857  66.101  574.088  93.416  603.668  93.547  106.468 8.9729 109.262 8.7475 -2.794083      12.53123  
1 1 1 15  0   8  o 125.749 9.1562 800.333  112.865 0.0000   0.0000  800.333  112.865 ?       ?      125.749 9.1562 0.000000       9.156204  
1 1 1 15  0   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  0   10 o 84.440  2.1355 352.300  17.799  309.733  25.154  394.982  25.188  79.116  3.2212 89.368  2.8555 -10.25219      4.304661  
1 1 1 15  0   11 f 139.974 2.1982 968.191  30.370  985.130  43.780  952.479  42.165  141.097 3.1436 138.747 3.0789 2.350418       4.400213  
1 1 1 15  0   12 o 172.164 2.5624 1465.55  43.543  1443.77  63.142  1485.30  60.127  170.698 3.7476 173.177 3.5176 -2.478760      5.139875  
1 1 1 15  0   13 o 123.777 9.1082 779.364  110.495 0.0000   0.0000  779.364  110.495 ?       ?      123.777 9.1082 0.000000       9.108211  
1 1 1 15  0   14 o 81.111  1.7013 325.013  13.621  342.266  21.064  312.616  17.857  83.183  2.5655 79.518  2.2751 3.665344       3.428997  
1 1 1 15  0   15 o 99.400  1.7967 488.236  17.628  490.534  25.218  486.041  24.650  99.567  2.5660 99.115  2.5197 0.4523849      3.596262  
1 1 1 15  0   16 o 52.731  1.4025 137.347  7.2996  129.655  11.448  142.617  9.4758  51.195  2.2655 53.718  1.7872 -2.522076      2.885588  
1 1 1 15  0   17 o 37.112  1.3337 68.039   4.8854  62.723   11.146  69.303   5.4352  35.407  3.2248 37.452  1.4703 -2.044640      3.544143  
1 1 1 15  0   18 o 132.979 2.0476 874.954  26.875  894.190  38.831  857.267  37.234  134.252 2.9304 131.465 2.8694 2.786758       4.101344  
1 1 1 15  0   19 o 64.058  1.8442 202.970  11.661  203.135  16.402  202.802  16.581  64.013  2.5959 63.958  2.6266 0.5591583E-01  3.692916  
1 1 1 15  0   20 o 77.180  1.5520 294.482  11.823  283.886  16.253  306.391  17.231  75.716  2.1747 78.655  2.2195 -2.938385      3.107332  
1 1 1 15  0   21 o 27.080  7.2286 39.032   19.683  46.340   27.638  31.512   28.036  29.459  8.8173 25.578  8.9757 3.881071       12.58206  
1 1 1 15  1   0  o 61.300  1.2115 185.521  7.3305  201.453  12.017  176.079  9.2510  63.860  1.9065 59.712  1.5696 4.147915       2.469505  
1 1 1 15  1   1  o 174.998 2.4551 1513.64  42.407  1475.54  59.133  1553.99  60.848  172.651 3.4700 177.180 3.4793 -4.528961      4.913913  
1 1 1 15  1   2  o 167.440 2.4255 1385.62  40.086  1352.25  56.689  1418.99  56.692  165.288 3.4747 169.329 3.3920 -4.041382      4.855867  
1 1 1 15  1   3  o 95.914  3.0383 455.011  28.763  453.450  30.715  466.133  81.992  95.735  3.2505 95.940  8.7548 -0.2055206     9.338807  
1 1 1 15  1   4  o 151.719 1.9970 1137.08  29.906  1150.29  41.823  1123.25  42.779  152.532 2.7780 150.718 2.8756 1.813751       3.998290  
1 1 1 15  1   5  o 91.658  1.5558 414.845  14.075  414.271  19.932  415.415  19.878  91.568  2.2053 91.695  2.1963 -0.1267014     3.112451  
1 1 1 15  1   6  o 124.210 2.2080 762.265  27.070  793.424  38.822  732.778  37.767  126.653 3.1055 121.713 3.1437 4.940033       4.418907  
1 1 1 15  1   7  o 93.683  6.1128 438.726  56.214  441.607  79.540  435.851  79.458  93.381  8.7310 92.752  8.7839 0.6294403      12.38496  
1 1 1 15  1   8  o 74.912  6.0640 281.135  44.453  271.162  62.879  291.100  62.853  72.930  8.9210 75.691  8.5636 -2.760567      12.36611  
1 1 1 15  1   9  o 218.970 7.2646 2396.39  157.011 2323.34  222.004 2469.50  222.091 214.147 10.503 220.952 10.184 -6.804306      14.62939  
1 1 1 15  1   10 o 63.331  7.0649 202.770  43.410  203.556  74.961  202.373  53.247  61.972  12.682 62.857  8.8256 -0.8846436     15.45070  
1 1 1 15  1   11 o 57.053  2.8280 160.974  15.926  181.246  20.575  130.674  25.154  60.410  3.4650 51.044  5.0591 9.365719       6.131995  
1 1 1 15  1   12 o 145.661 2.1021 1048.35  30.222  1047.41  43.957  1049.20  41.620  145.499 3.0608 145.643 2.8952 -0.1434631     4.213175  
1 1 1 15  1   13 o 91.197  1.5617 410.743  14.058  410.224  19.016  411.368  20.875  91.113  2.1145 91.228  2.3183 -0.1151886     3.137749  
1 1 1 15  1   14 o 163.531 3.2060 1324.07  51.748  1327.42  55.054  1298.66  151.620 163.704 3.4072 159.613 9.6697 4.091446       10.25237  
1 1 1 15  1   15 o 59.286  1.3065 173.567  7.6452  162.717  10.646  185.122  10.986  57.384  1.8796 61.210  1.8184 -3.825790      2.615213  
1 1 1 15  1   16 o 29.191  3.1740 42.722   8.9978  41.552   12.749  43.884   12.701  28.523  4.6916 29.362  4.5279 -0.8388042     6.520242  
1 1 1 15  1   17 o 71.889  1.4732 255.319  10.453  247.292  14.341  264.416  15.269  70.715  2.0547 73.118  2.1156 -2.402878      2.949158  
1 1 1 15  1   18 o 30.924  2.7552 47.768   8.3216  47.063   11.780  48.470   11.757  30.487  4.0123 30.961  3.9361 -0.4745502     5.620614  
1 1 1 15  1   19 o 76.320  1.4378 287.839  10.831  287.076  14.850  288.706  15.832  76.174  1.9751 76.378  2.1001 -0.2035980     2.882926  
1 1 1 15  1   20 o 79.196  1.9682 310.351  15.385  316.079  21.685  304.545  21.832  79.824  2.7522 78.343  2.8233 1.480438       3.942821  
1 1 1 15  1   21 o 77.329  1.8850 295.893  14.388  293.470  20.342  298.318  20.353  76.908  2.6797 77.544  2.6591 -0.6358032     3.775163  
1 1 1 15  2   0  o 141.296 2.2552 986.590  31.452  999.343  44.483  973.841  44.476  142.115 3.1711 140.286 3.2120 1.829773       4.513662  
1 1 1 15  2   1  o 17.592  0.7811 15.276   1.3563  9.7079   1.8147  22.322   2.0415  13.959  1.3334 21.265  0.9726 -7.306253      1.650429  
1 1 1 15  2   2  o 187.747 2.4708 1742.14  45.788  1759.56  65.126  1725.11  64.388  188.545 3.4995 186.691 3.4942 1.854050       4.945281  
1 1 1 15  2   3  o 34.707  1.8800 59.673   6.4163  59.836   8.6455  59.473   9.5732  34.701  2.5418 34.567  2.8307 0.1345291      3.804405  
1 1 1 15  2   4  o 174.519 3.2369 1506.72  55.757  1491.31  59.071  1632.68  168.842 173.596 3.4475 179.774 9.5495 -6.178314      10.15270  
1 1 1 15  2   5  o 127.637 1.8326 804.616  23.087  788.558  32.732  820.515  32.570  126.306 2.6255 128.845 2.5610 -2.538864      3.667730  
1 1 1 15  2   6  o 124.114 1.9427 760.881  23.800  734.653  34.158  785.625  33.179  121.897 2.8390 126.068 2.6664 -4.171448      3.894814  
1 1 1 15  2   7  o 56.577  1.3684 158.039  7.6418  157.632  8.3867  160.034  18.549  56.501  1.5038 56.777  3.3244 -0.2754326     3.648685  
1 1 1 15  2   8  o 122.327 6.2646 747.071  75.386  756.121  106.626 738.026  106.597 122.364 8.8890 120.850 9.0010 1.514526       12.65036  
1 1 1 15  2   9  o 217.779 7.2296 2369.28  155.404 2424.82  219.850 2313.83  219.700 219.024 10.170 213.832 10.409 5.192032       14.55245  
1 1 1 15  2   10 o 107.215 6.1808 574.343  65.131  602.252  92.207  546.553  92.012  109.177 8.6269 103.846 9.0678 5.330734       12.51591  
1 1 1 15  2   11 o 92.922  6.1417 431.927  56.012  423.549  79.206  440.308  79.221  91.343  8.8981 93.201  8.7128 -1.857437      12.45344  
1 1 1 15  2   12 o 142.452 2.1831 1002.71  30.695  992.379  43.197  1013.24  43.624  141.629 3.0901 143.111 3.0883 -1.481110      4.368786  
1 1 1 15  2   13 o 102.233 1.7946 516.253  18.109  536.686  25.675  496.027  25.545  104.193 2.4965 100.163 2.5838 4.030540       3.592895  
1 1 1 15  2   14 o 53.695  1.9079 142.439  10.111  159.290  15.186  129.020  13.552  56.751  2.7111 51.004  2.7016 5.746632       3.827333  
1 1 1 15  2   15 o 146.065 3.0283 1056.09  43.660  1069.94  46.382  948.349  129.358 146.994 3.1968 136.231 9.6833 10.76341       10.19733  
1 1 1 15  2   16 o 99.964  1.7019 493.703  16.792  500.556  23.138  486.077  24.408  100.608 2.3300 99.127  2.4946 1.480568       3.413529  
1 1 1 15  2   17 o 43.769  2.4855 95.106   10.694  100.803  15.135  89.426   15.112  44.949  3.4374 42.289  3.6564 2.660015       5.018439  
1 1 1 15  2   18 o 84.117  1.5471 349.628  12.845  337.142  17.760  363.323  18.600  82.551  2.1797 85.694  2.1991 -3.143433      3.096286  
1 1 1 15  2   19 o 53.434  2.0098 141.253  10.600  151.666  14.973  130.791  15.008  55.311  2.7427 51.258  2.9792 4.053181       4.049430  
1 1 1 15  2   20 o 33.210  2.8131 55.100   9.1344  59.917   13.018  50.427   12.821  34.458  3.8958 31.508  4.2291 2.949848       5.750059  
1 1 1 15  2   21 o 88.084  1.7172 383.708  14.930  382.690  20.680  384.816  21.576  87.882  2.3841 88.111  2.4808 -0.2291946     3.440683  
1 1 1 15  2   22 o 55.389  1.8072 151.805  9.8802  154.268  11.210  143.232  20.911  55.818  2.0348 53.390  3.9972 2.428047       4.485292  
1 1 1 15  3   0  o 150.497 2.0404 1118.99  30.310  1143.21  42.975  1095.03  42.755  152.037 2.8637 148.794 2.9112 3.243835       4.083625  
1 1 1 15  3   1  o 183.959 2.4215 1672.52  43.967  1659.01  61.877  1686.30  62.485  183.083 3.4241 184.581 3.4297 -1.499039      4.846406  
1 1 1 15  3   2  o 51.701  1.3282 131.970  6.7778  138.702  10.509  127.176  8.8686  52.989  2.0094 50.745  1.7707 2.244026       2.678228  
1 1 1 15  3   3  o 131.974 1.9873 860.356  25.887  837.222  36.201  884.566  37.033  130.128 2.8185 133.758 2.8050 -3.629822      3.976479  
1 1 1 15  3   4  o 20.147  2.9301 20.489   5.6559  20.665   7.3183  20.228   8.9125  20.098  3.8289 19.803  4.6407 0.2951756      6.016405  
1 1 1 15  3   5  o 162.191 2.2617 1299.74  36.207  1268.94  50.452  1332.45  51.993  160.167 3.1913 164.123 3.2095 -3.956726      4.526119  
1 1 1 15  3   6  o 65.584  1.4867 212.379  9.6239  213.170  15.056  211.832  12.514  65.682  2.3224 65.488  1.9360 0.1942749      3.023525  
1 1 1 15  3   7  o 153.438 2.4015 1163.41  36.371  1083.41  50.703  1248.20  52.202  147.964 3.4717 158.836 3.3297 -10.87198      4.810393  
1 1 1 15  3   8  o 270.955 3.9383 3636.00  105.327 3503.10  144.564 3786.37  153.770 265.509 5.5163 275.991 5.6447 -10.48172      7.892574  
1 1 1 15  3   9  o 191.840 7.9844 1842.91  151.187 1818.36  185.195 1891.95  261.782 189.569 9.9321 191.109 13.975 -1.539139      17.14479  
1 1 1 15  3   10 f 119.546 6.2562 713.668  73.564  731.036  104.058 696.314  104.013 120.308 8.8245 117.330 9.0514 2.977409       12.64116  
1 1 1 15  3   11 o 82.514  6.0713 340.786  49.100  359.021  69.641  322.763  69.235  84.155  8.5005 79.629  8.9649 4.526535       12.35426  
1 1 1 15  3   12 o 62.651  6.0231 197.222  36.787  193.397  52.033  201.045  52.016  61.411  8.8389 62.688  8.6358 -1.277439      12.35731  
1 1 1 15  3   13 o 276.405 4.1611 3787.66  113.523 3834.94  161.053 3740.97  160.045 277.499 5.8799 274.062 5.9164 3.436340       8.341320  
1 1 1 15  3   14 o 154.639 2.2580 1181.86  34.465  1195.66  48.765  1168.10  48.716  155.430 3.1786 153.624 3.2128 1.806427       4.519465  
1 1 1 15  3   15 o 71.947  1.8352 255.728  13.033  264.181  18.523  247.441  18.341  73.090  2.5675 70.733  2.6270 2.356873       3.673343  
1 1 1 15  3   16 o 69.159  1.4174 236.214  9.6757  209.692  13.434  264.804  13.948  65.134  2.0896 73.203  1.9304 -8.068779      2.844745  
1 1 1 15  3   17 o 143.132 2.0645 1012.81  29.167  1012.12  40.630  1013.54  41.897  142.967 2.8792 143.052 2.9673 -0.8499146E-01 4.134547  
1 1 1 15  3   18 o 105.278 1.8236 547.854  18.949  539.351  27.102  555.986  26.505  104.368 2.6308 105.978 2.5338 -1.609863      3.652586  
1 1 1 15  3   19 o 79.431  1.6776 311.870  13.152  305.118  17.607  320.395  19.784  78.515  2.2719 80.433  2.4920 -1.917801      3.372183  
1 1 1 15  3   20 o 82.786  1.5726 338.772  12.851  353.286  18.005  323.703  18.346  84.482  2.1592 80.852  2.2989 3.630577       3.153967  
1 1 1 15  3   21 o 108.261 1.8599 579.799  19.875  607.637  28.720  554.216  27.532  110.699 2.6285 105.719 2.6385 4.979965       3.724336  
1 1 1 15  3   22 o 50.106  2.8795 125.080  14.181  117.707  22.282  130.099  18.385  48.210  4.7439 50.956  3.6802 -2.745907      6.004102  
1 1 1 15  4   0  o 125.069 1.9735 772.768  24.363  780.038  33.390  764.490  35.627  125.601 2.6933 124.323 2.9033 1.277267       3.960209  
1 1 1 15  4   1  o 192.685 2.3474 1834.82  44.645  1782.19  63.033  1887.79  63.241  189.765 3.3653 195.320 3.2804 -5.555176      4.699549  
1 1 1 15  4   2  f 104.137 1.7376 535.577  17.860  522.989  25.601  547.511  24.927  102.865 2.5215 105.256 2.3993 -2.391411      3.480648  
1 1 1 15  4   3  o 67.840  1.2907 227.216  8.6427  211.828  12.173  242.859  12.273  65.488  1.8832 70.124  1.7732 -4.636124      2.586613  
1 1 1 15  4   4  o 108.161 1.7253 577.746  18.419  575.813  25.769  579.766  26.338  107.945 2.4186 108.312 2.4637 -0.3672333     3.452409  
1 1 1 15  4   5  o 172.458 3.7992 1472.56  64.671  0.0000   0.0000  1472.56  64.671  ?       ?      172.458 3.7992 0.000000       3.799234  
1 1 1 15  4   6  o 95.836  1.6728 453.558  15.824  449.548  21.680  458.129  23.149  95.385  2.3027 96.284  2.4358 -0.8993149     3.351949  
1 1 1 15  4   7  f 229.954 3.1561 2615.50  71.635  2533.79  101.031 2698.11  101.584 226.068 4.5278 233.310 4.4112 -7.242401      6.321347  
1 1 1 15  4   8  o 118.970 1.8289 699.050  21.476  661.399  29.943  738.936  30.819  115.676 2.6225 122.274 2.5536 -6.597565      3.660389  
1 1 1 15  4   9  f 57.114  1.0698 161.029  6.0310  162.371  8.2331  159.476  8.8595  57.345  1.4546 56.829  1.5794 0.5160027      2.147186  
1 1 1 15  4   10 o 108.731 6.1866 590.492  66.121  605.363  93.527  575.633  93.491  109.460 8.7292 106.654 8.9641 2.806152       12.51219  
1 1 1 15  4   11 o 201.484 7.0400 2027.14  140.007 2038.20  198.066 2016.09  197.933 200.848 9.9910 199.478 10.086 1.370834       14.19645  
1 1 1 15  4   12 o 85.236  6.0453 363.547  50.530  375.284  71.490  351.828  71.431  86.035  8.5309 83.197  8.8337 2.838310       12.28054  
1 1 1 15  4   13 o 127.735 1.9802 806.052  24.967  789.741  36.253  820.768  34.434  126.363 2.9066 128.839 2.7077 -2.476822      3.972446  
1 1 1 15  4   14 o 175.177 2.5545 1517.16  44.169  1574.93  62.705  1460.27  62.226  178.331 3.5624 171.699 3.6717 6.632553       5.115891  
1 1 1 15  4   15 o 37.117  1.4721 68.033   5.3930  59.950   12.930  69.736   5.9339  34.566  3.8554 37.576  1.5999 -3.010357      4.174172  
1 1 1 15  4   16 o 6.2517  2.9932 -7.4303  5.2602  -8.7300  7.5969  -6.2333  7.2906  7.8893  3.7249 8.1995  3.7976 -0.3102341     5.319470  
1 1 1 15  4   17 o 97.287  1.6723 467.599  16.059  442.021  22.053  496.471  23.430  94.539  2.3633 100.192 2.3692 -5.653214      3.346434  
1 1 1 15  4   18 o 97.805  1.7743 472.755  17.129  456.564  23.565  490.892  24.941  96.051  2.4856 99.591  2.5372 -3.539848      3.551857  
1 1 1 15  4   19 o 51.833  1.3531 132.720  6.9228  129.307  9.6009  136.415  9.9915  51.138  1.9021 52.524  1.9273 -1.385437      2.707836  
1 1 1 15  4   20 o 101.851 1.7766 512.948  17.861  504.462  25.831  520.722  24.723  100.894 2.5939 102.531 2.4429 -1.637062      3.563130  
1 1 1 15  4   21 o 57.933  1.5958 165.920  9.1251  170.203  11.406  158.303  15.210  58.649  1.9703 56.494  2.7276 2.155136       3.364800  
1 1 1 15  4   22 o 53.896  5.2355 147.493  27.500  147.493  27.500  0.0000   0.0000  53.896  5.2355 ?       ?      0.000000       5.235517  
1 1 1 15  4   23 o 21.382  7.0416 22.712   17.223  19.924   24.983  25.238   23.777  22.161  8.3638 23.257  8.2557 -1.096697      11.75204  
1 1 1 15  5   0  o 89.891  1.5680 399.047  13.912  414.279  19.923  384.551  19.436  91.561  2.2045 88.213  2.2323 3.347702       3.137321  
1 1 1 15  5   1  o 73.130  1.5048 264.082  10.862  267.136  15.110  260.817  15.625  73.532  2.0818 72.653  2.1789 0.8786011      3.013551  
1 1 1 15  5   2  o 165.130 2.2797 1347.41  37.157  1381.62  53.526  1315.58  51.621  167.105 3.2452 163.068 3.2072 4.037445       4.562620  
1 1 1 15  5   3  o 40.398  1.7666 80.600   7.0443  70.913   10.113  89.732   9.8182  37.775  2.7306 42.548  2.3469 -4.772881      3.600566  
1 1 1 15  5   4  o 229.466 3.4786 2605.80  78.788  2571.54  111.019 2640.57  111.830 227.633 4.9412 230.676 4.9116 -3.042953      6.966996  
1 1 1 15  5   5  o 99.466  1.7262 488.593  16.947  483.906  23.419  493.746  24.555  98.957  2.3976 99.953  2.4889 -0.9960098     3.455909  
1 1 1 15  5   6  f 93.004  2.4048 427.437  22.076  0.0000   0.0000  427.437  22.076  ?       ?      93.004  2.4048 0.000000       2.404791  
1 1 1 15  5   7  o 87.529  1.5633 378.306  13.506  356.755  19.071  399.990  19.130  84.973  2.2739 89.980  2.1540 -5.007164      3.132128  
1 1 1 15  5   8  o 121.676 1.8859 731.238  22.649  694.633  31.493  770.458  32.598  118.542 2.6916 124.848 2.6453 -6.305885      3.773870  
1 1 1 15  5   9  o 157.042 2.4540 1218.79  38.038  1239.10  53.403  1197.86  54.194  158.243 3.4190 155.574 3.5293 2.669220       4.913814  
1 1 1 15  5   10 o 151.617 2.5990 1136.26  38.894  1261.05  56.558  1024.29  53.572  159.613 3.5900 143.829 3.7736 15.78432       5.208502  
1 1 1 15  5   11 o 57.169  12.456 173.217  68.300  173.217  68.300  0.0000   0.0000  57.169  12.456 ?       ?      0.000000       12.45616  
1 1 1 15  5   12 o 88.502  6.0264 391.744  52.330  362.855  73.913  420.780  74.100  84.463  9.0046 91.208  8.3227 -6.744820      12.26173  
1 1 1 15  5   13 o 145.257 2.6895 1043.22  38.560  1015.25  53.679  1073.05  55.427  143.165 3.7987 147.182 3.8153 -4.016403      5.383938  
1 1 1 15  5   14 o 112.686 1.8320 627.235  20.376  620.320  28.389  634.584  29.263  112.014 2.5677 113.291 2.6169 -1.276718      3.666255  
1 1 1 15  5   15 o 133.627 2.1858 882.448  28.829  886.353  41.462  878.794  40.112  133.824 3.1390 133.263 3.0495 0.5612183      4.376397  
1 1 1 15  5   16 o 137.738 2.0409 937.531  27.746  930.546  38.843  944.809  39.648  137.135 2.8696 138.177 2.9071 -1.042297      4.084829  
1 1 1 15  5   17 o 24.627  1.4013 30.051   3.3922  28.999   21.366  30.078   3.4358  24.274  7.8335 24.637  1.4189 -0.3636665     7.960922  
1 1 1 15  5   18 o 72.435  1.5695 259.212  11.222  258.749  14.004  260.044  18.758  72.349  1.9610 72.484  2.6219 -0.1343613     3.274130  
1 1 1 15  5   19 o 136.755 2.2856 925.383  30.851  936.118  43.278  914.291  43.991  137.376 3.1917 135.745 3.2833 1.631012       4.578945  
1 1 1 15  5   20 o 136.359 2.1487 920.144  28.919  943.772  41.184  897.161  40.618  137.915 3.0254 134.458 3.0606 3.457245       4.303508  
1 1 1 15  5   21 o 62.519  1.6879 193.263  10.416  188.008  17.120  196.350  13.124  61.559  2.8177 62.982  2.1111 -1.423527      3.520788  
1 1 1 15  5   22 o 38.796  1.3879 74.381   5.3145  94.335   7.5734  55.022   7.4597  43.673  1.7569 33.250  2.2869 10.42242       2.883851  
1 1 1 15  5   23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  6   0  o 62.479  1.3687 192.756  8.4408  193.495  11.338  191.837  12.642  62.586  1.8355 62.309  2.0555 0.2763252      2.755728  
1 1 1 15  6   1  f 69.935  1.5116 241.523  10.434  244.715  12.915  235.523  17.705  70.385  1.8590 69.021  2.5989 1.364479       3.195330  
1 1 1 15  6   2  o 49.414  1.0366 120.535  5.0557  129.520  7.1530  111.567  7.1468  51.216  1.4150 47.533  1.5233 3.683823       2.079076  
1 1 1 15  6   3  o 258.941 3.8617 3320.84  98.699  3313.16  139.840 3328.46  139.323 258.174 5.4876 258.781 5.4545 -0.6065979     7.737306  
1 1 1 15  6   4  o 36.889  1.1131 67.178   4.0530  69.251   5.7799  65.171   5.6849  37.449  1.5637 36.329  1.5854 1.120110       2.226784  
1 1 1 15  6   5  o 103.425 1.7478 528.269  17.842  528.937  25.290  527.608  25.175  103.454 2.4766 103.324 2.4686 0.1296082      3.496791  
1 1 1 15  6   6  o 148.925 2.2436 1095.80  32.980  1066.63  48.226  1121.43  45.203  146.829 3.3276 150.584 3.0412 -3.755844      4.508019  
1 1 1 15  6   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  6   8  o 114.753 1.9270 650.431  21.827  631.478  30.386  670.636  31.373  113.022 2.7238 116.473 2.7290 -3.451118      3.855722  
1 1 1 15  6   9  o 138.141 2.2788 942.902  31.071  947.002  45.876  939.427  42.233  138.344 3.3596 137.816 3.1047 0.5283966      4.574514  
1 1 1 15  6   10 o 112.838 2.2393 629.097  24.940  648.519  44.015  619.914  30.267  114.431 3.8970 111.979 2.7384 2.452141       4.762938  
1 1 1 15  6   11 o 38.578  8.6311 77.612   32.044  74.550   45.384  80.656   45.249  37.988  11.283 39.317  11.148 -1.328403      15.86084  
1 1 1 15  6   12 o 81.255  12.664 345.635  98.259  345.635  98.259  0.0000   0.0000  81.255  12.664 ?       ?      0.000000       12.66430  
1 1 1 15  6   13 o 105.578 2.4212 550.934  25.232  608.269  35.279  490.894  36.101  110.872 3.2237 99.563  3.6736 11.30932       4.887521  
1 1 1 15  6   14 o 98.764  1.6976 481.761  16.548  475.709  23.397  487.820  23.409  98.102  2.4163 99.345  2.3873 -1.242790      3.396686  
1 1 1 15  6   15 o 26.321  1.3379 34.297   3.4645  24.673   11.242  35.307   3.6417  21.840  5.2746 26.704  1.3864 -4.863743      5.453731  
1 1 1 15  6   16 o 14.237  4.9986 8.8790   8.6955  5.2896   10.789  15.532   14.689  13.731  5.4109 18.641  6.4994 -4.909978      8.456978  
1 1 1 15  6   17 o 109.686 1.7293 594.380  18.722  586.643  25.620  603.247  27.427  108.919 2.3831 110.436 2.5162 -1.517914      3.465564  
1 1 1 15  6   18 o 110.779 6.2752 617.255  68.333  598.238  96.628  636.280  96.647  107.919 9.1577 111.457 8.8582 -3.537544      12.74097  
1 1 1 15  6   19 o 31.046  1.2512 47.605   3.8341  54.578   5.4148  40.593   5.4297  33.233  1.6507 28.589  1.9356 4.644611       2.543893  
1 1 1 15  6   20 o 68.656  2.0053 233.163  13.589  210.996  18.232  260.873  20.384  65.237  2.8314 72.537  2.8470 -7.300163      4.015268  
1 1 1 15  6   21 f 34.382  1.2640 58.401   4.2897  47.148   5.9806  70.324   6.1562  30.806  1.9773 37.715  1.6538 -6.908442      2.577708  
1 1 1 15  6   22 f 38.546  6.7160 77.652   24.623  72.799   34.240  82.850   35.436  36.590  9.4235 39.057  9.3216 -2.466763      13.25499  
1 1 1 15  6   23 o 80.414  6.2167 330.445  48.960  343.531  69.140  317.283  69.339  80.640  8.8309 77.205  9.2853 3.435150       12.81412  
1 1 1 15  7   0  o 118.999 1.8252 699.576  21.438  719.200  29.537  677.730  31.164  120.605 2.4813 117.056 2.6973 3.548744       3.664978  
1 1 1 15  7   1  o 151.247 2.1650 1130.43  32.320  1100.12  49.081  1153.63  42.947  149.073 3.3357 152.719 2.8491 -3.646439      4.386780  
1 1 1 15  7   2  o 14.481  3.7919 10.768   5.4839  11.133   7.2899  10.291   8.3232  14.949  4.5405 14.779  4.8964 0.1705236      6.677651  
1 1 1 15  7   3  o 112.495 1.8870 625.102  20.953  632.779  29.434  617.215  29.834  113.136 2.6358 111.731 2.7052 1.405090       3.776976  
1 1 1 15  7   4  o 71.373  1.5389 251.546  10.841  253.437  16.134  249.988  14.638  71.616  2.2825 71.135  2.0848 0.4816132      3.091294  
1 1 1 15  7   5  o 94.557  1.9272 441.638  17.986  430.231  30.655  447.626  22.211  93.247  3.3307 95.175  2.3644 -1.927681      4.084603  
1 1 1 15  7   6  o 126.198 1.9381 786.662  24.142  780.434  33.937  793.042  34.350  125.643 2.7365 126.653 2.7477 -1.009888      3.877971  
1 1 1 15  7   7  o 39.863  1.9579 78.494   7.7039  78.255   11.052  78.720   10.744  39.682  2.8405 39.809  2.7513 -0.1267471     3.954480  
1 1 1 15  7   8  o 63.664  2.4537 200.307  15.419  200.307  15.419  0.0000   0.0000  63.664  2.4537 ?       ?      0.000000       2.453715  
1 1 1 15  7   9  o 116.714 1.9171 672.852  22.085  706.975  32.340  643.036  30.231  119.583 2.7399 114.051 2.6855 5.531822       3.836558  
1 1 1 15  7   10 o 165.982 2.5980 1361.82  42.563  1355.01  59.863  1368.79  60.528  165.436 3.6660 166.272 3.6881 -0.8359680     5.200184  
1 1 1 15  7   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  7   12 f 51.923  6.0112 135.987  30.237  122.314  42.712  149.723  42.812  48.506  9.2590 54.029  8.2929 -5.522900      12.42984  
1 1 1 15  7   13 o 127.808 6.2733 814.325  79.138  769.424  111.885 859.278  111.952 123.181 9.2702 130.396 8.7489 -7.215416      12.74681  
1 1 1 15  7   14 o 42.614  0.9177 89.639   3.8597  93.769   5.4466  85.473   5.4705  43.580  1.2662 41.606  1.3321 1.973476       1.837869  
1 1 1 15  7   15 o 47.884  1.5189 113.234  7.1791  101.126  13.865  117.670  8.3915  45.095  3.1346 48.808  1.7419 -3.712860      3.586020  
1 1 1 15  7   16 o 111.464 1.9459 613.886  21.408  612.432  30.507  615.297  30.050  111.264 2.7779 111.529 2.7297 -0.2645493     3.894602  
1 1 1 15  7   17 f 69.592  1.9175 239.318  13.171  253.248  18.733  225.702  18.521  71.547  2.6527 67.536  2.7785 4.011162       3.841478  
1 1 1 15  7   18 o 15.782  0.7609 12.294   1.1852  10.901   1.6653  13.725   1.6873  14.814  1.1479 16.641  1.0323 -1.827110      1.543803  
1 1 1 15  7   19 o 13.111  4.8447 6.7245   8.2939  6.3209   10.136  7.5424   14.429  13.763  5.2954 15.943  6.2656 -2.179699      8.203545  
1 1 1 15  7   20 o 51.781  2.2322 132.694  11.409  122.887  16.472  141.736  15.816  49.629  3.3827 53.372  3.0147 -3.742516      4.531135  
1 1 1 15  7   21 f 69.752  1.3389 240.390  9.2179  222.798  11.808  267.833  14.748  67.121  1.7824 73.570  2.0310 -6.449142      2.702204  
1 1 1 15  7   22 o 92.984  6.2325 440.340  56.870  429.174  80.313  451.568  80.540  90.214  9.1458 92.704  8.9118 -2.489677      12.76972  
1 1 1 15  7   23 o 141.048 6.5468 1014.19  91.144  966.577  128.612 1062.22  129.184 134.853 9.7278 141.845 9.2781 -6.992813      13.44299  
1 1 1 15  7   24 o 44.463  3.8843 99.568   16.876  0.0000   0.0000  99.568   16.876  ?       ?      44.463  3.8843 0.000000       3.884344  
1 1 1 15  8   0  o 55.687  1.4532 153.149  7.9875  161.276  11.497  145.567  11.105  57.125  2.0391 54.271  2.0731 2.854630       2.907827  
1 1 1 15  8   1  o 25.874  0.8386 33.047   2.1417  33.475   3.0239  32.615   3.0338  26.039  1.1766 25.702  1.1959 0.3369522      1.677633  
1 1 1 15  8   2  o 26.687  1.0208 35.158   2.6888  33.621   3.7664  36.755   3.8396  26.052  1.4707 27.245  1.4328 -1.192947      2.053329  
1 1 1 15  8   3  o 146.017 2.4655 1053.89  35.534  995.566  43.415  1172.24  61.847  141.854 3.1007 153.789 4.0744 -11.93433      5.120049  
1 1 1 15  8   4  o 101.687 1.7340 510.690  17.404  507.853  24.599  513.533  24.627  101.366 2.4586 101.932 2.4477 -0.5659637     3.469297  
1 1 1 15  8   5  o 46.487  1.2051 106.688  5.5295  107.881  7.6009  105.348  8.0590  46.739  1.6476 46.184  1.7679 0.5543900      2.416608  
1 1 1 15  8   6  o 105.748 1.8168 552.316  18.964  548.761  26.563  556.011  27.081  105.366 2.5542 106.058 2.5870 -0.6915970     3.635416  
1 1 1 15  8   7  o 106.617 1.8228 561.432  19.182  573.741  26.959  548.810  27.298  107.740 2.5351 105.367 2.6248 2.372589       3.649191  
1 1 1 15  8   8  o 144.289 2.2811 1028.74  32.488  1087.00  45.777  969.617  46.114  148.238 3.1287 139.983 3.3375 8.254944       4.574653  
1 1 1 15  8   9  o 108.440 2.5195 581.222  26.968  581.222  26.968  0.0000   0.0000  108.440 2.5195 ?       ?      0.000000       2.519526  
1 1 1 15  8   10 o 137.947 2.2242 940.254  30.284  940.980  42.665  939.517  42.993  137.919 3.1341 137.808 3.1607 0.1101074      4.451149  
1 1 1 15  8   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  8   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  8   13 o 40.967  7.0955 86.234   27.652  63.339   47.725  97.804   33.926  35.755  11.719 43.452  8.2112 -7.697803      14.30934  
1 1 1 15  8   14 o 98.432  1.6732 478.530  16.256  444.937  22.760  513.514  23.226  94.874  2.4305 101.931 2.3086 -7.057541      3.352160  
1 1 1 15  8   15 o 80.127  2.0734 317.254  16.398  320.638  19.991  310.294  28.667  80.530  2.5151 79.138  3.6700 1.391830       4.449132  
1 1 1 15  8   16 o 124.214 2.0571 762.473  25.220  746.225  35.422  779.179  35.917  122.800 2.9224 125.485 2.8999 -2.684769      4.116985  
1 1 1 15  8   17 o 89.231  1.9442 393.467  17.123  398.248  24.454  388.869  23.984  89.711  2.7617 88.650  2.7410 1.060966       3.891028  
1 1 1 15  8   18 o 59.795  1.5611 176.628  9.2138  193.253  13.766  163.138  12.401  62.514  2.2310 57.439  2.1873 5.074661       3.124385  
1 1 1 15  8   19 o 51.501  2.2306 131.200  11.339  137.104  16.093  125.380  15.979  52.497  3.1199 50.178  3.2436 2.319523       4.500519  
1 1 1 15  8   20 o 62.913  2.0093 195.771  12.477  181.674  17.251  211.234  18.068  60.534  2.8872 65.282  2.8040 -4.747581      4.024722  
1 1 1 15  8   21 f 74.565  1.7995 274.967  13.244  275.180  20.086  274.804  17.616  74.493  2.7318 74.483  2.3962 0.9788513E-02  3.633764  
1 1 1 15  8   22 o 34.628  6.6732 62.959   21.981  65.854   30.956  60.015   31.218  34.886  8.9470 33.323  9.1925 1.563110       12.82770  
1 1 1 15  8   23 o 42.819  7.7011 97.113   31.351  88.271   52.378  102.049  39.136  39.681  12.194 43.279  9.4284 -3.597317      15.41381  
1 1 1 15  8   24 o 62.093  1.7360 190.770  10.640  174.962  21.127  196.141  12.316  59.097  3.6397 62.936  1.9825 -3.838757      4.144584  
1 1 1 15  9   0  o 75.158  1.5038 279.011  11.155  269.437  15.607  289.013  15.951  73.825  2.1418 76.461  2.1136 -2.636620      3.009067  
1 1 1 15  9   1  o 142.784 1.9351 1007.40  27.272  1035.74  38.606  979.179  38.531  144.693 2.7032 140.677 2.7749 4.015259       3.873951  
1 1 1 15  9   2  o 54.429  1.3460 146.284  7.2311  134.947  11.333  154.068  9.3910  52.254  2.1974 55.849  1.7036 -3.595455      2.780427  
1 1 1 15  9   3  o 114.062 1.8873 642.713  21.248  644.139  29.571  641.190  30.551  114.136 2.6249 113.867 2.7183 0.2694168      3.778776  
1 1 1 15  9   4  o 163.024 2.3671 1313.56  38.089  1347.06  54.458  1281.48  53.292  164.969 3.3445 160.901 3.3556 4.067337       4.737678  
1 1 1 15  9   5  o 38.862  1.4359 74.572   5.5079  76.564   6.5807  69.912   10.065  39.373  1.6933 37.503  2.7380 1.870800       3.219311  
1 1 1 15  9   6  o 106.270 1.8256 557.810  19.150  558.992  27.758  556.737  26.452  106.334 2.6447 106.127 2.5252 0.2065048      3.656712  
1 1 1 15  9   7  o 82.030  1.5065 332.269  12.197  345.871  17.180  318.443  17.320  83.671  2.0802 80.280  2.1858 3.390495       3.017492  
1 1 1 15  9   8  o 145.475 2.3022 1045.80  33.056  1011.39  47.107  1079.18  46.399  142.959 3.3384 147.691 3.1829 -4.732254      4.612569  
1 1 1 15  9   9  o 41.136  1.2035 83.540   4.8865  77.329   6.9343  89.666   6.8871  39.569  1.7755 42.611  1.6375 -3.042038      2.415332  
1 1 1 15  9   10 o 148.531 2.7604 1090.85  40.470  1096.90  52.789  1082.22  63.028  148.844 3.5932 147.738 4.3223 1.105804       5.620738  
1 1 1 15  9   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  9   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  9   13 o 86.122  2.4271 366.629  20.632  382.609  28.784  349.743  29.588  87.919  3.3170 84.038  3.5670 3.880333       4.870896  
1 1 1 15  9   14 o 35.456  1.2009 62.068   4.2026  63.000   5.9359  61.132   5.9509  35.715  1.6839 35.180  1.7138 0.5341034      2.402562  
1 1 1 15  9   15 o 93.029  1.8374 427.544  16.871  435.450  24.096  419.940  23.631  93.838  2.6015 92.152  2.5980 1.686058       3.676595  
1 1 1 15  9   16 o 46.957  2.3010 109.006  10.665  99.646   15.358  117.723  14.821  44.709  3.5084 48.667  3.1015 -3.957371      4.682805  
1 1 1 15  9   17 o 65.247  1.1249 210.193  7.2447  205.470  10.244  214.920  10.247  64.494  1.6092 65.962  1.5739 -1.467857      2.250947  
1 1 1 15  9   18 o 38.373  3.0632 73.409   11.506  80.068   17.946  68.761   14.992  39.841  4.6511 36.964  4.1827 2.876350       6.255222  
1 1 1 15  9   19 o 48.159  1.6069 114.603  7.6383  111.498  8.7159  124.878  15.858  47.493  1.8593 50.078  3.2255 -2.584808      3.723005  
1 1 1 15  9   20 o 55.977  2.5280 155.186  13.967  170.881  24.898  147.978  16.872  58.382  4.3521 54.519  3.1488 3.862202       5.371695  
1 1 1 15  9   21 o 121.746 2.1716 733.733  26.095  734.195  37.321  733.291  36.501  121.590 3.1097 121.531 3.0429 0.5873871E-01  4.350840  
1 1 1 15  9   22 o 35.296  6.6854 65.393   22.438  59.552   30.812  71.988   32.740  33.190  9.1229 36.416  9.1268 -3.225552      12.90446  
1 1 1 15  9   23 o 53.496  3.0317 142.699  15.942  139.065  46.545  143.183  16.969  50.569  9.6778 53.551  3.2254 -2.981667      10.20113  
1 1 1 15  9   24 o 64.427  2.3400 205.822  14.880  198.285  22.408  211.767  19.902  62.929  3.6230 65.237  3.0908 -2.307644      4.762244  
1 1 1 15  10  0  o 51.342  6.3034 134.167  31.272  122.563  44.639  145.350  43.823  48.084  9.7394 52.792  8.7142 -4.708588      13.06881  
1 1 1 15  10  1  o 68.141  1.3362 229.301  8.9872  240.243  12.288  216.718  13.178  69.729  1.7854 66.216  2.0163 3.512840       2.693179  
1 1 1 15  10  2  o 116.475 1.8914 670.336  21.745  708.472  31.864  637.099  29.748  119.669 2.6977 113.485 2.6557 6.183556       3.785544  
1 1 1 15  10  3  o 35.545  2.1585 62.670   7.5370  61.450   12.363  63.392   9.5083  35.031  3.6282 35.697  2.7191 -0.6659737     4.533986  
1 1 1 15  10  4  o 98.466  1.6848 478.880  16.374  505.233  23.630  454.536  22.711  101.099 2.3680 95.891  2.3995 5.208466       3.371214  
1 1 1 15  10  5  o 27.999  0.8987 38.697   2.4837  42.513   4.1978  36.642   3.0808  29.341  1.4495 27.243  1.1457 2.098269       1.847572  
1 1 1 15  10  6  o 105.953 1.7660 554.486  18.469  532.851  26.026  576.434  26.213  103.820 2.5397 107.988 2.4593 -4.168091      3.535284  
1 1 1 15  10  7  o 146.665 2.2000 1062.93  31.848  1045.81  44.933  1080.21  45.149  145.385 3.1312 147.762 3.0956 -2.376312      4.403121  
1 1 1 15  10  8  o 18.648  4.0652 17.904   7.2714  12.827   9.9660  23.683   10.633  16.384  5.3545 21.409  5.1039 -5.024920      7.397333  
1 1 1 15  10  9  o 15.083  1.0341 11.283   1.5301  11.253   2.1912  11.311   2.1377  15.021  1.4979 15.065  1.4557 -0.4365253E-01 2.088731  
1 1 1 15  10  10 o 114.737 2.1741 650.498  24.622  638.437  43.337  656.247  29.920  113.516 3.8678 115.210 2.6311 -1.693428      4.677882  
1 1 1 15  10  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  10  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  10  13 f 151.283 2.3140 1131.19  34.552  1127.10  48.934  1135.26  48.795  150.893 3.2856 151.442 3.2644 -0.5483093     4.631521  
1 1 1 15  10  14 o 156.567 2.3767 1211.78  36.729  1255.10  52.548  1170.40  51.357  159.211 3.3438 153.739 3.3844 5.471786       4.757693  
1 1 1 15  10  15 o 82.405  1.8816 335.498  15.304  339.767  21.839  331.379  21.452  82.881  2.6696 81.853  2.6552 1.028442       3.765258  
1 1 1 15  10  16 o 117.259 1.9204 679.412  22.227  682.932  31.258  675.812  31.612  117.492 2.6953 116.873 2.7403 0.6189194      3.843728  
1 1 1 15  10  17 o 75.084  1.5595 278.478  11.558  290.664  15.938  264.964  16.784  76.681  2.1058 73.199  2.3231 3.481483       3.135446  
1 1 1 15  10  18 o 24.737  1.0804 30.215   2.6380  34.137   3.6309  25.830   3.8392  26.252  1.4064 22.799  1.7187 3.453014       2.220786  
1 1 1 15  10  19 o 172.213 3.0540 1470.24  51.912  1472.52  93.265  1469.22  62.486  171.481 5.5103 171.979 3.6811 -0.4978790     6.626707  
1 1 1 15  10  20 o 79.292  2.2573 311.176  17.667  319.094  31.193  307.437  21.436  80.059  3.9475 78.758  2.7575 1.300079       4.815231  
1 1 1 15  10  21 o 118.714 3.7756 702.067  44.240  911.521  111.098 662.594  48.229  132.512 8.5395 115.187 4.2420 17.32513       9.535108  
1 1 1 15  10  22 o 45.214  6.4285 105.857  27.881  103.180  39.495  108.517  39.364  43.556  9.4577 44.787  9.2121 -1.231270      13.20267  
1 1 1 15  10  23 o 10.976  4.4242 2.7620   7.3767  -1.3472  12.382  5.0230   9.1845  12.527  5.4274 12.791  5.0072 -0.2640495     7.384297  
1 1 1 15  10  24 o 110.585 2.1807 606.052  23.803  600.471  35.133  610.787  32.362  109.799 3.2418 110.823 2.9585 -1.023903      4.388871  
1 1 1 15  11  0  o 32.292  1.3452 51.507   4.2876  51.701   4.9539  50.928   8.5595  32.348  1.5516 31.949  2.7409 0.3989124      3.149558  
1 1 1 15  11  1  o 43.665  1.4788 94.186   6.3737  95.178   6.5048  70.313   31.908  43.894  1.5014 36.422  8.9416 7.472237       9.066744  
1 1 1 15  11  2  o 63.408  1.4423 198.582  9.0269  228.199  15.110  182.143  11.257  67.933  2.2534 60.710  1.8785 7.223251       2.933697  
1 1 1 15  11  3  o 73.395  1.4028 266.028  10.163  282.247  14.681  251.106  14.082  75.574  1.9681 71.281  2.0015 4.292549       2.807020  
1 1 1 15  11  4  o 64.467  1.6076 205.274  10.229  200.896  14.356  209.789  14.579  63.749  2.2815 65.146  2.2674 -1.396305      3.216563  
1 1 1 15  11  5  o 233.109 3.5249 2691.72  81.103  2697.95  115.070 2685.58  114.328 232.941 5.0048 232.414 4.9838 0.5272827      7.062972  
1 1 1 15  11  6  o 131.381 2.1347 852.972  27.682  871.776  38.726  833.324  39.586  132.742 2.9557 129.766 3.0906 2.975677       4.276471  
1 1 1 15  11  7  o 107.479 1.8527 570.641  19.654  570.336  27.323  570.969  28.293  107.402 2.5774 107.454 2.6676 -0.5245972E-01 3.709353  
1 1 1 15  11  8  o 40.706  1.0451 81.801   4.1989  81.249   5.2677  82.763   6.9539  40.565  1.3156 40.934  1.7211 -0.3692131     2.166344  
1 1 1 15  11  9  o 108.667 1.8628 583.329  19.980  573.060  28.637  593.070  27.891  107.650 2.6951 109.522 2.5800 -1.872467      3.730996  
1 1 1 15  11  10 o 34.124  1.6247 57.510   5.4722  59.781   17.611  57.267   5.7572  34.263  5.3852 34.007  1.7208 0.2556763      5.653420  
1 1 1 15  11  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  11  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  11  13 o 97.057  1.7234 465.312  16.510  495.293  23.356  435.367  23.341  100.096 2.3639 93.835  2.5201 6.261192       3.455341  
1 1 1 15  11  14 o 93.981  1.7153 436.299  15.911  452.148  23.937  423.752  21.298  95.622  2.5362 92.585  2.3305 3.036995       3.444366  
1 1 1 15  11  15 o 47.272  1.4342 110.359  6.6919  111.737  9.3284  108.899  9.6053  47.552  1.9875 46.941  2.0731 0.6103210      2.871932  
1 1 1 15  11  16 o 123.519 2.0771 754.114  25.324  725.886  34.987  785.179  36.702  121.094 2.9272 125.940 2.9525 -4.845322      4.157617  
1 1 1 15  11  17 o 48.624  2.3527 116.932  11.291  121.836  16.082  112.163  15.857  49.471  3.3126 47.445  3.4089 2.026016       4.753295  
1 1 1 15  11  18 o 51.697  2.4246 132.240  12.372  137.829  17.753  126.962  17.251  52.599  3.4384 50.468  3.4845 2.131836       4.895380  
1 1 1 15  11  19 o 29.233  1.1173 42.200   3.2239  49.241   5.5390  38.593   3.9646  31.511  1.7882 27.912  1.4440 3.599091       2.298456  
1 1 1 15  11  20 o 85.122  2.1406 358.548  17.985  374.856  27.070  345.661  24.064  86.899  3.1560 83.482  2.9204 3.417671       4.299926  
1 1 1 15  11  21 o 60.697  6.2799 188.525  37.079  183.936  51.697  193.387  53.211  58.789  9.2117 60.297  9.2349 -1.508125      13.04372  
1 1 1 15  11  22 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  11  23 o 56.865  1.5819 159.914  8.8788  169.165  12.800  151.334  12.327  58.428  2.2194 55.259  2.2600 3.169044       3.167589  
1 1 1 15  11  24 o 30.057  1.0384 44.628   3.0807  47.579   3.8817  39.606   5.0639  31.027  1.2675 28.228  1.8273 2.799572       2.223881  
1 1 1 15  12  0  o 73.163  1.4795 264.499  10.684  250.190  15.117  278.778  15.102  71.108  2.1538 75.071  2.0381 -3.962875      2.965239  
1 1 1 15  12  1  o 141.926 1.9688 996.027  27.580  1007.28  38.956  984.724  39.051  142.589 2.7680 140.976 2.8064 1.612885       3.941781  
1 1 1 15  12  2  f 83.022  2.2110 340.908  18.119  343.731  18.815  304.879  67.215  83.359  2.2868 76.740  9.0477 6.618584       9.332255  
1 1 1 15  12  3  o 145.913 2.2389 1052.84  32.244  1104.06  44.325  995.281  46.992  149.300 3.0079 141.691 3.3601 7.608795       4.509728  
1 1 1 15  12  4  o 125.278 1.9559 775.639  24.185  784.456  34.254  766.873  34.153  125.902 2.7564 124.480 2.7797 1.421951       3.914626  
1 1 1 15  12  5  o 63.222  1.4462 197.401  9.0245  192.499  12.722  202.365  12.803  62.410  2.0652 63.991  2.0271 -1.581032      2.893854  
1 1 1 15  12  6  o 60.524  1.8441 180.979  11.016  190.188  15.767  172.195  15.399  62.013  2.5759 59.003  2.6441 3.009651       3.691416  
1 1 1 15  12  7  o 38.216  2.4781 72.513   9.2971  80.220   13.335  65.223   12.969  40.104  3.4008 36.092  3.6925 4.011299       5.019954  
1 1 1 15  12  8  o 202.704 3.1081 2033.70  62.186  1996.67  88.293  2070.16  87.599  200.543 4.4605 204.231 4.3456 -3.688477      6.227358  
1 1 1 15  12  9  o 178.838 2.6890 1581.83  47.467  1606.53  64.867  1553.35  69.643  180.067 3.6497 176.994 3.9864 3.073105       5.404835  
1 1 1 15  12  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  12  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  12  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  12  13 o 50.479  2.5159 126.006  12.535  110.190  17.412  143.024  18.061  46.995  3.7858 53.625  3.4302 -6.630272      5.108678  
1 1 1 15  12  14 o 99.028  1.8511 484.522  18.094  507.943  24.941  458.502  26.289  101.346 2.4933 96.265  2.7668 5.081490       3.724464  
1 1 1 15  12  15 o 122.322 2.0960 739.575  25.306  754.943  35.833  724.283  35.743  123.494 2.9397 120.953 2.9939 2.540512       4.195897  
1 1 1 15  12  16 o 43.293  2.9621 93.236   12.581  110.806  22.625  85.371   15.138  46.910  4.9617 41.313  3.7531 5.596748       6.221331  
1 1 1 15  12  17 o 79.432  1.9906 311.902  15.607  294.216  23.321  326.246  21.003  77.060  3.0661 81.189  2.6209 -4.129181      4.033625  
1 1 1 15  12  18 o 118.736 2.1095 697.234  24.722  699.595  35.264  694.952  34.670  118.809 3.0071 118.421 2.9661 0.3881226      4.223782  
1 1 1 15  12  19 o 54.634  2.3348 147.738  12.591  152.626  19.364  144.157  16.572  55.311  3.5659 53.815  3.1334 1.495556       4.747020  
1 1 1 15  12  20 o 97.997  1.8046 474.899  17.455  488.287  24.699  461.541  24.672  99.273  2.5206 96.506  2.5901 2.767700       3.614177  
1 1 1 15  12  21 o 19.114  6.5956 17.062   15.108  22.238   20.468  10.865   22.395  21.874  7.6695 19.423  7.7507 2.450226       10.90384  
1 1 1 15  12  22 o 99.984  2.4231 495.682  23.913  547.030  45.800  476.439  28.038  104.460 4.4421 97.925  2.9008 6.534843       5.305337  
1 1 1 15  12  23 o 14.472  2.1492 10.601   2.9767  10.750   3.0075  3.4418   20.847  14.574  2.1558 17.216  7.2358 -2.642003      7.550148  
1 1 1 15  12  24 o ?       ?      -6.8773  1.1406  -3.5758  10.971  -6.9133  1.1468  11.197  4.9709 ?       ?      0.000000       4.970889  
1 1 1 15  12  25 o 32.908  7.4163 58.567   23.512  63.128   32.056  53.257   34.592  33.666  9.3261 31.177  9.9575 2.488941       13.64288  
1 1 1 15  13  0  o 46.215  1.4484 105.542  6.6069  89.747   11.715  112.909  8.0007  42.448  2.8119 47.789  1.6962 -5.340477      3.283875  
1 1 1 15  13  1  o 83.619  1.6109 345.592  13.295  346.332  19.176  344.907  18.449  83.641  2.3228 83.478  2.2391 0.1630173      3.226305  
1 1 1 15  13  2  o 35.633  2.1206 63.033   7.4246  67.683   11.776  59.964   9.5656  36.786  3.2775 34.672  2.8196 2.114254       4.323428  
1 1 1 15  13  3  o 114.709 1.7441 650.310  19.747  654.816  27.927  645.804  27.926  115.025 2.4598 114.228 2.4769 0.7964783      3.490767  
1 1 1 15  13  4  o 62.685  1.3992 194.084  8.6572  209.690  12.061  177.496  12.434  65.135  1.8760 59.915  2.1025 5.219795       2.817806  
1 1 1 15  13  5  o 119.684 1.9506 707.985  23.043  716.216  32.747  699.911  32.431  120.288 2.7581 118.911 2.7632 1.377792       3.904145  
1 1 1 15  13  6  o 111.459 1.8869 613.899  20.759  627.463  29.523  600.635  29.194  112.612 2.6561 110.175 2.6846 2.436745       3.776478  
1 1 1 15  13  7  o 106.187 1.8790 557.158  19.694  561.234  27.696  552.989  28.008  106.512 2.6344 105.722 2.6840 0.7900238      3.760892  
1 1 1 15  13  8  o 182.593 2.8122 1649.77  50.683  1613.82  71.117  1686.86  72.249  180.350 3.9951 184.392 3.9697 -4.042038      5.631973  
1 1 1 15  13  9  o 30.753  3.2009 47.334   9.5737  49.153   13.079  45.235   14.051  31.163  4.3726 29.766  4.9570 1.397100       6.609937  
1 1 1 15  13  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  13  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  13  12 o 187.552 2.9179 1740.98  54.016  1736.05  75.760  1746.07  77.038  187.025 4.1040 187.548 4.1616 -0.5237122     5.844763  
1 1 1 15  13  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  13  14 o 116.580 2.4029 672.143  27.649  671.228  49.900  672.548  33.214  116.224 4.3498 116.561 2.8869 -0.3370514     5.220683  
1 1 1 15  13  15 o 65.050  2.2008 209.225  14.131  218.865  21.913  202.363  18.488  66.367  3.3560 63.929  2.9300 2.437725       4.455110  
1 1 1 15  13  16 o 122.492 2.1946 741.966  26.533  756.777  37.233  726.683  37.821  123.593 3.0521 121.093 3.1644 2.499779       4.396428  
1 1 1 15  13  17 o 93.086  1.9987 428.415  18.364  442.332  26.312  415.197  25.643  94.500  2.8208 91.554  2.8377 2.946480       4.001216  
1 1 1 15  13  18 o 69.792  2.1328 240.947  14.692  223.637  21.927  255.048  19.792  67.129  3.3093 71.746  2.7948 -4.616699      4.331599  
1 1 1 15  13  19 o 52.372  1.4687 135.531  7.5923  142.742  10.809  128.508  10.667  53.716  2.0387 50.962  2.1205 2.753445       2.941592  
1 1 1 15  13  20 o 58.362  6.3792 174.508  36.149  168.102  50.570  181.202  51.695  56.076  9.4740 58.348  9.2873 -2.271675      13.26690  
1 1 1 15  13  21 o 26.701  7.1616 37.813   19.264  43.976   27.813  32.130   26.707  28.870  8.8880 25.590  8.7726 3.279430       12.48817  
1 1 1 15  13  22 o 96.268  1.8665 458.709  17.735  461.769  26.145  456.102  24.138  96.424  2.7471 95.872  2.5508 0.5517883      3.748745  
1 1 1 15  13  23 o 27.144  4.6080 38.024   11.905  33.849   19.776  40.397   14.908  25.296  7.4307 27.747  5.6358 -2.451717      9.326147  
1 1 1 15  13  24 o 28.278  4.3882 41.097   11.851  41.824   17.576  40.491   16.048  28.013  6.4849 27.650  6.0483 0.3623867      8.867658  
1 1 1 15  13  25 o 36.926  7.3426 73.442   25.819  76.618   37.033  70.438   36.017  36.761  9.9591 35.296  9.9239 1.464634       14.05943  
1 1 1 15  14  0  o 63.337  1.4469 198.251  9.0453  206.302  14.061  192.567  11.815  64.551  2.2068 62.389  1.9186 2.161346       2.924194  
1 1 1 15  14  1  o 111.000 1.8748 609.440  20.540  599.716  28.732  619.604  29.375  109.988 2.6466 111.794 2.6621 -1.805954      3.753809  
1 1 1 15  14  2  o 93.943  1.6661 436.276  15.449  436.858  21.893  435.699  21.803  93.926  2.3615 93.802  2.3549 0.1238251      3.335061  
1 1 1 15  14  3  o 27.095  1.2945 36.266   3.4620  37.014   3.7608  32.112   8.8628  27.335  1.3986 25.155  3.6783 2.180922       3.935197  
1 1 1 15  14  4  o 58.293  1.6634 167.938  9.5709  167.404  13.273  168.516  13.814  58.163  2.3120 58.350  2.3985 -0.1868973     3.331402  
1 1 1 15  14  5  o 139.919 1.9634 967.897  27.115  937.343  38.512  997.933  38.184  137.559 2.8364 141.956 2.7252 -4.396576      3.933421  
1 1 1 15  14  6  o 43.543  1.5834 93.674   6.8052  102.210  13.215  90.594   7.9386  45.327  2.9703 42.812  1.8786 2.514378       3.514564  
1 1 1 15  14  7  o 90.552  1.7905 405.198  16.003  408.981  22.228  401.126  23.058  90.920  2.4769 90.032  2.5948 0.8881302      3.587144  
1 1 1 15  14  8  o 127.177 2.0401 799.503  25.609  780.480  36.005  818.981  36.433  125.551 2.9055 128.616 2.8699 -3.064522      4.083855  
1 1 1 15  14  9  o 106.245 2.6592 558.564  27.887  515.103  39.440  602.016  39.436  101.869 3.9225 110.174 3.6264 -8.305428      5.341988  
1 1 1 15  14  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  14  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  14  12 o 179.969 2.8361 1603.32  50.379  1675.31  72.193  1534.98  70.336  183.695 3.9817 175.815 4.0531 7.880554       5.681665  
1 1 1 15  14  13 o 56.716  2.3198 159.081  12.986  192.668  20.819  137.689  16.615  62.250  3.4012 52.617  3.2145 9.633045       4.679879  
1 1 1 15  14  14 o 178.351 5.4209 1588.55  95.429  1588.55  95.429  0.0000   0.0000  178.351 5.4209 ?       ?      0.000000       5.420918  
1 1 1 15  14  15 o 70.839  2.0319 248.093  14.207  257.497  20.734  239.769  19.506  72.101  2.9135 69.581  2.8402 2.519951       4.068794  
1 1 1 15  14  16 o 75.066  1.9911 278.602  14.752  294.458  22.488  266.623  19.546  77.087  2.9555 73.378  2.6987 3.709328       4.002277  
1 1 1 15  14  17 o 22.109  4.6174 25.277   9.7511  26.111   14.661  24.614   13.058  22.467  6.3368 21.782  5.9191 0.6844654      8.671233  
1 1 1 15  14  18 o 41.188  1.3134 83.803   5.3393  84.500   7.6433  83.139   7.4618  41.338  1.8733 41.005  1.8436 0.3329163      2.628336  
1 1 1 15  14  19 o 22.460  5.6529 26.374   12.522  22.029   19.599  29.370   16.278  21.690  7.5106 23.725  6.6719 -2.035410      10.04606  
1 1 1 15  14  20 o 84.051  6.2644 360.350  51.597  351.810  72.715  369.011  73.227  81.555  9.1936 83.651  9.0111 -2.096115      12.87331  
1 1 1 15  14  21 o 104.250 6.3806 555.961  65.340  589.591  92.454  522.404  92.355  105.608 8.9537 98.902  9.5808 6.706551       13.11336  
1 1 1 15  14  22 o 81.603  2.2618 330.139  18.218  326.038  27.510  333.342  24.313  80.853  3.4471 81.855  3.0093 -1.002739      4.575866  
1 1 1 15  14  23 o 53.011  1.5722 139.012  8.2265  149.352  11.394  127.751  11.890  54.897  2.1027 50.743  2.3741 4.153988       3.171369  
1 1 1 15  14  24 o 70.749  1.8695 247.920  13.055  240.356  22.230  251.902  16.130  69.410  3.2448 71.250  2.2936 -1.839973      3.973575  
1 1 1 15  15  0  o 15.666  4.2694 12.671   6.7819  11.460   11.614  13.297   8.3543  16.172  5.7667 16.184  4.8485 -0.1171303E-01 7.534094  
1 1 1 15  15  1  o 142.322 1.9912 1002.40  27.972  1038.60  40.473  969.286  38.702  144.666 2.8344 139.763 2.8055 4.903091       3.988074  
1 1 1 15  15  2  o 62.925  2.0341 195.960  12.634  210.349  24.260  190.606  14.799  64.861  3.8061 62.024  2.4174 2.836552       4.508893  
1 1 1 15  15  3  o 27.654  2.6487 38.256   7.1414  42.344   11.931  35.973   8.9148  28.810  4.3294 26.676  3.4677 2.133347       5.546997  
1 1 1 15  15  4  o 79.360  1.9569 311.540  15.329  332.547  26.807  301.335  18.685  81.815  3.3195 78.001  2.4269 3.813927       4.112062  
1 1 1 15  15  5  o 34.798  1.5471 59.842   5.3138  65.780   16.208  59.126   5.6246  36.001  4.6713 34.587  1.6476 1.413757       4.953341  
1 1 1 15  15  6  o 53.308  2.3212 140.632  12.213  146.375  22.652  138.278  14.502  54.042  4.2816 52.754  2.7950 1.287949       5.113148  
1 1 1 15  15  7  o 79.976  1.7389 316.126  13.726  308.047  18.266  326.607  20.806  78.901  2.3454 81.219  2.5953 -2.318001      3.498113  
1 1 1 15  15  8  o 91.594  1.9319 414.747  17.466  418.665  25.316  411.188  24.127  91.941  2.7897 91.128  2.6824 0.8124542      3.870081  
1 1 1 15  15  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  15  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  15  11 o 140.777 2.2898 980.279  31.817  1043.61  46.288  923.554  43.808  145.091 3.2322 136.486 3.2518 8.604080       4.584916  
1 1 1 15  15  12 o 148.449 2.4605 1090.45  36.053  1062.66  50.893  1118.44  51.081  146.343 3.5233 150.153 3.4466 -3.809296      4.928774  
1 1 1 15  15  13 o 32.808  1.6923 53.328   5.4613  70.612   15.451  50.861   5.8381  37.439  4.2569 32.025  1.8549 5.414497       4.643448  
1 1 1 15  15  14 o 100.555 1.8722 499.825  18.582  523.647  28.873  482.982  24.279  102.814 2.8452 98.784  2.4900 4.029411       3.780899  
1 1 1 15  15  15 o 150.440 3.4696 1123.55  51.520  1123.55  51.520  0.0000   0.0000  150.440 3.4696 ?       ?      0.000000       3.469607  
1 1 1 15  15  16 o 49.691  1.5524 122.013  7.6141  105.421  10.919  137.714  10.623  46.085  2.4089 52.767  2.0395 -6.681862      3.156341  
1 1 1 15  15  17 o 64.538  2.2408 206.152  14.275  205.324  21.654  206.788  18.983  64.195  3.4299 64.567  2.9787 -0.3714447     4.542756  
1 1 1 15  15  18 o 47.455  2.5841 111.935  12.058  107.467  18.306  115.360  16.027  46.254  4.0505 48.055  3.4009 -1.800964      5.288903  
1 1 1 15  15  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  15  20 o 56.772  6.4289 166.149  35.390  187.231  50.003  144.991  50.095  59.268  8.8161 51.373  10.239 7.895393       13.51124  
1 1 1 15  15  21 f 58.883  1.9408 171.678  11.280  181.168  21.809  168.211  13.180  60.120  3.6931 58.247  2.2924 1.872765       4.346714  
1 1 1 15  15  22 o 5.1854  2.1357 0.3887   1.7637  5.4295   2.6712  -3.5074  2.3484  10.261  2.6263 4.1144  1.9778 6.146763       3.287780  
1 1 1 15  15  23 f 78.117  2.4412 302.961  18.822  303.622  28.222  302.432  25.261  77.909  3.6700 77.860  3.2870 0.4962158E-01  4.926819  
1 1 1 15  15  24 o 108.516 2.7500 586.007  29.455  621.967  38.429  534.798  45.859  111.513 3.4914 102.946 4.5132 8.567337       5.706074  
1 1 1 15  16  1  o 84.924  1.7454 356.769  14.631  381.743  22.184  337.544  19.464  87.726  2.5620 82.518  2.3897 5.207527       3.503470  
1 1 1 15  16  2  o 33.066  2.9003 54.700   9.3700  63.744   15.718  49.715   11.670  35.380  4.6105 31.341  3.8538 4.039705       6.009057  
1 1 1 15  16  3  o 14.051  1.6773 9.9011   2.2803  9.4396   2.3492  17.423   9.4840  13.700  1.7792 18.341  5.0696 -4.640742      5.372758  
1 1 1 15  16  4  f 53.643  2.1700 142.479  11.490  150.656  19.659  138.237  14.160  54.880  3.6500 52.719  2.7306 2.160809       4.558372  
1 1 1 15  16  5  o 70.337  2.3058 245.016  16.008  153.122  52.663  254.371  16.803  53.064  10.427 71.659  2.3757 -18.59589      10.69389  
1 1 1 15  16  6  o 70.665  1.8109 246.943  12.631  254.669  18.451  240.130  17.327  71.683  2.6078 69.617  2.5216 2.066750       3.627501  
1 1 1 15  16  7  o 34.584  2.6966 59.632   9.1322  74.916   12.722  43.382   13.117  38.690  3.3647 29.100  4.7292 9.590008       5.804005  
1 1 1 15  16  8  o 107.655 2.2326 573.542  23.723  533.750  40.272  594.689  29.358  103.553 3.9401 109.550 2.7150 -5.996323      4.784929  
1 1 1 15  16  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  16  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  16  11 o 92.335  1.9848 421.614  18.089  425.458  25.122  417.476  26.068  92.670  2.7465 91.779  2.8776 0.8906021      3.977917  
1 1 1 15  16  12 o 62.891  1.6014 195.461  9.9411  217.719  23.445  190.582  10.977  66.102  3.6069 62.091  1.7910 4.010841       4.027149  
1 1 1 15  16  13 o 53.475  2.4541 141.572  12.953  159.949  21.419  130.974  16.265  56.581  3.8582 51.276  3.2302 5.305000       5.031882  
1 1 1 15  16  14 o 48.422  2.6031 116.472  12.396  114.850  20.844  117.360  15.419  47.780  4.4718 48.521  3.2380 -0.7411156     5.521032  
1 1 1 15  16  15 o 55.249  2.3326 151.110  12.720  147.099  19.316  154.181  16.903  54.273  3.6266 55.658  3.0889 -1.384735      4.763780  
1 1 1 15  16  16 o 59.840  3.2359 178.352  19.042  172.602  20.419  216.704  52.736  58.812  3.5339 64.384  8.5068 -5.571327      9.211583  
1 1 1 15  16  17 o 37.282  1.1896 68.660   4.3777  75.127   6.2733  62.521   6.1119  38.982  1.6304 35.557  1.7415 3.425003       2.385570  
1 1 1 15  16  18 o 38.137  3.1445 72.773   11.731  64.867   17.596  79.098   15.740  35.566  5.1634 39.594  4.0862 -4.027588      6.584700  
1 1 1 15  16  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  16  20 o 36.889  1.3354 67.261   4.8623  76.420   6.9487  58.475   6.8062  39.295  1.7916 34.302  2.0192 4.993675       2.699406  
1 1 1 15  16  21 o 22.467  1.2997 25.035   2.8699  26.127   4.1206  24.006   3.9993  22.899  1.8386 21.941  1.8644 0.9584141      2.618479  
1 1 1 15  16  22 o 56.618  2.6994 159.365  15.085  169.977  22.486  150.679  20.343  58.105  3.9440 54.735  3.7887 3.370052       5.468932  
1 1 1 15  16  23 o 33.988  4.9995 59.686   16.271  49.996   29.757  63.819   19.433  30.198  9.1739 34.899  5.8484 -4.700682      10.87952  
1 1 1 15  16  24 o 47.985  1.9647 114.158  9.3055  112.996  10.599  118.065  19.434  47.706  2.2510 48.259  4.1194 -0.5535164     4.694350  
1 1 1 15  17  2  o 31.835  2.9243 50.788   9.0861  48.227   15.341  52.172   11.277  30.498  5.2878 32.142  3.6174 -1.644459      6.406760  
1 1 1 15  17  3  o 89.437  1.9189 395.907  16.940  400.101  25.090  392.393  22.964  89.756  2.8320 88.929  2.6162 0.8278809      3.855524  
1 1 1 15  17  4  o 25.350  3.3398 32.523   8.1534  31.974   12.688  32.909   10.641  24.728  5.3535 25.282  4.4257 -0.5538311     6.946035  
1 1 1 15  17  5  o 91.552  1.7950 414.657  16.221  426.796  23.884  404.266  22.098  92.758  2.6087 90.298  2.4794 2.459267       3.599005  
1 1 1 15  17  6  o 120.872 2.5952 724.576  30.962  721.787  144.338 724.710  31.700  113.544 13.121 120.869 2.6571 -7.325233      13.38702  
1 1 1 15  17  7  o 76.143  1.6636 286.687  12.503  288.958  16.824  283.885  18.687  76.385  2.2315 75.678  2.5017 0.7072296      3.352319  
1 1 1 15  17  8  o 13.530  5.3387 5.2766   10.516  3.7765   13.654  7.4632   16.486  14.496  5.9531 16.632  6.6456 -2.135935      8.922066  
1 1 1 15  17  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  17  10 o 68.443  2.2053 231.890  14.898  246.529  22.573  220.593  19.830  70.446  3.2464 66.667  3.0136 3.778328       4.429527  
1 1 1 15  17  11 o 92.663  1.5174 424.360  13.879  436.310  18.334  408.323  21.240  93.912  1.9779 90.803  2.3698 3.109474       3.086770  
1 1 1 15  17  12 o 22.370  4.6018 25.912   9.8218  29.726   15.802  23.511   12.538  23.847  6.5245 21.264  5.8090 2.582916       8.735808  
1 1 1 15  17  13 o 81.009  1.9543 324.639  15.626  311.267  27.371  331.105  19.033  79.114  3.5051 81.767  2.3583 -2.652824      4.224582  
1 1 1 15  17  14 o 18.747  4.4217 18.258   8.0493  17.632   11.817  18.801   10.995  18.716  5.7986 19.118  5.5190 -0.4022026     8.005195  
1 1 1 15  17  15 o 53.602  1.4720 142.001  7.7876  148.051  11.152  136.242  10.880  54.693  2.0657 52.464  2.1010 2.229111       2.946466  
1 1 1 15  17  16 o 38.192  3.0424 72.910   11.374  76.364   17.138  70.192   15.205  38.795  4.5627 37.251  4.2092 1.544312       6.207692  
1 1 1 15  17  17 o 74.001  2.1830 271.243  15.945  275.758  23.553  267.423  21.664  74.458  3.2048 73.361  2.9919 1.097092       4.384275  
1 1 1 15  17  18 o 68.695  6.2879 242.315  42.162  227.228  59.536  257.493  59.715  64.895  9.5830 69.531  8.9057 -4.636436      13.08231  
1 1 1 15  17  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  17  20 o 69.301  1.8714 237.824  12.801  230.620  18.281  244.756  17.931  68.116  2.7191 70.196  2.5880 -2.079987      3.753787  
1 1 1 15  17  21 o 39.166  3.4567 77.207   13.226  63.839   19.618  88.345   17.907  34.914  5.9032 41.672  4.4210 -6.758198      7.375158  
1 1 1 15  17  22 o 27.808  4.9699 40.275   13.141  38.995   17.914  41.766   19.335  26.940  6.7505 27.828  7.0354 -0.8881302     9.750137  
1 1 1 15  17  23 o 7.5920  2.2695 2.8914   1.8319  9.4502   2.7918  -2.0677  2.4276  13.639  2.1446 4.7324  2.1916 8.906288       3.066383  
1 1 1 15  17  24 o 34.504  1.3703 58.898   4.6669  60.788   6.7003  57.117   6.5039  34.955  1.9498 33.880  1.9532 1.075489       2.759825  
1 1 1 15  18  3  o 48.775  2.1497 117.905  10.349  121.790  15.913  115.057  13.624  49.328  3.2871 48.017  2.8880 1.310925       4.375612  
1 1 1 15  18  4  o 78.730  1.8966 306.844  14.738  323.069  22.148  293.948  19.744  80.642  2.7825 76.954  2.5994 3.687950       3.807832  
1 1 1 15  18  5  o 118.060 1.9617 690.064  22.860  676.301  32.980  702.791  31.714  116.668 2.8639 118.975 2.7006 -2.307281      3.936413  
1 1 1 15  18  6  o 88.835  1.8301 390.533  16.047  395.366  23.518  386.323  21.951  89.247  2.6698 88.248  2.5201 0.9988937      3.671350  
1 1 1 15  18  7  o 98.411  3.2993 482.155  32.048  465.055  83.699  485.092  34.691  93.587  9.1791 98.638  3.5632 -5.051643      9.846401  
1 1 1 15  18  8  o 14.108  5.3501 7.2875   10.253  4.0800   15.994  9.5256   13.360  15.532  6.4176 16.060  6.1031 -0.5283413     8.856283  
1 1 1 15  18  9  o 42.322  5.0797 91.366   20.796  85.571   25.127  103.968  37.051  40.525  6.5015 43.907  8.8550 -3.381592      10.98551  
1 1 1 15  18  10 o 84.149  1.9588 350.478  16.270  355.737  23.937  345.962  22.181  84.638  2.8653 83.497  2.6914 1.140541       3.931086  
1 1 1 15  18  11 o 82.775  1.7407 338.913  14.221  333.614  23.792  341.859  17.740  81.953  2.9412 83.083  2.1632 -1.129539      3.651032  
1 1 1 15  18  12 o 49.215  1.5940 119.764  7.7430  109.876  19.378  121.643  8.4466  46.685  4.2519 49.592  1.7256 -2.906860      4.588706  
1 1 1 15  18  13 o 57.746  2.5807 165.397  14.709  177.916  23.081  156.835  19.087  59.566  3.9481 56.014  3.4694 3.551926       5.255920  
1 1 1 15  18  14 o 61.089  1.8007 184.636  10.857  185.867  12.963  181.744  19.874  61.260  2.1438 60.333  3.3505 0.9277573      3.977704  
1 1 1 15  18  15 o 80.971  1.8105 324.414  14.470  327.025  19.061  320.864  22.228  81.219  2.3777 80.380  2.8017 0.8391800      3.674621  
1 1 1 15  18  16 f 59.799  2.3952 177.328  14.137  183.214  20.905  172.367  19.191  60.517  3.5149 58.735  3.3239 1.782158       4.837654  
1 1 1 15  18  17 o 32.483  4.5379 53.988   14.152  43.433   21.042  62.705   19.123  28.456  7.4164 34.708  5.7857 -6.252401      9.406254  
1 1 1 15  18  18 o 62.057  7.3379 202.021  44.076  177.804  74.785  214.910  54.559  54.288  13.897 63.126  9.0122 -8.837742      16.56375  
1 1 1 15  18  19 o 26.063  4.5426 35.149   11.261  31.747   16.751  37.954   15.211  24.419  6.7327 26.774  5.9138 -2.355217      8.961205  
1 1 1 15  18  20 o 70.218  2.4754 244.917  17.156  230.824  25.411  256.721  23.257  67.765  3.8147 71.714  3.2856 -3.948860      5.034568  
1 1 1 15  18  21 o 22.530  5.2479 26.804   11.453  20.802   16.911  31.889   15.567  20.554  6.9810 24.424  6.3854 -3.869520      9.460860  
1 1 1 15  18  22 o 9.4847  1.4318 4.5499   1.2986  0.9710   1.9614  7.3435   1.7329  5.8700  2.3090 12.093  1.4829 -6.222586      2.744192  
1 1 1 15  18  23 o 5.6502  1.8903 1.4863   1.2398  2.3417   1.9173  0.8716   1.6253  7.0608  2.3506 5.4041  2.1089 1.656706       3.157915  
1 1 1 15  19  5  o 31.587  1.6126 49.490   5.0110  49.968   15.160  49.431   5.3095  31.055  5.1245 31.558  1.7109 -0.5029774     5.402555  
1 1 1 15  19  6  o 21.239  4.6650 23.557   9.5120  22.265   14.584  24.513   12.548  20.823  6.4404 21.585  5.7760 -0.7622356     8.651093  
1 1 1 15  19  7  o 63.291  6.2216 206.254  38.365  202.715  54.473  209.738  54.042  61.239  9.3047 62.461  9.0276 -1.222042      12.96435  
1 1 1 15  19  8  o 28.309  6.7865 42.721   18.717  45.483   27.053  40.185   25.922  29.117  8.7254 27.575  8.5957 1.541855       12.24817  
1 1 1 15  19  9  o 82.226  1.5091 334.349  12.248  344.569  14.830  312.427  21.721  83.438  1.8008 79.294  2.7752 4.143250       3.308249  
1 1 1 15  19  10 o 29.976  1.6236 44.579   4.7858  44.260   5.0896  47.008   14.063  29.857  1.7345 30.186  4.8873 -0.3281479     5.185934  
1 1 1 15  19  11 o 128.130 2.1345 813.480  26.994  833.210  39.092  795.497  37.321  129.401 3.0607 126.462 2.9899 2.938713       4.278730  
1 1 1 15  19  12 o 99.208  2.1741 487.760  21.289  496.314  31.600  480.652  28.807  99.829  3.2070 98.305  2.9688 1.524315       4.370228  
1 1 1 15  19  13 o 80.070  2.4751 318.142  19.561  355.201  36.092  302.729  23.276  84.015  4.3674 78.002  3.0232 6.013176       5.311644  
1 1 1 15  19  14 o 44.841  1.1732 99.359   5.1927  96.538   6.5334  104.198  8.5563  44.183  1.4981 45.875  1.8896 -1.691788      2.411467  
1 1 1 15  19  15 o 21.418  1.5679 22.813   3.2917  23.707   3.4002  9.4743   13.131  21.834  1.5887 15.920  6.0504 5.913951       6.255449  
1 1 1 15  19  16 o 62.514  2.2140 193.785  13.661  207.127  21.809  185.169  17.525  64.324  3.4476 61.003  2.9106 3.320988       4.511930  
1 1 1 15  19  17 o 54.180  6.4906 152.903  34.019  164.381  48.533  141.817  47.698  54.784  9.3083 50.469  9.9288 4.315552       13.60972  
1 1 1 15  19  18 o 38.832  7.1329 80.515   26.332  0.0000   0.0000  80.515   26.332  ?       ?      38.832  7.1329 0.000000       7.132870  
1 1 1 15  19  19 f 22.373  5.4190 26.486   11.840  26.619   19.082  26.402   15.098  22.755  7.4078 22.344  6.4723 0.4103603      9.836965  
1 1 1 15  19  20 o 62.016  2.8777 191.625  17.615  218.589  30.538  178.182  21.563  65.542  4.7529 59.511  3.6892 6.031021       6.016641  
1 1 1 15  19  21 o 45.864  1.5949 104.135  7.2200  104.966  10.345  103.346  10.081  45.972  2.2798 45.621  2.2389 0.3511086      3.195298  
1 1 1 15  19  22 o 33.792  1.4697 56.516   4.9019  51.529   6.9980  61.319   6.8684  32.133  2.2200 35.101  1.9906 -2.968498      2.981805  
1 1 1 15  19  23 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  20  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  20  8  o 76.878  2.1448 293.023  16.275  288.459  24.701  296.525  21.636  76.041  3.2910 77.203  2.8392 -1.161766      4.346502  
1 1 1 15  20  9  o 24.986  6.8738 33.283   17.484  22.751   25.815  42.207   23.763  22.891  8.5296 27.985  8.1240 -5.094360      11.77933  
1 1 1 15  20  10 o 83.184  2.1611 343.060  17.744  362.043  26.371  327.356  23.986  85.239  3.1344 81.086  2.9969 4.152817       4.336552  
1 1 1 15  20  11 o 51.541  1.2260 131.296  6.2372  136.141  8.9198  126.660  8.7248  52.445  1.7231 50.584  1.7475 1.861290       2.454143  
1 1 1 15  20  12 o 74.539  1.8005 275.097  13.247  235.727  24.648  291.089  15.709  68.559  3.6555 76.634  2.0768 -8.074738      4.204246  
1 1 1 15  20  13 o 104.735 2.0276 543.630  20.961  546.823  28.939  540.107  30.401  104.844 2.7964 104.150 2.9573 0.6947327      4.070117  
1 1 1 15  20  14 o 23.416  4.8111 28.669   10.748  30.115   16.449  27.591   14.198  23.802  6.7115 22.809  6.1611 0.9937210      9.110606  
1 1 1 15  20  15 o 68.222  2.5389 231.271  17.096  233.915  25.443  229.095  23.084  68.224  3.7933 67.615  3.4705 0.6090546      5.141374  
1 1 1 15  20  16 o 90.770  6.3199 426.176  56.269  425.791  79.662  426.559  79.491  88.476  9.2592 88.584  9.2268 -0.1076660     13.07156  
1 1 1 15  20  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  20  18 o 48.065  1.4467 114.293  6.8633  116.559  9.8147  112.123  9.6013  48.479  2.0511 47.548  2.0458 0.9308090      2.896947  
1 1 1 15  20  19 o 76.760  3.1172 294.239  23.617  368.835  73.104  285.546  24.956  81.967  9.1943 75.550  3.3466 6.417122       9.784378  
1 1 1 15  20  20 o 38.223  1.2906 72.256   4.8689  76.687   7.0012  68.106   6.7757  39.337  1.8032 37.067  1.8520 2.270302       2.584825  
1 1 1 15  20  21 o 58.431  2.8527 170.391  16.453  193.512  25.056  152.866  21.814  61.764  4.1339 54.895  4.0547 6.869480       5.790531  
1 1 1 15  20  22 o 86.546  6.5188 395.113  55.278  387.679  78.460  402.440  77.892  82.493  9.8296 84.404  9.5157 -1.910896      13.68096  
1 1 1 15  21  9  o 59.688  2.6073 177.202  15.361  182.236  23.443  173.414  20.335  60.098  3.9744 58.758  3.5225 1.339977       5.310707  
1 1 1 15  21  10 o 82.344  14.252 415.618  111.641 0.0000   0.0000  415.618  111.641 ?       ?      82.344  14.252 0.000000       14.25189  
1 1 1 15  21  11 o 90.037  2.1654 402.188  19.244  412.179  27.897  393.118  26.580  90.896  3.1094 88.793  3.0328 2.103333       4.343527  
1 1 1 15  21  12 o 81.778  2.3010 332.020  18.573  339.614  28.013  326.064  24.810  82.406  3.4441 80.844  3.1092 1.561958       4.639939  
1 1 1 15  21  13 o 48.562  2.9536 117.960  14.090  118.619  21.842  117.490  18.440  48.230  4.6456 48.224  3.9076 0.6111145E-02  6.070457  
1 1 1 15  21  14 o 22.799  5.2734 27.482   11.631  34.923   17.859  22.001   15.326  25.469  6.9227 20.711  6.6294 4.757721       9.585045  
1 1 1 15  21  15 o 28.805  8.0397 45.482   23.729  40.370   42.111  47.860   28.724  28.868  10.867 29.488  9.0248 -0.6197472     14.12567  
1 1 1 15  21  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 15  21  17 o 71.673  2.6431 255.761  18.698  266.106  27.845  247.264  25.234  72.638  3.8979 70.102  3.6596 2.536385       5.346618  
1 1 1 15  21  18 o 42.882  1.5991 91.056   6.7683  93.415   9.8154  88.917   9.3455  43.295  2.3052 42.247  2.2493 1.048363       3.220707  
1 1 1 15  21  19 o 59.141  2.7536 174.430  16.074  169.279  24.876  178.122  21.061  57.641  4.4056 59.439  3.6069 -1.798340      5.693815  
1 1 1 15  21  20 o 57.458  2.2422 164.143  12.716  215.160  55.652  161.332  13.062  61.655  9.4457 56.948  2.3237 4.706917       9.727365  
1 1 1 15  22  11 o 70.436  6.5164 260.552  44.790  253.285  63.660  267.677  63.031  66.910  9.9414 69.195  9.4779 -2.285599      13.73542  
1 1 1 15  22  12 o 58.884  1.3287 171.518  7.7226  184.671  13.300  164.828  9.4855  60.974  2.2099 57.685  1.6659 3.288612       2.767495  
1 1 1 15  22  13 f 36.655  1.5049 66.507   5.4446  49.795   21.457  67.657   5.6289  30.157  7.2893 36.967  1.5427 -6.810423      7.450711  
1 1 1 15  22  14 o 63.301  14.431 258.701  88.164  258.701  88.164  0.0000   0.0000  63.301  14.431 ?       ?      0.000000       14.43115  
1 1 1 15  22  15 o 42.452  7.0768 97.035   28.609  91.648   41.989  101.703  39.084  39.437  10.571 42.120  9.6130 -2.682858      14.28865  
1 1 1 15  22  16 o 24.534  6.0698 32.418   14.618  24.380   22.016  38.755   19.549  22.304  7.9412 26.594  7.2490 -4.289486      10.75219  
1 1 1 15  22  17 f 60.426  2.9859 182.558  17.809  189.296  27.165  177.479  23.584  60.858  4.5553 59.126  4.0659 1.732300       6.105915  
1 1 1 15  22  18 o 21.454  1.1579 22.828   2.4428  26.887   4.3633  20.975   2.9481  23.197  1.9230 20.530  1.4645 2.666737       2.417166  
1 1 1 16  -12 0  o 37.288  0.9070 68.691   3.3381  65.774   4.7298  71.585   4.7117  36.467  1.3140 38.048  1.2546 -1.580605      1.816799  
1 1 1 16  -12 1  o 66.899  1.2926 221.327  8.5350  224.233  12.188  218.531  11.955  67.266  1.8358 66.407  1.8240 0.8591003      2.587844  
1 1 1 16  -12 2  o 2.6477  1.3374 -5.6342  1.6768  -5.8143  1.6939  3.1223   11.811  2.6386  1.3342 13.347  5.5150 -10.70819      5.674047  
1 1 1 16  -12 3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  -12 4  o 66.901  1.3908 221.419  9.1840  224.422  14.316  219.319  11.972  67.239  2.1571 66.525  1.8233 0.7139282      2.824420  
1 1 1 16  -11 0  o 54.790  2.2049 148.935  11.924  143.471  16.787  154.500  16.940  53.529  3.1918 55.577  3.1005 -2.048302      4.449768  
1 1 1 16  -11 1  o 44.188  2.9132 97.651   12.635  110.875  23.994  92.578   14.862  46.419  5.3339 42.883  3.5430 3.535759       6.403387  
1 1 1 16  -11 2  o 77.821  1.5087 299.603  11.589  299.531  17.941  299.654  15.181  77.680  2.3399 77.760  1.9779 -0.8026123E-01 3.063893  
1 1 1 16  -11 3  o 44.833  1.3414 99.386   5.9361  104.870  8.7280  94.667   8.0973  46.007  1.9220 43.716  1.8766 2.291256       2.686208  
1 1 1 16  -11 4  o 29.502  1.6794 43.223   4.8701  43.131   4.8996  50.764   44.476  29.470  1.6915 31.281  11.271 -1.811289      11.39729  
1 1 1 16  -11 5  o 61.360  1.7056 186.398  10.330  166.173  17.831  196.613  12.673  57.636  3.1462 62.977  2.0387 -5.340611      3.749034  
1 1 1 16  -11 6  o 23.119  1.0924 26.413   2.4929  21.698   3.3713  32.102   3.7029  20.872  1.6499 25.430  1.4816 -4.558241      2.217502  
1 1 1 16  -11 7  o 33.080  3.1383 55.086   10.124  56.225   14.200  53.910   14.438  33.101  4.4598 32.346  4.6565 0.7554131      6.447726  
1 1 1 16  -10 0  o 46.799  1.1880 108.236  5.4878  100.515  6.7508  123.277  9.4227  45.079  1.5172 49.890  1.9135 -4.810715      2.442018  
1 1 1 16  -10 1  f 123.123 2.0366 751.141  24.750  765.002  34.580  736.581  35.440  124.024 2.8248 121.656 2.9514 2.368477       4.085372  
1 1 1 16  -10 2  o 56.981  2.0370 160.874  11.456  160.542  16.388  161.191  16.022  56.727  2.9370 56.857  2.8641 -0.1298409     4.102334  
1 1 1 16  -10 3  o 35.122  1.2313 60.966   4.2685  64.475   6.0303  57.444   6.0427  36.095  1.6926 34.016  1.8062 2.078884       2.475344  
1 1 1 16  -10 4  o 75.319  1.9822 281.017  14.736  272.527  20.510  290.078  21.187  74.034  2.8067 76.380  2.8103 -2.345963      3.971788  
1 1 1 16  -10 5  o 111.122 2.8219 614.029  30.951  614.029  30.951  0.0000   0.0000  111.122 2.8219 ?       ?      0.000000       2.821881  
1 1 1 16  -10 6  o 22.197  4.4243 25.610   9.3532  12.209   12.628  41.896   13.921  16.687  6.0065 28.365  5.1626 -11.67735      7.920273  
1 1 1 16  -10 7  o 19.842  1.1767 19.525   2.2942  18.310   3.0646  21.074   3.4603  19.167  1.6355 20.563  1.7207 -1.395720      2.373960  
1 1 1 16  -10 8  o 36.356  1.1050 65.313   3.9654  67.255   4.1955  49.052   12.141  36.891  1.1522 31.017  4.0633 5.873688       4.223499  
1 1 1 16  -10 9  o 85.531  1.7069 362.157  14.410  356.833  19.897  368.030  20.897  84.777  2.3778 86.078  2.4596 -1.301743      3.421005  
1 1 1 16  -9  0  o 58.922  1.8083 171.837  10.517  164.901  12.205  191.826  20.721  57.687  2.1436 61.937  3.4025 -4.250050      4.021410  
1 1 1 16  -9  1  o 59.140  1.7965 173.092  10.487  193.939  22.172  167.086  11.902  62.230  3.6255 58.077  2.0762 4.153111       4.177903  
1 1 1 16  -9  2  o 63.180  1.3844 197.322  8.6330  215.029  12.004  178.351  12.425  65.912  1.8451 60.002  2.0979 5.909641       2.793885  
1 1 1 16  -9  3  o 52.565  1.3991 136.591  7.2590  146.043  10.673  128.455  9.9019  54.307  1.9911 50.934  1.9696 3.373058       2.800705  
1 1 1 16  -9  4  o 27.876  1.1476 38.394   3.1576  30.719   4.4045  46.509   4.5290  24.849  1.8082 30.669  1.4962 -5.820248      2.346931  
1 1 1 16  -9  5  o 115.626 1.9927 662.066  22.742  668.320  32.445  656.025  31.886  115.968 2.8345 114.902 2.8115 1.065231       3.992397  
1 1 1 16  -9  6  o 59.581  3.6946 177.942  21.620  175.471  23.569  191.058  54.298  59.068  4.0674 59.299  9.6054 -0.2307549     10.43107  
1 1 1 16  -9  7  o 76.391  2.0345 289.045  15.340  280.415  21.483  298.023  21.912  75.101  2.8980 77.429  2.8672 -2.328087      4.076668  
1 1 1 16  -9  8  o 72.103  1.5305 257.111  10.892  233.026  15.128  283.032  15.694  68.562  2.2355 75.580  2.1038 -7.018425      3.069764  
1 1 1 16  -9  9  o 58.595  1.2531 169.686  7.2470  174.489  11.534  166.553  9.3152  59.355  1.9688 58.022  1.6265 1.332737       2.553785  
1 1 1 16  -9  10 o 59.886  1.4005 177.327  8.2786  184.173  12.140  171.376  11.318  60.969  2.0174 58.821  1.9494 2.148624       2.805379  
1 1 1 16  -9  11 o 49.894  10.371 140.185  49.407  0.0000   0.0000  140.185  49.407  ?       ?      49.894  10.371 0.000000       10.37081  
1 1 1 16  -8  0  o 35.007  7.7119 65.547   25.928  83.062   36.440  47.588   36.900  38.925  9.5551 30.428  10.312 8.497467       14.05854  
1 1 1 16  -8  1  o 26.827  7.3576 38.181   20.067  43.030   29.073  33.770   27.733  28.693  9.1250 26.147  8.9396 2.545349       12.77427  
1 1 1 16  -8  2  o 74.387  6.3867 283.302  46.438  292.205  65.893  274.517  65.456  74.174  9.1977 71.711  9.4800 2.462616       13.20858  
1 1 1 16  -8  3  o 47.508  7.0514 117.704  32.062  142.603  45.706  93.582   44.987  51.450  9.3445 41.019  10.919 10.43074       14.37132  
1 1 1 16  -8  4  o 30.076  7.4182 48.236   21.884  53.628   30.942  42.839   30.955  31.596  9.2985 28.818  9.4377 2.777401       13.24889  
1 1 1 16  -8  5  o 46.718  6.9006 113.707  30.863  122.420  43.284  104.696  44.019  47.468  9.5688 43.520  10.391 3.947506       14.12560  
1 1 1 16  -8  6  o 39.654  8.4208 84.578   31.941  82.187   55.938  85.734   38.907  38.563  12.690 39.449  9.9835 -0.8863411     16.14609  
1 1 1 16  -8  7  o 102.040 9.3389 553.046  93.015  0.0000   0.0000  553.046  93.015  ?       ?      102.040 9.3389 0.000000       9.338867  
1 1 1 16  -8  8  o 58.774  9.5461 186.720  53.479  0.0000   0.0000  186.720  53.479  ?       ?      58.774  9.5461 0.000000       9.546118  
1 1 1 16  -8  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  -8  10 o 49.777  10.120 136.697  48.027  0.0000   0.0000  136.697  48.027  ?       ?      49.777  10.120 0.000000       10.11999  
1 1 1 16  -8  11 o 109.996 2.2718 599.855  24.665  642.064  44.144  580.697  29.740  113.280 3.9481 108.101 2.7872 5.178764       4.832823  
1 1 1 16  -8  12 o 25.557  1.6036 32.441   4.0247  0.0000   0.0000  32.441   4.0247  ?       ?      25.557  1.6036 0.000000       1.603566  
1 1 1 16  -7  0  f 79.430  6.4672 322.246  50.263  321.089  70.717  323.427  71.455  77.876  9.3893 78.123  9.4593 -0.2471008     13.32803  
1 1 1 16  -7  1  o 58.683  6.5272 176.688  37.167  164.946  52.876  188.155  52.253  55.288  10.060 59.530  9.1886 -4.242283      13.62471  
1 1 1 16  -7  2  o 47.788  6.6425 117.905  30.485  136.728  43.664  100.006  42.580  50.660  9.0650 42.809  10.219 7.851414       13.66010  
1 1 1 16  -7  3  o 49.466  2.6951 121.673  13.109  125.213  18.541  118.135  18.537  50.004  3.7847 48.540  3.9020 1.464405       5.435999  
1 1 1 16  -7  4  o 22.920  4.7955 27.259   10.500  21.814   14.718  32.903   14.984  20.783  6.4768 25.038  6.1158 -4.254774      8.907997  
1 1 1 16  -7  5  o 87.400  2.0484 378.009  17.671  384.530  25.012  371.512  24.969  88.034  2.8785 86.524  2.9237 1.510254       4.102896  
1 1 1 16  -7  6  o 48.224  1.6703 114.981  7.9503  68.975   39.837  116.890  8.1135  35.675  10.565 48.621  1.6906 -12.94575      10.69925  
1 1 1 16  -7  7  o 101.463 6.3881 524.270  63.649  526.008  89.861  522.521  90.166  100.002 9.2073 99.622  9.2763 0.3795700      13.06998  
1 1 1 16  -7  8  o 27.141  7.2157 39.045   19.663  22.575   27.739  55.682   27.879  23.473  8.8228 32.173  8.6096 -8.699753      12.32749  
1 1 1 16  -7  9  o 28.180  7.4813 42.283   21.157  44.758   30.012  39.838   29.830  29.225  9.2687 27.949  9.2700 1.275871       13.10880  
1 1 1 16  -7  10 o 42.008  6.8397 92.319   27.384  85.632   38.879  98.902   38.576  39.414  9.9828 42.578  9.4280 -3.163429      13.73108  
1 1 1 16  -7  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  -7  12 o 36.627  7.4730 71.507   26.102  59.867   37.424  82.532   36.423  33.205  10.324 38.722  9.5819 -5.517448      14.08567  
1 1 1 16  -7  13 o 18.604  6.9011 14.309   16.862  11.764   25.175  16.379   22.707  20.330  8.1806 20.713  7.9362 -0.3833141     11.39764  
1 1 1 16  -6  0  o 89.602  1.6935 396.898  14.977  407.564  21.406  386.671  20.962  90.720  2.3906 88.363  2.4034 2.357567       3.389864  
1 1 1 16  -6  1  o 107.546 1.8968 571.983  20.135  569.820  28.380  574.176  28.573  107.233 2.6813 107.641 2.6893 -0.4078140     3.797599  
1 1 1 16  -6  2  o 68.676  1.5035 233.052  10.192  233.220  14.437  232.886  14.389  68.657  2.1304 68.609  2.1248 0.4869843E-01  3.008941  
1 1 1 16  -6  3  o 103.112 1.9235 525.770  19.577  521.902  27.089  529.997  28.323  102.637 2.6740 103.414 2.7748 -0.7775726     3.853497  
1 1 1 16  -6  4  o 46.263  1.2690 105.719  5.7946  108.431  8.2711  103.105  8.1206  46.833  1.7893 45.668  1.8015 1.165264       2.539114  
1 1 1 16  -6  5  f 15.333  4.7364 11.719   7.8907  17.475   11.160  5.9649   11.158  18.581  5.6123 14.076  5.5166 4.504187       7.869609  
1 1 1 16  -6  6  o 82.233  1.4003 334.101  11.366  329.823  16.073  338.380  16.075  81.659  1.9941 82.714  1.9690 -1.054810      2.802411  
1 1 1 16  -6  7  f 46.982  1.2050 109.027  5.5878  108.395  7.8671  109.671  7.9381  46.826  1.7021 47.100  1.7075 -0.2744370     2.410984  
1 1 1 16  -6  8  o 53.744  1.5551 142.760  8.2493  165.105  47.995  142.079  8.3739  55.854  9.0127 53.614  1.5824 2.239571       9.150567  
1 1 1 16  -6  9  o 21.473  1.1487 22.839   2.4257  18.886   3.4911  26.529   3.3728  19.454  1.8399 23.121  1.4858 -3.666632      2.364943  
1 1 1 16  -6  10 o 27.939  1.1176 38.557   3.0819  47.647   4.3932  29.749   4.3246  31.050  1.4335 24.458  1.8041 6.591667       2.304308  
1 1 1 16  -6  11 o 52.251  2.4033 135.314  12.395  140.788  18.715  131.037  16.543  53.041  3.5959 51.221  3.2896 1.819263       4.873600  
1 1 1 16  -6  12 o 41.608  6.8872 90.598   27.295  99.592   39.837  82.640   37.474  42.670  9.6809 38.804  9.7859 3.865776       13.76528  
1 1 1 16  -6  13 o 53.971  13.599 170.368  72.416  170.368  72.416  0.0000   0.0000  53.971  13.599 ?       ?      0.000000       13.59943  
1 1 1 16  -6  14 o 52.910  6.7605 145.482  34.499  130.699  49.014  159.996  48.566  48.468  10.545 54.346  9.3937 -5.877823      14.12254  
1 1 1 16  -5  0  o 180.859 2.6988 1620.51  48.178  1573.09  68.130  1667.93  68.137  177.830 3.8815 183.153 3.7691 -5.323502      5.410368  
1 1 1 16  -5  1  o 63.736  1.3494 200.667  8.4889  188.413  12.015  212.879  11.995  61.728  1.9721 65.621  1.8519 -3.892902      2.705313  
1 1 1 16  -5  2  o 64.265  1.8609 204.166  11.804  205.748  16.276  202.410  17.144  64.466  2.5580 63.928  2.7170 0.5380554      3.731622  
1 1 1 16  -5  3  o 134.687 2.0213 896.994  26.872  893.521  37.632  900.607  38.384  134.301 2.8389 134.824 2.8844 -0.5232849     4.047060  
1 1 1 16  -5  4  o 110.463 1.7617 603.063  19.208  587.342  27.146  618.824  27.181  108.930 2.5248 111.820 2.4627 -2.889328      3.526972  
1 1 1 16  -5  5  o 37.204  2.5030 68.817   9.1378  63.692   12.814  74.119   13.035  35.622  3.6983 38.492  3.4681 -2.869316      5.069999  
1 1 1 16  -5  6  o 17.908  1.1633 15.904   2.0452  22.179   2.8876  9.5878   2.8970  21.144  1.3914 13.751  2.2093 7.393227       2.610938  
1 1 1 16  -5  7  o 43.608  1.2152 93.920   5.2306  96.680   7.3704  91.120   7.4244  44.229  1.6883 42.936  1.7519 1.292984       2.432987  
1 1 1 16  -5  8  o 92.605  1.6559 423.829  15.136  433.748  21.225  413.566  21.591  93.620  2.2969 91.405  2.3931 2.214752       3.317044  
1 1 1 16  -5  9  o 74.027  2.2083 271.185  16.135  346.175  66.642  266.515  16.630  81.788  8.3732 73.379  2.2961 8.409615       8.682335  
1 1 1 16  -5  10 o 33.735  1.1429 56.209   3.8055  50.664   5.5170  61.242   5.2561  31.963  1.7555 35.202  1.5127 -3.239649      2.317323  
1 1 1 16  -5  11 o 24.269  0.8862 29.082   2.1228  29.212   3.6151  29.013   2.6226  24.264  1.5171 24.237  1.0963 0.2724838E-01  1.871735  
1 1 1 16  -5  12 o 55.401  1.2514 151.637  6.8430  161.360  10.056  143.252  9.3388  57.117  1.7837 53.818  1.7580 3.298622       2.504433  
1 1 1 16  -5  13 o 17.808  1.2699 15.749   2.2176  16.921   3.1785  14.637   3.0953  18.411  1.7709 17.099  1.8642 1.311634       2.571261  
1 1 1 16  -5  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  -5  15 f 51.020  8.0159 137.845  39.036  139.196  68.919  137.206  47.367  48.633  13.747 50.048  9.9392 -1.414978      16.96356  
1 1 1 16  -4  0  f 51.586  2.0281 131.588  10.327  132.702  14.083  130.292  15.188  51.687  2.7705 51.183  3.0197 0.5042381      4.098071  
1 1 1 16  -4  1  o 140.579 2.3769 977.770  32.981  972.525  39.972  988.957  58.376  140.117 2.8903 141.005 4.1943 -0.8889465     5.093716  
1 1 1 16  -4  2  o 74.635  1.5491 275.191  11.412  282.751  15.618  266.533  16.716  75.621  2.0925 73.406  2.3071 2.215538       3.114644  
1 1 1 16  -4  3  o 64.372  1.4127 204.672  8.9760  191.365  12.932  217.042  12.469  62.213  2.1060 66.266  1.9063 -4.053600      2.840625  
1 1 1 16  -4  4  o 114.529 1.7993 648.203  20.340  645.788  28.764  650.618  28.766  114.239 2.5509 114.667 2.5416 -0.4275742     3.600950  
1 1 1 16  -4  5  o 37.681  1.2538 70.119   4.6632  76.167   6.5373  63.853   6.6538  39.263  1.6869 35.894  1.8847 3.368233       2.529326  
1 1 1 16  -4  6  o 102.112 1.6843 515.188  16.975  521.602  24.326  509.101  23.700  102.683 2.4002 101.448 2.3668 1.234566       3.370862  
1 1 1 16  -4  7  o 39.883  1.5567 78.585   6.1283  96.650   12.279  72.592   7.0721  44.087  2.8367 38.324  1.8696 5.763519       3.397399  
1 1 1 16  -4  8  o 38.013  0.9376 71.340   3.5179  78.081   4.9789  64.620   4.9712  39.762  1.2686 36.169  1.3925 3.592220       1.883713  
1 1 1 16  -4  9  o 152.310 2.5559 1148.46  38.425  1189.44  55.864  1111.66  52.936  154.751 3.6574 149.624 3.5844 5.126663       5.120932  
1 1 1 16  -4  10 o 43.882  6.6410 99.214   27.865  98.431   39.293  100.006  39.522  42.894  9.5286 43.244  9.5174 -0.3501053     13.46758  
1 1 1 16  -4  11 o 77.349  1.5053 295.641  11.492  281.409  15.839  311.464  16.700  75.416  2.1278 79.341  2.1326 -3.924683      3.012509  
1 1 1 16  -4  12 o 39.030  1.0508 75.232   4.0481  93.860   6.6825  64.434   5.0878  43.578  1.5536 36.110  1.4275 7.467358       2.109830  
1 1 1 16  -4  13 o 119.252 1.8865 703.511  22.205  725.165  32.037  683.488  30.806  120.926 2.6841 117.405 2.6583 3.520996       3.777701  
1 1 1 16  -4  14 o 76.302  1.4491 287.753  10.913  290.489  13.849  283.269  17.727  76.630  1.8310 75.610  2.3753 1.019722       2.999092  
1 1 1 16  -4  15 f 180.183 4.0527 1621.69  72.076  1666.09  95.924  1564.13  109.228 181.829 5.3448 175.468 6.3067 6.361252       8.266867  
1 1 1 16  -4  16 o 28.931  8.1574 44.749   24.300  54.489   41.256  39.575   30.069  32.286  10.904 27.863  9.3095 4.422907       14.33766  
1 1 1 16  -3  0  o 57.914  1.6730 165.727  9.5631  191.097  51.396  164.818  9.7331  60.640  8.8475 57.753  1.7074 2.886360       9.010727  
1 1 1 16  -3  1  o 98.645  1.6737 480.785  16.296  487.948  23.477  474.124  22.639  99.319  2.3948 97.906  2.3427 1.412163       3.350115  
1 1 1 16  -3  2  o 83.251  1.4994 342.344  12.321  347.257  17.677  337.702  17.181  83.809  2.1370 82.650  2.1061 1.159073       3.000388  
1 1 1 16  -3  3  o 36.765  0.8623 66.726   3.1290  65.985   4.4003  67.484   4.4503  36.555  1.2195 36.968  1.2196 -0.4127235     1.724753  
1 1 1 16  -3  4  o 38.565  2.2984 73.802   8.7091  74.586   12.410  73.041   12.226  38.662  3.2830 38.258  3.2689 0.4036217      4.632886  
1 1 1 16  -3  5  o 9.0883  1.0306 4.1304   0.9082  4.9080   1.2922  3.3714   1.2766  9.8762  1.3618 8.1145  1.6501 1.761765       2.139505  
1 1 1 16  -3  6  o 57.834  1.7924 165.264  10.232  172.298  14.796  158.817  14.165  59.016  2.5400 56.661  2.5327 2.355316       3.586922  
1 1 1 16  -3  7  o 65.004  1.3823 208.689  8.8689  217.092  12.772  200.865  12.325  66.276  1.9524 63.751  1.9587 2.525375       2.765574  
1 1 1 16  -3  8  o 131.793 2.1285 858.744  27.689  870.122  38.915  847.077  39.406  132.551 2.9744 130.772 3.0529 1.779236       4.262309  
1 1 1 16  -3  9  o 96.727  1.7029 462.301  16.258  501.717  23.011  423.012  22.974  100.715 2.3148 92.460  2.5174 8.255318       3.419836  
1 1 1 16  -3  10 o 132.687 2.0900 870.581  27.372  898.674  38.553  842.026  38.869  134.690 2.9000 130.355 3.0209 4.334976       4.187565  
1 1 1 16  -3  11 o 80.430  3.4792 321.136  27.621  321.136  27.621  0.0000   0.0000  80.430  3.4792 ?       ?      0.000000       3.479238  
1 1 1 16  -3  12 o 63.940  1.2367 201.934  7.8052  193.320  11.982  208.284  10.288  62.524  1.9415 64.920  1.6055 -2.395458      2.519295  
1 1 1 16  -3  13 o 30.904  0.9441 47.160   2.8800  43.053   4.8344  49.419   3.5856  29.464  1.6692 31.632  1.1484 -2.167467      2.026085  
1 1 1 16  -3  14 o 94.536  1.6491 441.841  15.388  427.898  22.149  454.850  21.395  92.938  2.4145 95.843  2.2616 -2.904518      3.308228  
1 1 1 16  -3  15 o 62.358  1.3529 192.151  8.3271  184.261  10.809  203.669  13.060  61.035  1.7942 64.146  2.0628 -3.110764      2.733910  
1 1 1 16  -3  16 o 36.001  1.4400 64.058   5.1168  64.150   5.5160  63.490   13.699  36.022  1.5514 35.449  3.9844 0.5733223      4.275736  
1 1 1 16  -3  17 o 34.630  7.1633 63.611   23.677  67.065   33.423  60.132   33.547  35.043  9.4476 33.269  9.6509 1.774242       13.50549  
1 1 1 16  -2  0  o 65.680  1.7568 213.158  11.389  216.215  15.772  209.827  16.463  66.112  2.4169 65.119  2.5614 0.9933090      3.521683  
1 1 1 16  -2  1  f 108.384 6.2216 589.981  66.279  532.656  93.341  648.278  94.130  101.834 9.3922 112.797 8.5175 -10.96263      12.67916  
1 1 1 16  -2  2  o 84.695  1.5938 354.332  13.323  360.699  18.181  346.947  19.581  85.421  2.1564 83.762  2.3683 1.658508       3.202995  
1 1 1 16  -2  3  f 31.574  2.6218 49.654   8.0969  48.086   11.385  51.259   11.518  30.907  3.8127 31.939  3.7235 -1.031771      5.329268  
1 1 1 16  -2  4  o 146.716 2.1732 1064.00  31.471  1100.50  45.135  1029.47  43.904  149.094 3.0671 144.200 3.0847 4.894333       4.349937  
1 1 1 16  -2  5  o 94.210  1.7485 438.464  16.259  440.773  22.902  436.118  23.087  94.411  2.4577 93.908  2.4907 0.5024643      3.499121  
1 1 1 16  -2  6  o 63.024  1.4056 196.156  8.7436  186.913  12.249  205.758  12.485  61.500  2.0179 64.528  1.9602 -3.028309      2.813224  
1 1 1 16  -2  7  o 57.052  1.3191 160.731  7.4283  158.162  10.782  163.051  10.249  56.575  1.9308 57.447  1.8075 -0.8722382     2.644769  
1 1 1 16  -2  8  o 41.473  1.3715 84.942   5.6144  85.701   7.9176  84.175   7.9624  41.645  1.9262 41.272  1.9546 0.3730736      2.744226  
1 1 1 16  -2  9  o 200.021 2.9775 1980.92  58.783  1929.38  93.274  2014.88  75.712  196.892 4.7995 201.521 3.8063 -4.629166      6.125655  
1 1 1 16  -2  10 o 89.769  1.7228 398.166  15.265  430.983  25.936  380.773  18.881  93.305  2.8162 87.756  2.1798 5.548676       3.561248  
1 1 1 16  -2  11 o 13.204  1.3652 8.7034   1.7536  8.3873   2.5194  9.0005   2.4424  12.866  2.0529 13.360  1.9062 -0.4943466     2.801424  
1 1 1 16  -2  12 o 62.631  1.8634 193.901  11.519  195.268  11.808  166.943  52.436  62.849  1.9034 56.200  9.8096 6.648743       9.992582  
1 1 1 16  -2  13 o 19.307  0.8232 18.402   1.5687  22.458   2.6494  16.213   1.9466  21.285  1.2668 18.086  1.0956 3.199354       1.674805  
1 1 1 16  -2  14 o 180.214 2.5765 1609.03  45.831  1607.69  65.117  1610.34  64.516  179.782 3.6696 179.945 3.6324 -0.1622925     5.163355  
1 1 1 16  -2  15 o 53.246  1.3184 140.076  6.9292  143.939  9.9748  136.474  9.6329  53.945  1.8734 52.528  1.8579 1.416615       2.638463  
1 1 1 16  -2  16 o 73.371  1.4277 266.051  10.339  252.576  13.490  285.233  16.096  71.449  1.9129 75.903  2.1484 -4.453773      2.876612  
1 1 1 16  -2  17 o 19.736  4.3900 20.240   8.3311  12.442   13.591  24.934   10.545  17.128  6.2215 21.858  4.9965 -4.729650      7.979450  
1 1 1 16  -2  18 o 17.774  6.3899 13.816   14.287  11.766   19.935  15.982   20.487  18.852  7.3776 20.096  7.5766 -1.244930      10.57515  
1 1 1 16  -1  0  o 66.646  1.1766 219.320  7.7399  218.918  10.271  219.848  11.773  66.572  1.5632 66.703  1.7882 -0.1317902     2.375125  
1 1 1 16  -1  1  o 75.662  1.5135 282.757  11.303  285.852  16.383  279.945  15.616  76.043  2.1827 75.257  2.1022 0.7852707      3.030453  
1 1 1 16  -1  2  o 88.353  2.3373 385.954  20.383  385.954  20.383  0.0000   0.0000  88.353  2.3373 ?       ?      0.000000       2.337339  
1 1 1 16  -1  3  o 94.973  1.6898 445.551  15.841  447.368  22.639  443.808  22.172  95.121  2.4113 94.745  2.3710 0.3763275      3.381694  
1 1 1 16  -1  4  o 47.337  1.2541 110.642  5.8594  113.857  8.3014  107.451  8.2715  48.009  1.7518 46.637  1.7969 1.371471       2.509530  
1 1 1 16  -1  5  o 91.370  1.6732 412.371  15.090  418.717  21.934  406.669  20.793  92.028  2.4147 90.700  2.3226 1.327469       3.350374  
1 1 1 16  -1  6  o 207.459 3.5117 2132.14  71.908  2154.51  101.694 2109.78  101.694 208.156 4.9496 205.968 5.0022 2.188538       7.037102  
1 1 1 16  -1  7  o 45.118  2.1272 100.603  9.4731  93.409   13.674  107.243  13.136  43.317  3.2214 46.467  2.8782 -3.150402      4.319860  
1 1 1 16  -1  8  o 88.983  1.5571 391.069  13.676  402.122  19.344  380.021  19.338  90.199  2.1727 87.681  2.2345 2.517494       3.116674  
1 1 1 16  -1  9  o 125.434 2.0634 777.584  25.547  770.333  35.918  785.007  36.343  124.760 2.9168 125.942 2.9236 -1.181816      4.129817  
1 1 1 16  -1  10 o 64.949  1.6702 208.389  10.707  222.372  21.302  203.661  12.386  67.004  3.2210 64.197  1.9547 2.807335       3.767705  
1 1 1 16  -1  11 o 98.406  1.8737 478.548  18.199  483.290  30.816  476.009  22.552  98.772  3.1609 98.109  2.3289 0.6624603      3.926217  
1 1 1 16  -1  12 o 93.167  1.7267 428.911  15.879  426.552  21.966  431.493  22.982  92.858  2.3966 93.385  2.4933 -0.5271072     3.458314  
1 1 1 16  -1  13 o 52.162  1.3039 134.385  6.7130  138.639  9.2797  129.715  9.7232  52.964  1.7751 51.224  1.9231 1.739418       2.617105  
1 1 1 16  -1  14 o 134.506 2.2568 895.215  29.961  863.787  41.567  929.201  43.225  131.951 3.1915 136.854 3.2000 -4.903183      4.519490  
1 1 1 16  -1  15 o 69.991  1.4929 242.074  10.313  230.508  16.488  249.508  13.219  68.223  2.4485 71.030  1.8855 -2.806358      3.090319  
1 1 1 16  -1  16 o 36.191  0.9633 64.679   3.4410  68.301   4.3357  58.515   5.6557  37.185  1.1813 34.403  1.6656 2.782269       2.041957  
1 1 1 16  -1  17 o 65.725  1.2691 213.426  8.2331  203.488  12.690  220.650  10.819  64.124  2.0049 66.804  1.6408 -2.679718      2.590788  
1 1 1 16  -1  18 o 56.901  7.4253 168.599  40.709  197.872  71.052  154.294  49.670  59.156  12.557 53.408  9.7827 5.748203       15.91790  
1 1 1 16  -1  19 o 83.801  6.3722 359.690  52.313  395.233  74.396  324.928  73.574  86.460  8.8421 77.736  9.8071 8.723991       13.20461  
1 1 1 16  0   0  o 195.605 2.9009 1894.03  56.007  1901.55  75.738  1884.94  83.197  195.747 3.9200 194.773 4.3276 0.9745331      5.839036  
1 1 1 16  0   1  o 40.507  1.2191 81.016   4.8742  85.060   7.1417  77.490   6.6689  41.494  1.7437 39.606  1.7059 1.888615       2.439430  
1 1 1 16  0   2  o 90.756  1.5727 406.816  14.088  415.333  20.347  398.971  19.526  91.664  2.2489 89.843  2.2019 1.820740       3.147376  
1 1 1 16  0   3  o 166.760 3.1866 1376.64  52.452  1398.70  56.189  1227.19  146.262 168.057 3.3874 155.267 9.5907 12.78969       10.17130  
1 1 1 16  0   4  o 223.191 2.9733 2464.84  65.500  2451.76  92.918  2477.76  92.347  222.300 4.2348 223.489 4.1863 -1.189209      5.954706  
1 1 1 16  0   5  o 35.446  2.3342 62.373   8.1206  65.798   12.001  59.480   11.029  36.296  3.3889 34.508  3.2775 1.788013       4.714510  
1 1 1 16  0   6  o 114.767 1.7002 650.582  19.260  658.263  27.237  642.901  27.237  115.395 2.3913 114.039 2.4198 1.356682       3.402023  
1 1 1 16  0   7  o 58.707  1.3242 170.178  7.6734  176.016  10.980  164.604  10.728  59.690  1.8636 57.722  1.8830 1.968086       2.649301  
1 1 1 16  0   8  o 99.488  1.7558 488.922  17.241  496.218  24.489  481.752  24.278  100.182 2.4766 98.710  2.4919 1.472176       3.513239  
1 1 1 16  0   9  o 94.516  1.6842 441.257  15.712  442.393  22.092  440.094  22.351  94.598  2.3660 94.349  2.4000 0.2484970      3.370190  
1 1 1 16  0   10 o 76.471  1.5607 288.828  11.780  297.225  16.654  280.418  16.665  77.546  2.1758 75.318  2.2417 2.227936       3.123995  
1 1 1 16  0   11 f 57.883  2.0611 165.591  11.775  159.888  19.135  169.067  14.939  56.702  3.4351 58.463  2.5889 -1.761314      4.301451  
1 1 1 16  0   12 o 201.379 2.8007 2007.23  55.669  2017.60  79.303  1997.15  78.165  201.598 3.9854 200.585 3.9480 1.013428       5.609817  
1 1 1 16  0   13 o 96.175  1.8770 457.145  17.818  467.939  27.977  449.778  23.112  97.204  2.9160 95.348  2.4558 1.856621       3.812358  
1 1 1 16  0   14 o 91.844  1.6401 416.815  14.868  423.842  20.423  408.892  21.686  92.566  2.2353 90.901  2.4170 1.664795       3.292192  
1 1 1 16  0   15 o 51.755  1.6921 132.393  8.6441  135.433  16.153  131.173  10.233  52.156  3.1525 51.500  2.0130 0.6556892      3.740384  
1 1 1 16  0   16 o 51.786  1.9411 132.648  9.9217  125.933  13.640  140.195  14.459  50.327  2.7563 53.107  2.7680 -2.779736      3.906248  
1 1 1 16  0   17 o 46.663  0.9929 107.528  4.5730  113.004  6.4712  102.065  6.4632  47.822  1.3709 45.446  1.4409 2.376511       1.988851  
1 1 1 16  0   18 o 48.394  1.2113 115.698  5.7859  101.009  8.2640  129.821  8.1033  45.187  1.8528 51.243  1.6021 -6.055977      2.449447  
1 1 1 16  0   19 o 33.622  11.358 59.195   44.760  0.0000   0.0000  59.195   44.760  ?       ?      33.622  11.358 0.000000       11.35779  
1 1 1 16  0   20 o 80.604  6.3942 333.372  50.454  344.418  71.464  322.394  71.243  80.368  9.1733 77.519  9.5105 2.849091       13.21359  
1 1 1 16  1   0  o 94.475  1.6421 440.915  15.313  443.749  21.695  438.102  21.617  94.734  2.3202 94.128  2.3267 0.6052399      3.285825  
1 1 1 16  1   1  o 95.146  1.6353 447.155  15.358  460.944  22.030  434.118  21.421  96.560  2.3115 93.707  2.3160 2.852264       3.272114  
1 1 1 16  1   2  o 136.050 1.9166 914.513  25.737  964.727  36.671  865.768  36.131  139.663 2.6602 132.294 2.7670 7.368576       3.838313  
1 1 1 16  1   3  o 140.850 2.0562 980.295  28.586  1001.78  39.856  957.533  41.023  142.306 2.8375 139.110 2.9877 3.195923       4.120389  
1 1 1 16  1   4  o 54.004  1.2737 143.996  6.7891  152.442  9.7186  135.947  9.4879  55.553  1.7724 52.460  1.8324 3.093227       2.549318  
1 1 1 16  1   5  o 166.243 2.2747 1365.89  37.325  1375.52  52.788  1356.26  52.784  166.708 3.2081 165.534 3.2306 1.174393       4.552858  
1 1 1 16  1   6  o 126.855 1.8403 794.923  23.043  815.993  32.764  774.302  32.413  128.466 2.5839 125.138 2.6242 3.328491       3.682842  
1 1 1 16  1   7  o 204.522 2.9788 2069.45  60.134  2046.67  85.044  2092.24  85.041  203.135 4.2416 205.396 4.1947 -2.260300      5.965431  
1 1 1 16  1   8  o 94.545  1.6373 441.482  15.279  469.262  21.943  415.339  21.287  97.440  2.2816 91.666  2.3527 5.773514       3.277318  
1 1 1 16  1   9  o 179.985 2.5579 1601.77  45.441  1604.13  63.925  1599.35  64.606  179.951 3.5990 179.675 3.6430 0.2763062      5.120946  
1 1 1 16  1   10 o 24.908  1.2050 30.632   2.9624  26.256   4.2352  34.823   4.1453  22.976  1.8841 26.505  1.5919 -3.529041      2.466527  
1 1 1 16  1   11 o 196.621 3.0192 1913.44  58.595  1940.40  83.605  1887.41  82.146  197.713 4.2842 194.999 4.2680 2.714111       6.047275  
1 1 1 16  1   12 o 56.437  1.8933 157.382  10.547  149.320  15.045  165.172  14.789  54.863  2.7874 57.786  2.5929 -2.922737      3.806911  
1 1 1 16  1   13 o 82.101  1.7470 333.035  14.157  345.282  20.107  320.996  19.936  83.551  2.4381 80.554  2.5073 2.996956       3.497277  
1 1 1 16  1   14 o 78.979  1.9646 308.333  15.315  250.828  63.215  311.919  15.785  69.440  9.4701 79.433  2.0133 -9.993347      9.681744  
1 1 1 16  1   15 o 83.807  1.6812 347.093  13.907  354.220  19.230  339.278  20.137  84.614  2.3025 82.795  2.4641 1.818779       3.372472  
1 1 1 16  1   16 o 27.088  3.4812 37.038   9.0923  33.035   13.061  40.801   12.665  25.206  5.4113 28.218  4.7136 -3.011173      7.176382  
1 1 1 16  1   17 o 74.727  1.6907 276.070  12.470  268.132  16.220  287.544  19.501  73.598  2.2328 76.175  2.5937 -2.577278      3.422345  
1 1 1 16  1   18 o 80.132  1.7139 317.511  13.556  320.489  20.108  315.031  18.353  80.413  2.5334 79.752  2.3315 0.6617126      3.442947  
1 1 1 16  1   19 o 55.478  6.3043 157.950  33.909  159.367  48.383  156.582  47.537  54.558  9.3192 54.107  9.2325 0.4515877      13.11816  
1 1 1 16  1   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  2   0  o 158.544 6.6117 1259.54  103.465 1279.48  146.471 1239.68  146.174 158.316 9.4158 155.750 9.5546 2.565674       13.41440  
1 1 1 16  2   1  o 86.843  6.0935 378.404  51.901  387.270  73.438  369.558  73.359  87.147  8.6520 85.043  8.8699 2.103844       12.39084  
1 1 1 16  2   2  o 98.943  6.1603 490.460  59.863  489.069  84.748  491.845  84.571  98.031  8.8541 98.326  8.8073 -0.2959061     12.48857  
1 1 1 16  2   3  o 171.290 3.8335 1454.08  64.812  1478.51  68.166  1223.99  209.197 172.691 3.9992 152.702 14.037 19.98859       14.59535  
1 1 1 16  2   4  o 197.320 4.5231 1932.42  88.092  1669.13  181.670 2013.35  100.727 181.045 10.208 201.264 5.0704 -20.21921      11.39788  
1 1 1 16  2   5  o 59.270  1.2737 173.449  7.4517  182.244  10.441  164.319  10.638  60.743  1.7415 57.675  1.8687 3.068127       2.554394  
1 1 1 16  2   6  o 110.950 1.7877 608.034  19.578  594.169  27.677  621.919  27.696  109.628 2.5578 112.163 2.5017 -2.535110      3.577854  
1 1 1 16  2   7  o 162.488 2.2182 1304.73  35.576  1325.89  50.153  1283.30  50.473  163.696 3.1040 161.036 3.1754 2.660797       4.440503  
1 1 1 16  2   8  f 94.860  1.5825 444.394  14.817  437.424  21.658  450.526  20.315  94.076  2.3325 95.485  2.1555 -1.408844      3.175935  
1 1 1 16  2   9  o 26.148  1.7845 33.929   4.5781  49.733   14.300  32.124   4.8324  31.293  4.7815 25.426  1.9402 5.867290       5.160140  
1 1 1 16  2   10 o 30.052  0.7003 44.577   2.0772  45.350   2.9415  43.808   2.9338  30.309  0.9832 29.789  0.9978 0.5199146      1.400824  
1 1 1 16  2   11 o 33.956  2.5593 57.338   8.5146  49.306   11.934  65.666   12.152  31.290  3.9522 36.252  3.4372 -4.961491      5.237767  
1 1 1 16  2   12 o 220.176 3.3867 2401.20  73.601  2416.20  104.356 2386.35  103.821 220.460 4.7957 219.092 4.8009 1.367554       6.785856  
1 1 1 16  2   13 o 13.039  4.4560 7.7435   6.8904  12.892   10.158  3.3560   9.3776  16.441  5.4074 12.366  4.9869 4.075254       7.355906  
1 1 1 16  2   14 o 124.431 1.9772 765.259  24.284  769.898  34.270  760.581  34.415  124.715 2.7839 123.955 2.8129 0.7607193      3.957637  
1 1 1 16  2   15 o 81.480  2.7967 328.750  22.492  345.093  70.758  326.914  23.722  81.799  8.9079 81.235  2.9586 0.5636215      9.386323  
1 1 1 16  2   16 o 123.358 2.0001 752.481  24.353  731.929  33.740  774.832  35.185  121.545 2.8124 125.050 2.8506 -3.504890      4.004443  
1 1 1 16  2   17 o 112.531 2.0157 626.393  22.389  619.350  31.540  633.547  31.787  111.767 2.8590 113.042 2.8489 -1.275642      4.036119  
1 1 1 16  2   18 o 108.683 1.7968 584.137  19.275  572.077  26.724  597.213  27.827  107.449 2.5198 109.776 2.5682 -2.326614      3.597926  
1 1 1 16  2   19 o 93.882  3.2503 438.113  30.119  429.294  79.072  439.610  32.575  90.446  8.9758 93.986  3.5115 -3.540176      9.638188  
1 1 1 16  2   20 o 68.845  6.2591 242.366  42.068  261.193  59.908  224.053  59.086  70.332  8.8240 64.723  9.5347 5.609528       12.99130  
1 1 1 16  2   21 o 44.774  1.9801 99.251   8.7509  0.0000   0.0000  99.251   8.7509  ?       ?      44.774  1.9801 0.000000       1.980122  
1 1 1 16  3   0  o 157.262 7.6237 1245.65  118.338 1272.90  145.110 1191.55  204.474 157.923 9.3510 149.761 13.995 8.161697       16.83144  
1 1 1 16  3   1  f 20.532  6.7362 20.274   15.768  16.218   19.955  27.017   25.727  20.278  7.5103 24.495  8.5980 -4.217546      11.41621  
1 1 1 16  3   2  f 43.720  6.1994 97.243   26.003  95.387   36.884  99.078   36.665  42.679  9.0371 43.557  8.8306 -0.8779335     12.63522  
1 1 1 16  3   3  o 68.174  5.9597 233.395  39.700  258.612  56.280  208.421  56.009  71.285  8.1451 63.622  9.1849 7.662186       12.27616  
1 1 1 16  3   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  3   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  3   6  o 67.643  2.4032 226.159  16.045  232.620  22.469  219.437  22.919  68.555  3.3206 66.481  3.5051 2.073586       4.828311  
1 1 1 16  3   7  o 96.495  1.7467 459.896  16.636  468.312  23.334  451.194  23.726  97.337  2.4287 95.536  2.5161 1.801071       3.497051  
1 1 1 16  3   8  o 124.181 1.8481 761.748  22.652  790.811  32.284  733.567  31.791  126.473 2.5862 121.805 2.6442 4.668335       3.698707  
1 1 1 16  3   9  f 59.915  1.3180 177.249  7.7948  158.801  10.789  197.392  11.274  56.697  1.9280 63.215  1.8068 -6.518700      2.642266  
1 1 1 16  3   10 o 58.232  1.3227 167.434  7.6026  166.165  10.432  168.872  11.102  57.999  1.8224 58.466  1.9238 -0.4673386     2.649928  
1 1 1 16  3   11 o 99.340  1.6391 487.406  16.072  463.133  22.986  510.626  22.482  96.792  2.4059 101.645 2.2409 -4.853050      3.287851  
1 1 1 16  3   12 f 70.852  1.7456 247.976  12.207  237.109  17.154  259.126  17.376  69.248  2.5097 72.396  2.4316 -3.147972      3.494517  
1 1 1 16  3   13 o 173.576 2.5543 1490.07  43.761  1455.65  61.667  1524.99  62.111  171.371 3.6457 175.417 3.5873 -4.045700      5.114642  
1 1 1 16  3   14 o 251.900 3.3914 3144.48  84.321  3077.08  119.419 3211.50  119.077 248.645 4.8659 254.069 4.7484 -5.423767      6.798786  
1 1 1 16  3   15 o 47.149  1.2776 109.781  5.9457  115.955  6.5431  80.529   14.243  48.454  1.3681 40.126  3.6356 8.327667       3.884467  
1 1 1 16  3   16 f 104.783 3.1320 544.288  32.392  559.284  34.945  452.743  86.340  106.186 3.3342 93.457  9.4915 12.72889       10.06010  
1 1 1 16  3   17 o 33.732  1.2842 56.202   4.2757  55.380   6.0595  57.018   6.0340  33.418  1.8442 33.913  1.8092 -0.4949684     2.583453  
1 1 1 16  3   18 o 26.250  1.0998 34.032   2.8495  33.866   4.0662  34.192   3.9944  26.128  1.5842 26.257  1.5481 -0.1289368     2.214987  
1 1 1 16  3   19 o 50.963  2.1333 128.567  10.731  119.314  14.644  139.299  15.770  48.926  3.0475 52.881  3.0341 -3.955219      4.300373  
1 1 1 16  3   20 o 138.636 7.6952 990.656  104.887 966.310  181.841 1002.79  128.400 130.333 14.374 137.983 9.4853 -7.650116      17.22188  
1 1 1 16  3   21 o 127.209 6.5419 826.781  81.862  780.983  115.645 872.777  115.895 121.145 9.7540 128.617 9.1897 -7.471603      13.40115  
1 1 1 16  4   0  o 67.503  5.9784 229.508  39.421  271.040  56.051  188.855  55.454  72.884  7.9188 60.172  9.6642 12.71253       12.49417  
1 1 1 16  4   1  o 65.747  5.9858 217.552  38.420  246.619  54.556  188.954  54.114  69.508  8.1042 60.361  9.3879 9.146595       12.40204  
1 1 1 16  4   2  o 35.868  6.1678 65.979   21.048  79.213   29.860  52.908   29.675  39.001  8.0244 31.917  9.0200 7.084469       12.07272  
1 1 1 16  4   3  o 162.226 9.4624 1336.12  150.857 1335.60  213.452 1336.63  213.238 159.818 13.663 159.893 13.642 -0.7528687E-01 19.30725  
1 1 1 16  4   4  o 35.463  8.5355 65.781   29.517  67.083   41.757  64.481   41.730  36.069  10.847 35.483  10.881 0.5860863      15.36413  
1 1 1 16  4   5  o 122.753 12.935 784.132  154.362 0.0000   0.0000  784.132  154.362 ?       ?      122.753 12.935 0.000000       12.93480  
1 1 1 16  4   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  4   7  o 50.284  3.8851 126.015  19.133  126.015  19.133  0.0000   0.0000  50.284  3.8851 ?       ?      0.000000       3.885055  
1 1 1 16  4   8  f 78.815  1.3707 306.711  10.663  294.633  14.609  320.486  15.600  77.229  1.9165 80.544  1.9623 -3.315147      2.742908  
1 1 1 16  4   9  o 194.305 2.5997 1866.59  49.859  1855.99  72.388  1876.16  68.773  193.557 3.7890 194.645 3.5797 -1.088577      5.212554  
1 1 1 16  4   10 o 48.153  1.1660 114.475  5.5418  116.927  7.7127  111.857  7.9681  48.658  1.6059 47.589  1.6963 1.068493       2.335912  
1 1 1 16  4   11 o 255.797 3.4226 3239.83  86.415  3219.56  122.401 3259.97  122.019 254.566 4.8714 256.175 4.8256 -1.608505      6.856898  
1 1 1 16  4   12 o 30.540  2.9442 46.571   8.7650  41.273   12.343  51.962   12.449  28.485  4.5424 32.126  4.0137 -3.640467      6.061614  
1 1 1 16  4   13 o 87.312  1.4853 376.487  12.800  350.771  18.492  400.146  17.736  84.241  2.2239 89.988  1.9968 -5.747314      2.988841  
1 1 1 16  4   14 o 52.712  2.2257 137.359  11.580  129.185  16.498  145.297  16.258  50.963  3.2975 54.088  3.0578 -3.124790      4.497087  
1 1 1 16  4   15 o 128.105 1.9881 811.128  25.139  829.880  35.678  792.639  35.426  129.483 2.7916 126.538 2.8364 2.944717       3.979765  
1 1 1 16  4   16 o 46.919  1.3265 108.727  6.1431  113.935  8.5835  103.260  8.7957  48.014  1.8112 45.704  1.9497 2.309742       2.661181  
1 1 1 16  4   17 o 135.421 2.9021 908.809  38.791  893.638  40.783  1052.83  125.655 134.251 3.0777 143.017 8.9464 -8.765732      9.461023  
1 1 1 16  4   18 o 24.245  1.2279 29.110   2.9288  36.300   4.0800  21.466   4.2069  27.059  1.5339 20.726  2.0847 6.333273       2.588225  
1 1 1 16  4   19 o 82.629  1.7239 337.597  14.060  315.089  18.295  370.065  21.973  79.765  2.3237 86.410  2.5763 -6.644791      3.469461  
1 1 1 16  4   20 o 31.783  6.7933 53.271   20.665  50.469   29.171  56.094   29.280  30.772  9.0205 32.309  8.8984 -1.537600      12.67087  
1 1 1 16  4   21 o 76.048  6.1428 295.120  45.715  312.982  64.936  277.568  64.370  77.109  8.6831 72.277  9.2341 4.831818       12.67535  
1 1 1 16  4   22 o 93.374  2.3911 432.321  22.037  422.325  114.768 432.704  22.455  85.093  14.162 93.407  2.4356 -8.313385      14.37013  
1 1 1 16  5   0  o 209.657 2.8501 2175.98  58.979  2205.76  83.638  2146.53  83.183  210.767 4.0204 207.907 4.0535 2.859558       5.709149  
1 1 1 16  5   1  o 157.951 2.1640 1233.21  33.738  1224.93  46.089  1242.78  49.521  157.309 2.9683 158.418 3.1670 -1.109497      4.340629  
1 1 1 16  5   2  o 110.504 2.0826 603.453  22.715  647.708  40.363  582.942  27.480  114.334 3.5767 108.572 2.5643 5.762383       4.400897  
1 1 1 16  5   3  o 96.344  3.0010 459.289  28.538  467.868  29.653  351.605  105.061 97.232  3.0898 81.339  13.564 15.89233       13.91110  
1 1 1 16  5   4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  5   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  5   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  5   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  5   8  o 53.372  1.7164 140.692  9.0421  127.265  15.531  147.576  11.121  50.621  3.1238 54.653  2.0616 -4.032280      3.742724  
1 1 1 16  5   9  o 98.450  1.7540 478.730  17.045  454.035  24.327  502.543  23.889  95.832  2.5718 100.833 2.4002 -5.000702      3.517849  
1 1 1 16  5   10 o 37.630  1.1176 69.907   4.1510  70.841   5.8596  68.966   5.8812  37.874  1.5674 37.369  1.5945 0.5051117      2.235881  
1 1 1 16  5   11 o 135.894 2.2502 912.672  30.183  943.612  42.345  880.716  43.034  138.090 3.1067 133.389 3.2686 4.700653       4.509476  
1 1 1 16  5   12 f 113.803 1.8196 639.780  20.439  625.390  28.750  654.484  29.063  112.461 2.5900 115.050 2.5593 -2.588821      3.641230  
1 1 1 16  5   13 o 164.584 2.2108 1338.84  35.915  1356.28  50.844  1321.48  50.740  165.530 3.1119 163.387 3.1463 2.143127       4.425263  
1 1 1 16  5   14 o 103.619 1.8530 530.489  18.952  520.981  27.228  539.425  26.396  102.622 2.6881 104.434 2.5607 -1.812279      3.712569  
1 1 1 16  5   15 o 132.515 2.4626 868.560  32.210  797.533  54.210  907.319  40.046  126.687 4.3353 135.368 2.9972 -8.680458      5.270449  
1 1 1 16  5   16 o 30.248  1.0097 45.174   3.0145  44.852   4.3054  45.484   4.2221  30.134  1.4475 30.346  1.4096 -0.2122231     2.020469  
1 1 1 16  5   17 o 147.903 2.2361 1082.12  32.644  1067.53  46.874  1095.86  45.488  146.714 3.2369 148.678 3.0997 -1.963852      4.481673  
1 1 1 16  5   18 o 118.011 1.9496 688.726  22.709  684.167  31.650  693.563  32.602  117.504 2.7289 118.297 2.7921 -0.7928696     3.904215  
1 1 1 16  5   19 o 36.111  1.2178 64.413   4.3406  62.086   6.1106  66.782   6.1669  35.435  1.7471 36.753  1.7000 -1.317741      2.437668  
1 1 1 16  5   20 o 60.270  6.3174 185.995  37.023  191.742  52.189  180.174  52.529  60.102  9.0806 58.040  9.4981 2.061897       13.14038  
1 1 1 16  5   21 o 63.673  6.3049 207.674  39.104  219.621  55.591  195.974  55.016  64.334  9.0010 60.463  9.5345 3.871197       13.11200  
1 1 1 16  5   22 o 44.120  1.5732 96.255   6.8511  86.570   14.486  99.046   7.7757  41.523  3.5692 44.743  1.7607 -3.220253      3.979845  
1 1 1 16  6   0  o 67.535  1.3205 225.247  8.8024  230.306  12.236  219.822  12.672  68.267  1.8159 66.690  1.9251 1.577477       2.646432  
1 1 1 16  6   1  o 247.227 3.0392 3026.44  74.164  3082.58  109.137 2978.26  101.090 249.043 4.4398 244.890 4.1822 4.153091       6.099420  
1 1 1 16  6   2  o 111.530 1.8022 614.537  19.839  598.460  28.058  630.611  28.056  110.001 2.5843 112.923 2.5172 -2.922394      3.607563  
1 1 1 16  6   3  o 75.430  1.5404 280.997  11.469  282.614  16.665  279.543  15.807  75.617  2.2328 75.210  2.1294 0.4069366      3.085417  
1 1 1 16  6   4  o 173.762 3.5264 1495.38  60.481  1497.42  86.162  1493.40  84.916  173.563 5.0295 173.346 4.9630 0.2167053      7.065916  
1 1 1 16  6   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  6   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  6   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  6   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  6   9  o 104.711 1.9018 541.631  19.656  553.652  27.741  529.512  27.854  105.817 2.6560 103.480 2.7271 2.337883       3.806751  
1 1 1 16  6   10 o 78.037  1.8822 300.834  14.498  279.573  20.274  323.084  20.741  75.189  2.7318 80.837  2.5995 -5.647202      3.770931  
1 1 1 16  6   11 f 106.016 1.7734 555.168  18.557  586.357  26.202  523.778  26.286  108.910 2.4374 102.924 2.5875 5.986465       3.554747  
1 1 1 16  6   12 o 131.490 2.2265 854.506  28.896  863.212  41.758  846.506  40.029  132.057 3.2036 130.785 3.1009 1.271851       4.458520  
1 1 1 16  6   13 o 105.392 1.8581 548.755  19.329  550.402  27.202  547.075  27.470  105.496 2.6124 105.174 2.6461 0.3221817      3.718408  
1 1 1 16  6   14 o 127.044 2.0544 797.651  25.762  792.776  36.138  802.689  36.736  126.570 2.8926 127.355 2.9224 -0.7853012     4.111909  
1 1 1 16  6   15 o 76.214  1.8104 286.997  13.619  272.582  18.467  304.183  20.164  74.234  2.5204 78.413  2.6053 -4.178986      3.624857  
1 1 1 16  6   16 o 81.180  1.4744 325.520  11.814  296.450  16.694  354.681  16.721  77.430  2.1844 84.707  1.9999 -7.277122      2.961583  
1 1 1 16  6   17 o 100.105 1.8852 495.357  18.627  467.733  25.549  526.702  27.216  97.196  2.6632 103.139 2.6734 -5.943787      3.773534  
1 1 1 16  6   18 o 82.924  1.9177 340.014  15.696  328.326  28.919  344.895  18.689  81.288  3.6043 83.485  2.2680 -2.196800      4.258526  
1 1 1 16  6   19 o 48.924  1.5214 118.293  7.3467  117.167  10.817  119.257  10.010  48.650  2.2525 49.094  2.0657 -0.4439697     3.056297  
1 1 1 16  6   20 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  6   21 o 118.266 6.3702 712.378  74.086  754.659  104.862 670.238  104.686 119.983 8.9183 112.592 9.5088 7.390480       13.03660  
1 1 1 16  6   22 o 39.973  1.1661 78.941   4.6007  73.369   6.4376  84.757   6.5774  38.514  1.6934 41.400  1.6096 -2.885700      2.336372  
1 1 1 16  7   0  o 53.612  1.4045 141.971  7.4320  154.067  11.603  133.555  9.6781  55.820  2.1059 51.981  1.8863 3.838791       2.827189  
1 1 1 16  7   1  o 16.531  1.3550 13.587   2.1914  15.847   3.0989  11.326   3.0994  17.819  1.7860 14.983  2.1581 2.836832       2.801276  
1 1 1 16  7   2  o 122.736 1.9308 744.401  23.391  719.989  32.945  769.214  33.215  120.624 2.7671 124.688 2.6989 -4.063461      3.865324  
1 1 1 16  7   3  o 71.977  1.5676 255.875  11.137  257.038  15.712  254.701  15.788  72.112  2.2075 71.783  2.2283 0.3296356      3.136585  
1 1 1 16  7   4  o 175.775 2.7384 1528.22  47.511  1497.94  66.714  1559.39  67.676  173.827 3.8884 177.361 3.8658 -3.534134      5.483084  
1 1 1 16  7   5  o 156.928 3.8076 1220.38  58.977  1231.39  83.414  1209.38  83.398  157.313 5.3720 155.890 5.4201 1.423737       7.631259  
1 1 1 16  7   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  7   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  7   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  7   9  o 71.726  2.7164 254.404  19.231  260.219  26.094  247.491  28.452  72.389  3.6640 70.536  4.1045 1.853676       5.501939  
1 1 1 16  7   10 o 46.637  2.4362 107.809  11.175  108.935  15.732  106.663  15.877  46.782  3.4310 46.280  3.5017 0.5012856      4.902395  
1 1 1 16  7   11 o 154.913 2.4813 1186.42  37.940  1209.33  53.341  1162.95  53.976  156.274 3.4581 153.232 3.5688 3.042770       4.969389  
1 1 1 16  7   12 o 115.744 1.9399 661.885  22.163  641.440  30.940  683.429  31.762  113.879 2.7526 117.549 2.7375 -3.669632      3.882086  
1 1 1 16  7   13 o 47.023  1.6224 109.215  7.5303  107.302  8.4624  116.493  16.505  46.604  1.8396 48.371  3.4802 -1.766487      3.936479  
1 1 1 16  7   14 f 27.293  3.2974 37.425   8.7030  35.490   11.703  39.821   13.018  26.337  4.6728 27.894  4.9073 -1.556824      6.776225  
1 1 1 16  7   15 o 151.403 2.4434 1133.69  36.514  1113.56  51.637  1153.82  51.640  149.887 3.4903 152.584 3.4288 -2.697205      4.892746  
1 1 1 16  7   16 o 50.553  1.3410 126.212  6.6910  120.927  9.2572  131.993  9.6820  49.465  1.8960 51.679  1.8981 -2.213844      2.682864  
1 1 1 16  7   17 o 30.714  1.1606 46.585   3.5185  50.235   4.9250  42.781   5.0283  31.887  1.5648 29.371  1.7423 2.515844       2.341822  
1 1 1 16  7   18 o 96.762  2.1807 463.209  20.828  430.845  34.960  481.016  25.932  93.089  3.8049 98.545  2.6660 -5.456177      4.645951  
1 1 1 16  7   19 o 107.731 2.5913 575.066  27.555  679.628  96.541  565.793  28.751  114.579 8.5991 106.837 2.7264 7.742485       9.020991  
1 1 1 16  7   20 o 80.217  6.1146 327.261  48.049  339.024  68.199  315.668  67.706  80.456  8.7279 77.455  9.0255 3.000938       12.55532  
1 1 1 16  7   21 o 79.824  6.2430 325.159  48.797  338.469  68.928  311.787  69.090  80.156  8.8603 76.644  9.3250 3.512314       12.86314  
1 1 1 16  7   22 o 76.295  1.5100 287.784  11.371  291.451  14.802  282.505  17.761  76.734  1.9544 75.493  2.3836 1.241241       3.082382  
1 1 1 16  7   23 o 44.782  1.4655 99.156   6.4778  88.505   9.4251  108.691  8.9180  42.193  2.2715 46.854  1.9284 -4.660725      2.979635  
1 1 1 16  8   0  o 95.693  1.5714 452.452  14.843  462.444  21.094  442.652  20.889  96.689  2.2103 94.594  2.2373 2.094460       3.144961  
1 1 1 16  8   1  o 177.506 2.4144 1558.81  42.302  1546.15  57.596  1573.64  62.334  176.596 3.3043 178.098 3.5459 -1.501434      4.846837  
1 1 1 16  8   2  o 122.526 1.7468 741.749  21.125  763.921  30.226  720.576  29.537  124.273 2.4642 120.694 2.4794 3.578835       3.495687  
1 1 1 16  8   3  o 92.473  1.6856 422.433  15.386  400.951  21.278  445.973  22.274  90.046  2.3940 94.969  2.3762 -4.922409      3.373036  
1 1 1 16  8   4  o 131.958 2.0315 860.485  26.459  849.961  37.209  871.249  37.633  131.062 2.8764 132.694 2.8733 -1.631516      4.065621  
1 1 1 16  8   5  o 79.530  1.7000 312.427  13.345  307.333  19.275  317.116  18.494  78.841  2.4769 80.094  2.3393 -1.252937      3.406972  
1 1 1 16  8   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  8   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  8   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  8   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  8   10 o 43.486  2.4956 93.797   10.667  89.913   14.721  98.090   15.477  42.461  3.5450 44.360  3.5648 -1.898914      5.027363  
1 1 1 16  8   11 o 118.281 1.9484 691.211  22.747  702.278  32.024  679.940  32.318  119.161 2.7227 117.244 2.7927 1.917023       3.900274  
1 1 1 16  8   12 o 41.803  0.9405 86.264   3.8807  75.240   5.4634  97.489   5.5132  39.034  1.4180 44.435  1.2570 -5.400990      1.894988  
1 1 1 16  8   13 o 87.613  1.5298 379.104  13.230  367.199  18.031  392.988  19.471  86.197  2.1193 89.167  2.2124 -2.969879      3.063646  
1 1 1 16  8   14 o 133.845 2.1977 885.543  29.034  849.977  39.595  926.911  42.702  131.031 3.0615 136.818 3.1621 -5.787323      4.401271  
1 1 1 16  8   15 o 78.806  1.4581 306.729  11.341  298.468  16.033  315.002  16.045  77.706  2.0905 79.833  2.0362 -2.126595      2.918242  
1 1 1 16  8   16 o 10.685  2.0715 5.8370   2.1058  -1.9055  2.9878  13.479   2.9683  5.5049  2.5052 16.409  1.8659 -10.90444      3.123724  
1 1 1 16  8   17 o 17.052  4.7760 14.903   8.3586  13.238   12.519  16.243   11.228  17.184  5.9997 18.087  5.6602 -0.9025555     8.248301  
1 1 1 16  8   18 o 41.355  1.0570 84.451   4.3147  82.325   5.4142  88.150   7.1425  40.824  1.3437 42.231  1.7135 -1.407257      2.177499  
1 1 1 16  8   19 o 93.309  2.1860 430.902  20.133  429.610  34.075  431.595  24.955  92.922  3.7152 93.314  2.7094 -0.3914337     4.598173  
1 1 1 16  8   20 o 137.763 6.5006 963.163  88.394  935.554  124.793 990.964  125.225 133.395 9.5410 137.531 9.2791 -4.134995      13.30906  
1 1 1 16  8   21 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  8   22 o 27.709  1.3025 37.943   3.5624  42.642   17.332  37.736   3.6401  28.423  6.3391 27.633  1.3346 0.7906361      6.478066  
1 1 1 16  8   23 o 80.348  1.7912 319.487  14.206  324.257  20.568  315.137  19.644  80.827  2.5781 79.696  2.4972 1.130852       3.589243  
1 1 1 16  9   0  o 15.649  4.6877 12.352   7.8097  11.955   8.9862  13.576   15.788  15.694  5.0818 18.223  6.6924 -2.529136      8.403117  
1 1 1 16  9   1  o 107.275 1.6905 568.695  17.900  551.407  24.780  587.562  25.886  105.563 2.3782 108.966 2.4068 -3.402336      3.383580  
1 1 1 16  9   2  o 111.070 1.7960 609.652  19.689  610.067  27.261  609.200  28.467  111.040 2.4873 110.948 2.5995 0.9203339E-01  3.597815  
1 1 1 16  9   3  o 44.183  1.2932 96.401   5.6395  77.405   10.312  104.506  6.7360  39.462  2.6632 45.998  1.4836 -6.536404      3.048547  
1 1 1 16  9   4  o 82.820  1.6132 338.818  13.187  357.516  18.366  318.922  18.946  85.042  2.1880 80.308  2.3901 4.734100       3.240412  
1 1 1 16  9   5  o 42.324  1.2004 88.445   5.0146  90.772   7.1862  86.238   7.0008  42.867  1.6984 41.782  1.6975 1.084347       2.401305  
1 1 1 16  9   6  o 48.860  1.4565 117.893  7.0241  117.408  10.002  118.365  9.8665  48.742  2.0790 48.942  2.0424 -0.1992798     2.914411  
1 1 1 16  9   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  9   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  9   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  9   10 f 70.720  1.8892 247.083  13.187  0.0000   0.0000  247.083  13.187  ?       ?      70.720  1.8892 0.000000       1.889233  
1 1 1 16  9   11 o 55.623  1.3766 152.776  7.5576  138.852  10.630  167.011  10.748  53.009  2.0315 58.142  1.8728 -5.132717      2.763057  
1 1 1 16  9   12 o 68.110  1.6581 229.137  11.147  214.335  14.237  252.589  17.920  65.852  2.1903 71.469  2.5403 -5.617035      3.354178  
1 1 1 16  9   13 o 128.650 2.1272 818.019  27.012  804.860  38.052  831.386  38.351  127.516 3.0233 129.603 2.9980 -2.087502      4.257732  
1 1 1 16  9   14 o 159.717 2.3263 1261.29  36.674  1209.36  51.201  1316.01  52.555  156.243 3.3201 162.997 3.2666 -6.753891      4.657636  
1 1 1 16  9   15 f 34.652  1.4461 59.305   4.9462  45.298   11.538  62.459   5.4747  29.946  4.0037 35.559  1.5598 -5.612747      4.296826  
1 1 1 16  9   16 o 229.125 3.1686 2601.55  71.660  2563.33  101.504 2639.53  101.182 226.950 4.5312 230.333 4.4506 -3.382339      6.351347  
1 1 1 16  9   17 o 63.412  2.0477 198.829  12.816  194.948  17.682  203.124  18.603  62.733  2.8557 64.028  2.9436 -1.294498      4.101151  
1 1 1 16  9   18 f 146.810 2.4240 1066.94  35.126  1029.86  49.043  1105.99  50.334  144.013 3.4502 149.249 3.4167 -5.236328      4.855693  
1 1 1 16  9   19 o 128.150 2.8692 814.463  36.293  851.746  52.884  781.271  49.897  130.719 4.0988 125.213 4.0373 5.506226       5.753248  
1 1 1 16  9   20 o 107.136 6.2865 583.443  66.187  582.067  93.649  584.816  93.556  105.367 9.0937 105.639 9.0602 -0.2719193     12.83678  
1 1 1 16  9   21 o 22.064  6.0444 25.470   13.552  20.767   16.835  34.127   22.842  20.706  6.9657 25.707  8.0780 -5.000689      10.66656  
1 1 1 16  9   22 o 34.240  3.2961 58.879   11.002  55.491   16.968  61.337   14.451  32.745  5.4408 34.747  4.3057 -2.002247      6.938423  
1 1 1 16  9   23 o 97.716  1.7226 472.443  16.615  471.118  23.514  473.763  23.480  97.453  2.4445 97.728  2.4341 -0.2752533     3.449733  
1 1 1 16  10  0  o 63.585  1.4772 199.779  9.2711  191.911  13.386  207.034  12.853  62.275  2.1777 64.695  2.0128 -2.419773      2.965434  
1 1 1 16  10  1  o 42.297  2.4212 88.847   10.066  89.524   10.291  73.882   48.391  42.453  2.4666 37.329  11.762 5.123520       12.01777  
1 1 1 16  10  2  o 45.923  1.4439 104.179  6.5448  117.512  11.680  98.075   7.9020  48.730  2.4283 44.545  1.7972 4.184525       3.021051  
1 1 1 16  10  3  o 32.995  1.3321 53.767   4.3382  54.505   4.9029  51.107   9.3115  33.217  1.4954 31.983  2.9841 1.234562       3.337851  
1 1 1 16  10  4  o 81.429  1.6704 327.586  13.425  363.923  20.788  301.587  17.584  85.773  2.4555 78.094  2.2812 7.678299       3.351605  
1 1 1 16  10  5  o 162.461 2.4808 1305.45  39.781  1371.15  59.473  1252.25  53.514  166.292 3.6234 158.962 3.4107 7.330719       4.976112  
1 1 1 16  10  6  o 105.370 2.0684 548.737  21.513  602.223  38.645  524.721  25.896  110.231 3.5519 103.000 2.5472 7.231148       4.370821  
1 1 1 16  10  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  10  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  10  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  10  10 o 17.398  5.2105 15.216   9.6494  15.720   12.754  14.543   14.757  18.228  6.0622 18.321  6.5038 -0.9288788E-01 8.890946  
1 1 1 16  10  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  10  12 o 111.744 1.9714 617.033  21.744  615.502  30.504  618.614  31.003  111.536 2.7708 111.814 2.8091 -0.2777328     3.945711  
1 1 1 16  10  13 o 24.640  4.4875 31.095   10.512  36.495   14.872  25.704   14.860  26.532  5.8374 22.395  6.4019 4.137323       8.663654  
1 1 1 16  10  14 o 114.508 2.0338 648.070  22.986  667.466  32.667  629.050  32.350  116.125 2.8501 112.727 2.9075 3.398033       4.071393  
1 1 1 16  10  15 o 95.414  1.9550 449.962  18.412  440.956  25.884  459.186  26.195  94.383  2.7784 96.317  2.7554 -1.933578      3.913068  
1 1 1 16  10  16 o 150.420 2.3710 1119.33  35.203  1109.29  50.061  1129.15  49.512  149.557 3.3912 150.904 3.3241 -1.347534      4.748706  
1 1 1 16  10  17 o 131.577 2.1681 856.306  28.158  845.422  39.705  867.318  39.938  130.590 3.0804 132.274 3.0590 -1.684372      4.341193  
1 1 1 16  10  18 o 112.967 2.0598 631.239  22.967  637.513  32.836  625.230  32.136  113.396 2.9337 112.304 2.8991 1.091743       4.124504  
1 1 1 16  10  19 o 71.336  6.2071 258.850  43.269  253.505  60.798  264.335  61.593  69.442  9.0884 70.974  8.9941 -1.532120      12.78646  
1 1 1 16  10  20 o 44.602  7.4173 104.295  31.507  102.162  38.542  108.591  54.701  43.498  9.2612 43.947  12.186 -0.4495926     15.30554  
1 1 1 16  10  21 o 52.732  1.4327 137.446  7.4572  159.161  10.697  116.917  10.401  56.711  1.9111 48.586  2.1688 8.124523       2.890697  
1 1 1 16  10  22 o 53.128  3.1130 140.860  16.253  132.529  21.949  150.974  24.184  51.246  4.3814 54.681  4.5214 -3.435638      6.296034  
1 1 1 16  10  23 o 46.001  2.7125 105.469  12.261  96.263   18.846  112.227  16.146  43.574  4.4440 47.311  3.4821 -3.737053      5.645743  
1 1 1 16  11  0  o 15.867  3.4614 12.998   5.2685  17.186   8.0452  9.8537   6.9713  18.194  4.5040 14.142  4.4652 4.052222       6.342279  
1 1 1 16  11  1  o 43.433  1.7314 93.258   7.4225  101.049  10.963  86.664   10.086  45.103  2.4720 41.761  2.4576 3.342178       3.485807  
1 1 1 16  11  2  o 109.193 1.7275 589.359  18.618  603.416  26.410  575.470  26.252  110.404 2.4235 107.811 2.4670 2.592911       3.458250  
1 1 1 16  11  3  o 42.049  1.1692 87.315   4.8528  104.503  6.8755  70.253   6.8503  45.991  1.5146 37.699  1.8410 8.292423       2.383934  
1 1 1 16  11  4  o 70.179  1.7407 243.382  12.058  244.400  17.973  242.549  16.260  70.269  2.5913 70.021  2.3527 0.2487869      3.499983  
1 1 1 16  11  5  o 103.945 1.7904 533.916  18.369  502.229  26.057  565.222  25.900  100.740 2.6206 106.889 2.4549 -6.149223      3.590808  
1 1 1 16  11  6  o 79.822  1.8065 314.836  14.233  331.602  22.989  304.415  18.124  81.846  2.8457 78.457  2.3404 3.388229       3.684460  
1 1 1 16  11  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  11  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  11  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  11  10 o 114.887 2.0037 652.290  22.721  656.981  31.680  647.321  32.605  115.226 2.7855 114.365 2.8884 0.8615494      4.012738  
1 1 1 16  11  11 o 68.992  1.9583 235.220  13.336  228.157  18.675  242.570  19.049  67.902  2.7864 70.016  2.7564 -2.113853      3.919443  
1 1 1 16  11  12 o 102.407 3.8443 520.261  38.858  520.261  38.858  0.0000   0.0000  102.407 3.8443 ?       ?      0.000000       3.844279  
1 1 1 16  11  13 o 130.282 2.1988 839.154  28.276  835.184  39.649  843.263  40.335  129.861 3.0933 130.482 3.1319 -0.6208344     4.401899  
1 1 1 16  11  14 o 59.945  1.4348 177.484  8.4894  183.722  11.891  170.998  12.124  60.968  1.9759 58.814  2.0885 2.154182       2.875132  
1 1 1 16  11  15 o 137.842 2.2418 939.664  30.501  946.505  41.853  931.915  44.542  138.218 3.0678 137.108 3.2914 1.109726       4.499406  
1 1 1 16  11  16 o 17.381  1.3318 15.009   2.2675  17.586   3.3212  12.759   3.1032  18.776  1.8147 15.938  2.0179 2.838139       2.713871  
1 1 1 16  11  17 o 67.333  1.3627 223.955  9.0568  230.623  13.465  218.446  12.239  68.292  1.9975 66.473  1.8655 1.818916       2.733125  
1 1 1 16  11  18 o 81.051  1.8215 324.811  14.572  316.819  19.213  335.633  22.359  79.990  2.4335 82.293  2.7527 -2.302696      3.674131  
1 1 1 16  11  19 o 36.359  11.466 71.015   45.981  71.015   45.981  0.0000   0.0000  36.359  11.466 ?       ?      0.000000       11.46628  
1 1 1 16  11  20 o 46.767  6.4518 113.033  28.989  111.067  40.989  115.001  41.005  45.274  9.4765 46.146  9.3234 -0.8722038     13.29393  
1 1 1 16  11  21 o 99.947  1.7404 494.166  17.169  518.285  24.284  470.060  24.277  102.246 2.4062 97.351  2.5265 4.895592       3.489017  
1 1 1 16  11  22 o 109.688 2.3793 596.574  25.760  614.154  42.433  586.314  32.417  110.862 3.8779 108.583 3.0247 2.278214       4.917981  
1 1 1 16  11  23 o 59.067  2.4272 173.100  14.151  198.972  22.363  155.824  18.275  63.026  3.6098 55.815  3.3324 7.211208       4.912785  
1 1 1 16  11  24 o 22.485  7.0869 26.155   17.567  22.667   24.433  29.886   25.275  22.566  8.3197 24.570  8.5278 -2.003908      11.91393  
1 1 1 16  12  0  f 69.951  1.7871 241.979  12.339  229.078  20.352  249.477  15.515  67.930  3.0353 70.987  2.2144 -3.057671      3.757223  
1 1 1 16  12  1  o 74.224  1.5711 272.307  11.510  254.494  16.014  291.344  16.555  71.696  2.2629 76.719  2.1862 -5.023392      3.146466  
1 1 1 16  12  2  o 26.728  2.4689 35.681   6.4398  34.573   9.1812  36.755   9.0350  26.116  3.6624 26.976  3.4739 -0.8602066     5.047895  
1 1 1 16  12  3  o 26.391  2.9748 34.972   7.6140  28.351   12.183  39.216   9.7534  23.328  5.3981 27.858  3.6336 -4.530865      6.507133  
1 1 1 16  12  4  o 6.6999  2.3310 1.9782   1.8889  1.9800   1.9288  1.9353   9.3321  6.7319  2.3547 11.842  4.8984 -5.110590      5.435013  
1 1 1 16  12  5  o 52.665  1.5188 137.030  7.8953  140.047  12.969  135.253  9.9521  53.196  2.4699 52.306  1.9277 0.8899498      3.133121  
1 1 1 16  12  6  o 136.091 2.4447 916.376  32.839  884.001  56.958  932.495  40.191  133.303 4.3289 137.200 2.9678 -3.897400      5.248592  
1 1 1 16  12  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  12  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  12  9  o 58.577  3.0358 170.385  17.492  188.193  23.299  147.381  26.480  61.459  3.8604 54.165  5.0097 7.293736       6.324546  
1 1 1 16  12  10 o 100.243 1.8481 496.554  18.286  477.992  25.877  515.067  25.844  98.283  2.6675 102.034 2.5662 -3.750580      3.701449  
1 1 1 16  12  11 o 113.898 1.9832 641.179  22.295  669.465  31.469  612.669  31.592  116.304 2.7413 111.246 2.8772 5.058807       3.973987  
1 1 1 16  12  12 o 64.828  2.0372 207.744  13.035  201.882  18.382  213.674  18.488  63.854  2.9165 65.697  2.8511 -1.843201      4.078619  
1 1 1 16  12  13 f 93.326  2.7524 431.146  25.354  431.146  25.354  0.0000   0.0000  93.326  2.7524 ?       ?      0.000000       2.752407  
1 1 1 16  12  14 o 56.524  2.3393 158.038  13.051  144.222  18.211  172.628  18.714  53.816  3.4465 58.927  3.2299 -5.110928      4.723406  
1 1 1 16  12  15 o 111.356 2.0813 613.166  22.877  597.783  32.115  629.014  32.596  109.841 2.9621 112.679 2.9308 -2.837395      4.166981  
1 1 1 16  12  16 o 50.819  2.2835 127.777  11.454  131.743  16.063  123.674  16.337  51.444  3.1791 49.814  3.3421 1.629578       4.612586  
1 1 1 16  12  17 o 84.092  1.9485 349.695  16.173  345.946  21.955  354.143  23.915  83.566  2.6617 84.525  2.8665 -0.9587021     3.911719  
1 1 1 16  12  18 o 85.037  1.6545 357.462  13.887  385.453  19.655  329.556  19.624  88.242  2.2566 81.573  2.4374 6.669281       3.321604  
1 1 1 16  12  19 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  12  20 o 20.849  6.6977 21.772   15.633  16.690   21.782  27.170   22.450  20.639  7.8049 23.621  8.0435 -2.981646      11.20773  
1 1 1 16  12  21 o 72.612  2.2348 261.272  16.017  275.733  24.510  250.492  21.161  74.409  3.3372 70.980  3.0205 3.429626       4.501102  
1 1 1 16  12  22 o 19.464  1.9362 18.941   3.6704  32.319   15.638  18.161   3.7759  24.701  6.3720 19.041  2.0409 5.659782       6.690839  
1 1 1 16  12  23 o 31.773  1.2875 49.900   4.0377  91.147   46.286  49.583   4.0531  39.981  11.253 31.672  1.2965 8.309433       11.32770  
1 1 1 16  12  24 o 54.674  7.7783 159.383  40.792  154.166  49.605  170.281  71.692  52.592  9.9196 52.812  13.653 -0.2196732     16.87610  
1 1 1 16  13  0  o 23.151  3.4116 27.223   7.5621  32.179   11.689  23.655   9.9173  24.907  4.9291 21.309  4.8271 3.597631       6.899031  
1 1 1 16  13  1  o 56.658  1.9219 158.811  10.748  152.350  18.066  162.351  13.372  55.261  3.3278 57.250  2.3663 -1.988853      4.083314  
1 1 1 16  13  2  o 109.987 1.7662 598.219  19.175  628.599  28.065  571.621  26.259  112.627 2.5245 107.410 2.4769 5.217400       3.536698  
1 1 1 16  13  3  o 78.600  2.1658 305.774  16.802  232.794  62.295  311.500  17.449  66.151  9.8405 79.326  2.2286 -13.17518      10.08970  
1 1 1 16  13  4  o 18.946  0.9856 17.773   1.8368  19.944   2.6269  15.696   2.5693  20.048  1.3351 17.761  1.4790 2.287046       1.992529  
1 1 1 16  13  5  o 65.188  1.6795 210.032  10.806  206.527  15.329  213.494  15.236  64.591  2.4044 65.675  2.3503 -1.084770      3.362305  
1 1 1 16  13  6  o 58.725  2.1161 170.574  12.266  196.117  22.483  159.749  14.636  62.729  3.6469 56.799  2.6106 5.930115       4.485017  
1 1 1 16  13  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  13  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  13  9  o 80.337  1.9428 319.040  15.406  338.866  21.748  299.071  21.826  82.737  2.6631 77.710  2.8456 5.026543       3.897357  
1 1 1 16  13  10 o 102.439 1.9024 518.689  19.236  516.518  26.246  521.208  28.273  102.156 2.6030 102.597 2.7920 -0.4405670     3.817140  
1 1 1 16  13  11 o 109.202 1.9810 589.508  21.353  570.300  29.564  610.454  30.873  107.320 2.7910 111.030 2.8171 -3.710396      3.965563  
1 1 1 16  13  12 o 59.537  1.1291 175.031  6.6350  181.849  9.3829  168.213  9.3836  60.670  1.5669 58.348  1.6293 2.321625       2.260474  
1 1 1 16  13  13 o 177.398 2.9110 1558.97  50.971  1559.67  74.510  1558.35  69.882  177.057 4.2635 177.068 3.9984 -0.1058960E-01 5.845067  
1 1 1 16  13  14 o 84.824  2.8185 356.407  23.598  356.407  23.598  0.0000   0.0000  84.824  2.8185 ?       ?      0.000000       2.818530  
1 1 1 16  13  15 o 108.416 2.0454 581.281  21.888  595.060  31.168  567.872  30.745  109.582 2.8816 107.045 2.9099 2.536926       4.095258  
1 1 1 16  13  16 o 29.578  1.1661 43.208   3.4046  51.768   4.9512  35.531   4.6890  32.367  1.5498 26.750  1.7862 5.617130       2.364830  
1 1 1 16  13  17 o 120.634 2.2025 720.229  26.225  750.517  37.474  691.158  36.714  122.978 3.0872 118.001 3.1522 4.977196       4.412156  
1 1 1 16  13  18 f 142.231 6.4990 1025.62  91.238  992.046  128.849 1059.40  129.212 137.510 9.5525 142.384 9.2441 -4.874161      13.29303  
1 1 1 16  13  19 o 19.420  6.7755 17.397   15.965  17.053   19.261  18.150   28.538  20.112  7.3910 22.684  8.8411 -2.572319      11.52352  
1 1 1 16  13  20 o 68.543  1.6460 232.359  11.136  239.335  16.317  226.277  15.237  69.483  2.3791 67.573  2.2845 1.910286       3.298343  
1 1 1 16  13  21 o 98.913  1.8692 484.297  18.249  508.548  25.824  460.107  25.791  101.222 2.5847 96.252  2.7147 4.969757       3.748421  
1 1 1 16  13  22 o 76.700  2.1922 291.593  16.596  297.650  25.585  287.192  21.807  77.269  3.3547 75.994  2.9072 1.274223       4.439116  
1 1 1 16  13  23 o 33.314  5.3166 57.562   16.895  38.993   28.713  67.394   20.894  27.373  9.0956 35.852  6.1244 -8.478428      10.96530  
1 1 1 16  13  24 o 55.896  6.6400 163.587  35.918  183.271  50.930  144.110  50.661  57.757  9.2457 50.335  10.535 7.421352       14.01676  
1 1 1 16  14  0  o 66.494  1.7131 218.711  11.243  224.942  16.038  212.689  15.767  67.359  2.4122 65.495  2.4389 1.863556       3.430314  
1 1 1 16  14  1  o 124.786 1.8643 770.410  22.963  767.315  32.526  773.487  32.423  124.376 2.6495 124.880 2.6304 -0.5037308     3.733459  
1 1 1 16  14  2  o 42.610  2.1541 90.117   9.0301  101.026  12.985  79.900   12.566  45.017  2.9386 39.969  3.2124 5.047821       4.353673  
1 1 1 16  14  3  o 86.698  1.6574 371.646  14.183  401.296  21.010  346.820  19.224  90.005  2.3650 83.678  2.3276 6.326859       3.318247  
1 1 1 16  14  4  o 14.143  1.4142 9.9829   1.9477  0.0000   0.0000  9.9829   1.9477  ?       ?      14.143  1.4142 0.000000       1.414188  
1 1 1 16  14  5  o 46.080  1.9002 105.024  8.6427  112.845  12.312  97.428   12.135  47.645  2.6283 44.239  2.7934 3.406254       3.835490  
1 1 1 16  14  6  o 18.624  1.5955 17.268   2.9046  17.268   2.9046  0.0000   0.0000  18.624  1.5955 ?       ?      0.000000       1.595501  
1 1 1 16  14  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  14  8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  14  9  o 102.190 2.0143 516.411  20.317  499.668  27.719  535.848  29.865  100.425 2.7964 103.981 2.9099 -3.555557      4.035782  
1 1 1 16  14  10 o 50.735  1.3883 127.154  6.9524  137.235  9.8705  117.228  9.7942  52.686  1.8981 48.688  2.0380 3.998264       2.784996  
1 1 1 16  14  11 o 104.182 1.9310 536.634  19.856  516.100  26.699  562.049  29.703  102.088 2.6496 106.510 2.8254 -4.422646      3.873418  
1 1 1 16  14  12 o 88.971  1.9703 391.404  17.302  389.968  24.364  392.865  24.576  88.723  2.7821 89.050  2.7961 -0.3272400     3.944387  
1 1 1 16  14  13 o 87.677  1.8901 380.061  16.357  376.658  22.148  384.144  24.261  87.216  2.5728 88.053  2.7914 -0.8364105     3.796246  
1 1 1 16  14  14 o 55.050  1.7326 149.796  9.4144  155.516  18.150  147.690  11.012  55.879  3.3055 54.645  2.0416 1.234230       3.885117  
1 1 1 16  14  15 o 50.211  2.6623 125.259  13.147  112.760  20.520  133.963  17.124  47.341  4.4436 51.831  3.3653 -4.490448      5.574118  
1 1 1 16  14  16 o 12.699  5.4290 -0.1940  12.078  -4.6029  19.485  2.5575   15.393  15.214  6.6952 14.965  6.2487 0.2494640      9.158147  
1 1 1 16  14  17 o 40.899  2.7908 83.347   11.199  86.560   17.339  81.047   14.669  41.418  4.3043 40.174  3.7424 1.243965       5.703732  
1 1 1 16  14  18 o 77.843  7.2087 312.382  54.758  309.330  66.961  318.543  95.141  76.550  9.0365 75.008  13.339 1.541466       16.11207  
1 1 1 16  14  19 o 119.447 6.4362 728.694  75.602  722.666  106.665 734.779  107.172 116.824 9.3281 117.836 9.2898 -1.012306      13.16486  
1 1 1 16  14  20 o 31.864  1.2274 50.170   3.8603  43.260   5.5740  56.540   5.3514  29.498  1.9249 33.811  1.6035 -4.312223      2.505340  
1 1 1 16  14  21 o 42.514  2.8855 90.277   12.037  91.785   19.181  89.296   15.460  42.475  4.6511 42.108  3.7593 0.3665314      5.980394  
1 1 1 16  14  22 o 79.302  1.8522 311.382  14.498  325.136  21.022  298.908  20.021  80.900  2.6326 77.572  2.6148 3.328239       3.710497  
1 1 1 16  14  23 o 36.524  0.9648 65.898   3.4781  70.200   5.0089  61.894   4.8333  37.680  1.3468 35.379  1.3841 2.301094       1.931211  
1 1 1 16  15  1  o 99.897  13.787 574.605  132.323 574.605  132.323 0.0000   0.0000  99.897  13.787 ?       ?      0.000000       13.78727  
1 1 1 16  15  2  o 106.251 1.8215 558.547  19.103  544.973  26.627  572.942  27.421  104.821 2.5736 107.475 2.5849 -2.653717      3.647679  
1 1 1 16  15  3  o 24.471  2.9910 30.178   7.0738  30.824   10.477  29.637   9.5895  24.440  4.5092 24.016  4.1983 0.4246273      6.161084  
1 1 1 16  15  4  o 63.014  1.6403 196.337  10.202  184.688  14.056  209.308  14.832  61.057  2.3323 65.001  2.3117 -3.944420      3.283888  
1 1 1 16  15  5  o 57.201  8.8669 173.533  48.442  0.0000   0.0000  173.533  48.442  ?       ?      57.201  8.8669 0.000000       8.866921  
1 1 1 16  15  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  15  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  15  8  o 41.109  4.6678 85.549   18.604  85.549   18.604  0.0000   0.0000  41.109  4.6678 ?       ?      0.000000       4.667839  
1 1 1 16  15  9  o 28.141  1.1705 39.114   3.2513  35.879   4.5957  42.355   4.6003  26.883  1.7413 29.230  1.6006 -2.346590      2.365171  
1 1 1 16  15  10 o 73.101  2.4889 264.658  17.958  242.381  31.263  275.629  21.939  69.519  4.5818 74.544  2.9817 -5.024559      5.466548  
1 1 1 16  15  11 o 42.350  1.2885 88.595   5.3860  88.113   7.6727  89.063   7.5624  42.214  1.8415 42.442  1.8052 -0.2286453     2.578717  
1 1 1 16  15  12 o 123.210 2.2221 751.299  27.023  774.325  39.661  731.345  36.919  124.893 3.2173 121.406 3.0809 3.486153       4.454556  
1 1 1 16  15  13 o 137.645 2.2929 937.880  31.152  975.280  45.465  904.782  42.770  140.139 3.2869 134.998 3.2098 5.140457       4.594128  
1 1 1 16  15  14 o 85.490  1.6353 361.269  13.799  378.083  18.375  339.527  20.896  87.408  2.1299 82.782  2.5574 4.626190       3.328119  
1 1 1 16  15  15 o 37.241  1.2704 68.514   4.6696  69.602   6.8012  67.544   6.4226  37.514  1.8368 36.959  1.7606 0.5553780      2.544292  
1 1 1 16  15  16 o 69.594  1.6224 239.450  11.144  251.798  15.949  227.669  15.578  71.306  2.2661 67.797  2.3279 3.508919       3.248757  
1 1 1 16  15  17 o 98.603  3.6500 484.454  35.524  470.352  39.123  550.682  84.785  97.041  4.0846 102.729 8.4362 -5.687775      9.372976  
1 1 1 16  15  18 o 63.482  6.2103 206.642  38.415  217.367  54.251  195.856  54.403  63.956  8.8294 60.358  9.4412 3.598389       12.92650  
1 1 1 16  15  19 o 33.985  1.3892 57.093   4.6600  61.121   6.7831  53.492   6.4130  35.080  1.9669 32.808  1.9898 2.271931       2.797877  
1 1 1 16  15  20 o 42.507  3.6917 90.925   15.335  106.530  20.686  71.887   22.848  45.795  4.6405 36.981  6.4965 8.813976       7.983709  
1 1 1 16  15  21 o 51.907  1.6667 133.324  8.5393  132.989  11.824  133.689  12.345  51.779  2.3136 51.904  2.4097 -0.1249390     3.340601  
1 1 1 16  15  22 o 27.719  4.6420 39.726   12.251  56.766   20.724  30.571   15.190  32.655  6.6553 23.974  6.3269 8.680916       9.182777  
1 1 1 16  15  23 o 60.036  2.9110 179.554  17.250  176.645  23.105  183.217  25.928  59.183  3.9784 60.137  4.3986 -0.9542122     5.930888  
1 1 1 16  16  3  o 29.376  3.1836 43.427   9.0830  67.167   15.674  31.424   11.145  36.341  4.4635 24.610  4.7603 11.73089       6.525592  
1 1 1 16  16  4  o 135.666 1.9863 911.102  26.599  894.685  38.117  926.684  37.135  134.215 2.8773 136.631 2.7536 -2.415543      3.982590  
1 1 1 16  16  5  o 69.520  1.5413 238.947  10.576  230.940  13.263  252.928  17.526  68.307  1.9672 71.423  2.4861 -3.115944      3.170275  
1 1 1 16  16  6  o 42.303  11.978 100.845  52.280  0.0000   0.0000  100.845  52.280  ?       ?      42.303  11.978 0.000000       11.97827  
1 1 1 16  16  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  16  8  o 97.647  2.0939 472.030  20.182  507.024  30.286  444.080  27.067  101.030 3.0371 94.578  2.8995 6.451645       4.198924  
1 1 1 16  16  9  o 76.438  2.2126 289.325  16.694  363.167  40.229  273.965  18.348  84.976  4.8162 74.347  2.5003 10.62929       5.426494  
1 1 1 16  16  10 o 64.459  1.8758 205.540  11.934  195.928  14.832  223.193  20.099  62.887  2.3895 67.041  3.0374 -4.153824      3.864609  
1 1 1 16  16  11 o 38.408  3.4497 73.956   12.938  73.713   19.760  74.139   17.118  37.913  5.4359 38.219  4.6325 -0.3055458     7.142070  
1 1 1 16  16  12 o 150.650 2.4034 1124.38  35.738  1112.24  50.997  1136.10  50.096  149.528 3.4553 151.157 3.3577 -1.628906      4.818041  
1 1 1 16  16  13 o 81.326  2.2957 327.573  18.428  331.166  21.129  316.158  37.666  81.727  2.6193 79.272  4.8370 2.454506       5.500684  
1 1 1 16  16  14 o 121.163 2.2025 726.956  26.340  780.745  38.881  681.330  35.810  125.347 3.1426 117.106 3.0981 8.240799       4.412953  
1 1 1 16  16  15 o 52.354  1.3202 135.443  6.8220  151.819  9.9587  120.963  9.3644  55.397  1.8213 49.442  1.9189 5.955437       2.645605  
1 1 1 16  16  16 o 37.175  1.8782 68.560   6.8692  0.0000   0.0000  68.560   6.8692  ?       ?      37.175  1.8782 0.000000       1.878176  
1 1 1 16  16  17 f 79.600  6.1603 324.072  48.023  274.939  67.837  373.433  67.995  71.341  9.9005 84.337  8.2747 -12.99580      12.90311  
1 1 1 16  16  18 o 63.106  6.1117 204.580  37.592  184.657  53.045  224.682  53.281  58.331  9.5432 65.024  8.5056 -6.692482      12.78347  
1 1 1 16  16  19 o 64.143  2.1823 203.941  13.816  194.232  16.075  231.397  27.031  62.540  2.6041 67.847  4.0551 -5.306866      4.819201  
1 1 1 16  16  20 o 49.897  1.4073 123.109  6.9309  127.280  9.8879  119.079  9.7180  50.688  1.9763 49.025  2.0083 1.663185       2.817645  
1 1 1 16  16  21 o 84.567  2.1867 354.664  18.253  353.042  21.941  358.310  32.892  84.281  2.6375 84.541  3.9417 -0.2603836     4.742755  
1 1 1 16  16  22 o 34.102  1.4061 57.517   4.7328  62.725   6.7659  52.526   6.6227  35.526  1.9368 32.482  2.0765 3.043659       2.839598  
1 1 1 16  16  23 o 47.152  1.3331 109.960  6.2042  120.705  7.6725  89.659   10.546  49.382  1.5741 42.386  2.5323 6.995747       2.981661  
1 1 1 16  17  4  o 108.330 1.8990 580.987  20.306  601.430  30.859  565.376  26.966  110.005 2.8421 106.728 2.5598 3.277473       3.824902  
1 1 1 16  17  5  o 81.849  1.7473 331.457  14.116  331.797  19.672  331.097  20.267  81.793  2.4367 81.693  2.5135 0.9918976E-01  3.500688  
1 1 1 16  17  6  o 57.204  6.1596 168.171  34.230  175.925  48.910  160.727  47.924  57.337  8.9334 54.622  9.2169 2.714466       12.83577  
1 1 1 16  17  7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 16  17  8  o 44.376  3.0385 98.348   13.229  103.340  20.738  94.924   17.177  45.126  4.7261 43.391  4.0578 1.735729       6.229084  
1 1 1 16  17  9  o 79.076  2.2167 309.792  17.302  296.280  25.888  320.699  23.259  77.131  3.4004 80.339  2.9332 -3.208488      4.490694  
1 1 1 16  17  10 o 54.599  1.4826 147.372  7.9898  165.614  11.450  130.057  11.155  57.838  2.0056 51.238  2.2057 6.600391       2.981161  
1 1 1 16  17  11 o 74.772  2.2985 277.048  16.963  318.130  26.279  247.704  22.210  79.944  3.3304 70.568  3.1887 9.376595       4.610745  
1 1 1 16  17  12 o 15.693  1.2983 12.252   1.9929  13.051   2.8933  11.531   2.7490  16.136  1.8501 15.150  1.8787 0.9856205      2.636733  
1 1 1 16  17  13 o 172.665 2.7906 1480.36  47.560  1535.35  67.966  1427.60  66.574  175.320 3.9276 169.023 3.9905 6.296890       5.599145  
1 1 1 16  17  14 o 38.736  3.7511 75.565   14.162  91.854   22.147  64.296   18.421  42.323  5.4266 35.289  5.4654 7.033897       7.701860  
1 1 1 16  17  15 o 33.118  1.4871 54.229   4.8610  57.230   5.2142  34.300   13.437  34.019  1.5528 25.580  5.4863 8.439301       5.701864  
1 1 1 16  17  16 o 32.630  6.5207 56.228   20.267  59.449   28.887  53.105   28.440  33.036  8.7283 31.285  8.8265 1.750816       12.41330  
1 1 1 16  17  17 o 72.386  6.1812 269.277  43.740  265.030  61.930  273.505  61.785  70.208  9.1547 71.456  8.9570 -1.248039      12.80764  
1 1 1 16  17  18 o 2.7370  1.3784 -5.4010  1.7073  -1.0259  11.184  -5.5054  1.7276  11.944  5.1665 2.7451  1.3830 9.199276       5.348423  
1 1 1 16  17  19 o 17.033  2.0098 14.574   3.3140  14.659   4.7500  14.493   4.6258  16.922  2.9512 16.836  2.8876 0.8611107E-01  4.128947  
1 1 1 16  17  20 o 45.085  1.4264 100.526  6.3477  107.815  9.0565  93.488   8.8994  46.646  1.9670 43.426  2.0762 3.219555       2.860066  
1 1 1 16  17  21 o 65.509  2.5652 213.329  16.586  215.592  24.720  211.477  22.369  65.455  3.8430 64.931  3.5033 0.5240707      5.200164  
1 1 1 16  17  22 o 52.973  2.2134 139.297  11.573  170.685  23.231  128.935  13.347  58.101  4.0767 50.829  2.6698 7.272175       4.873090  
1 1 1 16  18  5  o 110.881 6.3116 631.833  68.791  628.996  97.600  634.632  96.973  108.248 9.2226 108.839 9.1105 -0.5911407     12.96375  
1 1 1 16  18  6  o 79.651  6.1548 325.650  48.013  332.349  68.273  319.095  67.533  78.848  8.9300 77.176  9.0366 1.672241       12.70450  
1 1 1 16  18  7  o 38.587  3.1535 74.609   11.905  73.116   19.928  75.438   14.846  37.617  5.5325 38.638  3.9482 -1.021519      6.796861  
1 1 1 16  18  8  o 135.853 2.8087 917.104  37.662  937.733  40.128  764.592  109.109 137.321 2.9606 119.754 9.3038 17.56625       9.763490  
1 1 1 16  18  9  f 55.030  2.9252 150.976  15.831  133.493  27.541  159.604  19.347  51.052  5.5553 56.466  3.4884 -5.413776      6.559729  
1 1 1 16  18  10 o 51.570  1.4690 131.499  7.4774  136.796  10.719  126.478  10.436  52.550  2.0665 50.527  2.0926 2.023098       2.940953  
1 1 1 16  18  11 o 26.613  5.2076 36.947   13.190  38.221   20.375  36.027   17.305  26.766  7.4427 26.025  6.6974 0.7404976      10.01246  
1 1 1 16  18  12 o 42.558  1.0908 89.477   4.5821  91.994   5.7811  85.226   7.5148  43.139  1.3577 41.494  1.8348 1.645081       2.282538  
1 1 1 16  18  13 o 135.340 2.3781 908.555  31.768  962.164  46.642  862.165  43.388  138.910 3.4018 131.517 3.3424 7.393188       4.769052  
1 1 1 16  18  14 o 63.954  2.4428 202.957  15.420  188.849  23.258  214.023  20.599  61.327  3.8620 65.551  3.1836 -4.224194      5.005075  
1 1 1 16  18  15 o 15.069  5.8507 7.6152   12.461  0.4319   16.765  16.480   18.625  14.956  6.3951 19.676  7.2620 -4.720058      9.676473  
1 1 1 16  18  16 o 35.645  6.4797 67.029   21.958  69.436   31.350  64.711   30.763  35.498  8.9498 34.269  8.9847 1.228622       12.68167  
1 1 1 16  18  17 o 27.073  4.2432 37.657   10.966  25.762   16.360  47.361   14.777  22.243  6.8116 30.193  5.1428 -7.950073      8.534981  
1 1 1 16  18  18 o 49.557  6.4765 128.295  30.922  128.270  44.108  128.319  43.363  48.053  9.6349 48.154  9.4608 -0.1008720     13.50320  
1 1 1 16  18  19 o 88.385  2.3022 387.735  20.084  381.409  29.003  393.562  27.840  87.380  3.3628 88.819  3.1756 -1.439140      4.625229  
1 1 1 16  18  20 f 65.869  2.1349 215.234  13.880  245.980  24.587  200.852  16.816  70.006  3.5702 63.536  2.6814 6.470284       4.464970  
1 1 1 16  18  21 o 13.495  5.1529 6.6401   9.5522  9.7539   14.786  4.4098   12.514  16.488  6.3812 14.041  5.7248 2.447553       8.572761  
1 1 1 16  18  22 o 13.796  1.3212 9.5003   1.7770  9.4992   2.6525  9.5012   2.3936  13.691  2.0238 13.728  1.8107 -0.3670311E-01 2.715541  
1 1 1 16  19  7  o 65.076  2.3245 210.157  14.931  212.366  22.379  208.385  20.045  65.101  3.4955 64.654  3.1411 0.4471359      4.699435  
1 1 1 16  19  8  o 40.210  2.9671 80.914   11.693  85.538   17.659  77.304   15.603  41.010  4.4330 39.048  4.1102 1.962463       6.045265  
1 1 1 16  19  9  f 80.103  1.8406 317.706  14.553  323.137  14.806  163.283  78.955  80.782  1.8569 51.308  14.784 29.47479       14.89971  
1 1 1 16  19  10 o 50.256  1.3312 124.859  6.6033  133.680  9.4053  116.285  9.2731  51.961  1.8338 48.453  1.9390 3.507832       2.668796  
1 1 1 16  19  11 o 18.657  5.8356 17.679   11.936  16.858   16.181  18.660   17.679  19.189  6.8106 20.092  7.1201 -0.9030476     9.852916  
1 1 1 16  19  12 o 67.334  1.7748 224.439  11.796  203.365  17.528  241.881  15.947  63.953  2.7768 69.827  2.3138 -5.873383      3.614421  
1 1 1 16  19  13 o 76.763  2.3376 292.376  17.711  304.088  25.982  282.211  24.206  78.059  3.3723 75.226  3.2601 2.832840       4.690461  
1 1 1 16  19  14 o 62.590  1.6618 193.874  10.267  209.952  11.803  143.880  20.812  65.114  1.8364 53.431  3.9748 11.68308       4.378538  
1 1 1 16  19  15 o 50.216  6.3112 131.298  30.590  101.928  43.399  160.297  43.125  42.362  10.445 54.626  8.2559 -12.26335      13.31402  
1 1 1 16  19  16 o 41.339  7.8633 92.283   30.912  68.389   55.789  102.868  37.133  35.282  12.633 43.179  9.0042 -7.897251      15.51335  
1 1 1 16  19  17 f 49.493  3.0596 122.579  14.874  121.989  20.177  123.280  22.012  49.076  4.2059 49.220  4.5835 -0.1442070     6.220829  
1 1 1 16  19  18 o 43.041  1.0757 91.544   4.5698  89.937   6.4904  93.125   6.4352  42.631  1.5424 43.384  1.5028 -0.7520790     2.153513  
1 1 1 16  19  19 o 43.157  8.6873 102.959  35.725  102.959  35.725  0.0000   0.0000  43.157  8.6873 ?       ?      0.000000       8.687256  
1 1 1 16  19  20 o 14.455  5.4555 8.0931   10.629  2.6697   17.965  11.014   13.185  15.819  6.6864 16.352  6.0952 -0.5337315     9.047594  
1 1 1 16  19  21 o 47.429  1.2892 111.271  6.0352  123.027  8.4559  99.064   8.6165  49.828  1.7193 44.686  1.9535 5.141521       2.602369  
1 1 1 16  20  9  o 84.284  1.9428 352.081  16.162  384.369  26.973  333.993  20.188  87.771  3.1134 81.977  2.4950 5.794083       3.989772  
1 1 1 16  20  10 o 21.002  1.6037 21.957   3.2992  22.004   3.3496  20.430   19.097  21.022  1.6270 20.846  7.3988 0.1760006      7.575555  
1 1 1 16  20  11 o 14.569  4.9589 10.018   8.5331  12.042   13.324  8.6109   11.111  16.794  6.1509 14.859  5.5841 1.935027       8.307621  
1 1 1 16  20  12 o 68.161  1.3500 229.743  9.0828  199.210  14.868  247.922  11.472  63.338  2.3783 70.773  1.6423 -7.434933      2.890205  
1 1 1 16  20  13 o 29.441  1.4469 42.877   4.2045  44.250   4.4036  28.720   14.144  29.907  1.4918 23.229  6.0932 6.678143       6.273129  
1 1 1 16  20  14 o 46.958  7.4561 117.871  33.403  125.806  58.607  114.053  40.653  45.711  12.589 45.208  9.4163 0.5035553      15.72113  
1 1 1 16  20  15 o 19.735  6.3786 19.758   14.163  18.605   20.990  20.722   19.189  20.708  7.6961 20.928  7.4178 -0.2197266     10.68894  
1 1 1 16  20  16 o 91.018  1.7577 410.341  15.791  413.389  22.952  407.602  21.760  91.173  2.5505 90.563  2.4343 0.6096344      3.525763  
1 1 1 16  20  17 o 24.893  4.6454 32.327   10.994  27.915   15.842  36.427   15.270  22.887  6.6300 26.101  6.0459 -3.213934      8.972707  
1 1 1 16  20  18 o 36.594  0.9387 66.164   3.3905  71.038   4.8420  61.476   4.7492  37.899  1.2944 35.252  1.3649 2.647057       1.881053  
1 1 1 16  20  19 o 51.046  3.3654 131.107  16.861  136.800  25.956  126.951  22.178  51.493  5.1771 49.832  4.5596 1.661327       6.898710  
1 1 1 16  20  20 o 63.208  6.6166 211.469  40.668  219.025  57.833  204.078  57.200  62.022  9.7703 59.583  10.086 2.439819       14.04234  
1 1 1 16  21  12 o 33.103  6.9219 59.249   21.889  62.296   32.121  56.606   29.909  33.141  9.3908 31.718  9.0873 1.423332       13.06774  
1 1 1 16  21  13 o 28.311  7.1116 43.681   19.847  36.357   29.240  49.938   27.025  26.432  9.1725 29.951  8.6547 -3.519516      12.61107  
1 1 1 16  21  14 o 49.580  6.4859 129.723  30.979  128.855  44.866  130.513  42.828  47.510  9.8891 48.161  9.3466 -0.6509933     13.60707  
1 1 1 16  21  15 o 69.821  3.4727 244.442  23.932  250.335  26.435  217.665  56.347  70.446  3.8161 62.365  9.4497 8.080811       10.19114  
1 1 1 16  21  16 f 142.883 2.4369 1015.72  34.367  1001.59  50.169  1028.22  47.175  141.216 3.5993 143.256 3.3363 -2.040329      4.907726  
1 1 1 16  21  17 o 29.304  1.7174 42.701   4.9458  54.654   23.351  42.140   5.0606  31.435  7.6078 29.103  1.7701 2.332306       7.810977  
1 1 1 17  -10 0  o 12.532  5.1360 3.0821   10.138  3.3356   14.195  2.8182   14.484  14.478  6.0192 14.468  6.0530 0.1011276E-01  8.536370  
1 1 1 17  -10 1  o 40.152  1.0956 79.676   4.3421  84.909   5.2854  68.813   7.6155  41.438  1.2923 37.189  2.0831 4.249187       2.451339  
1 1 1 17  -10 2  o 38.578  1.0828 73.547   4.1231  72.481   7.0914  74.092   5.0678  38.245  1.8785 38.707  1.3265 -0.4618492     2.299642  
1 1 1 17  -10 3  o 75.377  1.5885 281.210  11.819  292.260  16.365  269.163  17.087  76.749  2.1602 73.618  2.3516 3.131310       3.193169  
1 1 1 17  -10 4  o 50.503  1.5130 126.206  7.5422  130.856  8.5264  109.479  16.170  51.409  1.6803 46.636  3.5393 4.773468       3.917947  
1 1 1 17  -10 5  o 54.711  1.7002 148.222  9.1815  109.067  46.316  149.824  9.3674  43.348  10.850 55.003  1.7254 -11.65448      10.98655  
1 1 1 17  -9  0  o 54.471  1.3233 146.701  7.1148  153.597  9.9033  139.345  10.228  55.693  1.8016 53.030  1.9541 2.662666       2.657818  
1 1 1 17  -9  1  o 69.641  2.5019 240.893  17.198  246.425  25.309  236.148  23.441  70.087  3.6713 68.665  3.4700 1.421486       5.051619  
1 1 1 17  -9  2  o 16.060  4.9191 13.095   8.5319  20.952   11.951  4.9294   12.184  20.021  5.7466 14.097  5.6847 5.923956       8.083242  
1 1 1 17  -9  3  o 40.680  1.7336 81.919   6.9611  108.865  20.015  78.211   7.4246  46.312  4.4326 39.738  1.8929 6.574760       4.819865  
1 1 1 17  -9  4  o 64.552  1.4043 206.058  8.9473  217.778  12.368  193.192  12.959  66.310  1.8898 62.428  2.1031 3.881615       2.827383  
1 1 1 17  -9  5  o 37.740  1.2611 70.404   4.6976  57.370   6.7109  82.925   6.5778  33.967  2.0106 40.937  1.6279 -6.969543      2.587031  
1 1 1 17  -9  6  o 68.249  2.6263 231.502  17.692  0.0000   0.0000  231.502  17.692  ?       ?      68.249  2.6263 0.000000       2.626272  
1 1 1 17  -9  7  o 23.830  1.5082 28.205   3.5291  33.080   12.288  27.767   3.6843  25.116  5.1302 23.636  1.5885 1.480740       5.370534  
1 1 1 17  -9  8  o 40.393  1.3136 80.673   5.2372  83.425   7.4224  77.946   7.3907  41.039  1.8324 39.665  1.8878 1.374916       2.630812  
1 1 1 17  -8  0  o 124.100 2.0632 763.128  25.272  770.391  35.598  755.748  35.884  124.447 2.8980 123.241 2.9499 1.205940       4.135322  
1 1 1 17  -8  1  o 20.817  1.0274 21.407   2.1110  29.763   3.0519  13.743   2.9230  24.507  1.2660 16.563  1.8178 7.943350       2.215256  
1 1 1 17  -8  2  o 55.063  1.2475 149.844  6.7801  138.972  9.1485  163.093  10.099  52.991  1.7491 57.403  1.7824 -4.411774      2.497260  
1 1 1 17  -8  3  o 39.433  1.1854 76.837   4.6138  83.584   6.4974  69.974   6.5528  41.106  1.6014 37.601  1.7656 3.504650       2.383666  
1 1 1 17  -8  4  o 74.210  1.4802 272.326  10.842  246.680  15.349  297.862  15.316  70.544  2.2044 77.548  2.0010 -7.003593      2.977166  
1 1 1 17  -8  5  o 17.195  4.7520 15.347   8.3336  9.4185   11.297  22.425   12.343  15.264  5.6514 20.702  5.8057 -5.437834      8.102140  
1 1 1 17  -8  6  o 36.783  1.1241 66.848   4.0812  70.331   5.6845  63.143   5.8631  37.710  1.5272 35.724  1.6628 1.986000       2.257679  
1 1 1 17  -8  7  o 59.345  6.7118 183.027  38.624  203.586  53.890  161.312  55.385  61.367  9.1788 53.600  10.841 7.767349       14.20506  
1 1 1 17  -8  8  o 34.856  1.2413 60.047   4.2705  55.159   6.0660  64.849   6.0131  33.327  1.8514 36.201  1.6829 -2.874149      2.501910  
1 1 1 17  -8  9  o 62.919  1.9550 196.103  12.141  205.699  17.395  186.986  16.955  64.324  2.7397 61.318  2.8014 3.005768       3.918418  
1 1 1 17  -8  10 o 76.361  1.4771 288.417  11.133  307.043  16.809  273.861  14.859  78.686  2.1643 74.335  2.0252 4.351082       2.964039  
1 1 1 17  -7  0  o 47.397  1.1964 111.006  5.5969  110.555  7.6878  111.514  8.1640  47.274  1.6476 47.472  1.7423 -0.1978607     2.397975  
1 1 1 17  -7  1  o 22.434  4.0529 25.934   8.6442  28.729   12.103  23.024   12.350  23.391  5.3573 20.970  5.7808 2.421423       7.881492  
1 1 1 17  -7  2  o 17.071  4.8784 15.034   8.6305  15.197   11.116  14.786   13.694  17.515  5.6500 17.934  6.2742 -0.4186974     8.443211  
1 1 1 17  -7  3  o 71.251  1.4799 251.007  10.408  244.945  14.282  257.873  15.198  70.325  2.0574 72.148  2.1342 -1.822273      2.964446  
1 1 1 17  -7  4  o 19.361  0.7965 18.508   1.5221  17.891   2.0888  19.207   2.2226  18.997  1.1189 19.683  1.1490 -0.6862297     1.603812  
1 1 1 17  -7  5  o 74.188  2.0359 272.567  14.908  295.780  25.376  260.334  18.422  77.059  3.3364 72.429  2.5769 4.629822       4.215633  
1 1 1 17  -7  6  o 14.051  4.6263 9.5107   7.4345  9.6891   10.529  9.3333   10.499  15.116  5.4782 14.967  5.4634 0.1482649      7.736948  
1 1 1 17  -7  7  o 50.063  1.3376 123.879  6.6097  141.599  9.5233  107.409  9.1810  53.491  1.8037 46.573  1.9972 6.917843       2.691133  
1 1 1 17  -7  8  o 14.790  5.1774 9.8759   9.3256  6.7499   10.617  20.436   19.513  14.050  5.4157 21.073  7.4790 -7.022725      9.233901  
1 1 1 17  -7  9  o 100.038 1.8449 495.355  18.217  487.412  25.793  503.260  25.733  99.080  2.6375 100.688 2.5892 -1.608856      3.695997  
1 1 1 17  -7  10 o 58.798  1.1646 170.831  6.7591  172.444  9.5943  169.241  9.5236  59.040  1.6464 58.488  1.6497 0.5511742      2.330683  
1 1 1 17  -7  11 o 81.407  1.6932 327.952  13.605  325.142  18.398  331.342  20.211  80.965  2.3022 81.695  2.5064 -0.7305832     3.403272  
1 1 1 17  -6  0  o 61.180  1.4093 185.018  8.5105  187.291  11.823  182.574  12.260  61.509  1.9474 60.720  2.0456 0.7891273      2.824348  
1 1 1 17  -6  1  o 56.836  2.1554 160.004  12.091  153.886  15.205  170.530  19.942  55.672  2.7670 58.404  3.4751 -2.732052      4.442121  
1 1 1 17  -6  2  o 63.780  1.5004 201.105  9.4453  202.748  14.032  199.744  12.772  63.974  2.2223 63.517  2.0372 0.4564857      3.014701  
1 1 1 17  -6  3  o 30.809  3.0261 47.613   9.0834  47.947   12.050  47.173   13.823  30.718  4.0749 30.306  4.7794 0.4120045      6.280738  
1 1 1 17  -6  4  o 28.391  1.0946 39.815   3.0674  42.196   4.2291  37.172   4.4557  29.180  1.4731 27.367  1.6574 1.813023       2.217419  
1 1 1 17  -6  5  o 51.647  1.4209 131.844  7.2433  142.599  9.7615  118.667  10.805  53.685  1.8422 48.943  2.2367 4.741226       2.897630  
1 1 1 17  -6  6  o 58.167  1.4142 167.231  8.1193  161.704  12.040  171.842  10.996  57.142  2.1346 58.928  1.8905 -1.785892      2.851438  
1 1 1 17  -6  7  o 25.232  0.8034 31.437   2.0010  30.039   2.8379  32.819   2.8219  24.658  1.1660 25.775  1.1092 -1.117111      1.609299  
1 1 1 17  -6  8  o 54.619  1.2615 147.411  6.8010  144.995  9.5740  149.872  9.6626  54.135  1.7918 55.038  1.7787 -0.9037399     2.524709  
1 1 1 17  -6  9  o 60.862  1.5895 183.178  9.5484  183.887  9.7107  162.490  52.437  60.978  1.6134 54.498  10.121 6.479473       10.24855  
1 1 1 17  -6  10 o 80.063  1.4914 316.925  11.786  324.527  15.612  306.854  17.970  80.965  1.9536 78.680  2.3139 2.284645       3.028351  
1 1 1 17  -6  11 o 43.003  1.2268 91.379   5.2072  90.563   7.2860  92.232   7.4448  42.784  1.7254 43.175  1.7470 -0.3911324     2.455362  
1 1 1 17  -6  12 o 62.357  1.9764 192.565  12.165  195.370  17.442  189.907  16.975  62.698  2.8184 61.821  2.7819 0.8772430      3.960069  
1 1 1 17  -6  13 o 75.108  1.4219 278.937  10.541  279.368  14.281  278.422  15.625  75.105  1.9264 74.951  2.1121 0.1539688      2.858664  
1 1 1 17  -5  0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -5  1  o 67.719  13.693 262.923  88.379  0.0000   0.0000  262.923  88.379  ?       ?      67.719  13.693 0.000000       13.69280  
1 1 1 17  -5  2  o 91.973  7.3433 435.517  66.108  412.506  114.108 447.142  81.105  85.070  14.082 92.248  9.0231 -7.178101      16.72503  
1 1 1 17  -5  3  o 57.955  7.6693 174.964  42.794  189.874  74.158  167.520  52.398  57.705  13.294 55.766  9.8813 1.939419       16.56390  
1 1 1 17  -5  4  o 55.334  7.4476 159.185  39.643  180.298  69.278  148.905  48.340  56.525  12.724 52.615  9.6643 3.909622       15.97806  
1 1 1 17  -5  5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -5  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -5  7  o 87.408  7.3461 393.568  62.790  384.461  77.230  411.326  107.844 85.316  9.3229 85.647  13.180 -0.3307343     16.14372  
1 1 1 17  -5  8  o 46.685  6.6711 112.971  29.866  117.730  41.704  107.961  42.790  46.687  9.3757 44.436  9.9979 2.250668       13.70623  
1 1 1 17  -5  9  o 53.805  6.4676 149.162  33.659  137.159  47.564  161.203  47.639  50.189  9.9529 54.900  9.1107 -4.710754      13.49314  
1 1 1 17  -5  10 o 37.613  1.0939 69.883   4.0612  68.799   5.8917  70.865   5.6058  37.301  1.6003 37.861  1.5001 -0.5604134     2.193407  
1 1 1 17  -5  11 o 37.345  1.1764 68.903   4.3365  65.541   6.0925  72.356   6.1737  36.402  1.6957 38.250  1.6352 -1.848770      2.355686  
1 1 1 17  -5  12 o 113.991 1.8623 643.052  20.953  632.740  30.069  652.786  29.214  112.902 2.6983 114.704 2.5804 -1.802818      3.733507  
1 1 1 17  -5  13 o 82.848  1.5557 339.432  12.722  365.232  18.598  316.741  17.441  85.853  2.1947 79.949  2.2102 5.904388       3.114735  
1 1 1 17  -5  14 o 76.218  1.5808 287.345  11.893  301.130  16.513  272.488  17.143  77.951  2.1462 74.122  2.3431 3.829285       3.177471  
1 1 1 17  -4  0  o 80.460  6.2765 329.921  49.452  321.425  69.888  338.441  69.984  77.999  9.2586 80.204  8.9954 -2.204559      12.90888  
1 1 1 17  -4  1  o 23.187  6.6764 27.952   16.108  34.751   23.738  22.148   21.930  26.052  8.2412 22.186  7.9228 3.865280       11.43184  
1 1 1 17  -4  2  o 15.150  5.8209 7.8910   12.237  8.0969   15.975  7.5986   19.036  16.634  6.5748 17.606  7.1034 -0.9722672     9.679130  
1 1 1 17  -4  3  o 92.350  6.2667 432.732  56.784  444.345  80.454  421.204  80.157  92.310  8.9422 89.727  9.1800 2.582947       12.81547  
1 1 1 17  -4  4  o 33.277  6.9977 58.214   22.255  53.981   30.940  62.753   32.037  31.886  9.2737 34.211  9.2608 -2.325058      13.10587  
1 1 1 17  -4  5  o 79.377  6.2992 320.091  48.947  322.882  69.299  317.311  69.145  78.536  9.1090 77.814  9.1793 0.7212677      12.93184  
1 1 1 17  -4  6  o 97.018  6.3466 477.568  60.440  482.334  85.965  472.910  84.993  96.103  9.1740 95.160  9.1622 0.9431305      12.96563  
1 1 1 17  -4  7  o 75.594  6.2726 290.637  46.380  280.226  65.648  301.012  65.535  72.940  9.3324 75.827  8.9271 -2.887306      12.91461  
1 1 1 17  -4  8  f 68.227  13.999 264.844  91.111  0.0000   0.0000  264.844  91.111  ?       ?      68.227  13.999 0.000000       13.99880  
1 1 1 17  -4  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -4  10 o 56.330  6.3669 162.839  34.778  166.470  49.162  159.202  49.206  55.842  9.2427 54.473  9.4972 1.369263       13.25229  
1 1 1 17  -4  11 o 70.762  6.2840 255.970  43.433  251.114  61.116  260.924  61.737  68.747  9.2407 70.152  9.1325 -1.404785      12.99209  
1 1 1 17  -4  12 o 43.416  2.0863 93.328   8.9406  131.487  42.145  91.530   9.1489  49.519  8.9523 42.936  2.1658 6.582222       9.210591  
1 1 1 17  -4  13 f 66.260  1.4720 217.037  9.6272  221.667  13.995  212.877  13.265  66.904  2.1192 65.571  2.0495 1.332718       2.948135  
1 1 1 17  -4  14 o 105.898 1.8364 554.961  19.195  576.752  26.885  532.303  27.415  107.826 2.5261 103.554 2.6821 4.272133       3.684427  
1 1 1 17  -4  15 o 14.641  4.7810 10.426   7.9461  15.895   11.869  5.9826   10.697  17.941  5.8423 13.813  5.4048 4.127188       7.958936  
1 1 1 17  -3  0  o 14.199  1.2459 10.036   1.7285  10.873   2.4255  9.1717   2.4638  14.732  1.6992 13.485  1.9041 1.247446       2.552014  
1 1 1 17  -3  1  o 33.086  1.1380 54.065   3.7164  54.198   3.7455  45.663   29.852  33.126  1.1455 29.637  9.2220 3.489161       9.292829  
1 1 1 17  -3  2  o 101.541 1.9008 509.885  19.051  510.074  23.797  509.548  31.792  101.502 2.3753 101.322 3.1789 0.1796570      3.968285  
1 1 1 17  -3  3  o 73.626  1.3102 267.773  9.5216  262.308  13.458  273.250  13.473  72.835  1.8720 74.342  1.8361 -1.506256      2.622180  
1 1 1 17  -3  4  o 104.801 1.8401 543.020  19.034  547.695  27.070  538.448  26.770  105.157 2.6080 104.266 2.6012 0.8905945      3.683488  
1 1 1 17  -3  5  o 77.139  1.5729 294.042  11.976  295.158  16.809  292.890  17.068  77.237  2.2048 76.935  2.2476 0.3012009      3.148485  
1 1 1 17  -3  6  o 110.946 1.6876 608.382  18.480  606.399  26.466  610.268  25.816  110.677 2.4227 111.039 2.3555 -0.3619156     3.378993  
1 1 1 17  -3  7  o 95.154  1.7597 447.587  16.527  451.235  23.551  444.048  23.198  95.460  2.4995 94.699  2.4819 0.7609711      3.522382  
1 1 1 17  -3  8  o 79.023  1.4424 308.541  11.250  320.655  16.233  297.346  15.606  80.512  2.0427 77.531  2.0392 2.981110       2.886378  
1 1 1 17  -3  9  o 114.721 2.4533 651.806  27.780  688.621  39.286  614.988  39.288  117.731 3.3808 111.214 3.5790 6.516907       4.923336  
1 1 1 17  -3  10 f 84.089  7.2954 362.863  59.951  393.936  105.215 347.925  72.952  84.326  13.063 81.402  9.2435 2.924072       16.00302  
1 1 1 17  -3  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -3  12 o 84.159  6.2802 360.910  51.792  353.945  73.445  367.799  73.047  81.868  9.2513 83.618  8.9918 -1.750328      12.90112  
1 1 1 17  -3  13 o 11.185  4.8053 -0.5238  9.5459  2.4775   12.636  -4.5136  14.569  13.662  5.6795 12.948  5.7392 0.7137251      8.074338  
1 1 1 17  -3  14 o 49.764  1.3696 122.391  6.7272  121.563  9.2804  123.309  9.7655  49.564  1.8970 49.912  1.9822 -0.3485870     2.743690  
1 1 1 17  -3  15 o 135.205 2.1105 905.336  28.165  910.085  38.899  900.102  40.835  135.345 2.9118 134.549 3.0748 0.7958069      4.234737  
1 1 1 17  -3  16 o 61.135  1.9032 185.025  11.484  181.552  15.957  188.757  16.541  60.468  2.6736 61.650  2.7182 -1.181870      3.812748  
1 1 1 17  -2  0  f 34.287  2.6062 58.584   8.7541  60.252   11.826  56.562   13.020  34.642  3.5069 33.461  4.0228 1.180927       5.336836  
1 1 1 17  -2  1  o 177.962 2.3539 1567.76  41.348  1597.09  58.294  1538.06  58.658  179.359 3.2928 175.986 3.3768 3.372833       4.716553  
1 1 1 17  -2  2  o 140.487 2.3853 976.896  33.076  981.132  40.729  968.693  56.683  140.685 2.9331 139.492 4.1169 1.193832       5.054908  
1 1 1 17  -2  3  o 32.673  2.4509 53.135   7.8464  53.050   11.309  53.214   10.896  32.489  3.5862 32.563  3.4422 -0.7364273E-01 4.970882  
1 1 1 17  -2  4  o 177.343 2.5449 1556.96  44.547  1583.00  62.712  1530.44  63.290  178.556 3.5583 175.538 3.6528 3.017670       5.099483  
1 1 1 17  -2  5  o 53.460  1.1756 141.139  6.2035  139.818  8.8980  142.387  8.6532  53.191  1.6948 53.680  1.6332 -0.4891434     2.353652  
1 1 1 17  -2  6  o 129.675 1.9796 831.414  25.338  855.038  35.521  806.942  36.153  131.393 2.7390 127.622 2.8700 3.771057       3.967237  
1 1 1 17  -2  7  o 45.951  2.0201 104.411  9.1625  113.108  13.351  96.669   12.597  47.697  2.8490 44.073  2.9121 3.623199       4.073977  
1 1 1 17  -2  8  o 92.745  1.6226 425.057  14.854  437.056  21.438  413.977  20.600  93.982  2.3110 91.470  2.2817 2.511993       3.247593  
1 1 1 17  -2  9  o 48.046  1.9269 114.144  9.1381  120.480  13.482  108.759  12.429  49.233  2.7858 46.779  2.7033 2.453842       3.881857  
1 1 1 17  -2  10 f 61.487  1.1617 186.721  7.0503  188.713  10.842  185.262  9.2804  61.784  1.7779 61.230  1.5356 0.5539360      2.349211  
1 1 1 17  -2  11 o 66.456  1.5894 218.279  10.425  217.072  15.763  219.218  13.900  66.208  2.4121 66.560  2.1157 -0.3526459     3.208530  
1 1 1 17  -2  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  -2  13 o 51.550  6.4496 136.719  32.099  138.713  45.390  134.724  45.398  50.849  9.3897 50.034  9.5409 0.8149948      13.38632  
1 1 1 17  -2  14 o 17.215  6.1926 12.829   13.420  6.6415   18.501  19.701   19.496  17.148  6.9728 20.936  7.4710 -3.788307      10.21932  
1 1 1 17  -2  15 o 54.992  2.6085 149.988  14.159  158.163  18.660  138.894  21.737  56.278  3.3749 52.544  4.2270 3.733559       5.409006  
1 1 1 17  -2  16 o 52.263  1.9060 135.181  9.8320  139.770  13.762  130.397  14.052  53.075  2.6269 51.172  2.7927 1.902966       3.833992  
1 1 1 17  -2  17 o 32.586  0.9705 52.446   3.1216  51.916   5.3743  52.717   3.8348  32.351  1.6889 32.663  1.1894 -0.3125877     2.065733  
1 1 1 17  -1  0  o 70.374  1.2724 244.637  8.8382  240.672  12.491  248.613  12.508  69.769  1.8138 70.913  1.7870 -1.143562      2.546195  
1 1 1 17  -1  1  f 65.956  1.4113 214.911  9.1876  216.265  13.254  213.657  12.747  66.128  2.0306 65.732  1.9647 0.3954926      2.825537  
1 1 1 17  -1  2  o 145.430 2.5453 1047.04  36.536  1069.53  59.861  1033.68  46.123  146.610 4.1367 144.361 3.2369 2.248962       5.252590  
1 1 1 17  -1  3  o 77.295  1.4317 295.127  10.923  306.337  15.450  283.925  15.444  78.715  1.9885 75.775  2.0649 2.939575       2.866742  
1 1 1 17  -1  4  o 63.886  1.6136 201.661  10.175  187.634  13.132  222.726  16.094  61.597  2.1600 67.091  2.4303 -5.494934      3.251432  
1 1 1 17  -1  5  o 183.267 2.6524 1662.63  47.979  1659.95  67.843  1665.31  67.864  182.839 3.7592 183.136 3.7543 -0.2966156     5.312883  
1 1 1 17  -1  6  o 172.717 2.5317 1476.29  43.159  1470.10  61.019  1482.49  61.054  172.114 3.5918 172.842 3.5788 -0.7272034     5.070382  
1 1 1 17  -1  7  o 122.357 1.8587 739.970  22.448  741.560  31.743  738.379  31.751  122.397 2.6275 122.133 2.6338 0.2636642      3.720294  
1 1 1 17  -1  8  o 169.656 2.2565 1423.72  37.787  1468.00  53.662  1380.18  53.219  172.086 3.1593 166.842 3.2317 5.243988       4.519382  
1 1 1 17  -1  9  o 29.609  1.0689 43.291   3.1238  49.239   4.4278  37.396   4.4078  31.572  1.4209 27.462  1.6335 4.110281       2.165012  
1 1 1 17  -1  10 o 39.021  2.1764 75.551   8.3490  77.394   11.944  73.790   11.675  39.388  3.0973 38.454  3.1023 0.9343338      4.383803  
1 1 1 17  -1  11 o 32.190  0.8936 51.160   2.8391  47.846   4.7714  52.976   3.5325  31.117  1.5535 32.753  1.0927 -1.636436      1.899308  
1 1 1 17  -1  12 o 124.171 2.2098 763.042  27.084  758.106  45.703  765.714  33.625  123.448 3.7508 124.296 2.7407 -0.8480759     4.645485  
1 1 1 17  -1  13 o 72.066  6.1907 264.146  43.609  262.084  61.762  266.196  61.582  70.617  9.0705 71.229  8.9574 -0.6117859     12.74790  
1 1 1 17  -1  14 o 51.693  13.003 151.789  66.287  151.789  66.287  0.0000   0.0000  51.693  13.003 ?       ?      0.000000       13.00349  
1 1 1 17  -1  15 o 70.374  6.2645 252.930  43.059  250.327  60.860  255.538  60.931  68.715  9.2045 69.487  9.1027 -0.7716217     12.94535  
1 1 1 17  -1  16 o 15.626  5.0975 11.868   9.0339  9.3150   11.470  16.039   14.662  15.331  5.6908 18.653  6.4939 -3.322150      8.634595  
1 1 1 17  -1  17 o 40.700  1.4087 81.876   5.6591  81.700   6.4162  82.496   12.009  40.647  1.5992 40.632  3.0158 0.1482773E-01  3.413620  
1 1 1 17  -1  18 o 23.043  9.4352 13.584   34.172  0.0000   0.0000  13.584   34.172  ?       ?      23.043  9.4352 0.000000       9.435178  
1 1 1 17  0   0  o 106.813 2.0669 564.335  21.791  576.710  26.240  536.837  39.115  107.926 2.4632 103.895 3.8144 4.031479       4.540581  
1 1 1 17  0   1  o 61.195  1.4106 184.991  8.5200  200.870  11.970  168.686  12.130  63.741  1.9026 58.401  2.1043 5.340782       2.836840  
1 1 1 17  0   2  o 45.432  1.1389 101.927  5.1074  105.092  7.1660  98.660   7.2812  46.120  1.5742 44.684  1.6509 1.436192       2.281125  
1 1 1 17  0   3  o 180.266 3.2027 1610.83  56.985  1557.46  168.844 1617.69  60.536  173.772 9.8849 180.600 3.3960 -6.827667      10.45197  
1 1 1 17  0   4  f 62.689  1.4478 194.117  8.9588  187.409  14.846  197.959  11.235  61.547  2.4439 63.292  1.7984 -1.744583      3.034257  
1 1 1 17  0   5  o 93.300  1.5345 430.007  14.131  418.587  19.983  441.431  19.986  92.006  2.2004 94.488  2.1430 -2.482056      3.071537  
1 1 1 17  0   6  o 64.609  1.3086 206.153  8.3454  195.127  12.057  216.292  11.563  62.832  1.9442 66.160  1.7706 -3.328426      2.629643  
1 1 1 17  0   7  o 151.815 2.1356 1139.54  32.002  1144.44  44.864  1134.46  45.661  152.008 2.9902 151.332 3.0569 0.6767120      4.276237  
1 1 1 17  0   8  o 96.124  1.6736 456.522  15.879  475.232  22.676  438.518  22.243  98.020  2.3438 94.153  2.3935 3.866852       3.349929  
1 1 1 17  0   9  o 77.851  1.7656 299.509  13.567  295.260  19.218  303.730  19.156  77.245  2.5206 78.348  2.4771 -1.103607      3.534080  
1 1 1 17  0   10 o 32.137  2.5216 51.425   7.9344  45.607   11.345  56.995   11.101  30.049  3.9184 33.732  3.3796 -3.682972      5.174543  
1 1 1 17  0   11 o 33.517  2.5177 55.917   8.2682  58.634   11.456  52.963   11.946  34.203  3.4400 32.431  3.8040 1.772129       5.128731  
1 1 1 17  0   12 o 44.724  1.4960 98.829   6.6039  100.314  7.6420  94.449   13.124  45.051  1.7186 43.535  3.0739 1.515747       3.521676  
1 1 1 17  0   13 o 23.435  3.4253 27.847   7.6893  34.638   11.116  21.617   10.648  25.986  4.4966 20.390  5.2570 5.595478       6.917741  
1 1 1 17  0   14 o 61.339  6.1592 191.758  36.787  179.816  51.844  203.868  52.207  58.216  9.3381 62.318  8.7268 -4.102528      12.78109  
1 1 1 17  0   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  0   16 o 69.114  6.2857 244.050  42.411  245.096  59.928  243.001  60.029  68.009  9.1605 67.681  9.2263 0.3280106      13.00148  
1 1 1 17  0   17 o 62.151  1.8418 191.109  11.299  188.240  16.006  193.958  15.952  61.604  2.6324 62.538  2.5843 -0.9342499     3.688895  
1 1 1 17  0   18 o 35.519  0.9625 62.308   3.3744  61.600   5.6360  62.703   4.2129  35.293  1.6179 35.624  1.1981 -0.3312531     2.013209  
1 1 1 17  1   0  o 79.150  1.6846 309.630  13.161  283.770  18.207  337.925  19.046  75.712  2.4364 82.631  2.3352 -6.919579      3.374791  
1 1 1 17  1   1  o 37.601  2.6391 70.346   9.7326  73.989   11.669  62.019   17.643  38.510  3.0960 34.839  5.2975 3.670216       6.135859  
1 1 1 17  1   2  o 143.015 2.0720 1011.31  29.249  1019.59  40.934  1002.68  41.809  143.471 2.8906 142.261 2.9775 1.210083       4.149808  
1 1 1 17  1   3  o 130.020 1.9935 835.672  25.583  819.799  35.851  852.139  36.517  128.673 2.8228 131.187 2.8201 -2.513855      3.990183  
1 1 1 17  1   4  o 136.221 6.4100 930.643  86.185  950.153  121.873 911.125  121.896 136.262 9.1140 133.314 9.3223 2.948318       13.03729  
1 1 1 17  1   5  o 32.207  2.4733 51.613   7.8026  46.574   11.331  56.157   10.760  30.393  3.8644 33.503  3.2966 -3.110409      5.079469  
1 1 1 17  1   6  o 44.005  0.8916 95.596   3.8728  107.183  5.4852  84.078   5.4688  46.590  1.1928 41.261  1.3428 5.328979       1.796082  
1 1 1 17  1   7  o 106.221 1.7800 557.491  18.662  568.312  26.713  547.175  26.082  107.182 2.5250 105.171 2.5126 2.010872       3.562105  
1 1 1 17  1   8  o 62.708  1.3609 194.202  8.4231  186.834  11.785  201.895  12.043  61.484  1.9420 63.916  1.9090 -2.431629      2.723109  
1 1 1 17  1   9  o 157.661 2.3275 1229.35  36.219  1263.43  51.041  1194.79  51.405  159.673 3.2386 155.252 3.3545 4.421249       4.662759  
1 1 1 17  1   10 o 41.024  1.3641 83.122   5.5234  78.339   12.947  84.186   6.1070  39.612  3.3426 41.283  1.4987 -1.670830      3.663223  
1 1 1 17  1   11 f 52.067  2.1138 134.053  10.863  135.050  15.602  133.115  15.135  52.118  3.0462 51.751  2.9755 0.3672447      4.258290  
1 1 1 17  1   12 o 125.434 1.9444 777.853  24.073  782.465  34.105  773.273  33.984  125.694 2.7490 124.953 2.7554 0.7414780      3.892225  
1 1 1 17  1   13 o 126.030 1.9589 785.420  24.368  798.576  34.403  772.173  34.521  126.962 2.7453 124.835 2.8017 2.126389       3.922509  
1 1 1 17  1   14 o 25.518  3.4315 32.920   8.4241  31.622   12.530  33.991   11.380  24.660  5.3052 25.704  4.6569 -1.043995      7.059165  
1 1 1 17  1   15 o 47.074  6.4101 114.022  29.009  114.126  41.441  113.923  40.621  46.101  9.4253 46.122  9.2450 -0.2100372E-01 13.20251  
1 1 1 17  1   16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  1   17 o 86.347  6.2385 379.781  52.811  410.033  75.140  350.248  74.240  88.465  8.7187 81.310  9.4252 7.154625       12.83941  
1 1 1 17  1   18 o 68.734  1.5285 233.560  10.370  229.225  14.370  238.271  14.979  68.037  2.1399 69.361  2.1880 -1.324203      3.060435  
1 1 1 17  1   19 o 38.480  1.1716 73.156   4.4500  89.849   6.3538  57.086   6.2343  42.629  1.5101 33.911  1.8698 8.717678       2.403426  
1 1 1 17  2   0  o 53.380  1.7725 140.852  9.3392  126.028  13.295  155.293  13.122  50.370  2.6838 56.014  2.3734 -5.644230      3.582726  
1 1 1 17  2   1  o 134.688 1.9194 896.822  25.517  889.206  36.127  904.403  36.045  133.997 2.7315 135.142 2.7022 -1.145172      3.842311  
1 1 1 17  2   2  o 48.848  2.3136 118.030  11.155  116.674  13.176  121.462  20.960  48.464  2.7658 49.221  4.3594 -0.7563362     5.162720  
1 1 1 17  2   3  o 35.663  2.2030 63.129   7.7168  63.623   11.327  62.700   10.542  35.683  3.2516 35.449  3.0424 0.2347069      4.452981  
1 1 1 17  2   4  o 121.248 1.8651 726.495  22.321  730.911  31.783  722.198  31.355  121.534 2.6495 120.810 2.6295 0.7241821      3.732845  
1 1 1 17  2   5  o 43.594  3.4921 94.810   14.900  96.711   16.523  86.535   34.475  43.983  3.8446 40.545  8.8620 3.437431       9.660030  
1 1 1 17  2   6  o 144.903 2.0362 1037.79  29.122  1011.60  40.970  1064.53  41.403  142.953 2.9036 146.652 2.8603 -3.698929      4.075812  
1 1 1 17  2   7  o 55.355  1.7857 151.393  9.7566  149.943  13.960  152.778  13.641  55.055  2.5690 55.577  2.4866 -0.5221863     3.575343  
1 1 1 17  2   8  o 142.962 2.1579 1010.35  30.450  1018.62  43.480  1002.39  42.657  143.422 3.0714 142.280 3.0375 1.142014       4.319703  
1 1 1 17  2   9  o 54.315  1.6207 145.735  8.6889  143.913  18.627  146.242  9.8230  53.763  3.5298 54.402  1.8293 -0.6394844     3.975701  
1 1 1 17  2   10 o 68.661  1.7854 232.944  12.100  244.330  17.384  222.244  16.852  70.277  2.5062 67.023  2.5474 3.254211       3.573552  
1 1 1 17  2   11 f 95.275  1.7632 448.550  16.581  448.671  23.418  448.428  23.481  95.228  2.4914 95.202  2.4988 0.2642822E-01  3.528605  
1 1 1 17  2   12 o 72.874  1.8948 262.498  13.629  267.477  19.500  257.743  19.058  73.504  2.6877 72.155  2.6759 1.348907       3.792625  
1 1 1 17  2   13 o 107.344 1.9113 569.645  20.250  556.548  28.536  582.930  28.741  106.008 2.7273 108.498 2.6838 -2.489487      3.826291  
1 1 1 17  2   14 o 94.147  1.7915 438.169  16.648  431.224  23.477  445.194  23.611  93.318  2.5488 94.821  2.5227 -1.502785      3.586161  
1 1 1 17  2   15 o 95.454  1.7316 450.443  16.314  466.840  22.849  433.391  23.302  97.100  2.3840 93.539  2.5238 3.561775       3.471798  
1 1 1 17  2   16 o 78.410  6.1422 312.423  47.157  344.739  67.114  280.911  66.273  81.366  8.4814 72.921  9.4285 8.444702       12.68194  
1 1 1 17  2   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  2   18 o 40.575  1.2056 81.335   4.8284  90.790   6.7827  71.621   6.8749  42.852  1.6036 38.050  1.8306 4.802254       2.433626  
1 1 1 17  2   19 o 18.703  1.4998 17.403   2.7453  19.872   11.098  17.243   2.8334  19.568  5.5111 18.610  1.5568 0.9588337      5.726817  
1 1 1 17  2   20 o 67.970  6.2992 237.500  41.780  249.672  59.651  225.779  58.536  68.302  9.0726 64.702  9.4441 3.600227       13.09594  
1 1 1 17  3   0  o 73.124  1.4085 264.157  10.166  262.122  14.059  266.387  14.717  72.807  1.9563 73.391  2.0316 -0.5841827     2.820369  
1 1 1 17  3   1  o 93.283  1.6837 430.013  15.502  465.085  21.621  392.908  22.239  96.961  2.2592 89.094  2.5289 7.867577       3.391049  
1 1 1 17  3   2  o 56.901  1.3337 159.907  7.4905  158.260  10.493  161.619  10.696  56.586  1.8788 57.182  1.8951 -0.5965538     2.668544  
1 1 1 17  3   3  o 16.400  1.0610 13.336   1.7083  14.196   2.1322  11.794   2.8547  16.906  1.2875 15.327  1.9298 1.578850       2.319846  
1 1 1 17  3   4  o 145.939 2.3727 1053.33  34.178  1067.04  48.708  1040.04  47.972  146.729 3.3632 144.862 3.3551 1.866562       4.750508  
1 1 1 17  3   5  o 211.134 2.9796 2207.04  62.094  2248.36  87.961  2165.99  87.669  212.769 4.1884 208.815 4.2535 3.954285       5.969521  
1 1 1 17  3   6  o 171.011 3.5518 1449.68  59.952  1449.68  59.952  0.0000   0.0000  171.011 3.5518 ?       ?      0.000000       3.551754  
1 1 1 17  3   7  o 17.360  1.0579 14.934   1.8040  16.127   2.5939  13.815   2.5105  18.010  1.4720 16.653  1.5449 1.357273       2.133910  
1 1 1 17  3   8  o 150.195 2.1394 1115.09  31.717  1126.68  44.397  1103.01  45.327  150.861 2.9815 149.253 3.0768 1.607819       4.284415  
1 1 1 17  3   9  o 68.724  1.1722 233.205  7.9513  216.891  11.239  249.549  11.250  66.259  1.7186 71.077  1.6036 -4.818344      2.350546  
1 1 1 17  3   10 o 70.865  1.5411 248.051  10.779  261.875  14.770  232.299  15.767  72.788  2.0558 68.539  2.3306 4.248642       3.107761  
1 1 1 17  3   11 o 122.664 1.8644 743.566  22.573  699.107  31.104  793.036  32.810  118.859 2.6512 126.596 2.6258 -7.736481      3.731460  
1 1 1 17  3   12 o 104.563 1.8257 540.326  18.843  558.481  26.726  522.382  26.571  106.237 2.5487 102.738 2.6202 3.498558       3.655347  
1 1 1 17  3   13 f 46.832  2.1875 108.471  10.112  106.966  14.565  109.871  14.049  46.341  3.2040 46.990  3.0455 -0.6486473     4.420510  
1 1 1 17  3   14 o 91.012  1.8932 409.503  17.007  419.949  24.009  398.983  24.094  92.090  2.6413 89.753  2.7197 2.337265       3.791258  
1 1 1 17  3   15 o 77.549  1.6555 297.232  12.672  298.714  17.597  295.635  18.262  77.689  2.2948 77.278  2.3942 0.4110718      3.316364  
1 1 1 17  3   16 o 25.934  6.5728 35.345   16.847  41.048   24.317  30.081   23.361  27.996  8.2442 24.699  8.2040 3.296537       11.63070  
1 1 1 17  3   17 o 96.103  6.2260 469.186  58.741  482.270  83.235  456.203  82.910  96.055  8.8796 93.261  9.1238 2.794395       12.73147  
1 1 1 17  3   18 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  3   19 o 104.897 1.9755 544.597  20.454  526.474  28.458  563.963  29.418  102.988 2.7995 106.593 2.7961 -3.604439      3.956661  
1 1 1 17  3   20 o 70.356  1.3498 244.648  9.3734  248.542  13.258  240.756  13.254  70.863  1.8954 69.741  1.9255 1.121941       2.701863  
1 1 1 17  4   0  o 73.486  1.4182 266.791  10.287  262.427  15.470  270.251  13.773  72.832  2.1519 73.931  1.8875 -1.098488      2.862411  
1 1 1 17  4   1  o 120.220 1.8122 714.388  21.503  691.790  30.313  737.279  30.509  118.206 2.5981 122.040 2.5327 -3.834183      3.628334  
1 1 1 17  4   2  o 55.443  1.6971 151.892  9.2872  134.879  12.796  170.832  13.501  52.208  2.4831 58.766  2.3276 -6.557323      3.403425  
1 1 1 17  4   3  o 21.621  3.5887 23.801   7.3901  28.538   10.406  18.979   10.497  23.544  4.6428 19.219  5.3415 4.325008       7.077183  
1 1 1 17  4   4  o 121.934 1.9250 734.790  23.168  726.151  33.148  743.040  32.394  121.125 2.7726 122.537 2.6784 -1.412292      3.855001  
1 1 1 17  4   5  o 330.076 4.1581 5410.37  135.470 5367.94  193.851 5450.86  189.395 327.689 5.9934 330.338 5.8087 -2.649200      8.346343  
1 1 1 17  4   6  o 111.406 1.9508 613.332  21.451  629.955  29.881  595.654  30.814  112.839 2.6829 109.707 2.8456 3.132172       3.910974  
1 1 1 17  4   7  o 147.748 2.2641 1079.21  33.018  1103.19  46.869  1055.60  46.521  149.253 3.1815 145.990 3.2284 3.262238       4.532611  
1 1 1 17  4   8  o 65.028  1.4744 208.849  9.4636  202.755  12.999  215.722  13.805  64.050  2.0561 66.064  2.1170 -2.013489      2.951170  
1 1 1 17  4   9  o 84.504  1.7191 352.774  14.339  354.368  18.544  350.404  22.613  84.665  2.2190 84.154  2.7223 0.5110550      3.512128  
1 1 1 17  4   10 o 67.753  1.2757 226.680  8.5315  229.284  11.991  224.010  12.141  68.122  1.7834 67.332  1.8268 0.7898026      2.552958  
1 1 1 17  4   11 o 84.371  1.7303 351.702  14.410  347.336  19.970  356.444  20.813  83.802  2.4143 84.888  2.4841 -1.086349      3.464026  
1 1 1 17  4   12 o 113.513 1.8897 636.805  21.173  651.314  30.391  623.122  29.514  114.717 2.6840 112.209 2.6648 2.507980       3.782219  
1 1 1 17  4   13 o 41.397  2.3728 85.054   9.6550  79.501   13.699  90.536   13.610  39.879  3.5162 42.612  3.2606 -2.732822      4.795334  
1 1 1 17  4   14 o 83.092  1.8264 341.262  14.980  317.988  20.977  365.480  21.398  80.140  2.6519 85.930  2.5229 -5.789597      3.660248  
1 1 1 17  4   15 o 34.633  1.0111 59.225   3.4562  67.547   4.9239  51.143   4.8526  36.978  1.3491 32.172  1.5281 4.806149       2.038412  
1 1 1 17  4   16 o 40.345  1.4189 80.423   5.6502  69.314   8.0153  91.395   7.9660  37.362  2.1830 42.990  1.8773 -5.628033      2.879176  
1 1 1 17  4   17 o 28.283  6.8336 42.208   18.864  45.321   26.261  38.890   27.114  29.302  8.5500 27.562  8.8171 1.739248       12.28188  
1 1 1 17  4   18 o 30.640  6.9187 49.634   20.429  40.419   28.804  58.962   28.980  28.074  9.0990 33.113  8.7392 -5.038916      12.61604  
1 1 1 17  4   19 o 52.235  2.7034 135.722  13.890  127.256  23.894  140.043  17.071  50.124  4.8920 52.965  3.2816 -2.841293      5.890687  
1 1 1 17  4   20 o 86.268  1.6517 368.058  14.064  362.573  19.367  374.179  20.458  85.539  2.2938 86.883  2.3856 -1.343971      3.309473  
1 1 1 17  4   21 f 74.703  1.5857 276.010  11.692  272.130  16.818  279.639  16.267  74.088  2.2998 75.119  2.1939 -1.030571      3.178401  
1 1 1 17  5   0  o 45.276  1.3948 101.274  6.2334  103.626  11.971  100.399  7.3014  45.658  2.6679 45.071  1.6412 0.5869637      3.132289  
1 1 1 17  5   1  o 58.511  1.4493 169.134  8.3702  173.835  12.839  165.660  11.039  59.279  2.1942 57.884  1.9321 1.395267       2.923633  
1 1 1 17  5   2  o 115.153 1.9287 655.502  21.921  665.912  31.474  645.693  30.550  115.965 2.7497 114.196 2.7104 1.768677       3.860974  
1 1 1 17  5   3  o 124.163 2.0742 762.182  25.420  778.266  35.482  745.221  36.437  125.366 2.8675 122.654 3.0097 2.711388       4.156998  
1 1 1 17  5   4  o 80.951  1.6064 323.725  12.835  337.874  17.750  308.217  18.582  82.667  2.1753 78.941  2.3848 3.725815       3.227927  
1 1 1 17  5   5  o 160.500 2.4683 1274.15  39.103  1249.84  56.777  1296.09  53.933  158.759 3.6233 161.719 3.3788 -2.960815      4.954241  
1 1 1 17  5   6  o 244.378 3.3695 2959.09  81.276  3013.44  115.074 2904.98  114.809 246.136 4.7366 241.635 4.8138 4.501099       6.753371  
1 1 1 17  5   7  o 119.798 2.3450 709.615  27.728  722.573  49.241  703.597  33.554  120.647 4.1350 119.235 2.8511 1.412071       5.022604  
1 1 1 17  5   8  o 64.776  1.4458 207.225  9.2441  213.823  12.647  199.656  13.545  65.780  1.9479 63.554  2.1593 2.226006       2.908056  
1 1 1 17  5   9  o 41.770  2.4445 86.576   10.034  76.799   13.887  97.258   14.516  39.194  3.6308 44.182  3.3536 -4.987728      4.942638  
1 1 1 17  5   10 o 90.879  1.9583 408.144  17.566  399.724  21.938  423.187  29.324  89.901  2.4724 92.433  3.2141 -2.532562      4.054975  
1 1 1 17  5   11 o 46.613  1.3467 107.301  6.1959  104.355  8.6921  110.344  8.8343  45.953  1.9164 47.254  1.8941 -1.300938      2.694443  
1 1 1 17  5   12 o 132.428 2.0927 866.943  27.354  856.664  37.745  878.314  39.699  131.538 2.9072 133.172 3.0202 -1.634766      4.192063  
1 1 1 17  5   13 o 180.675 2.7025 1615.84  48.195  1655.54  68.160  1576.15  68.155  182.619 3.7814 178.161 3.8757 4.458740       5.414808  
1 1 1 17  5   14 o 123.054 1.9499 748.563  23.683  752.950  32.963  743.882  34.050  123.317 2.7081 122.556 2.8148 0.7608795      3.906044  
1 1 1 17  5   15 o 162.832 2.3522 1312.08  37.805  1311.60  52.915  1312.57  54.032  162.590 3.2972 162.632 3.3660 -0.4159546E-01 4.711876  
1 1 1 17  5   16 o 71.158  1.7361 250.307  12.193  238.705  23.055  254.812  14.367  69.332  3.3690 71.774  2.0280 -2.442734      3.932293  
1 1 1 17  5   17 o 41.284  6.1662 87.811   24.356  91.644   34.958  84.194   33.954  41.406  8.8236 39.635  8.8973 1.770630       12.53068  
1 1 1 17  5   18 o 37.762  6.3222 74.044   22.731  84.643   32.446  63.828   31.856  39.771  8.5217 34.393  9.2031 5.378387       12.54262  
1 1 1 17  5   19 o 58.640  1.4174 169.948  8.2038  168.310  11.707  171.529  11.500  58.313  2.0339 58.873  1.9790 -0.5596657     2.837849  
1 1 1 17  5   20 o 108.227 2.2057 580.189  23.562  547.674  38.229  600.108  29.921  104.805 3.6956 109.956 2.7569 -5.151405      4.610635  
1 1 1 17  5   21 f 36.954  2.7440 68.182   9.9374  67.018   14.412  69.236   13.721  36.381  4.0839 37.046  3.8066 -0.6644440     5.582821  
1 1 1 17  6   0  f 98.016  2.3294 475.579  22.536  493.674  31.523  456.662  32.231  99.729  3.2024 95.881  3.4057 3.847260       4.674800  
1 1 1 17  6   1  o 130.978 1.9425 848.292  25.113  847.158  36.009  849.366  35.042  130.756 2.7901 130.941 2.7113 -0.1848755     3.890469  
1 1 1 17  6   2  o 139.880 2.5051 968.467  34.588  938.305  61.234  982.599  41.914  137.232 4.5207 140.804 3.0159 -3.571777      5.434351  
1 1 1 17  6   3  o 135.933 2.1745 913.753  29.176  904.920  39.629  924.206  43.113  135.156 2.9706 136.548 3.1988 -1.391678      4.365427  
1 1 1 17  6   4  o 186.236 2.6790 1716.60  49.246  1636.86  69.249  1798.19  70.045  181.579 3.8638 190.356 3.7280 -8.776794      5.369092  
1 1 1 17  6   5  f 44.899  2.0941 99.654   9.2803  99.706   12.454  99.589   13.917  44.792  2.8314 44.726  3.1730 0.6610107E-01  4.252652  
1 1 1 17  6   6  o 80.861  1.5781 322.973  12.595  337.832  17.154  305.593  18.552  82.671  2.1022 78.609  2.3910 4.061890       3.183733  
1 1 1 17  6   7  o 129.416 2.1528 827.909  27.500  844.600  38.174  809.901  39.650  130.620 2.9609 127.884 3.1412 2.735847       4.316689  
1 1 1 17  6   8  o 67.727  2.6336 226.917  17.605  0.0000   0.0000  226.917  17.605  ?       ?      67.727  2.6336 0.000000       2.633580  
1 1 1 17  6   9  o 109.296 1.9550 590.312  21.090  593.144  29.588  587.387  30.069  109.488 2.7379 108.949 2.7962 0.5387192      3.913378  
1 1 1 17  6   10 o 186.378 2.9097 1719.43  53.528  1735.99  76.102  1703.20  75.303  186.993 4.1232 185.220 4.1190 1.773285       5.828131  
1 1 1 17  6   11 o 113.194 2.2957 633.556  25.649  617.406  31.510  665.274  44.158  111.684 2.8584 115.790 3.8637 -4.106911      4.806085  
1 1 1 17  6   12 o 145.414 2.0671 1045.26  29.669  1003.36  41.311  1089.89  42.636  142.352 2.9402 148.368 2.9114 -6.015991      4.137760  
1 1 1 17  6   13 o 153.308 2.1824 1162.17  33.025  1174.33  46.159  1149.42  47.269  153.969 3.0373 152.307 3.1443 1.661972       4.371713  
1 1 1 17  6   14 o 74.794  1.4452 276.332  10.669  288.859  15.090  263.810  15.087  76.438  2.0001 73.043  2.0926 3.395416       2.894675  
1 1 1 17  6   15 o 94.523  1.7806 441.611  16.613  428.585  22.966  455.909  24.060  93.050  2.5005 95.966  2.5401 -2.915710      3.564378  
1 1 1 17  6   16 o 92.305  1.9113 421.310  17.414  409.533  23.525  435.587  25.901  90.928  2.6212 93.752  2.7990 -2.823708      3.834671  
1 1 1 17  6   17 o 115.048 6.3136 670.612  71.421  653.927  101.012 687.292  100.997 111.982 9.2208 114.983 8.9700 -3.000618      12.86402  
1 1 1 17  6   18 o 84.904  6.2204 366.613  51.766  386.897  73.253  346.379  73.163  86.024  8.7490 81.055  9.3141 4.968857       12.77880  
1 1 1 17  6   19 o 25.450  5.3771 33.798   13.084  27.273   15.215  52.327   25.637  22.856  6.4584 31.255  8.2057 -8.399500      10.44243  
1 1 1 17  6   20 o 32.827  0.9840 53.222   3.1883  54.711   3.9441  50.415   5.4159  33.278  1.2008 31.880  1.7276 1.397892       2.103942  
1 1 1 17  6   21 o 118.823 2.1173 699.320  24.832  684.422  34.748  714.868  35.499  117.337 3.0003 119.919 2.9991 -2.581779      4.242249  
1 1 1 17  7   0  o 118.030 6.3057 705.380  73.196  726.877  103.787 684.107  103.244 118.326 8.9528 114.614 9.2039 3.711700       12.83994  
1 1 1 17  7   1  o 93.906  6.1337 445.872  56.540  459.525  80.237  432.407  79.685  94.210  8.7278 91.251  8.9628 2.958855       12.51026  
1 1 1 17  7   2  o 107.440 2.4887 571.438  26.392  560.263  34.437  587.345  41.085  106.263 3.2833 108.697 3.8294 -2.433540      5.044247  
1 1 1 17  7   3  o 32.137  2.4646 51.409   7.7581  55.111   11.098  47.871   10.850  33.152  3.4416 30.843  3.6337 2.309248       5.004803  
1 1 1 17  7   4  o 95.111  1.7198 446.994  16.146  434.869  23.334  458.131  22.364  93.745  2.5218 96.236  2.3543 -2.491165      3.449960  
1 1 1 17  7   5  o 151.226 2.2938 1130.98  34.238  1153.72  48.388  1108.18  48.451  152.587 3.2128 149.531 3.2828 3.055725       4.593359  
1 1 1 17  7   6  o 80.327  1.8084 318.829  14.338  312.298  20.096  325.601  20.463  79.451  2.5625 81.126  2.5555 -1.675148      3.618965  
1 1 1 17  7   7  o 97.606  1.8529 470.761  17.851  471.731  25.229  469.788  25.261  97.646  2.6177 97.444  2.6264 0.2021866      3.708090  
1 1 1 17  7   8  o 24.851  1.1258 30.492   2.7614  34.636   3.9262  26.434   3.8845  26.438  1.5108 23.068  1.7184 3.370327       2.288114  
1 1 1 17  7   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  7   10 o 44.636  1.2721 98.384   5.6045  82.110   7.8431  115.364  8.0115  40.761  1.9494 48.324  1.6796 -7.562679      2.573217  
1 1 1 17  7   11 o 140.963 2.3348 982.617  32.485  980.640  46.351  984.525  45.541  140.673 3.3382 140.963 3.2732 -0.2895203     4.675182  
1 1 1 17  7   12 o 13.392  5.2779 5.0564   10.266  6.9322   14.679  3.2605   14.363  15.892  6.2959 14.748  6.0868 1.143802       8.757133  
1 1 1 17  7   13 o 64.091  1.9474 203.032  12.320  203.526  17.221  202.514  17.631  64.122  2.7209 63.957  2.7929 0.1647110      3.899239  
1 1 1 17  7   14 o 111.666 1.8309 616.284  20.180  595.750  28.226  637.755  28.863  109.707 2.6067 113.513 2.5761 -3.805656      3.664820  
1 1 1 17  7   15 o 6.0896  1.9134 1.8087   1.2816  -0.4546  1.6473  5.2792   2.0398  4.4393  1.9503 10.145  2.1060 -5.705556      2.870359  
1 1 1 17  7   16 o 95.447  1.8680 450.427  17.598  429.693  24.090  474.155  25.770  93.142  2.6203 97.835  2.6686 -4.693718      3.739968  
1 1 1 17  7   17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  7   18 o 71.891  6.2105 263.268  43.636  260.151  61.672  266.393  61.751  70.239  9.1101 71.144  8.9946 -0.9049683     12.80217  
1 1 1 17  7   19 o 22.409  4.1173 25.846   8.7712  18.305   12.054  34.334   12.788  19.011  5.8509 25.684  5.2221 -6.673454      7.842386  
1 1 1 17  7   20 o 47.711  1.4007 112.508  6.5961  97.096   8.9982  130.410  9.6975  44.285  2.0586 51.334  1.9139 -7.048977      2.810803  
1 1 1 17  7   21 o 103.239 2.0918 527.849  21.315  535.040  29.262  519.720  31.112  103.783 2.8565 102.231 3.0833 1.551476       4.203153  
1 1 1 17  7   22 o 50.879  2.4249 128.426  12.178  125.166  16.472  132.354  18.084  50.000  3.3572 51.371  3.5891 -1.370651      4.914482  
1 1 1 17  8   0  f 23.912  6.6018 29.865   16.094  28.730   24.068  30.784   21.645  24.420  8.3282 24.679  7.8760 -0.2584038     11.46253  
1 1 1 17  8   1  o 15.136  5.4509 9.7100   10.401  5.3997   15.934  12.910   13.730  15.913  6.4708 17.376  6.2621 -1.463304      9.004770  
1 1 1 17  8   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  8   3  o 38.695  4.8234 75.849   18.022  75.849   18.022  0.0000   0.0000  38.695  4.8234 ?       ?      0.000000       4.823412  
1 1 1 17  8   4  o 32.657  1.1260 52.661   3.6294  56.179   5.1124  49.087   5.1533  33.721  1.5360 31.474  1.6647 2.247192       2.265081  
1 1 1 17  8   5  o 228.868 3.3399 2597.19  75.448  2613.65  102.160 2577.45  111.905 229.150 4.5168 227.346 4.9869 1.803406       6.728319  
1 1 1 17  8   6  o 103.055 1.7988 524.812  18.297  517.897  25.874  531.730  25.878  102.306 2.5623 103.667 2.5291 -1.360786      3.600204  
1 1 1 17  8   7  o 132.666 2.2988 870.370  30.102  840.528  42.567  900.220  42.573  130.231 3.3115 134.795 3.1999 -4.563660      4.604909  
1 1 1 17  8   8  o 138.125 2.1967 943.262  29.949  959.887  41.805  925.733  42.926  139.222 3.0422 136.701 3.1814 2.521317       4.401809  
1 1 1 17  8   9  o 68.977  1.7074 235.058  11.625  223.959  18.596  242.178  14.893  67.267  2.8008 69.991  2.1558 -2.723938      3.534400  
1 1 1 17  8   10 o 57.935  2.3008 165.977  13.157  165.977  13.157  0.0000   0.0000  57.935  2.3008 ?       ?      0.000000       2.300804  
1 1 1 17  8   11 o 61.853  1.2035 188.915  7.3477  195.119  10.394  182.716  10.389  62.844  1.6756 60.812  1.7308 2.032345       2.408998  
1 1 1 17  8   12 o 85.984  1.7070 365.290  14.487  353.587  20.749  376.424  20.238  84.541  2.4865 87.240  2.3502 -2.698814      3.421446  
1 1 1 17  8   13 o 52.288  2.2455 135.212  11.589  125.113  15.458  148.175  17.512  50.150  3.1386 54.577  3.2659 -4.426540      4.529502  
1 1 1 17  8   14 o 44.659  2.3086 98.924   10.142  93.898   13.806  104.815  14.946  43.398  3.2467 45.854  3.3249 -2.456017      4.647107  
1 1 1 17  8   15 o 61.273  2.0277 185.653  12.263  188.718  16.578  181.949  18.225  61.728  2.7209 60.506  3.0615 1.222092       4.095882  
1 1 1 17  8   16 o 121.418 1.9113 728.972  22.905  710.205  32.452  747.604  32.334  119.722 2.7462 122.848 2.6666 -3.125725      3.827863  
1 1 1 17  8   17 o 89.892  6.1830 409.579  54.527  421.453  77.216  397.768  77.010  90.004  8.8045 87.281  9.0716 2.723259       12.64177  
1 1 1 17  8   18 o 97.895  9.0110 501.515  86.092  501.515  86.092  0.0000   0.0000  97.895  9.0110 ?       ?      0.000000       9.010988  
1 1 1 17  8   19 o 42.558  2.6097 90.153   10.909  84.517   15.210  96.124   15.656  41.002  3.8016 43.777  3.6567 -2.774506      5.274811  
1 1 1 17  8   20 o 91.210  2.8391 413.074  25.560  419.822  35.280  405.620  37.081  91.707  3.8976 90.069  4.1711 1.638603       5.708686  
1 1 1 17  8   21 o 78.034  1.4204 301.004  10.940  285.979  15.568  315.665  15.378  75.991  2.0755 79.854  1.9511 -3.862869      2.848597  
1 1 1 17  8   22 o 58.425  2.2782 169.235  13.138  151.313  17.785  190.757  19.490  55.013  3.2905 61.810  3.2056 -6.797001      4.593857  
1 1 1 17  9   0  o 133.862 6.4521 907.401  85.250  893.024  120.910 921.612  120.215 130.636 9.4407 132.890 9.2221 -2.254135      13.19749  
1 1 1 17  9   1  o 105.872 6.2263 567.992  64.778  582.491  92.022  553.751  91.203  105.813 8.8934 103.056 9.0580 2.756721       12.69411  
1 1 1 17  9   2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  9   3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  9   4  o 28.024  1.1563 38.784   3.1983  42.770   4.4770  34.629   4.5706  29.380  1.5493 26.410  1.7635 2.969995       2.347380  
1 1 1 17  9   5  o 99.825  1.8488 492.552  18.216  476.628  25.552  509.011  25.977  98.119  2.6384 101.402 2.5955 -3.283546      3.700988  
1 1 1 17  9   6  o 131.103 2.1012 849.867  27.190  849.758  38.382  849.977  38.525  130.971 2.9690 130.986 2.9797 -0.1515198E-01 4.206440  
1 1 1 17  9   7  o 80.429  1.7949 319.670  14.249  331.033  20.160  308.327  20.142  81.795  2.4971 78.933  2.5853 2.862419       3.594347  
1 1 1 17  9   8  o 204.657 3.3095 2076.11  66.854  2066.62  99.002  2084.05  90.641  203.652 4.9252 204.676 4.4867 -1.023788      6.662403  
1 1 1 17  9   9  o 68.676  1.3485 232.930  9.1410  223.971  12.043  245.109  14.041  67.323  1.8123 70.417  2.0202 -3.094322      2.713926  
1 1 1 17  9   10 o 96.901  1.8317 464.013  17.519  461.026  25.034  466.880  24.525  96.521  2.6277 97.139  2.5579 -0.6178284     3.667091  
1 1 1 17  9   11 o 182.308 4.0865 1651.22  73.534  1651.22  73.534  0.0000   0.0000  182.308 4.0865 ?       ?      0.000000       4.086504  
1 1 1 17  9   12 o 13.449  0.8741 8.9666   1.1540  11.763   1.5809  5.7764   1.6885  15.400  1.0463 10.688  1.6541 4.711967       1.957190  
1 1 1 17  9   13 o 81.123  1.6562 325.166  13.261  301.886  18.049  352.474  19.549  78.119  2.3409 84.410  2.3464 -6.291458      3.314376  
1 1 1 17  9   14 o 80.615  1.6636 321.132  13.237  313.004  18.222  330.213  19.260  79.540  2.3210 81.692  2.3886 -2.151299      3.330596  
1 1 1 17  9   15 o 53.598  1.3887 141.911  7.3466  135.300  10.211  149.005  10.578  52.309  1.9776 54.896  1.9523 -2.586750      2.778937  
1 1 1 17  9   16 o 40.280  1.2088 80.136   4.8060  76.472   6.7726  83.851   6.8210  39.332  1.7445 41.188  1.6778 -1.856411      2.420428  
1 1 1 17  9   17 o 28.111  6.5657 41.549   17.888  52.055   25.103  30.712   25.496  31.289  8.0742 25.186  8.5717 6.103205       11.77565  
1 1 1 17  9   18 o 79.717  7.0984 326.365  55.268  328.951  96.065  325.085  67.571  76.618  13.178 78.728  8.8489 -2.110001      15.87336  
1 1 1 17  9   19 o 54.756  1.5366 148.222  8.3045  140.594  11.541  156.411  11.959  53.282  2.1945 56.202  2.1557 -2.920696      3.076225  
1 1 1 17  9   20 o 46.116  1.3057 105.093  5.9434  97.583   8.3831  112.684  8.4275  44.404  1.9127 47.725  1.7890 -3.320641      2.618983  
1 1 1 17  9   21 o 76.890  2.4533 293.201  18.619  350.195  68.913  288.713  19.338  81.384  8.7143 76.281  2.5684 5.102661       9.084924  
1 1 1 17  9   22 o ?       ?      -7.5379  1.2573  -7.5590  1.2610  -3.9613  16.439  ?       ?      13.909  6.1339 0.000000       6.133936  
1 1 1 17  10  0  o 57.293  1.7935 162.338  10.142  167.188  18.445  160.236  12.143  57.916  3.2396 56.894  2.1623 1.022652       3.894983  
1 1 1 17  10  1  o 109.683 7.3387 616.357  78.991  610.406  96.955  628.104  136.226 108.048 9.1780 106.527 13.242 1.521049       16.11132  
1 1 1 17  10  2  o 73.762  13.310 303.771  93.337  303.771  93.337  0.0000   0.0000  73.762  13.310 ?       ?      0.000000       13.30981  
1 1 1 17  10  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  10  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  10  5  o 66.729  1.5878 220.028  10.458  217.135  13.332  224.657  16.862  66.261  2.0384 67.361  2.5360 -1.099625      3.253714  
1 1 1 17  10  6  o 91.087  1.6335 409.975  14.686  398.280  20.767  421.675  20.772  89.719  2.3451 92.323  2.2795 -2.603928      3.270415  
1 1 1 17  10  7  o 48.895  1.5694 118.114  7.5738  120.479  8.8824  111.815  14.497  49.372  1.8227 47.395  3.1164 1.977135       3.610250  
1 1 1 17  10  8  o 76.900  1.9274 292.317  14.630  282.079  20.572  302.792  20.809  75.478  2.7614 78.206  2.6958 -2.728004      3.859076  
1 1 1 17  10  9  o 164.191 2.5425 1334.12  41.205  1364.98  56.407  1298.80  60.336  165.890 3.4449 161.736 3.7795 4.153931       5.113917  
1 1 1 17  10  10 o 71.627  1.6983 253.504  12.007  244.706  14.982  269.300  20.075  70.347  2.1577 73.751  2.7578 -3.404671      3.501582  
1 1 1 17  10  11 o 70.579  1.4550 246.062  10.136  234.861  13.138  262.536  15.932  68.930  1.9310 72.860  2.2154 -3.929871      2.938778  
1 1 1 17  10  12 o 43.755  1.8102 94.621   7.8178  94.621   7.8178  0.0000   0.0000  43.755  1.8102 ?       ?      0.000000       1.810172  
1 1 1 17  10  13 o 65.403  2.0235 211.497  13.062  198.502  17.678  227.124  19.386  63.305  2.8292 67.709  2.9008 -4.404026      4.051997  
1 1 1 17  10  14 o 89.468  1.9553 395.765  17.267  377.420  23.902  415.786  24.970  87.288  2.7742 91.619  2.7612 -4.330818      3.914170  
1 1 1 17  10  15 o 29.583  3.5503 44.083   10.160  45.751   13.688  42.037   15.160  29.909  4.7990 28.482  5.5923 1.427092       7.369162  
1 1 1 17  10  16 o 111.888 1.9583 619.162  21.627  623.589  30.510  614.691  30.661  112.169 2.7557 111.360 2.7895 0.8089752      3.921115  
1 1 1 17  10  17 o 103.407 6.2123 542.130  63.112  547.426  89.113  536.800  89.396  102.507 8.8957 101.425 9.0241 1.082611       12.67153  
1 1 1 17  10  18 o 17.007  6.3406 11.398   14.269  11.398   22.561  11.398   18.423  19.617  7.7946 18.339  7.1157 1.278290       10.55408  
1 1 1 17  10  19 o 113.129 2.1379 633.743  23.872  613.346  33.065  655.951  34.501  111.108 3.0150 114.896 3.0423 -3.787231      4.283165  
1 1 1 17  10  20 o 54.480  1.7459 146.830  9.3882  144.499  10.949  153.304  18.245  54.021  2.0534 55.391  3.3529 -1.370483      3.931690  
1 1 1 17  10  21 o 76.694  1.8947 291.148  14.343  287.514  18.202  297.103  23.297  76.142  2.4219 77.291  3.0538 -1.148872      3.897564  
1 1 1 17  10  22 o 18.132  6.2739 15.404   13.675  25.555   19.808  6.1618   18.902  22.638  7.5561 17.098  7.0108 5.540255       10.30760  
1 1 1 17  11  0  o 13.244  4.2369 8.5751   6.2610  5.9950   9.4696  10.579   8.3454  13.303  5.1184 14.849  4.9021 -1.545218      7.087221  
1 1 1 17  11  1  o 24.134  3.2462 29.456   7.5368  25.334   11.629  32.441   9.8968  22.017  5.3937 25.180  4.1249 -3.163563      6.790169  
1 1 1 17  11  2  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  11  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  11  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  11  5  o 59.321  1.2635 173.821  7.3978  184.347  11.550  166.500  9.6329  61.055  1.9166 58.038  1.6816 3.017044       2.549718  
1 1 1 17  11  6  o 18.828  1.3432 17.600   2.4797  9.2004   13.186  17.908   2.5248  15.969  6.0645 18.991  1.3558 -3.022120      6.214228  
1 1 1 17  11  7  o 112.734 2.0333 628.494  22.625  618.088  31.615  639.419  32.393  111.684 2.8679 113.591 2.8892 -1.907356      4.070915  
1 1 1 17  11  8  o 147.775 2.4551 1080.81  35.810  1065.01  49.079  1098.80  52.367  146.499 3.3941 148.763 3.5664 -2.263870      4.923353  
1 1 1 17  11  9  o 168.648 2.5244 1407.85  42.022  1387.73  59.236  1428.22  59.623  167.187 3.5896 169.616 3.5613 -2.429199      5.056522  
1 1 1 17  11  10 o 143.899 2.2587 1024.33  32.081  1023.69  44.924  1024.99  45.827  143.692 3.1675 143.770 3.2294 -0.7783508E-01 4.523516  
1 1 1 17  11  11 o 32.724  3.2272 53.610   10.288  49.555   13.874  58.564   15.334  31.201  4.6469 33.963  4.7002 -2.761276      6.609493  
1 1 1 17  11  12 o 34.066  1.1640 57.310   3.9139  64.394   5.5185  50.140   5.5519  36.101  1.5487 31.801  1.7758 4.300333       2.356266  
1 1 1 17  11  13 o 46.244  1.7319 105.692  7.9053  118.596  16.683  101.956  8.9772  48.753  3.4899 45.408  2.0030 3.345646       4.023869  
1 1 1 17  11  14 o 69.307  2.0391 237.563  13.949  230.245  19.426  245.353  20.043  68.158  2.8876 70.358  2.8862 -2.200760      4.082664  
1 1 1 17  11  15 f 51.600  2.3915 131.816  12.180  135.492  17.182  128.102  17.269  52.130  3.3572 50.664  3.4743 1.466133       4.831330  
1 1 1 17  11  16 o 63.132  1.7386 197.053  10.834  186.772  15.331  207.307  15.312  61.402  2.5296 64.702  2.3976 -3.299984      3.485306  
1 1 1 17  11  17 o 43.298  6.3601 96.789   26.371  96.472   37.085  97.112   37.506  42.350  9.1399 42.470  9.2122 -0.1197777     12.97706  
1 1 1 17  11  18 o 56.971  6.1864 166.275  34.229  155.348  48.171  177.417  48.646  53.798  9.4147 57.849  8.7966 -4.051853      12.88475  
1 1 1 17  11  19 o 52.735  1.8322 137.598  9.5368  131.657  11.305  152.257  17.759  51.553  2.2217 55.224  3.2727 -3.670971      3.955591  
1 1 1 17  11  20 o 117.723 2.0904 686.372  24.290  688.442  34.341  684.299  34.360  117.693 2.9562 117.335 2.9668 0.3575974      4.188209  
1 1 1 17  11  21 o 65.691  2.3186 213.946  15.034  217.798  23.005  211.075  19.861  65.986  3.5451 65.133  3.0894 0.8526306      4.702336  
1 1 1 17  11  22 o 55.186  2.8281 151.803  15.353  170.099  27.939  143.887  18.377  57.860  4.9394 53.583  3.4937 4.277473       6.050085  
1 1 1 17  12  1  o 126.957 1.9151 797.537  23.998  804.823  33.246  789.613  34.675  127.385 2.6442 126.142 2.7850 1.243576       3.840294  
1 1 1 17  12  2  o 53.826  6.1902 148.450  32.289  155.205  46.412  142.114  44.949  54.000  9.0263 51.567  9.1671 2.433346       12.86509  
1 1 1 17  12  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  12  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  12  5  o 15.226  6.1753 5.1139   14.468  9.8783   18.095  -3.3292  24.088  17.858  7.0170 17.246  7.5201 0.6128883      10.28543  
1 1 1 17  12  6  o 53.200  2.1881 140.070  11.490  129.716  16.165  150.641  16.334  51.012  3.2272 55.020  3.0192 -4.007832      4.419320  
1 1 1 17  12  7  o 107.013 2.2888 566.819  24.175  604.215  41.363  547.417  29.794  110.204 3.8026 105.077 2.8727 5.126694       4.765746  
1 1 1 17  12  8  o 28.185  3.7400 40.175   10.148  45.365   14.371  35.013   14.332  29.714  5.0825 25.914  5.7531 3.799601       7.676571  
1 1 1 17  12  9  f 97.587  1.7995 470.778  17.333  473.290  23.615  467.843  25.522  97.777  2.4469 97.186  2.6606 0.5916367      3.614698  
1 1 1 17  12  10 o 82.968  1.9460 340.383  15.937  332.846  22.450  348.039  22.626  81.963  2.7750 83.817  2.7349 -1.854462      3.896224  
1 1 1 17  12  11 o 51.796  1.3776 132.530  7.0428  122.521  9.8488  143.005  10.075  49.775  2.0047 53.781  1.8980 -4.006001      2.760624  
1 1 1 17  12  12 o 98.130  1.9671 476.188  19.053  476.760  27.002  475.619  26.887  98.090  2.7889 97.974  2.7804 0.1162567      3.938097  
1 1 1 17  12  13 o 33.183  4.7765 56.089   15.194  0.0000   0.0000  56.089   15.194  ?       ?      33.183  4.7765 0.000000       4.776535  
1 1 1 17  12  14 o 60.898  1.5016 183.253  9.0256  177.912  12.507  189.056  13.037  59.967  2.1131 61.814  2.1368 -1.847752      3.005192  
1 1 1 17  12  15 o 110.778 2.0182 607.095  22.067  574.921  30.211  643.894  32.310  107.675 2.8426 113.945 2.8728 -6.270157      4.041441  
1 1 1 17  12  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  12  17 o 139.624 6.4170 989.385  88.436  978.320  124.959 1000.49  125.175 136.501 9.3306 138.129 9.2344 -1.627609      13.12761  
1 1 1 17  12  18 o 48.022  2.5239 114.660  11.921  122.010  16.931  107.432  16.789  49.377  3.4965 46.277  3.7066 3.100216       5.095504  
1 1 1 17  12  19 o 21.969  1.0054 23.838   2.1802  26.063   3.2995  22.115   2.9045  22.914  1.4666 21.106  1.4022 1.808578       2.029055  
1 1 1 17  12  20 o 128.740 2.2602 821.468  28.720  813.307  41.795  828.768  39.532  127.785 3.3137 129.067 3.1031 -1.281563      4.539808  
1 1 1 17  12  21 o 60.932  1.5296 183.608  9.1996  180.565  11.840  188.243  14.613  60.382  1.9866 61.602  2.4034 -1.220490      3.118171  
1 1 1 17  12  22 o 73.183  1.7917 265.130  12.942  261.176  21.053  267.531  16.408  72.445  2.9442 73.446  2.2634 -1.000481      3.713663  
1 1 1 17  13  1  o 66.985  6.3258 230.258  41.329  223.381  59.408  236.707  57.532  64.402  9.6423 66.689  8.9675 -2.286179      13.16777  
1 1 1 17  13  2  f 75.027  2.2927 278.879  16.979  283.034  17.739  233.506  58.618  75.573  2.3781 66.243  9.2148 9.330589       9.516689  
1 1 1 17  13  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  13  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  13  5  o 33.533  4.4392 57.166   14.332  60.111   18.323  52.524   23.003  34.116  5.6383 31.430  7.5164 2.685158       9.396103  
1 1 1 17  13  6  o 61.192  1.6067 185.105  9.7040  195.062  12.408  169.421  15.572  62.787  2.0021 58.453  2.6990 4.334160       3.360535  
1 1 1 17  13  7  o 61.605  2.3131 187.927  14.065  182.220  22.982  191.344  17.784  60.359  3.8780 62.103  2.9013 -1.744026      4.843209  
1 1 1 17  13  8  o 63.711  1.4638 200.584  9.2049  197.998  13.250  202.997  12.797  63.254  2.1222 64.055  2.0241 -0.8013916     2.932693  
1 1 1 17  13  9  o 71.914  1.9700 255.812  13.983  249.431  19.554  262.492  20.005  70.930  2.7930 72.764  2.7854 -1.834244      3.944494  
1 1 1 17  13  10 o 138.621 2.3625 951.389  32.325  961.658  46.188  941.532  45.254  139.139 3.3632 137.684 3.3299 1.454895       4.732815  
1 1 1 17  13  11 o 81.220  1.8974 326.227  15.211  331.630  19.679  318.209  23.973  81.835  2.4363 80.087  3.0327 1.747681       3.890082  
1 1 1 17  13  12 o 63.210  1.5080 197.443  9.4086  183.591  13.006  212.651  13.628  60.910  2.1633 65.558  2.1060 -4.648235      3.019123  
1 1 1 17  13  13 o 52.955  1.4412 138.567  7.5332  147.139  10.453  129.303  10.866  54.542  1.9417 51.116  2.1537 3.425724       2.899779  
1 1 1 17  13  14 o 83.902  2.5372 348.794  21.012  0.0000   0.0000  348.794  21.012  ?       ?      83.902  2.5372 0.000000       2.537245  
1 1 1 17  13  15 o 63.772  1.8136 201.135  11.416  201.829  13.958  199.733  19.840  63.848  2.2149 63.410  3.1699 0.4378662      3.867049  
1 1 1 17  13  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  13  17 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  13  18 o 82.943  2.1124 340.717  17.294  347.885  34.399  338.292  20.006  83.281  4.1983 82.597  2.4540 0.6834717      4.862880  
1 1 1 17  13  19 o 101.687 2.4624 512.902  24.715  560.549  33.152  453.291  37.082  106.131 3.1648 95.219  3.9456 10.91167       5.057977  
1 1 1 17  13  20 o 30.949  1.2401 47.334   3.7882  33.354   5.4975  59.975   5.2273  25.853  2.1746 34.825  1.5207 -8.972197      2.653558  
1 1 1 17  13  21 o 36.057  3.3168 65.348   11.672  71.625   18.198  60.960   15.213  37.337  5.0691 34.528  4.5768 2.808899       6.829551  
1 1 1 17  13  22 o 99.743  2.5745 494.272  25.346  499.033  33.475  487.877  38.799  99.978  3.3923 98.639  3.9851 1.338890       5.233424  
1 1 1 17  14  2  o 45.899  6.5020 109.459  28.633  110.883  41.634  108.182  39.441  44.971  9.6672 44.570  9.2678 0.4013138      13.39204  
1 1 1 17  14  3  o 88.787  6.2151 402.310  54.123  399.874  77.085  404.679  76.011  86.905  9.1226 87.558  8.9198 -0.6525879     12.75869  
1 1 1 17  14  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  14  5  o 98.250  3.7474 481.188  36.341  481.188  36.341  0.0000   0.0000  98.250  3.7474 ?       ?      0.000000       3.747411  
1 1 1 17  14  6  o 58.999  1.5806 172.093  9.2044  184.667  11.049  143.585  16.638  61.098  1.8322 53.659  3.1552 7.438854       3.648620  
1 1 1 17  14  7  o 68.698  1.4496 233.253  9.8292  224.101  12.576  247.619  15.756  67.302  1.8932 70.709  2.2576 -3.406425      2.946329  
1 1 1 17  14  8  o 122.062 2.1071 737.518  25.386  704.067  35.152  773.984  36.702  119.081 2.9907 124.857 2.9781 -5.775856      4.220604  
1 1 1 17  14  9  o 59.391  1.7605 174.438  10.320  173.077  12.218  177.829  19.278  59.134  2.0934 59.726  3.2827 -0.5918198     3.893362  
1 1 1 17  14  10 o 85.895  2.2631 365.334  19.187  368.283  23.662  359.672  32.788  86.168  2.7821 84.946  3.9106 1.221611       4.799218  
1 1 1 17  14  11 o 82.005  1.8797 332.641  15.215  328.754  19.017  339.555  25.361  81.470  2.3649 82.689  3.1073 -1.218895      3.904906  
1 1 1 17  14  12 o 54.772  1.2091 148.197  6.5365  127.151  10.712  160.680  8.2505  50.683  2.1414 57.020  1.4660 -6.337143      2.595117  
1 1 1 17  14  13 o 28.846  3.9096 42.215   10.845  47.721   15.102  36.355   15.582  30.415  5.2185 26.307  6.1167 4.107983       8.040265  
1 1 1 17  14  14 o 33.189  3.4916 55.405   11.266  52.904   16.027  57.849   15.841  32.046  5.2488 33.623  4.9186 -1.577053      7.193286  
1 1 1 17  14  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  14  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  14  17 o 60.344  2.3972 180.531  14.278  180.531  14.278  0.0000   0.0000  60.344  2.3972 ?       ?      0.000000       2.397231  
1 1 1 17  14  18 o 86.854  1.6092 373.102  13.795  389.609  17.082  342.153  23.391  88.709  1.9509 82.980  2.8558 5.729019       3.458614  
1 1 1 17  14  19 o 63.472  1.6974 199.328  10.634  203.229  15.600  195.942  14.534  63.999  2.4696 62.858  2.3426 1.140869       3.403885  
1 1 1 17  14  20 o 13.942  5.3885 6.5810   10.532  -7.5047  18.386  13.461   12.850  14.116  6.3390 17.215  6.0735 -3.098701      8.778954  
1 1 1 17  14  21 o 18.979  1.2978 17.888   2.4166  21.434   3.6230  15.047   3.2435  20.731  1.7880 17.323  1.9297 3.408352       2.630770  
1 1 1 17  14  22 f 79.544  2.2197 313.913  17.428  317.685  24.337  309.942  24.968  79.825  3.0889 78.814  3.2096 1.010620       4.454502  
1 1 1 17  15  4  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  15  5  f 35.879  3.7202 64.877   12.983  64.828   22.690  64.900   15.831  35.075  6.7995 35.692  4.6007 -0.6167030     8.209739  
1 1 1 17  15  6  o 139.168 3.2474 963.467  44.607  963.467  44.607  0.0000   0.0000  139.168 3.2474 ?       ?      0.000000       3.247351  
1 1 1 17  15  7  o 94.641  2.0883 443.489  19.508  428.593  31.653  452.613  24.772  92.775  3.4566 95.519  2.6275 -2.743881      4.341856  
1 1 1 17  15  8  o 92.767  1.8490 425.788  16.931  428.675  22.795  422.235  25.285  92.985  2.4837 92.231  2.7775 0.7540817      3.725990  
1 1 1 17  15  9  o 122.530 2.1382 743.449  25.860  738.382  35.360  749.276  37.916  121.929 2.9381 122.773 3.1289 -0.8439789     4.292125  
1 1 1 17  15  10 o 65.714  1.8401 213.649  11.935  212.186  14.449  216.791  21.175  65.450  2.2367 66.023  3.2494 -0.5727234     3.944787  
1 1 1 17  15  11 o 49.228  1.3556 119.759  6.5870  129.905  9.0599  108.382  9.5938  51.245  1.7912 46.789  2.0774 4.456284       2.742954  
1 1 1 17  15  12 o 128.812 2.2635 821.954  28.779  813.959  40.672  829.969  40.728  127.939 3.2208 129.199 3.1937 -1.260269      4.535764  
1 1 1 17  15  13 f 86.344  2.1626 369.212  18.430  345.356  25.811  394.029  26.326  83.348  3.1374 89.057  2.9949 -5.708626      4.337385  
1 1 1 17  15  14 o 135.534 2.3307 910.324  31.179  963.303  44.663  859.961  43.547  139.150 3.2519 131.440 3.3566 7.710068       4.673451  
1 1 1 17  15  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  15  16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  15  17 o 69.021  2.3329 236.204  15.893  254.059  25.295  224.558  20.429  71.263  3.6080 67.181  3.0808 4.081528       4.744361  
1 1 1 17  15  18 o 74.587  2.1890 275.738  16.115  267.651  24.161  282.219  21.629  73.277  3.3405 75.335  2.9088 -2.058266      4.429475  
1 1 1 17  15  19 o 68.248  1.6997 230.493  11.450  270.023  16.497  193.755  15.904  73.792  2.2650 62.464  2.5795 11.32829       3.432784  
1 1 1 17  15  20 o 82.919  2.6230 341.615  21.468  357.868  28.979  321.846  31.960  84.657  3.4681 80.013  4.0601 4.643883       5.339666  
1 1 1 17  15  21 o 21.022  1.1844 21.911   2.4475  25.884   3.6790  18.756   3.2781  22.810  1.6451 19.388  1.7312 3.422455       2.388172  
1 1 1 17  15  22 o 53.365  3.3059 142.835  17.327  156.409  23.408  126.383  25.771  55.552  4.3027 49.535  5.3563 6.017181       6.870401  
1 1 1 17  16  5  o 57.967  2.6590 166.852  15.214  178.001  26.772  161.535  18.489  59.342  4.6069 56.847  3.3095 2.494831       5.672406  
1 1 1 17  16  6  o 72.873  1.7992 262.787  12.941  275.814  19.600  252.720  17.231  74.538  2.6641 71.382  2.4456 3.155731       3.616380  
1 1 1 17  16  7  o 36.735  6.4005 70.601   22.364  70.601   22.364  0.0000   0.0000  36.735  6.4005 ?       ?      0.000000       6.400527  
1 1 1 17  16  8  o 109.538 2.0308 594.119  21.957  597.628  33.056  591.349  29.374  109.633 3.0547 109.138 2.7268 0.4948730      4.094684  
1 1 1 17  16  9  o 46.029  1.3854 104.721  6.2943  102.755  8.9925  106.610  8.8131  45.557  1.9998 46.409  1.9239 -0.8521996     2.775057  
1 1 1 17  16  10 o 111.251 2.2176 613.242  24.351  623.738  36.039  604.424  33.033  111.942 3.2618 110.258 3.0353 1.683914       4.455549  
1 1 1 17  16  11 o 46.713  1.2503 107.828  5.7648  139.397  8.2464  77.654   8.0622  53.093  1.5736 39.545  2.0727 13.54869       2.602383  
1 1 1 17  16  12 o 108.767 2.2338 586.223  23.982  605.472  35.531  570.117  32.502  110.285 3.2641 107.069 3.0755 3.216537       4.484692  
1 1 1 17  16  13 o 26.125  0.9673 33.708   2.4942  33.845   3.1519  33.480   4.0796  26.171  1.2202 25.969  1.5994 0.2019634      2.011648  
1 1 1 17  16  14 o 70.200  1.8724 243.926  12.974  255.744  18.377  232.184  18.319  71.783  2.5937 68.378  2.7142 3.404655       3.754173  
1 1 1 17  16  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  16  16 o 51.109  2.1541 129.449  10.867  129.449  10.867  0.0000   0.0000  51.109  2.1541 ?       ?      0.000000       2.154097  
1 1 1 17  16  17 o 63.517  2.3798 200.149  14.920  200.149  14.920  0.0000   0.0000  63.517  2.3798 ?       ?      0.000000       2.379807  
1 1 1 17  16  18 o 53.390  2.4854 141.507  13.097  138.148  20.812  143.710  16.853  52.347  4.0597 53.608  3.1997 -1.260925      5.169021  
1 1 1 17  16  19 f 35.232  3.3549 62.488   11.526  76.932   18.791  53.777   14.593  38.695  5.0396 32.339  4.7102 6.356232       6.898102  
1 1 1 17  16  20 o 32.022  1.3099 50.697   4.1402  46.722   5.9184  54.508   5.7937  30.644  1.9671 33.131  1.7782 -2.487404      2.651710  
1 1 1 17  16  21 o 58.346  3.2262 170.493  18.507  228.782  31.594  140.044  22.835  67.052  4.8056 52.506  4.4479 14.54549       6.548094  
1 1 1 17  17  6  o 30.175  10.233 47.797   36.337  0.0000   0.0000  47.797   36.337  ?       ?      30.175  10.233 0.000000       10.23327  
1 1 1 17  17  7  o 61.439  1.9523 186.939  11.839  238.483  23.360  169.123  13.734  69.147  3.4227 58.389  2.3830 10.75820       4.170547  
1 1 1 17  17  8  o 105.343 2.1805 549.968  22.673  558.011  34.599  543.914  30.015  105.820 3.3125 104.591 2.9075 1.229538       4.407504  
1 1 1 17  17  9  f 52.313  1.4862 135.319  7.6739  153.463  10.981  117.998  10.729  55.666  1.9985 48.792  2.2278 6.874641       2.992806  
1 1 1 17  17  10 o 43.353  3.2204 94.092   13.682  100.981  21.435  89.356   17.774  44.502  4.9645 41.992  4.3513 2.509293       6.601570  
1 1 1 17  17  11 o 111.156 2.2505 612.482  24.691  615.622  36.357  609.794  33.638  111.154 3.3138 110.699 3.0786 0.4551926      4.523188  
1 1 1 17  17  12 o 32.516  1.6430 52.437   5.2562  37.587   20.538  53.478   5.4372  26.556  7.5035 32.834  1.6834 -6.278248      7.689989  
1 1 1 17  17  13 o 88.212  1.9311 385.317  16.814  365.686  24.243  403.511  23.340  85.764  2.8639 90.144  2.6232 -4.379539      3.883657  
1 1 1 17  17  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  17  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  17  16 o 51.653  1.7295 132.051  8.8174  132.715  10.193  130.077  17.576  51.758  1.9952 50.920  3.5187 0.8384361      4.045012  
1 1 1 17  17  17 o 28.114  1.1736 39.061   3.2567  39.067   4.7291  39.054   4.4915  28.042  1.7168 28.047  1.6295 -0.4501343E-02 2.366994  
1 1 1 17  17  18 o 52.600  2.1721 137.211  11.277  135.335  11.615  168.038  47.086  52.230  2.2531 55.608  8.8773 -3.378124      9.158785  
1 1 1 17  17  19 o 24.729  4.2437 31.585   9.9851  29.374   15.895  33.026   12.833  23.495  6.5880 25.034  5.3557 -1.538843      8.490324  
1 1 1 17  17  20 f 38.830  0.9872 74.497   3.7835  86.970   5.4217  62.657   5.2823  41.937  1.3098 35.585  1.5039 6.352612       1.994325  
1 1 1 17  17  21 o 70.069  2.4955 244.191  17.259  253.369  25.343  236.253  23.570  70.979  3.6295 68.581  3.4935 2.398148       5.037657  
1 1 1 17  18  8  o 22.897  1.2189 25.987   2.7450  22.023   3.9649  29.636   3.8040  20.997  1.9349 24.423  1.5866 -3.426111      2.502249  
1 1 1 17  18  9  o 30.002  1.2235 44.489   3.6232  35.237   5.1848  53.319   5.0653  26.595  1.9895 32.830  1.5632 -6.234396      2.530184  
1 1 1 17  18  10 o 69.274  2.4744 238.239  16.919  254.543  26.192  226.565  22.163  71.242  3.7378 67.394  3.3318 3.848450       5.007175  
1 1 1 17  18  11 o 25.465  1.6471 32.220   4.1179  28.838   20.741  32.359   4.2016  23.730  7.7231 25.517  1.6776 -1.787256      7.903207  
1 1 1 17  18  12 o 76.895  2.4251 293.477  18.406  304.425  28.272  285.423  24.248  78.031  3.6707 75.663  3.2469 2.368271       4.900665  
1 1 1 17  18  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  18  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  18  15 o 65.300  2.6980 212.006  17.390  183.867  26.113  234.430  23.311  60.287  4.4191 68.419  3.4631 -8.131664      5.614355  
1 1 1 17  18  16 o 35.566  1.5811 62.591   5.5506  63.580   5.8885  54.712   16.625  35.841  1.6645 32.412  5.3857 3.428497       5.637030  
1 1 1 17  18  17 o 33.746  3.4886 57.530   11.452  58.531   21.214  57.118   13.605  33.100  6.7228 33.450  4.2144 -0.3498650     7.934525  
1 1 1 17  18  18 o 35.251  1.1060 61.413   3.8482  78.897   5.6022  45.792   5.2951  39.937  1.4212 30.355  1.7750 9.582279       2.273859  
1 1 1 17  18  19 f 77.959  1.9943 301.381  15.346  315.628  18.203  266.384  28.530  79.715  2.3135 72.671  3.9928 7.044441       4.614634  
1 1 1 17  18  20 o 46.376  3.3036 108.158  15.024  98.808   25.767  112.973  18.492  43.310  6.2048 47.199  4.0073 -3.888718      7.386285  
1 1 1 17  19  11 o 13.903  1.7460 9.7201   2.3430  11.521   20.850  9.6971   2.3580  18.901  7.4985 13.884  1.7602 5.017146       7.702367  
1 1 1 17  19  12 o 79.325  2.4292 312.560  19.020  297.061  28.763  324.603  25.355  76.979  3.7855 80.652  3.1851 -3.672546      4.947215  
1 1 1 17  19  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  19  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 17  19  15 o 20.526  6.3236 21.870   14.076  23.576   21.477  20.586   18.637  22.169  7.8487 20.782  7.3163 1.387371       10.72984  
1 1 1 17  19  16 o 51.205  3.5397 131.906  17.780  131.549  31.240  132.077  21.624  50.054  6.4752 50.997  4.3372 -0.9436493     7.793508  
1 1 1 17  19  17 o 50.881  2.7235 129.287  13.628  152.941  21.414  113.186  17.668  55.004  3.9710 47.324  3.8148 7.679993       5.506472  
1 1 1 17  19  18 o 28.396  1.5473 40.034   4.3204  42.208   20.844  39.936   4.4163  27.776  7.4494 28.357  1.5842 -0.5815125     7.615994  
1 1 1 18  -8  2  o 36.822  7.1856 72.899   25.178  80.314   36.374  66.078   34.887  37.668  9.7185 34.213  9.8180 3.454987       13.81460  
1 1 1 18  -8  3  o 11.385  1.1765 6.4745   1.3029  0.5098   2.1277  10.053   1.6481  5.7185  2.3494 14.212  1.1857 -8.493574      2.631604  
1 1 1 18  -8  4  o 92.448  1.7739 423.279  16.187  403.142  20.034  461.140  27.471  90.126  2.2521 96.214  2.8926 -6.088898      3.665973  
1 1 1 18  -8  5  o 25.944  7.3826 36.253   19.808  32.742   27.907  39.818   28.121  25.554  8.9557 27.387  8.9966 -1.832993      12.69419  
1 1 1 18  -7  0  o 76.753  1.9765 291.945  14.974  298.699  21.016  284.981  21.339  77.485  2.7479 75.660  2.8574 1.824860       3.964315  
1 1 1 18  -7  1  o 62.100  2.0743 191.171  12.715  178.990  17.657  204.290  18.325  59.948  2.9840 64.061  2.8981 -4.113274      4.159700  
1 1 1 18  -7  2  o 96.355  1.9812 460.009  18.843  456.817  23.907  465.243  30.616  95.902  2.5256 96.592  3.2112 -0.6900177     4.085437  
1 1 1 18  -7  3  o 92.805  1.7155 426.297  15.715  421.748  22.323  430.767  22.126  92.168  2.4538 93.158  2.4063 -0.9908218     3.436754  
1 1 1 18  -7  4  o 51.053  1.3078 128.850  6.5901  112.007  9.2802  145.982  9.3599  47.548  1.9774 54.306  1.7462 -6.757378      2.638041  
1 1 1 18  -7  5  o 47.299  1.6227 110.698  7.5758  118.654  19.443  109.274  8.2259  48.467  4.1028 46.982  1.7738 1.484966       4.469870  
1 1 1 18  -7  6  o 81.341  1.8757 327.673  15.059  340.599  21.155  314.396  21.441  82.799  2.5886 79.520  2.7318 3.278648       3.763390  
1 1 1 18  -7  7  o 17.454  1.5816 15.196   2.6952  15.136   2.7624  16.376   12.291  17.414  1.6259 18.172  5.9468 -0.7574539     6.165064  
1 1 1 18  -7  8  f 99.327  2.5574 490.223  25.073  467.684  85.688  492.334  26.220  92.733  9.4956 99.510  2.6695 -6.777267      9.863687  
1 1 1 18  -6  0  o 85.775  2.0325 364.544  17.208  355.927  21.959  378.255  27.699  84.642  2.6284 87.112  3.2214 -2.469795      4.157688  
1 1 1 18  -6  1  o 78.646  1.5856 305.966  12.308  296.891  16.896  316.226  17.966  77.384  2.2121 79.853  2.2794 -2.468788      3.176344  
1 1 1 18  -6  2  o 85.826  2.0287 364.899  17.186  358.070  21.685  376.429  28.179  84.919  2.5872 86.907  3.2851 -1.987755      4.181529  
1 1 1 18  -6  3  o 99.128  1.7736 486.330  17.354  474.430  23.297  501.165  26.011  97.790  2.4136 100.460 2.6232 -2.669945      3.564624  
1 1 1 18  -6  4  o 107.246 1.8106 569.297  19.167  548.045  32.407  580.729  23.770  104.921 3.1293 108.237 2.2249 -3.316238      3.839640  
1 1 1 18  -6  5  o 54.578  1.0302 147.145  5.5499  158.532  7.8346  135.677  7.8628  56.627  1.4017 52.379  1.5209 4.248825       2.068294  
1 1 1 18  -6  6  o 14.210  4.5219 9.9776   7.1386  10.861   10.111  9.1000   10.080  15.441  5.3919 14.716  5.3561 0.7247963      7.599987  
1 1 1 18  -6  7  o 35.773  1.2136 63.240   4.2851  66.388   6.0879  60.149   6.0326  36.630  1.6838 34.818  1.7611 1.812035       2.436538  
1 1 1 18  -6  8  o 39.416  3.0177 77.760   11.651  82.950   17.775  73.850   15.428  40.376  4.5387 38.164  4.1632 2.212147       6.158895  
1 1 1 18  -6  9  f 80.945  3.4459 327.009  27.531  265.620  67.234  339.375  30.177  69.571  10.085 82.388  3.7109 -12.81774      10.74623  
1 1 1 18  -6  10 o 60.348  1.3361 180.049  7.9587  186.998  12.516  175.332  10.312  61.426  2.0643 59.514  1.7555 1.912258       2.709841  
1 1 1 18  -5  0  o 21.272  1.7854 22.551   3.7141  22.184   3.7569  38.391   24.680  21.093  1.8224 26.982  8.3834 -5.889616      8.579184  
1 1 1 18  -5  1  o 26.098  3.9439 34.798   9.8426  38.001   12.715  30.010   15.548  27.067  4.9414 23.831  6.4516 3.235306       8.126588  
1 1 1 18  -5  2  o 109.810 2.0298 597.170  22.000  601.809  29.824  591.633  32.585  110.077 2.7450 109.067 3.0268 1.009293       4.086151  
1 1 1 18  -5  3  o 18.061  1.2163 16.191   2.1557  12.250   3.0165  20.304   3.0817  15.602  2.0053 20.203  1.5574 -4.601555      2.539024  
1 1 1 18  -5  4  o 65.998  1.3802 215.302  8.9909  182.701  12.954  245.602  12.489  60.726  2.1612 70.450  1.7960 -9.723866      2.810071  
1 1 1 18  -5  5  o 92.643  1.9501 424.906  17.832  407.838  21.974  457.821  30.515  90.680  2.4551 95.904  3.2236 -5.224136      4.052023  
1 1 1 18  -5  6  o 23.143  1.1497 26.462   2.6264  26.381   3.7399  26.542   3.6892  23.035  1.6559 23.108  1.6279 -0.7310677E-01 2.322064  
1 1 1 18  -5  7  o 52.755  1.1047 137.487  5.7524  136.501  7.3037  139.098  9.3356  52.548  1.4082 53.019  1.7839 -0.4710922     2.272719  
1 1 1 18  -5  8  o 112.995 1.7940 631.821  20.008  641.366  28.299  622.281  28.293  113.696 2.5217 111.982 2.5598 1.713486       3.593216  
1 1 1 18  -5  9  o 45.261  1.3232 101.253  5.9115  103.290  8.6787  99.489   8.0743  45.676  1.9250 44.835  1.8245 0.8410263      2.652279  
1 1 1 18  -5  10 o 65.270  6.4107 219.709  40.768  227.936  57.234  211.236  58.084  65.102  9.1602 62.295  9.7677 2.807209       13.39096  
1 1 1 18  -5  11 o 61.110  1.4648 184.668  8.8355  173.699  12.306  196.337  12.693  59.205  2.1059 62.953  2.0428 -3.747478      2.933903  
1 1 1 18  -4  0  o 80.654  1.5172 321.653  12.078  319.857  18.159  323.078  16.176  80.331  2.2902 80.772  2.0289 -0.4411163     3.059655  
1 1 1 18  -4  1  o 75.716  1.6872 283.579  12.609  282.332  14.754  286.957  24.283  75.516  1.9794 75.931  3.2400 -0.4144211     3.796810  
1 1 1 18  -4  2  o 42.905  1.2351 90.959   5.2305  80.929   7.3804  101.079  7.4137  40.440  1.8490 45.207  1.6615 -4.766678      2.485845  
1 1 1 18  -4  3  o 79.818  1.4015 314.902  11.042  291.544  15.919  336.557  15.328  76.726  2.1021 82.465  1.8831 -5.738869      2.822178  
1 1 1 18  -4  4  o 51.800  1.0735 132.544  5.4886  131.687  7.7621  133.401  7.7620  51.609  1.5238 51.945  1.5139 -0.3354912     2.147973  
1 1 1 18  -4  5  o 47.049  2.0836 109.613  9.6759  113.763  13.846  105.653  13.527  47.761  2.9516 46.013  2.9947 1.747803       4.204787  
1 1 1 18  -4  6  o 24.100  3.3418 29.448   7.7353  25.802   11.008  33.005   10.872  22.209  5.1256 25.296  4.5203 -3.086781      6.834058  
1 1 1 18  -4  7  o 49.330  1.1573 120.220  5.6347  115.838  9.1286  122.917  7.1619  48.379  1.9117 49.865  1.4551 -1.486092      2.402485  
1 1 1 18  -4  8  o 50.810  1.0626 127.521  5.3293  134.027  7.5414  121.032  7.5320  52.069  1.4674 49.476  1.5424 2.593082       2.128863  
1 1 1 18  -4  9  o 68.783  1.4544 233.878  9.8739  236.984  13.756  230.577  14.182  69.185  2.0144 68.233  2.1057 0.9518661      2.914074  
1 1 1 18  -4  10 o 28.722  0.9787 40.745   2.7745  34.169   4.7736  44.100   3.4096  26.211  1.8572 29.877  1.1562 -3.665806      2.187650  
1 1 1 18  -4  11 o 97.791  2.5308 474.479  24.428  472.719  25.515  493.815  84.576  97.585  2.6490 96.504  8.9822 1.080750       9.364675  
1 1 1 18  -4  12 o 44.401  2.1638 97.692   9.4829  97.203   13.746  98.135   13.099  44.075  3.1810 44.318  3.0125 -0.2428398     4.381109  
1 1 1 18  -4  13 o 91.567  1.6131 414.794  14.579  426.521  21.154  404.185  20.120  92.735  2.3111 90.285  2.2578 2.450668       3.230888  
1 1 1 18  -3  0  o 34.937  1.5116 60.346   5.2127  59.039   5.6900  67.170   13.003  34.550  1.6685 36.525  3.6558 -1.975018      4.018602  
1 1 1 18  -3  1  o 71.972  1.7619 256.248  12.516  245.747  17.711  266.723  17.689  70.390  2.5492 73.347  2.4434 -2.957520      3.531116  
1 1 1 18  -3  2  o 31.619  1.0113 49.377   3.1562  46.120   4.4138  52.786   4.5149  30.545  1.4640 32.680  1.3997 -2.135315      2.025435  
1 1 1 18  -3  3  o 106.686 1.7706 563.020  18.645  561.735  26.370  564.304  26.367  106.440 2.5100 106.684 2.5040 -0.2443619     3.545403  
1 1 1 18  -3  4  o 100.859 2.0452 503.568  20.361  508.779  25.905  495.147  32.932  101.287 2.5912 99.759  3.3445 1.527870       4.230860  
1 1 1 18  -3  5  o 40.977  1.2663 82.963   5.1217  83.290   7.1764  82.624   7.3119  41.035  1.7718 40.868  1.8126 0.1664696      2.534761  
1 1 1 18  -3  6  o 154.312 2.2405 1179.44  34.126  1187.97  47.817  1170.59  48.718  154.602 3.1335 153.438 3.2168 1.164246       4.490723  
1 1 1 18  -3  7  o 120.522 2.1975 719.379  26.142  742.278  44.685  707.464  32.233  122.031 3.7099 119.405 2.7349 2.625809       4.609025  
1 1 1 18  -3  8  o 37.035  2.3282 68.225   8.4673  65.452   12.051  70.928   11.899  36.104  3.4226 37.630  3.2352 -1.525494      4.709656  
1 1 1 18  -3  9  f 61.482  2.0820 187.157  12.634  187.117  21.713  187.177  15.535  61.173  3.6120 61.434  2.5620 -0.2609406     4.428348  
1 1 1 18  -3  10 o 73.386  1.5387 266.263  11.145  291.347  16.297  244.223  15.276  76.699  2.1527 70.217  2.2042 6.482269       3.080953  
1 1 1 18  -3  11 o 31.706  2.9446 50.365   9.1099  53.867   16.377  48.795   10.963  32.288  5.3243 31.079  3.6428 1.209126       6.451181  
1 1 1 18  -3  12 o 79.118  2.5267 310.502  19.732  308.955  20.579  328.151  69.503  78.902  2.6424 78.547  9.1354 0.3549805      9.509918  
1 1 1 18  -3  13 o 122.816 1.9827 746.854  24.035  749.018  34.279  744.762  33.711  122.786 2.8284 122.448 2.7892 0.3381271      3.972363  
1 1 1 18  -3  14 o 39.429  1.1151 76.811   4.3397  90.735   6.0872  62.420   6.1885  42.838  1.4396 35.515  1.7654 7.323936       2.277977  
1 1 1 18  -2  0  o 44.720  3.7964 100.455  16.599  98.441   18.211  110.349  40.355  44.173  4.2284 45.106  9.3705 -0.9329109     10.28036  
1 1 1 18  -2  1  o 138.596 6.5027 977.379  88.956  929.219  125.673 1025.74  125.934 132.462 9.6791 139.665 9.1866 -7.203079      13.34462  
1 1 1 18  -2  2  o 89.827  6.2655 411.166  55.204  416.666  78.215  405.705  77.926  88.956  9.0333 87.708  9.1354 1.248680       12.84743  
1 1 1 18  -2  3  o 30.871  6.8248 50.334   20.243  44.103   28.537  56.646   28.720  29.018  9.0144 32.463  8.7603 -3.444004      12.56989  
1 1 1 18  -2  4  o 43.648  6.2722 98.332   26.246  75.472   36.467  122.898  37.803  37.232  9.7922 48.216  8.2393 -10.98444      12.79742  
1 1 1 18  -2  5  o 95.654  6.2601 465.241  58.778  471.255  83.242  459.260  83.007  94.816  9.0026 93.530  9.1070 1.286362       12.80560  
1 1 1 18  -2  6  o 97.304  6.2660 481.349  59.861  475.476  84.602  487.238  84.710  95.183  9.1167 96.431  9.0041 -1.247948      12.81355  
1 1 1 18  -2  7  o 58.532  1.1586 169.231  6.6936  170.388  11.472  168.634  8.2421  58.681  1.9806 58.415  1.4295 0.2659187      2.442571  
1 1 1 18  -2  8  o 92.086  1.7161 419.341  15.598  422.910  22.338  415.945  21.790  92.381  2.4498 91.624  2.4095 0.7578201      3.436121  
1 1 1 18  -2  9  o 37.620  1.4880 69.952   5.5254  71.341   6.0396  62.824   13.685  37.986  1.6108 35.263  4.0026 2.722622       4.314571  
1 1 1 18  -2  10 o 15.546  4.5752 12.308   7.4910  13.498   12.237  11.594   9.4735  17.128  5.9344 15.614  5.2254 1.514058       7.907120  
1 1 1 18  -2  11 o 22.942  3.0819 26.615   6.8023  26.283   9.1948  27.016   10.110  22.565  4.2850 22.817  4.6469 -0.2521915     6.320934  
1 1 1 18  -2  12 f 35.430  2.9357 62.769   10.174  62.184   18.508  63.022   12.179  34.684  5.5969 35.399  3.5328 -0.7151718     6.618587  
1 1 1 18  -2  13 o 31.464  0.7908 48.882   2.4560  55.967   3.4620  41.705   3.4847  33.661  1.0420 29.053  1.2152 4.608002       1.600739  
1 1 1 18  -2  14 o 156.774 2.3616 1218.47  36.544  1189.01  50.662  1250.42  52.763  154.526 3.3216 158.445 3.3738 -3.918350      4.734509  
1 1 1 18  -2  15 o 59.473  1.5777 174.940  9.2614  184.500  15.854  169.988  11.411  60.959  2.6350 58.590  1.9731 2.368954       3.291871  
1 1 1 18  -1  0  o 82.409  6.2187 346.287  50.211  340.328  71.063  352.228  70.955  80.239  9.1356 81.757  8.9383 -1.518188      12.78092  
1 1 1 18  -1  1  o 70.049  6.2053 250.464  42.460  261.181  60.304  239.929  59.793  70.369  8.8800 67.224  9.2568 3.144791       12.82741  
1 1 1 18  -1  2  o 61.320  6.2018 192.176  37.020  194.080  52.679  190.318  52.037  60.478  9.1072 59.886  9.0889 0.5920601      12.86656  
1 1 1 18  -1  3  f 94.037  6.2174 449.261  57.383  445.762  81.114  452.766  81.190  92.239  9.0250 93.008  8.9546 -0.7691498     12.71362  
1 1 1 18  -1  4  o 28.405  6.7166 42.541   18.535  59.132   26.393  26.395   26.036  33.287  8.1079 24.123  8.6308 9.164707       11.84183  
1 1 1 18  -1  5  o 36.132  6.5363 68.028   22.453  52.460   31.502  84.103   32.011  31.467  9.4123 39.724  8.4253 -8.257631      12.63240  
1 1 1 18  -1  6  o 30.138  6.8181 47.854   19.807  44.748   27.989  50.971   28.035  29.240  8.9004 30.964  8.7730 -1.724358      12.49735  
1 1 1 18  -1  7  o 65.707  6.1573 219.855  39.467  238.133  56.062  201.896  55.571  67.455  8.6171 61.691  9.4254 5.763847       12.77075  
1 1 1 18  -1  8  o 21.802  6.4504 24.474   14.855  32.878   21.303  16.519   20.726  25.272  7.7783 20.391  7.6338 4.881161       10.89849  
1 1 1 18  -1  9  o 125.029 6.4263 793.999  79.038  805.119  111.728 782.859  111.826 124.098 9.1867 122.249 9.3381 1.848267       13.09946  
1 1 1 18  -1  10 o 125.775 1.9714 782.739  24.474  795.635  34.842  770.180  34.384  126.643 2.7873 124.599 2.7959 2.044350       3.947907  
1 1 1 18  -1  11 o 131.273 2.0644 852.973  26.748  867.390  38.116  838.984  37.546  132.184 2.9214 130.000 2.9261 2.183670       4.134817  
1 1 1 18  -1  12 o 117.280 1.8888 680.553  21.865  690.748  30.520  669.802  31.339  118.017 2.6200 116.189 2.7327 1.828117       3.785750  
1 1 1 18  -1  13 o 58.230  1.5309 167.625  8.7990  170.645  12.524  164.683  12.364  58.702  2.1616 57.666  2.1723 1.035515       3.064532  
1 1 1 18  -1  14 o 46.258  1.2537 105.727  5.7243  106.712  7.9914  104.690  8.2035  46.447  1.7432 46.001  1.8068 0.4459991      2.510587  
1 1 1 18  -1  15 o 44.082  2.2723 96.549   9.8532  99.292   13.798  93.695   14.075  44.568  3.1570 43.257  3.3220 1.310741       4.582841  
1 1 1 18  -1  16 o 30.823  0.8372 46.915   2.5469  45.552   3.5687  48.330   3.6360  30.362  1.1908 31.275  1.1779 -0.9125767     1.674924  
1 1 1 18  0   0  o 135.983 2.7366 917.349  36.730  918.299  51.951  916.400  51.938  135.697 3.8787 135.556 3.8818 0.1414948      5.487506  
1 1 1 18  0   1  o 37.574  1.1516 69.737   4.2710  67.059   5.9745  72.537   6.1081  36.828  1.6436 38.304  1.6156 -1.475971      2.304637  
1 1 1 18  0   2  o 16.019  4.7407 13.041   8.0231  18.866   11.771  7.9863   10.965  19.228  5.7539 14.678  5.5407 4.550108       7.987929  
1 1 1 18  0   3  o 108.793 1.8543 585.379  19.912  610.605  28.803  562.286  27.559  110.993 2.6291 106.512 2.6213 4.480721       3.712644  
1 1 1 18  0   4  o 127.265 3.4012 804.888  42.725  824.697  46.578  699.810  107.276 128.749 3.6652 115.665 9.4798 13.08438       10.16373  
1 1 1 18  0   5  o 59.406  2.3574 174.734  13.823  168.678  20.618  179.680  18.630  58.131  3.6112 60.083  3.1525 -1.951805      4.793695  
1 1 1 18  0   6  o 98.162  6.2164 487.995  59.919  477.800  84.581  498.266  84.897  95.781  9.0540 97.921  8.8804 -2.140099      12.68218  
1 1 1 18  0   7  o 54.896  7.3710 155.845  38.930  150.149  68.012  158.621  47.477  51.636  13.272 54.768  9.1021 -3.132626      16.09320  
1 1 1 18  0   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  0   9  f 92.393  7.1887 436.703  65.041  402.401  79.622  505.499  112.759 87.611  9.3520 96.504  12.104 -8.892677      15.29613  
1 1 1 18  0   10 o 82.686  6.2238 347.334  50.423  353.077  71.370  341.611  71.248  82.155  8.9459 80.718  9.1016 1.437057       12.76204  
1 1 1 18  0   11 o 68.874  6.2465 241.822  42.003  244.448  59.689  239.247  59.117  68.071  9.1124 67.322  9.1322 0.7488403      12.90085  
1 1 1 18  0   12 o 142.181 2.1328 1000.73  29.931  1017.04  41.601  983.236  43.095  143.136 2.9446 140.692 3.1033 2.443909       4.277988  
1 1 1 18  0   13 o 34.429  1.2377 58.562   4.2059  58.728   5.8925  58.390   6.0052  34.416  1.7403 34.313  1.7792 0.1031036      2.488827  
1 1 1 18  0   14 o 43.252  1.8442 92.551   7.8729  132.360  39.833  90.933   8.0313  49.958  8.3744 42.869  1.8981 7.088856       8.586766  
1 1 1 18  0   15 o 33.840  3.1419 57.414   10.375  69.554   16.101  48.795   13.566  37.000  4.5015 30.880  4.5906 6.120098       6.429386  
1 1 1 18  0   16 o 71.294  1.3161 251.191  9.2615  274.294  13.109  228.167  13.087  74.457  1.7837 67.891  1.9529 6.565735       2.644907  
1 1 1 18  0   17 o 80.568  1.9681 321.435  15.651  316.773  27.931  323.569  18.897  79.680  3.5514 80.774  2.3702 -1.093857      4.269716  
1 1 1 18  1   0  o 116.555 1.9751 672.232  22.723  694.338  32.206  650.319  32.064  118.308 2.7580 114.479 2.8377 3.828873       3.957114  
1 1 1 18  1   1  o 14.586  1.6373 10.649   2.3164  14.916   10.431  10.428   2.3757  17.314  5.4614 14.423  1.7016 2.891048       5.720325  
1 1 1 18  1   2  o 99.311  1.5432 487.465  15.127  482.079  21.586  492.663  21.204  98.682  2.2161 99.768  2.1532 -1.085869      3.089912  
1 1 1 18  1   3  o 97.586  1.5279 470.636  14.717  481.579  20.869  459.809  20.758  98.647  2.1433 96.387  2.1819 2.260269       3.058511  
1 1 1 18  1   4  o 80.571  1.8685 321.017  14.860  317.737  18.486  327.008  24.981  80.112  2.3378 81.174  3.1179 -1.061203      3.896956  
1 1 1 18  1   5  o 71.235  1.6636 250.817  11.697  252.542  11.957  212.399  56.417  71.477  1.6948 63.531  9.2699 7.946198       9.423565  
1 1 1 18  1   6  o 18.706  1.1387 17.345   2.0925  18.041   2.1560  6.0623   8.6810  19.078  1.1503 12.997  4.9243 6.080804       5.056867  
1 1 1 18  1   7  o 54.143  1.3697 144.820  7.3198  142.932  10.206  146.819  10.503  53.762  1.9234 54.487  1.9530 -0.7245216     2.741102  
1 1 1 18  1   8  o 49.757  2.4768 122.593  12.164  119.433  17.953  125.275  16.540  48.865  3.7508 50.117  3.3631 -1.251312      5.037699  
1 1 1 18  1   9  o 83.602  7.1300 357.079  58.273  316.145  100.804 377.624  71.415  75.074  14.122 85.350  8.5941 -10.27553      16.53141  
1 1 1 18  1   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  1   11 o 109.413 13.464 661.896  142.336 661.896  142.336 0.0000   0.0000  109.413 13.464 ?       ?      0.000000       13.46392  
1 1 1 18  1   12 o 97.316  6.2637 480.868  59.846  480.903  84.704  480.834  84.565  95.883  9.0574 95.885  9.0420 -0.1777649E-02 12.79822  
1 1 1 18  1   13 o 70.389  1.4266 244.851  9.9114  250.701  13.657  238.342  14.406  71.183  1.9438 69.392  2.1034 1.791687       2.864015  
1 1 1 18  1   14 o 36.954  1.2345 67.468   4.5028  50.698   6.4410  83.498   6.2973  31.939  2.0541 41.098  1.5524 -9.159418      2.574718  
1 1 1 18  1   15 o 100.329 3.5944 501.415  35.595  504.163  87.003  500.863  39.010  97.830  9.1150 100.179 3.9451 -2.349174      9.932092  
1 1 1 18  1   16 o 142.282 2.4127 1003.48  33.884  1000.27  47.051  1006.95  48.836  141.761 3.3626 142.191 3.4796 -0.4300232     4.838927  
1 1 1 18  1   17 o 83.924  1.8317 348.543  15.173  361.279  23.172  338.983  20.076  85.299  2.7523 82.675  2.4602 2.623421       3.691540  
1 1 1 18  2   0  o 89.756  1.7595 398.405  15.588  386.489  22.094  410.214  21.995  88.305  2.5349 90.988  2.4490 -2.682915      3.524716  
1 1 1 18  2   1  o 94.693  1.5381 443.198  14.376  460.605  20.981  427.793  19.738  96.457  2.2038 92.965  2.1510 3.492378       3.079513  
1 1 1 18  2   2  o 87.057  1.6211 374.638  13.930  369.422  20.289  379.290  19.160  86.369  2.3799 87.535  2.2177 -1.165924      3.253007  
1 1 1 18  2   3  o 20.979  1.1629 21.805   2.3987  28.171   10.170  21.430   2.4684  23.358  4.5748 20.794  1.2078 2.563660       4.731563  
1 1 1 18  2   4  o 61.792  1.3009 188.619  7.9345  182.684  11.009  195.033  11.446  60.784  1.8350 62.804  1.8464 -2.020184      2.603126  
1 1 1 18  2   5  o 51.709  1.8758 132.207  9.5737  146.783  13.996  119.391  13.124  54.437  2.6049 49.013  2.7236 5.424458       3.768747  
1 1 1 18  2   6  o 65.783  1.2137 213.730  7.8808  220.864  11.149  206.604  11.142  66.848  1.6897 64.650  1.7460 2.197296       2.429713  
1 1 1 18  2   7  o 29.910  1.1575 44.182   3.4173  48.052   4.8424  40.344   4.8232  31.143  1.5805 28.518  1.7216 2.625536       2.337027  
1 1 1 18  2   8  o 27.906  0.8606 38.447   2.3703  42.099   3.3583  34.821   3.3461  29.197  1.1654 26.551  1.2768 2.645126       1.728639  
1 1 1 18  2   9  o 22.209  3.4278 25.056   7.2721  27.376   10.270  22.723   10.298  23.013  4.6807 20.906  5.0479 2.107481       6.884070  
1 1 1 18  2   10 o 93.272  6.1904 440.104  56.667  457.660  80.145  422.553  80.133  94.009  8.7372 90.106  9.1363 3.902771       12.64160  
1 1 1 18  2   11 o 107.565 7.3093 590.842  77.142  603.685  94.468  565.136  133.649 107.841 8.9560 101.079 13.753 6.761826       16.41196  
1 1 1 18  2   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  2   13 o 40.420  6.4128 84.595   24.730  69.990   34.782  99.527   35.169  35.978  9.6118 43.244  8.5424 -7.265701      12.85923  
1 1 1 18  2   14 o 70.341  1.8937 244.771  13.148  266.178  19.315  226.287  17.948  73.265  2.6710 67.550  2.6919 5.715294       3.792134  
1 1 1 18  2   15 o 61.946  1.6099 189.722  9.8436  184.466  12.175  199.644  16.727  61.050  2.0204 63.444  2.6712 -2.394115      3.349242  
1 1 1 18  2   16 o 17.464  5.5961 15.090   10.919  17.064   13.870  11.873   17.706  18.841  6.3227 18.220  7.0015 0.6208687      9.433887  
1 1 1 18  2   17 o 56.232  1.4075 156.291  7.8118  150.965  11.124  161.473  10.973  55.220  2.0409 57.117  1.9464 -1.897743      2.820218  
1 1 1 18  2   18 o 48.540  2.1392 116.722  10.249  107.600  13.728  128.210  15.405  46.423  3.0123 50.676  3.0947 -4.252785      4.318716  
1 1 1 18  3   0  o 48.702  1.9406 117.346  9.3285  126.082  13.675  109.742  12.758  50.343  2.7626 46.957  2.7647 3.386089       3.908420  
1 1 1 18  3   1  o 157.267 2.1297 1224.15  33.059  1280.18  47.514  1171.57  46.025  160.600 2.9974 153.625 3.0353 6.974686       4.265840  
1 1 1 18  3   2  o 83.357  1.5623 343.423  12.854  374.855  20.561  323.258  16.469  87.001  2.3943 80.828  2.0642 6.173149       3.161323  
1 1 1 18  3   3  o 85.560  1.5923 361.811  13.447  361.306  19.008  362.316  19.026  85.438  2.2540 85.557  2.2530 -0.1193542     3.186945  
1 1 1 18  3   4  o 33.309  2.3537 55.193   7.6883  59.570   11.208  51.304   10.566  34.479  3.3350 31.963  3.4014 2.515879       4.763559  
1 1 1 18  3   5  o 110.642 1.9187 605.317  20.953  610.789  28.982  599.323  30.329  111.045 2.6442 109.974 2.7941 1.070740       3.846884  
1 1 1 18  3   6  o 20.990  5.3395 22.900   11.088  0.0000   0.0000  22.900   11.088  ?       ?      20.990  5.3395 0.000000       5.339452  
1 1 1 18  3   7  o 92.871  1.7515 426.311  16.055  414.794  22.348  438.595  23.081  91.538  2.4735 94.126  2.4843 -2.588356      3.505697  
1 1 1 18  3   8  o 115.056 1.8081 654.378  20.533  657.103  28.960  651.622  29.117  115.203 2.5468 114.718 2.5715 0.4850388      3.619232  
1 1 1 18  3   9  o 56.965  0.9622 160.225  5.4099  151.446  7.6134  169.178  7.6888  55.369  1.3931 58.523  1.3311 -3.154282      1.926768  
1 1 1 18  3   10 o 84.902  1.6873 356.271  14.140  346.368  20.837  364.724  19.251  83.637  2.5241 85.852  2.2718 -2.214424      3.395838  
1 1 1 18  3   11 o 39.042  6.4124 78.768   23.852  83.239   33.566  74.208   33.901  39.521  8.8276 37.215  9.2651 2.305473       12.79725  
1 1 1 18  3   12 o 63.499  6.2541 205.258  38.690  198.641  54.557  211.952  54.875  61.358  9.2999 63.541  9.0013 -2.182869      12.94257  
1 1 1 18  3   13 o 44.652  9.3437 106.991  39.858  121.122  56.251  92.742   56.485  46.650  12.110 41.078  12.670 5.571190       17.52645  
1 1 1 18  3   14 o 82.228  2.5187 335.051  20.442  345.779  27.609  322.033  30.413  83.403  3.3538 80.399  3.8324 3.003212       5.092639  
1 1 1 18  3   15 o 62.700  1.3700 194.266  8.4784  191.204  12.238  197.092  11.757  62.160  1.9946 63.119  1.8872 -0.9588432     2.745905  
1 1 1 18  3   16 o 36.271  1.1555 64.990   4.1370  57.472   5.8328  72.600   5.8685  34.044  1.7416 38.322  1.5515 -4.277504      2.332469  
1 1 1 18  3   17 o 100.525 2.6335 501.275  26.130  500.347  27.339  511.086  88.874  100.407 2.7585 98.332  9.2661 2.074669       9.668018  
1 1 1 18  3   18 o 71.717  1.7829 254.473  12.621  241.165  15.798  277.949  20.982  69.759  2.2944 74.808  2.8416 -5.048561      3.652275  
1 1 1 18  3   19 o 100.548 1.9830 500.653  19.680  465.091  27.101  540.325  28.625  96.739  2.8383 104.284 2.7809 -7.545647      3.973587  
1 1 1 18  4   0  o 42.501  2.0734 89.395   8.6977  92.886   13.123  86.660   11.615  43.138  3.1028 41.699  2.8389 1.439106       4.205588  
1 1 1 18  4   1  o 81.459  1.5580 327.981  12.527  332.271  16.639  322.370  19.032  81.943  2.0573 80.675  2.3901 1.267944       3.153577  
1 1 1 18  4   2  o 47.349  1.1711 110.734  5.4731  109.993  8.7457  111.212  7.0170  47.159  1.8789 47.438  1.4986 -0.2789688     2.403337  
1 1 1 18  4   3  o 36.242  1.1680 64.874   4.1783  79.143   5.8921  50.439   5.9262  40.020  1.4916 31.881  1.8918 8.139324       2.409090  
1 1 1 18  4   4  o 57.527  1.7570 163.596  9.9761  152.501  13.636  176.374  14.633  55.494  2.4895 59.681  2.4842 -4.186295      3.516890  
1 1 1 18  4   5  o 126.080 2.0609 786.247  25.647  768.297  36.195  804.346  36.345  124.489 2.9457 127.387 2.8906 -2.897720      4.127054  
1 1 1 18  4   6  o 105.938 1.9031 554.880  19.900  558.318  27.600  551.157  28.720  106.177 2.6336 105.477 2.7586 0.7009506      3.813874  
1 1 1 18  4   7  o 24.681  5.1627 31.566   12.173  0.0000   0.0000  31.566   12.173  ?       ?      24.681  5.1627 0.000000       5.162749  
1 1 1 18  4   8  o 78.498  1.9544 304.667  15.143  297.530  27.110  307.904  18.256  77.408  3.5482 78.881  2.3448 -1.473717      4.252954  
1 1 1 18  4   9  o 129.404 1.8215 827.765  23.265  860.269  33.207  796.428  32.605  131.817 2.5522 126.823 2.6047 4.993828       3.646657  
1 1 1 18  4   10 o 167.076 2.8504 1383.25  47.007  1358.40  66.475  1408.09  66.480  165.218 4.0763 168.238 4.0034 -3.019363      5.713485  
1 1 1 18  4   11 o 103.650 1.6054 530.913  16.424  538.999  23.007  522.509  23.454  104.370 2.2333 102.752 2.3126 1.618538       3.214889  
1 1 1 18  4   12 o 27.524  6.8365 39.821   18.489  36.657   26.203  42.958   26.092  26.940  8.6729 28.699  8.5620 -1.759298      12.18717  
1 1 1 18  4   13 o 98.637  6.2453 492.891  60.489  499.231  85.565  486.558  85.524  97.966  8.9476 96.636  9.0726 1.329437       12.74251  
1 1 1 18  4   14 o 40.647  6.4073 85.482   24.855  82.480   35.150  88.484   35.151  39.121  9.2488 40.604  9.0065 -1.483799      12.90960  
1 1 1 18  4   15 o 102.857 1.8131 523.256  18.407  527.849  25.333  518.119  26.791  103.209 2.4867 102.224 2.6553 0.9847870      3.637884  
1 1 1 18  4   16 o 64.861  1.1742 207.818  7.5172  222.510  10.632  193.132  10.630  67.086  1.6057 62.492  1.7233 4.593822       2.355416  
1 1 1 18  4   17 o 65.995  2.2874 215.758  14.900  219.594  25.612  213.796  18.319  66.220  3.9362 65.628  2.8280 0.5919800      4.846774  
1 1 1 18  4   18 o 61.327  1.2252 185.826  7.4163  172.588  10.428  199.371  10.549  59.064  1.7888 63.490  1.6833 -4.426514      2.456298  
1 1 1 18  4   19 o 103.294 2.1261 528.542  21.677  516.302  30.079  541.769  31.267  101.905 2.9904 104.376 3.0350 -2.471535      4.260704  
1 1 1 18  5   0  o 84.151  1.6033 350.073  13.317  353.726  18.020  345.676  19.769  84.532  2.1597 83.535  2.3976 0.9970703      3.226928  
1 1 1 18  5   1  o 83.975  1.4823 348.505  12.286  367.334  17.086  328.346  17.679  86.163  2.0090 81.441  2.1992 4.721558       2.978745  
1 1 1 18  5   2  o 46.603  1.0145 107.254  4.6667  108.546  6.5757  105.943  6.6240  46.869  1.4214 46.302  1.4494 0.5666809      2.030060  
1 1 1 18  5   3  o 156.967 2.4496 1220.22  37.952  1205.01  51.573  1238.19  56.049  155.747 3.3549 157.799 3.5986 -2.052551      4.919821  
1 1 1 18  5   4  o 17.623  1.0359 15.390   1.7941  16.551   2.6166  14.360   2.4647  18.244  1.4654 16.983  1.4853 1.261036       2.086518  
1 1 1 18  5   5  o 36.661  1.5437 66.413   5.5858  65.857   5.7623  75.072   22.739  36.505  1.5992 38.143  6.2570 -1.637371      6.458116  
1 1 1 18  5   6  o 72.919  1.8056 262.847  12.996  244.854  17.836  283.209  18.974  70.320  2.5697 75.630  2.5417 -5.310028      3.614386  
1 1 1 18  5   7  f 40.549  1.5469 81.241   6.1913  80.756   13.712  81.365   6.9389  40.182  3.4920 40.574  1.7326 -0.3916588     3.898206  
1 1 1 18  5   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  5   9  o 24.833  1.5696 30.593   3.8274  38.650   13.541  29.893   3.9901  27.367  5.2032 24.539  1.6571 2.827461       5.460728  
1 1 1 18  5   10 o 150.373 2.3409 1118.97  34.745  1145.94  49.368  1092.50  48.909  151.974 3.2911 148.376 3.3396 3.597672       4.688734  
1 1 1 18  5   11 f 95.953  1.5626 454.951  14.800  437.542  20.316  474.636  21.603  94.043  2.1887 97.943  2.2347 -3.900200      3.127927  
1 1 1 18  5   12 o 24.858  0.9544 30.510   2.3417  37.798   3.3720  23.721   3.2545  27.664  1.2350 21.858  1.5179 5.805683       1.956821  
1 1 1 18  5   13 o 65.775  6.1330 219.828  39.358  218.439  55.683  221.214  55.637  64.536  8.9853 64.983  8.9088 -0.4471893     12.65312  
1 1 1 18  5   14 o 93.472  6.1801 442.942  56.696  455.722  80.332  430.259  80.030  93.570  8.8014 90.763  9.0541 2.807083       12.62702  
1 1 1 18  5   15 o 127.302 2.7173 803.601  34.143  827.159  48.273  780.018  48.299  128.863 3.7953 125.101 3.9115 3.761826       5.450127  
1 1 1 18  5   16 o 35.357  2.8780 62.452   9.9569  67.183   13.957  57.548   14.209  36.497  3.9368 33.655  4.3811 2.841766       5.889990  
1 1 1 18  5   17 o 51.290  1.3292 129.993  6.7292  122.261  9.6043  137.449  9.4311  49.704  1.9577 52.712  1.8127 -3.007317      2.668010  
1 1 1 18  5   18 o 90.295  1.7748 403.323  15.818  404.202  24.507  402.695  20.710  90.243  2.7513 90.148  2.3275 0.9583282E-01  3.603718  
1 1 1 18  5   19 o 41.996  1.7011 87.243   7.0512  87.272   7.8562  87.123   15.991  41.991  1.8955 41.577  3.9439 0.4145126      4.375727  
1 1 1 18  5   20 o 85.024  1.6463 357.629  13.816  366.642  19.076  347.685  20.036  86.000  2.2473 83.716  2.4248 2.283409       3.306059  
1 1 1 18  6   0  o 88.025  1.4558 382.934  12.649  385.689  16.379  378.864  19.910  88.299  1.8793 87.463  2.3063 0.8364563      2.975026  
1 1 1 18  6   1  o 87.512  1.6315 378.602  14.093  362.002  19.640  396.221  20.234  85.497  2.3273 89.451  2.2918 -3.954315      3.266284  
1 1 1 18  6   2  o 19.312  3.8900 19.233   7.1585  16.973   9.6923  21.946   10.618  18.162  5.1627 20.524  5.2272 -2.361183      7.346931  
1 1 1 18  6   3  o 30.943  1.1242 47.287   3.4334  34.727   4.8184  60.243   4.8936  26.434  1.8585 34.917  1.4199 -8.482738      2.338858  
1 1 1 18  6   4  o 112.194 1.9412 622.552  21.497  607.508  30.072  638.274  30.741  110.711 2.7519 113.481 2.7445 -2.770050      3.886566  
1 1 1 18  6   5  o 111.973 1.9822 620.089  21.908  635.206  30.507  603.993  31.480  113.222 2.7298 110.379 2.8895 2.843544       3.975039  
1 1 1 18  6   6  f 146.990 2.4245 1069.55  35.175  1061.06  49.094  1078.51  50.424  146.191 3.4023 147.372 3.4665 -1.181015      4.857181  
1 1 1 18  6   7  o 51.742  1.9845 132.387  10.135  140.267  14.007  123.728  14.683  53.150  2.6786 49.870  2.9968 3.280334       4.019408  
1 1 1 18  6   8  o 54.649  2.1063 147.713  11.362  135.210  16.456  159.102  15.706  52.112  3.2150 56.669  2.8079 -4.556889      4.268537  
1 1 1 18  6   9  o 109.195 2.7430 590.615  29.564  590.615  29.564  0.0000   0.0000  109.195 2.7430 ?       ?      0.000000       2.743033  
1 1 1 18  6   10 o 58.785  1.4221 170.715  8.2515  177.834  11.513  163.196  11.832  59.972  1.9450 57.443  2.0868 2.529366       2.852685  
1 1 1 18  6   11 o 112.583 2.0115 626.818  22.353  602.239  31.238  652.610  32.000  110.236 2.8709 114.761 2.8250 -4.525063      4.027761  
1 1 1 18  6   12 o 72.447  1.9180 259.533  13.715  262.667  19.407  256.405  19.386  72.814  2.7003 71.937  2.7303 0.8763275      3.840054  
1 1 1 18  6   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  6   14 o 17.215  5.7145 14.202   11.335  17.462   16.038  10.949   16.022  19.511  6.7919 17.471  6.6730 2.039482       9.521503  
1 1 1 18  6   15 o 26.992  6.5608 38.370   17.309  33.840   24.308  43.030   24.652  25.861  8.3564 28.566  8.2693 -2.705368      11.75628  
1 1 1 18  6   16 o 148.398 2.2977 1090.73  33.656  1074.15  48.110  1106.62  47.100  146.982 3.3162 149.225 3.1977 -2.243484      4.606793  
1 1 1 18  6   17 o 100.858 1.7922 503.185  17.841  495.097  24.523  512.281  26.006  99.939  2.4860 101.638 2.5923 -1.699913      3.591671  
1 1 1 18  6   18 o 98.187  1.7269 476.843  16.736  469.566  23.059  484.944  24.329  97.334  2.4001 98.899  2.4923 -1.564445      3.460091  
1 1 1 18  6   19 o 36.774  3.8196 68.212   13.662  72.445   34.550  67.427   14.874  36.365  9.5158 36.476  4.2085 -0.1118660     10.40492  
1 1 1 18  6   20 o 59.643  1.5037 175.904  8.8523  150.579  12.464  201.679  12.574  55.112  2.2913 63.816  1.9963 -8.704170      3.038968  
1 1 1 18  7   0  o 59.592  1.6795 175.594  9.8785  177.482  10.112  136.155  46.219  59.909  1.7101 50.235  9.6724 9.674568       9.822416  
1 1 1 18  7   1  o 81.211  1.4231 325.916  11.407  317.031  15.944  335.233  16.326  80.043  2.0181 82.310  2.0096 -2.266594      2.848010  
1 1 1 18  7   2  o 51.148  1.8718 129.400  9.4497  109.318  12.431  156.884  14.543  46.879  2.6980 56.259  2.6190 -9.379501      3.760139  
1 1 1 18  7   3  o 39.048  2.1955 75.709   8.4277  72.015   11.863  79.473   11.975  37.948  3.1970 39.898  3.0641 -1.950066      4.428240  
1 1 1 18  7   4  o 118.226 1.9660 691.381  22.942  681.103  32.272  701.884  32.622  117.209 2.7895 118.986 2.7777 -1.776947      3.936611  
1 1 1 18  7   5  o 104.475 1.9042 539.769  19.637  554.480  27.819  525.162  27.722  105.786 2.6643 102.941 2.7283 2.844574       3.813427  
1 1 1 18  7   6  o 125.916 2.0862 784.292  25.928  785.929  36.588  782.641  36.748  125.901 2.9442 125.634 2.9634 0.2674026      4.177358  
1 1 1 18  7   7  o 74.551  1.7666 274.731  12.999  291.797  20.417  263.096  16.858  76.749  2.6951 72.910  2.3425 3.838646       3.570865  
1 1 1 18  7   8  o 87.436  1.7244 377.863  14.882  378.172  20.588  377.525  21.537  87.411  2.3863 87.324  2.4987 0.8696747E-01  3.455121  
1 1 1 18  7   9  o 40.732  2.5180 82.452   10.074  81.894   14.108  83.033   14.389  40.452  3.5700 40.727  3.6170 -0.2749367     5.082063  
1 1 1 18  7   10 o 34.555  4.0864 60.232   13.668  60.232   13.668  0.0000   0.0000  34.555  4.0864 ?       ?      0.000000       4.086393  
1 1 1 18  7   11 o 127.978 2.1933 810.310  27.706  787.612  38.712  834.145  39.669  126.016 3.1123 129.687 3.0990 -3.671883      4.392090  
1 1 1 18  7   12 o 27.385  3.9119 38.048   10.273  41.491   14.487  34.565   14.570  28.327  5.3782 25.731  5.8669 2.595457       7.958987  
1 1 1 18  7   13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  7   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  7   15 o 36.003  7.4475 68.460   25.592  60.967   44.419  72.184   31.312  34.178  11.311 36.665  8.7700 -2.487450      14.31242  
1 1 1 18  7   16 o 32.761  1.2142 53.022   3.9264  55.937   5.5525  50.106   5.5530  33.635  1.6725 31.780  1.7774 1.854469       2.440575  
1 1 1 18  7   17 o 90.356  1.7481 403.801  15.590  374.947  21.481  435.915  22.662  86.968  2.5024 93.782  2.4482 -6.813492      3.500863  
1 1 1 18  7   18 o 87.007  1.9530 374.674  16.772  359.630  23.138  391.331  24.347  85.123  2.7539 88.791  2.7780 -3.668068      3.911684  
1 1 1 18  7   19 o 93.050  1.8291 428.433  16.799  430.731  23.320  425.954  24.221  93.187  2.5354 92.647  2.6486 0.5394897      3.666528  
1 1 1 18  7   20 o 40.527  6.6784 86.075   25.784  87.577   36.698  84.611   36.234  39.904  9.4613 39.212  9.4689 0.6912804      13.38566  
1 1 1 18  8   0  f 63.766  1.2810 200.901  8.0627  199.948  9.5169  203.325  15.176  63.599  1.5160 64.056  2.4003 -0.4562683     2.838943  
1 1 1 18  8   1  o 23.423  1.2205 27.178   2.8120  15.668   11.170  27.957   2.9056  17.772  5.6564 23.756  1.2435 -5.984146      5.791512  
1 1 1 18  8   2  o 76.428  1.6588 288.788  12.513  304.292  16.865  269.799  18.664  78.402  2.1793 73.781  2.5629 4.620628       3.364202  
1 1 1 18  8   3  o 107.261 1.9092 569.106  20.212  558.106  28.332  580.507  28.844  106.096 2.7055 108.205 2.7007 -2.109192      3.822750  
1 1 1 18  8   4  o 102.707 1.8877 521.739  19.137  524.528  26.530  518.712  27.631  102.879 2.6126 102.286 2.7368 0.5927200      3.783664  
1 1 1 18  8   5  o 74.965  1.3711 277.652  10.145  262.897  14.342  292.428  14.353  72.901  1.9932 76.896  1.8910 -3.994576      2.747499  
1 1 1 18  8   6  o 95.176  1.8105 447.878  17.008  459.184  23.673  435.816  24.452  96.290  2.4908 93.788  2.6414 2.502472       3.630617  
1 1 1 18  8   7  o 105.155 1.9317 546.820  20.050  545.429  28.213  548.239  28.498  104.916 2.7244 105.183 2.7450 -0.2666702     3.867473  
1 1 1 18  8   8  o 39.713  2.5325 78.411   9.8752  77.092   14.010  79.713   13.922  39.217  3.6616 39.898  3.5731 -0.6812325     5.116027  
1 1 1 18  8   9  o 15.397  1.8296 11.885   2.7260  11.661   2.7916  16.475   12.653  15.240  1.8968 18.435  6.0338 -3.194057      6.324864  
1 1 1 18  8   10 o 154.382 2.3829 1179.73  36.311  1162.97  51.279  1196.57  51.425  153.049 3.3945 155.254 3.3558 -2.205658      4.773243  
1 1 1 18  8   11 o 76.753  1.9740 291.336  14.955  292.004  20.954  290.644  21.350  76.765  2.7655 76.579  2.8245 0.1856003      3.952977  
1 1 1 18  8   12 o 35.981  1.1974 63.941   4.2523  52.805   5.9991  75.187   6.0284  32.626  1.8707 39.006  1.5658 -6.379925      2.439547  
1 1 1 18  8   13 o 25.847  1.1658 32.997   2.9742  21.476   4.2412  44.146   4.1720  20.729  2.1020 29.891  1.4141 -9.162695      2.533386  
1 1 1 18  8   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  8   15 o 56.637  12.878 180.763  70.364  180.763  70.364  0.0000   0.0000  56.637  12.878 ?       ?      0.000000       12.87796  
1 1 1 18  8   16 o 108.268 1.8215 579.814  19.465  546.737  27.522  612.917  27.533  105.001 2.6556 111.203 2.5085 -6.202263      3.652995  
1 1 1 18  8   17 o 66.244  2.0695 217.242  13.532  213.461  18.602  221.492  19.721  65.571  2.8741 66.777  2.9920 -1.205635      4.148845  
1 1 1 18  8   18 o 41.304  2.8814 85.128   11.674  87.789   15.963  82.070   17.115  41.757  3.9188 40.262  4.3773 1.495270       5.875175  
1 1 1 18  8   19 o 33.375  0.8535 55.003   2.8115  55.104   3.9605  54.901   3.9918  33.396  1.2015 33.334  1.2132 0.6197357E-01  1.707507  
1 1 1 18  8   20 o 47.875  2.8229 114.271  13.281  124.974  21.646  107.810  16.818  49.714  4.4587 46.325  3.7092 3.388836       5.799839  
1 1 1 18  8   21 o 38.103  6.8523 76.789   24.823  88.147   35.530  65.958   34.695  39.996  9.1926 34.496  9.7547 5.500854       13.40367  
1 1 1 18  9   0  o 70.894  1.4820 248.451  10.370  246.446  16.783  249.688  13.189  70.511  2.4115 71.034  1.8811 -0.5232162     3.058393  
1 1 1 18  9   1  o 71.216  1.9293 250.953  13.561  242.694  22.344  255.770  17.064  69.869  3.2399 71.844  2.4063 -1.975433      4.035765  
1 1 1 18  9   2  o 193.099 3.2347 1853.08  61.652  1965.06  107.740 1798.56  75.178  197.534 5.5259 189.882 4.0112 7.651825       6.828228  
1 1 1 18  9   3  o 150.464 2.5257 1121.95  37.510  1117.01  53.818  1126.62  52.309  149.798 3.6399 150.482 3.5218 -0.6839600     5.064750  
1 1 1 18  9   4  o 96.610  1.8635 461.646  17.770  452.296  25.124  471.004  25.137  95.516  2.6649 97.480  2.6125 -1.963921      3.731901  
1 1 1 18  9   5  o 152.090 2.4235 1145.73  36.382  1145.48  49.791  1146.02  53.291  151.832 3.3224 151.793 3.5569 0.3942871E-01  4.867210  
1 1 1 18  9   6  o 129.480 2.5899 830.705  33.099  824.099  57.323  834.009  40.541  128.441 4.5216 129.609 3.1690 -1.167984      5.521544  
1 1 1 18  9   7  o 18.165  1.0558 16.349   1.8849  9.8415   2.6771  22.746   2.6543  13.965  1.9993 21.422  1.2609 -7.456985      2.363687  
1 1 1 18  9   8  o 54.045  2.0632 144.497  11.006  152.772  15.563  136.217  15.567  55.439  2.8538 52.316  3.0277 3.122505       4.160638  
1 1 1 18  9   9  o 13.620  5.1141 6.9235   9.3151  6.1378   13.027  7.7457   13.326  14.935  5.9265 15.551  6.0468 -0.6150255     8.466815  
1 1 1 18  9   10 o 91.504  1.8891 414.030  17.062  410.245  23.494  418.254  24.819  91.003  2.6156 91.870  2.7370 -0.8676605     3.785825  
1 1 1 18  9   11 o 128.350 3.1624 817.528  40.063  0.0000   0.0000  817.528  40.063  ?       ?      128.350 3.1624 0.000000       3.162353  
1 1 1 18  9   12 o 50.847  2.3192 127.987  11.640  128.423  16.064  127.506  16.890  50.761  3.2228 50.550  3.4049 0.2108154      4.688271  
1 1 1 18  9   13 o 105.438 4.1504 554.250  43.194  554.250  43.194  0.0000   0.0000  105.438 4.1504 ?       ?      0.000000       4.150411  
1 1 1 18  9   14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  9   15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  9   16 o 48.231  2.2978 115.223  10.939  118.040  15.072  112.087  15.901  48.638  3.1566 47.343  3.4259 1.294174       4.658442  
1 1 1 18  9   17 o 63.448  1.7763 199.131  11.124  195.686  23.525  200.123  12.624  62.519  3.8307 63.585  2.0115 -1.065235      4.326710  
1 1 1 18  9   18 o 39.147  1.2495 75.721   4.8281  81.507   6.7672  69.721   6.8904  40.595  1.6889 37.537  1.8597 3.058353       2.512179  
1 1 1 18  9   19 o 109.955 2.1299 598.844  23.116  602.109  32.096  595.325  33.320  110.070 2.9542 109.414 3.0853 0.6563950      4.271593  
1 1 1 18  9   20 o 35.492  1.1467 62.237   4.0172  66.288   5.7205  58.294   5.6427  36.610  1.5831 34.328  1.6654 2.282333       2.297731  
1 1 1 18  9   21 o 62.569  1.4101 193.570  8.7087  186.018  12.382  200.962  12.251  61.273  2.0474 63.698  1.9485 -2.425541      2.826374  
1 1 1 18  10  1  o 21.306  1.0780 22.480   2.2598  18.196   3.2227  26.624   3.1696  19.103  1.7279 23.168  1.3925 -4.065495      2.219141  
1 1 1 18  10  2  o 29.484  3.8809 44.077   11.020  0.0000   0.0000  44.077   11.020  ?       ?      29.484  3.8809 0.000000       3.880935  
1 1 1 18  10  3  o 61.119  1.4671 184.624  8.8507  178.612  12.319  191.038  12.724  60.072  2.0777 62.127  2.0750 -2.054726      2.936384  
1 1 1 18  10  4  o 124.541 2.0881 767.679  25.668  786.958  36.372  748.551  36.230  125.920 2.9264 122.794 2.9892 3.126213       4.183220  
1 1 1 18  10  5  o 95.564  1.8860 451.751  17.790  449.588  25.099  453.935  25.219  95.225  2.6704 95.684  2.6702 -0.4592514     3.776424  
1 1 1 18  10  6  o 73.985  1.8574 270.729  13.564  270.053  19.103  271.416  19.263  73.812  2.6220 73.997  2.6375 -0.1841888     3.719007  
1 1 1 18  10  7  o 42.026  1.7168 87.323   7.1214  87.258   7.8295  87.634   17.137  42.003  1.8885 41.705  4.2211 0.2977448      4.624349  
1 1 1 18  10  8  o 93.483  1.7845 432.112  16.466  417.475  22.696  448.381  23.927  91.801  2.5047 95.132  2.5481 -3.331161      3.573037  
1 1 1 18  10  9  o 15.587  5.4238 10.967   10.227  14.229   14.508  7.7453   14.419  18.045  6.4440 15.961  6.2662 2.083853       8.988399  
1 1 1 18  10  10 o 52.097  1.3490 134.089  6.9366  127.399  9.5884  141.435  10.047  50.753  1.9140 53.477  1.9035 -2.723339      2.699404  
1 1 1 18  10  11 o 65.677  2.0737 213.416  13.443  201.671  18.506  226.538  19.560  63.762  2.9405 67.580  2.9324 -3.817905      4.152763  
1 1 1 18  10  12 o 117.451 2.9963 684.464  34.735  0.0000   0.0000  684.464  34.735  ?       ?      117.451 2.9963 0.000000       2.996270  
1 1 1 18  10  13 o 134.995 3.3174 905.509  44.203  837.588  62.512  973.432  62.513  129.318 4.8974 139.555 4.5383 -10.23738      6.676882  
1 1 1 18  10  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  10  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  10  16 o 119.243 2.2633 704.307  26.638  718.524  45.217  696.751  32.966  120.037 3.8164 118.483 2.8189 1.554634       4.744590  
1 1 1 18  10  17 o 30.397  1.1251 45.644   3.3757  52.333   4.7561  38.853   4.7920  32.537  1.4810 27.972  1.7443 4.564571       2.288209  
1 1 1 18  10  18 f 48.835  2.4253 118.242  11.691  119.077  16.615  117.423  16.452  48.770  3.4743 48.430  3.4646 0.3399658      4.906558  
1 1 1 18  10  19 o 36.161  0.8775 64.575   3.1320  60.892   4.4091  68.325   4.4497  35.103  1.2725 37.186  1.2123 -2.083080      1.757594  
1 1 1 18  10  20 o 50.063  2.4626 124.350  12.169  115.778  16.511  134.543  18.005  48.054  3.5053 51.812  3.5419 -3.758492      4.983158  
1 1 1 18  10  21 o 65.047  1.6311 209.342  10.472  199.236  13.760  223.256  16.145  63.391  2.1992 67.068  2.4389 -3.677017      3.283958  
1 1 1 18  11  2  o 100.848 1.9093 503.301  19.005  524.751  27.125  482.616  26.637  102.839 2.6723 98.611  2.7367 4.227989       3.824971  
1 1 1 18  11  3  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  11  4  o 99.513  1.9104 489.954  18.765  484.223  26.393  495.812  26.685  98.804  2.7063 99.980  2.7040 -1.175812      3.825675  
1 1 1 18  11  5  o 65.535  1.9188 212.490  12.412  228.086  17.733  197.508  17.380  67.821  2.6489 63.095  2.7907 4.726231       3.847727  
1 1 1 18  11  6  o 56.320  2.0334 156.973  11.304  156.912  15.887  157.036  16.087  56.159  2.8758 56.175  2.9112 -0.1668930E-01 4.092119  
1 1 1 18  11  7  o 121.787 2.0996 734.110  25.238  730.155  35.422  738.188  35.969  121.286 2.9589 121.944 2.9884 -0.6584244     4.205403  
1 1 1 18  11  8  o 61.848  1.7349 189.146  10.591  194.684  12.864  177.498  18.657  62.721  2.0780 59.695  3.1779 3.025932       3.796964  
1 1 1 18  11  9  o 33.969  1.1249 56.992   3.7715  55.895   5.3483  58.078   5.3192  33.626  1.6114 34.278  1.5722 -0.6517258     2.251298  
1 1 1 18  11  10 o 135.670 2.2470 911.279  30.090  936.818  42.655  885.980  42.453  137.350 3.1463 133.551 3.2205 3.798447       4.502357  
1 1 1 18  11  11 o 52.282  1.3732 135.059  7.0860  133.572  9.8008  136.687  10.257  51.964  1.9108 52.563  1.9770 -0.5982132     2.749539  
1 1 1 18  11  12 o 106.085 2.0199 556.856  21.150  551.954  29.452  562.076  30.391  105.485 2.8287 106.435 2.8928 -0.9503403     4.046015  
1 1 1 18  11  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  11  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  11  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  11  16 o 62.442  2.5256 193.337  15.566  185.952  19.333  206.947  26.246  61.065  3.2189 64.213  4.1634 -3.148209      5.262622  
1 1 1 18  11  17 o 58.201  2.2920 167.853  13.167  154.012  17.779  184.665  19.594  55.541  3.2573 60.831  3.2754 -5.289490      4.619359  
1 1 1 18  11  18 o 26.286  1.1517 34.136   2.9881  32.773   4.2833  35.427   4.1705  25.684  1.6992 26.719  1.5885 -1.034956      2.326109  
1 1 1 18  11  19 o 50.821  2.7801 128.674  13.893  143.344  22.722  119.915  17.557  53.298  4.3574 48.883  3.6654 4.414810       5.694028  
1 1 1 18  11  20 o 66.773  3.1880 222.060  21.011  194.110  30.489  247.339  28.996  61.820  5.0406 70.115  4.2092 -8.295883      6.567012  
1 1 1 18  11  21 o 22.578  1.2080 25.265   2.6822  26.940   3.6379  23.271   3.9703  23.281  1.5927 21.596  1.8813 1.684603       2.464983  
1 1 1 18  12  3  o 61.862  1.7613 189.315  10.755  201.373  17.652  182.197  13.563  63.684  2.8081 60.640  2.2660 3.044094       3.608369  
1 1 1 18  12  4  o 161.553 4.9701 1311.41  79.253  1311.41  79.253  0.0000   0.0000  161.553 4.9701 ?       ?      0.000000       4.970138  
1 1 1 18  12  5  o 76.855  1.6949 292.106  12.858  286.187  20.407  296.001  16.557  75.951  2.7222 77.316  2.1696 -1.365341      3.481038  
1 1 1 18  12  6  o 96.628  1.9041 461.973  18.161  441.790  24.516  486.518  27.034  94.385  2.6315 99.023  2.7660 -4.637634      3.817801  
1 1 1 18  12  7  o 50.501  1.3200 126.017  6.5797  125.312  9.4132  126.690  9.2006  50.327  1.8950 50.606  1.8419 -0.2793541     2.642661  
1 1 1 18  12  8  o 12.264  5.0903 1.9830   10.127  1.7778   14.516  2.1776   14.136  14.357  6.0363 14.284  5.9784 0.7278061E-01  8.495781  
1 1 1 18  12  9  o 66.038  1.7845 215.694  11.632  212.432  14.434  221.735  19.645  65.497  2.2328 66.828  2.9782 -1.330620      3.722232  
1 1 1 18  12  10 o 91.048  1.8032 410.012  16.205  405.673  22.305  414.863  23.582  90.473  2.4977 91.474  2.6119 -1.001083      3.613941  
1 1 1 18  12  11 o 85.567  1.9935 362.313  16.837  364.294  23.597  360.259  24.031  85.690  2.7900 85.203  2.8575 0.4868698      3.993614  
1 1 1 18  12  12 o 96.431  2.0134 460.197  19.164  450.113  26.591  471.095  27.642  95.240  2.8287 97.426  2.8745 -2.185837      4.032917  
1 1 1 18  12  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  12  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  12  15 o 52.720  1.5437 137.414  8.0328  146.952  11.340  127.806  11.381  54.477  2.1089 50.791  2.2701 3.685986       3.098491  
1 1 1 18  12  16 o 18.420  0.8617 16.754   1.5667  21.544   2.1641  11.478   2.2712  20.858  1.0546 15.159  1.5393 5.699282       1.865872  
1 1 1 18  12  17 o 53.540  1.0890 141.602  5.7548  140.346  8.1197  142.870  8.1574  53.276  1.5441 53.753  1.5375 -0.4773254     2.179032  
1 1 1 18  12  18 o 134.092 2.1652 890.860  28.658  874.632  40.627  906.930  40.430  132.591 3.1043 135.041 3.0332 -2.450485      4.340184  
1 1 1 18  12  19 o 133.312 2.5064 881.930  32.980  847.592  55.541  900.632  40.989  129.985 4.3290 134.527 3.0869 -4.542343      5.316864  
1 1 1 18  12  20 o 91.091  2.5023 411.908  22.498  418.753  39.914  408.721  27.237  91.278  4.4302 90.611  3.0454 0.6669846      5.376003  
1 1 1 18  12  21 o 51.128  2.7298 130.352  13.726  133.529  21.457  128.152  17.858  51.371  4.2705 50.499  3.6065 0.8720512      5.589603  
1 1 1 18  13  4  o 83.966  1.9455 348.998  16.124  352.772  22.499  345.013  23.120  84.300  2.7039 83.349  2.8103 0.9516907      3.899873  
1 1 1 18  13  5  f 36.801  1.8732 67.188   6.7817  67.188   6.7817  0.0000   0.0000  36.801  1.8732 ?       ?      0.000000       1.873222  
1 1 1 18  13  6  o 37.687  1.0304 70.151   3.8331  72.123   4.7618  66.520   6.4605  38.206  1.2627 36.670  1.7850 1.535931       2.186433  
1 1 1 18  13  7  o 50.068  1.3572 123.880  6.7070  137.069  9.3579  109.949  9.6178  52.638  1.8011 47.126  2.0677 5.512096       2.742123  
1 1 1 18  13  8  o 12.824  1.0971 8.1830   1.3753  13.348   1.9248  2.7952   1.9659  16.394  1.1978 7.5550  2.3691 8.838690       2.654712  
1 1 1 18  13  9  o 74.986  2.0288 278.338  15.016  287.598  21.319  269.220  21.154  76.115  2.8377 73.631  2.9107 2.483208       4.065085  
1 1 1 18  13  10 o 128.485 2.2446 817.716  28.466  812.219  40.085  823.309  40.432  127.818 3.1773 128.686 3.1832 -0.8679352     4.497525  
1 1 1 18  13  11 o 168.457 2.5837 1407.33  42.960  1422.64  60.786  1392.06  60.725  168.965 3.6448 167.122 3.6813 1.842422       5.180372  
1 1 1 18  13  12 o 114.862 2.0770 653.183  23.547  651.926  32.744  654.529  33.887  114.580 2.8953 114.784 2.9910 -0.2048035     4.162789  
1 1 1 18  13  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  13  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  13  15 o 85.229  2.5125 360.283  21.136  360.283  21.136  0.0000   0.0000  85.229  2.5125 ?       ?      0.000000       2.512515  
1 1 1 18  13  16 o 58.673  1.7172 170.304  9.9448  178.254  11.568  147.794  19.465  60.006  1.9532 54.309  3.6525 5.696095       4.141942  
1 1 1 18  13  17 f 39.833  1.7367 78.503   6.8279  98.925   17.389  74.781   7.4242  44.295  4.0212 38.865  1.9353 5.430527       4.462655  
1 1 1 18  13  18 o 26.309  1.1060 34.195   2.8722  45.838   4.1793  23.776   3.9538  30.450  1.3905 21.839  1.8517 8.611786       2.315655  
1 1 1 18  13  19 o 61.371  2.3416 186.820  14.184  193.228  20.810  181.260  19.385  62.151  3.4053 60.220  3.2735 1.930275       4.723572  
1 1 1 18  13  20 o 64.000  2.3915 203.286  15.107  193.826  23.160  210.292  19.932  62.119  3.7956 64.968  3.1082 -2.849754      4.905835  
1 1 1 18  13  21 o 18.850  6.5413 16.857   14.871  27.464   22.348  8.4272   19.922  23.451  8.0248 17.895  7.2504 5.556026       10.81508  
1 1 1 18  14  5  o 64.152  1.7164 203.610  10.868  207.656  13.558  196.337  18.178  64.744  2.1216 62.847  2.9304 1.896965       3.617765  
1 1 1 18  14  6  o 24.233  1.1461 29.011   2.7412  24.976   3.9048  32.933   3.8491  22.397  1.7810 25.764  1.5204 -3.366343      2.341713  
1 1 1 18  14  7  o 130.457 2.2788 843.349  29.343  857.331  41.345  829.159  41.652  131.279 3.1908 129.078 3.2692 2.200378       4.568262  
1 1 1 18  14  8  o 36.371  1.2504 65.365   4.4890  68.655   6.3587  62.096   6.3381  37.255  1.7292 35.380  1.8212 1.875175       2.511346  
1 1 1 18  14  9  o 42.748  1.6734 90.380   7.0608  98.564   15.926  88.378   7.8773  44.312  3.6745 42.259  1.8885 2.052406       4.131381  
1 1 1 18  14  10 o 32.845  3.4696 54.319   11.078  49.488   15.112  59.930   16.287  30.968  5.1233 34.185  4.9725 -3.217724      7.139575  
1 1 1 18  14  11 o 64.723  1.3206 207.018  8.4363  187.798  10.917  235.514  13.293  61.610  1.7952 68.978  1.9524 -7.368469      2.652266  
1 1 1 18  14  12 o 70.016  2.3141 242.959  15.993  230.951  33.212  246.584  18.247  67.564  5.0160 70.494  2.6225 -2.929672      5.660150  
1 1 1 18  14  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  14  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  14  15 o 52.392  1.3174 135.662  6.8128  130.659  9.6448  140.645  9.6248  51.376  1.9020 53.309  1.8292 -1.933212      2.638813  
1 1 1 18  14  16 o 73.102  3.0782 265.879  22.211  265.879  22.211  0.0000   0.0000  73.102  3.0782 ?       ?      0.000000       3.078219  
1 1 1 18  14  17 o 53.077  3.1410 140.728  16.382  136.621  31.103  142.305  19.272  51.389  6.2615 53.254  3.6892 -1.865120      7.267462  
1 1 1 18  14  18 o 87.954  2.2962 383.647  19.934  385.461  30.203  382.248  26.534  87.884  3.4818 87.626  3.0678 0.2580795      4.640546  
1 1 1 18  14  19 o 30.591  1.4785 46.283   4.4643  44.552   6.3343  47.992   6.2928  29.901  2.1608 31.052  2.0650 -1.150858      2.988834  
1 1 1 18  14  20 o 32.843  3.8661 54.774   12.293  58.115   21.853  53.227   14.868  32.938  6.9406 32.118  4.8404 0.8205528      8.461757  
1 1 1 18  15  6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  15  7  o 104.925 2.0034 545.215  20.748  522.180  27.886  573.779  31.054  102.527 2.7556 107.428 2.9286 -4.900978      4.021170  
1 1 1 18  15  8  o 29.909  0.9698 44.182   2.8629  42.279   3.5261  47.862   4.9043  29.251  1.2213 31.067  1.6049 -1.815786      2.016703  
1 1 1 18  15  9  o 55.390  1.7034 151.777  9.3130  153.901  10.695  145.115  18.940  55.756  1.9434 53.823  3.5857 1.932247       4.078501  
1 1 1 18  15  10 f 67.440  2.2171 225.374  14.758  232.305  20.076  217.224  21.770  68.359  2.9755 65.955  3.3551 2.403938       4.484446  
1 1 1 18  15  11 o 64.040  1.5733 202.814  9.9450  189.941  13.486  218.158  14.724  61.913  2.2069 66.348  2.2483 -4.434620      3.150445  
1 1 1 18  15  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  15  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  15  14 o 107.748 2.9226 577.208  31.082  577.306  40.651  577.070  48.228  107.474 3.8321 107.172 4.5592 0.3016434      5.955749  
1 1 1 18  15  15 o 67.348  1.5646 224.332  10.401  217.629  14.521  231.394  14.904  66.261  2.2202 68.326  2.2100 -2.064713      3.132658  
1 1 1 18  15  16 o 47.851  1.4113 113.208  6.6657  102.197  9.5099  123.842  9.3457  45.413  2.1216 50.012  1.8932 -4.599190      2.843516  
1 1 1 18  15  17 o 52.990  1.5252 138.880  7.9772  157.787  11.067  118.432  11.509  56.438  1.9866 48.856  2.3867 7.582592       3.105325  
1 1 1 18  15  18 o 63.395  2.5726 199.641  16.097  213.891  25.303  189.952  20.864  65.216  3.9494 61.585  3.4462 3.631355       5.241542  
1 1 1 18  15  19 o 14.098  4.9310 9.0243   8.4584  13.951   12.870  5.2789   11.222  17.360  6.0820 13.774  5.4897 3.585868       8.193140  
1 1 1 18  15  20 o 50.844  1.3185 127.830  6.6171  130.207  11.401  126.622  8.1257  51.218  2.2553 50.577  1.6277 0.6405945      2.781291  
1 1 1 18  16  8  o 85.297  1.7874 360.144  15.049  352.165  20.171  370.160  22.599  84.241  2.4259 86.320  2.6525 -2.079048      3.594505  
1 1 1 18  16  9  o 87.308  1.7907 377.302  15.431  369.362  19.429  390.870  25.397  86.306  2.2808 88.653  2.9023 -2.347000      3.691260  
1 1 1 18  16  10 o 51.475  2.3627 131.425  12.004  138.916  15.318  119.502  19.324  52.766  2.9529 48.685  4.0583 4.080956       5.018946  
1 1 1 18  16  11 o 53.298  1.5292 140.491  8.0446  138.207  11.729  142.519  11.055  52.799  2.2507 53.633  2.0882 -0.8343124     3.070194  
1 1 1 18  16  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  16  13 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  16  14 o 75.616  1.8193 283.054  13.579  275.128  19.566  290.419  18.860  74.418  2.6637 76.489  2.4981 -2.070343      3.651814  
1 1 1 18  16  15 o 98.628  1.8677 481.673  18.181  486.791  27.632  477.764  24.145  98.938  2.8295 98.099  2.4936 0.8382568      3.771480  
1 1 1 18  16  16 f 60.982  1.5866 183.983  9.5501  188.557  13.691  179.649  13.329  61.658  2.2496 60.184  2.2437 1.473328       3.177230  
1 1 1 18  16  17 o 78.734  1.7687 306.918  13.745  339.980  19.709  275.614  19.179  82.752  2.4130 74.471  2.6091 8.281479       3.553881  
1 1 1 18  16  18 o 101.951 2.2582 515.781  22.725  509.973  25.979  534.702  46.894  101.285 2.5986 102.914 4.6164 -1.628059      5.297565  
1 1 1 18  16  19 o 27.850  1.6019 38.518   4.3851  44.973   19.397  38.171   4.5016  28.867  6.9013 27.718  1.6529 1.148600       7.096506  
1 1 1 18  17  10 o 53.304  2.9316 141.868  15.364  154.128  24.355  133.763  19.802  55.141  4.5144 51.516  3.9239 3.625130       5.981357  
1 1 1 18  17  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  17  12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  17  13 o 79.006  5.9796 320.815  46.285  320.815  46.285  0.0000   0.0000  79.006  5.9796 ?       ?      0.000000       5.979600  
1 1 1 18  17  14 o 45.860  1.8346 104.154  8.3042  117.337  23.768  102.321  8.8628  47.872  5.1090 45.442  1.9760 2.429932       5.477814  
1 1 1 18  17  15 o 28.074  1.2285 38.957   3.4041  38.332   4.9498  39.518   4.6891  27.763  1.8163 28.205  1.6922 -0.4419918     2.482432  
1 1 1 18  17  16 o 105.202 2.3419 549.461  24.318  567.769  36.669  535.088  32.490  106.557 3.4865 103.559 3.1785 2.997948       4.717912  
1 1 1 18  17  17 o 71.984  1.7351 256.599  12.328  271.774  17.838  242.725  17.056  73.958  2.4436 69.888  2.4726 4.069794       3.476304  
1 1 1 18  17  18 o 84.648  2.1565 355.586  18.018  0.0000   0.0000  355.586  18.018  ?       ?      84.648  2.1565 0.000000       2.156538  
1 1 1 18  18  14 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 18  18  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  -5  4  o 81.445  1.5624 328.184  12.560  332.565  18.114  324.128  17.429  81.878  2.2414 80.843  2.1842 1.034721       3.129680  
1 1 1 19  -5  5  o 11.712  0.9147 6.8166   1.0490  8.9813   1.4857  4.6647   1.4813  13.434  1.1310 9.5775  1.6251 3.856463       1.979862  
1 1 1 19  -5  6  f 20.659  1.0596 21.142   2.1533  21.743   3.1079  20.587   2.9863  20.910  1.5161 20.346  1.4976 0.5645199      2.131015  
1 1 1 19  -4  2  o 70.144  1.5634 243.404  10.824  230.805  15.434  255.598  15.185  68.211  2.2924 71.805  2.1425 -3.593399      3.137694  
1 1 1 19  -4  3  o 72.967  1.2303 263.137  8.8606  293.923  12.611  233.118  12.453  77.072  1.6577 68.618  1.8386 8.454170       2.475559  
1 1 1 19  -4  4  o 46.593  0.9760 107.235  4.4886  112.534  6.3716  102.014  6.3243  47.711  1.3530 45.423  1.4106 2.288219       1.954577  
1 1 1 19  -4  5  o 7.5556  2.2420 2.8667   1.7927  2.6880   1.8097  12.271   13.129  7.3691  2.2669 16.868  6.1168 -9.499271      6.523350  
1 1 1 19  -4  6  o 38.591  2.6688 74.329   10.103  66.458   14.497  81.762   14.088  36.188  4.1328 40.312  3.5779 -4.123798      5.466324  
1 1 1 19  -4  7  o 55.706  2.5908 154.103  14.245  164.706  16.971  128.814  26.209  57.453  3.0031 50.155  5.3781 7.297699       6.159753  
1 1 1 19  -4  8  o 64.094  1.6902 203.289  10.693  198.320  14.983  208.446  15.265  63.219  2.4011 64.816  2.3860 -1.596176      3.385049  
1 1 1 19  -4  9  o 103.217 1.6607 527.186  16.919  547.889  23.936  506.517  23.917  105.093 2.3075 101.027 2.3985 4.066666       3.328300  
1 1 1 19  -3  1  o 122.803 1.9988 747.044  24.228  739.231  33.853  755.249  34.689  121.935 2.8127 123.237 2.8518 -1.301239      4.005553  
1 1 1 19  -3  2  o 94.772  6.3363 461.165  58.931  476.896  83.333  445.428  83.348  94.534  9.0413 91.060  9.4090 3.473557       13.04889  
1 1 1 19  -3  3  o 14.658  0.9034 10.651   1.3007  8.3515   1.6222  14.791   2.1765  12.935  1.2876 17.252  1.2875 -4.316152      1.820866  
1 1 1 19  -3  4  o 44.034  1.3102 95.833   5.6945  105.189  8.1350  86.844   7.9738  46.104  1.7877 41.881  1.9289 4.222176       2.629929  
1 1 1 19  -3  5  o 37.739  1.0658 70.356   3.9700  64.011   5.5301  77.104   5.7028  35.977  1.5573 39.490  1.4631 -3.512981      2.136774  
1 1 1 19  -3  6  o 67.954  1.5150 228.343  10.162  243.734  14.156  211.980  14.596  70.151  2.0444 65.396  2.2613 4.755058       3.048463  
1 1 1 19  -3  7  o 104.172 2.0945 537.563  21.536  536.541  36.542  538.106  26.657  103.704 3.5700 104.120 2.5939 -0.4166260     4.412818  
1 1 1 19  -3  8  o 24.808  0.9744 30.397   2.3859  18.953   3.2931  43.041   3.4615  19.495  1.7293 29.514  1.1882 -10.01851      2.098203  
1 1 1 19  -3  9  o 35.416  1.1188 61.971   3.9110  55.218   5.5422  68.670   5.5199  33.365  1.6884 37.265  1.5007 -3.900181      2.258939  
1 1 1 19  -3  10 o 58.692  2.0547 170.657  11.903  179.076  17.183  162.890  16.504  60.009  2.9010 57.154  2.9355 2.854591       4.127158  
1 1 1 19  -3  11 o 43.795  1.2584 94.800   5.4396  108.686  7.7835  81.542   7.6052  46.866  1.6826 40.579  1.8988 6.286648       2.537043  
1 1 1 19  -2  0  o 71.047  1.4775 249.617  10.361  238.078  13.643  265.338  15.925  69.328  1.9937 73.160  2.2054 -3.831459      2.973007  
1 1 1 19  -2  1  o 41.385  2.3411 85.199   9.5239  83.869   13.498  86.518   13.440  40.884  3.3751 41.543  3.3049 -0.6588440     4.723762  
1 1 1 19  -2  2  o 57.435  1.2004 162.999  6.8050  175.180  9.5596  150.486  9.6893  59.512  1.6274 55.146  1.7801 4.365929       2.411909  
1 1 1 19  -2  3  o 53.245  2.7358 141.143  14.329  146.029  15.202  102.218  42.907  54.140  2.8549 42.902  10.269 11.23843       10.65878  
1 1 1 19  -2  4  o 61.802  1.3589 188.784  8.2893  189.973  11.595  187.541  11.855  61.953  1.8962 61.550  1.9514 0.4031372      2.720899  
1 1 1 19  -2  5  o 11.558  4.3141 5.0987   6.6093  7.1542   9.6522  3.2840   9.0690  13.806  5.2015 12.109  4.8968 1.697733       7.143821  
1 1 1 19  -2  6  o 115.430 1.9658 659.603  22.397  662.324  31.778  656.918  31.570  115.488 2.7878 115.018 2.7808 0.4704971      3.937624  
1 1 1 19  -2  7  o 72.236  1.4998 257.987  10.694  280.285  14.848  233.954  15.415  75.241  1.9993 68.709  2.2729 6.531387       3.027101  
1 1 1 19  -2  8  o 77.892  1.4779 299.953  11.363  299.060  14.038  301.650  19.351  77.739  1.8294 77.982  2.5141 -0.2425842     3.109234  
1 1 1 19  -2  9  o 41.371  1.2109 84.568   4.9448  85.620   6.9873  83.513   6.9988  41.603  1.7016 41.086  1.7258 0.5166092      2.423588  
1 1 1 19  -2  10 o 30.899  1.0919 47.164   3.3300  52.074   4.8114  42.650   4.6136  32.452  1.5021 29.323  1.6001 3.129887       2.194653  
1 1 1 19  -2  11 o 46.498  1.0175 106.797  4.6698  105.026  6.6311  108.539  6.5776  46.089  1.4576 46.856  1.4222 -0.7664604     2.036526  
1 1 1 19  -2  12 o 49.448  1.3288 120.863  6.4856  120.185  9.0906  121.565  9.2556  49.271  1.8693 49.551  1.8924 -0.2803116     2.659953  
1 1 1 19  -1  0  o 64.612  1.4598 206.414  9.3095  218.968  13.850  196.066  12.574  66.480  2.1107 62.917  2.0247 3.562687       2.924805  
1 1 1 19  -1  1  o 37.639  1.1598 69.994   4.3087  58.197   6.2007  81.009   5.9916  34.242  1.8414 40.477  1.4997 -6.234524      2.374821  
1 1 1 19  -1  2  o 37.429  1.2641 69.228   4.6702  57.553   6.6420  80.644   6.5680  34.038  1.9856 40.379  1.6479 -6.341526      2.580382  
1 1 1 19  -1  3  o 17.811  1.1219 15.733   1.9622  8.7873   2.8152  22.296   2.7365  13.135  2.2526 21.200  1.3142 -8.065548      2.607937  
1 1 1 19  -1  4  o 92.853  2.0070 426.823  18.394  423.562  23.505  431.975  29.545  92.405  2.5771 93.186  3.2121 -0.7815247     4.118131  
1 1 1 19  -1  5  o 57.742  1.4788 164.821  8.4283  152.194  12.647  174.910  11.304  55.419  2.3120 59.448  1.9265 -4.029053      3.009497  
1 1 1 19  -1  6  o 21.167  0.8493 22.123   1.7744  21.261   2.5167  22.975   2.5020  20.707  1.2370 21.532  1.1818 -0.8254089     1.710759  
1 1 1 19  -1  7  o 88.743  1.5367 389.364  13.461  379.866  19.447  398.099  18.650  87.564  2.2501 89.662  2.1074 -2.098122      3.082847  
1 1 1 19  -1  8  o 88.530  1.8501 387.810  16.166  395.050  20.010  374.203  27.432  89.293  2.2704 86.736  3.2043 2.556969       3.927109  
1 1 1 19  -1  9  o 54.219  1.3025 145.269  6.9703  136.366  9.4080  156.103  10.378  52.499  1.8156 56.165  1.8721 -3.666367      2.607874  
1 1 1 19  -1  10 o 55.211  1.3163 150.640  7.1730  166.217  10.707  137.955  9.6619  57.955  1.8717 52.800  1.8539 5.155117       2.634460  
1 1 1 19  -1  11 o 96.671  1.8939 462.540  18.071  471.074  30.600  457.970  22.393  97.303  3.1861 96.116  2.3603 1.187241       3.965123  
1 1 1 19  -1  12 o 63.078  1.4179 196.691  8.8279  200.137  12.312  193.046  12.665  63.580  1.9619 62.433  2.0551 1.146133       2.841235  
1 1 1 19  -1  13 o 61.659  1.4036 187.948  8.5425  172.980  12.263  202.058  11.907  59.090  2.1026 63.887  1.8882 -4.797302      2.825966  
1 1 1 19  0   0  o 59.949  1.2335 177.591  7.2985  180.994  11.434  175.251  9.4812  60.466  1.9159 59.525  1.6137 0.9402924      2.504946  
1 1 1 19  0   1  o 82.931  1.6508 340.159  13.513  349.895  18.705  329.530  19.543  84.030  2.2552 81.521  2.4288 2.508469       3.314406  
1 1 1 19  0   2  o 53.106  2.0463 139.633  10.726  147.358  15.551  132.624  14.814  54.389  2.9073 51.588  2.9212 2.801014       4.121444  
1 1 1 19  0   3  o 35.229  1.2060 61.316   4.1934  61.521   5.9265  61.110   5.9343  35.268  1.7025 35.150  1.7105 0.1184196      2.413316  
1 1 1 19  0   4  o 22.334  0.9030 24.633   1.9907  24.814   2.4378  24.271   3.4488  22.413  1.1020 22.099  1.5918 0.3143902      1.936010  
1 1 1 19  0   5  o 92.965  2.1918 428.030  20.112  434.025  29.475  422.808  27.511  93.428  3.1962 92.249  3.0214 1.178482       4.398281  
1 1 1 19  0   6  o 32.967  2.5252 54.201   8.1546  52.385   10.966  56.446   12.197  32.251  3.5010 33.442  3.7603 -1.191277      5.137793  
1 1 1 19  0   7  o 70.943  1.5487 248.820  10.845  260.212  15.056  236.536  15.634  72.495  2.1041 69.097  2.2924 3.397560       3.111600  
1 1 1 19  0   8  o 44.204  2.2517 97.043   9.7919  88.266   14.015  105.414  13.687  41.976  3.4122 45.963  3.0340 -3.986759      4.565956  
1 1 1 19  0   9  o 35.270  2.7108 62.086   9.3650  64.913   12.689  58.704   13.879  35.915  3.6293 34.014  4.2250 1.900116       5.569753  
1 1 1 19  0   10 o 91.713  1.6264 415.931  14.723  405.134  21.250  425.900  20.418  90.412  2.3812 92.724  2.2310 -2.312248      3.263020  
1 1 1 19  0   11 o 43.394  2.5999 93.740   11.084  119.242  18.997  80.576   13.649  48.703  3.9867 40.074  3.4853 8.629223       5.295383  
1 1 1 19  0   12 o 39.384  2.4357 77.194   9.4217  83.180   13.165  70.908   13.490  40.750  3.3013 37.530  3.6893 3.219803       4.950768  
1 1 1 19  0   13 o 3.8416  1.7220 -0.6345  1.3502  2.2752   1.7256  -5.2289  2.1683  6.8861  2.2266 3.4110  1.6922 3.475081       2.796608  
1 1 1 19  0   14 o 53.809  1.2945 143.097  6.8752  144.297  9.5234  141.790  9.9356  53.999  1.7868 53.520  1.8808 0.4791451      2.594255  
1 1 1 19  1   0  o 6.3368  2.0462 1.9271   1.4577  5.9339   9.1752  1.8233   1.4764  13.127  5.0412 6.2299  2.0621 6.897418       5.446654  
1 1 1 19  1   1  o 93.331  1.7734 430.937  16.337  438.836  21.825  420.871  24.638  94.095  2.3499 92.084  2.7107 2.011261       3.587484  
1 1 1 19  1   2  o 98.295  1.4453 477.583  14.022  506.395  19.842  448.840  19.818  101.146 1.9875 95.207  2.1089 5.939087       2.897872  
1 1 1 19  1   3  o 59.414  1.5173 174.505  8.8980  166.642  15.122  178.669  11.005  57.961  2.6433 60.093  1.8553 -2.132706      3.229420  
1 1 1 19  1   4  o 34.165  1.1230 57.657   3.7870  59.363   5.3347  55.925   5.3769  34.652  1.5597 33.631  1.6198 1.020809       2.248666  
1 1 1 19  1   5  o 62.844  2.4252 195.732  15.043  213.317  53.077  194.196  15.687  63.561  8.6877 62.585  2.5394 0.9759445      9.051235  
1 1 1 19  1   6  f 51.128  1.2861 129.163  6.4904  114.733  9.1145  144.008  9.2446  48.153  1.9177 53.961  1.7357 -5.807400      2.586537  
1 1 1 19  1   7  o 9.8810  3.9859 2.1658   5.9928  2.7567   9.1195  1.7166   7.9505  11.968  4.8842 10.940  4.5230 1.027577       6.656777  
1 1 1 19  1   8  o 89.330  1.6687 394.604  14.714  390.287  18.215  402.711  24.961  88.792  2.0783 90.080  2.8074 -1.288269      3.492954  
1 1 1 19  1   9  o 70.739  1.2583 247.237  8.7857  250.831  12.430  243.649  12.420  71.212  1.7684 70.183  1.7929 1.029106       2.518265  
1 1 1 19  1   10 o 83.607  1.6996 345.697  14.026  334.518  19.323  358.147  20.391  82.161  2.3827 85.006  2.4303 -2.845154      3.403465  
1 1 1 19  1   11 o 90.935  2.0705 409.385  18.584  390.438  30.947  420.071  23.241  88.538  3.5412 92.038  2.5583 -3.499664      4.368670  
1 1 1 19  1   12 o 60.184  1.3407 178.998  7.9645  180.458  11.485  177.646  11.054  60.386  1.9270 59.918  1.8691 0.4674034      2.684529  
1 1 1 19  1   13 o 88.045  1.6947 383.417  14.728  370.148  20.212  398.438  21.505  86.416  2.3696 89.648  2.4303 -3.231537      3.394305  
1 1 1 19  1   14 o 74.935  1.6151 277.703  11.946  277.497  16.539  277.929  17.273  74.834  2.2391 74.879  2.3370 -0.4473114E-01 3.236555  
1 1 1 19  1   15 o 38.935  1.6058 74.977   6.1711  74.881   14.880  74.997   6.7818  38.497  3.9732 38.931  1.7649 -0.4336929     4.347572  
1 1 1 19  2   0  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  2   1  o 40.091  6.6908 83.988   25.543  84.157   37.021  83.835   35.288  39.200  9.6361 39.230  9.2618 -0.3068924E-01 13.36545  
1 1 1 19  2   2  o 47.697  6.3465 117.417  29.137  118.007  42.019  116.870  40.438  46.680  9.4441 46.576  9.1226 0.1040192      13.13064  
1 1 1 19  2   3  o 61.136  6.1895 191.270  36.835  187.555  52.607  194.843  51.594  59.263  9.2996 60.616  8.8874 -1.353088      12.86344  
1 1 1 19  2   4  o 61.310  3.2438 187.396  19.560  187.210  21.160  188.488  51.281  61.225  3.5162 59.571  9.0021 1.654366       9.664503  
1 1 1 19  2   5  o 59.822  2.5598 177.424  15.115  191.771  20.999  162.002  21.773  61.986  3.4458 56.862  3.9029 5.123585       5.206407  
1 1 1 19  2   6  o 65.868  3.2682 215.706  21.248  187.025  50.749  221.802  23.398  59.391  8.9337 66.653  3.5694 -7.261868      9.620411  
1 1 1 19  2   7  o 27.796  1.0011 38.156   2.7466  41.575   3.9294  34.890   3.8406  29.006  1.3725 26.528  1.4726 2.477560       2.013014  
1 1 1 19  2   8  o 50.212  1.9565 124.755  9.6964  121.684  13.775  127.771  13.651  49.438  2.8348 50.678  2.7392 -1.239750      3.942047  
1 1 1 19  2   9  o 94.659  1.9527 443.386  18.244  428.368  23.020  468.754  29.918  92.962  2.5087 97.130  3.1206 -4.167648      4.004021  
1 1 1 19  2   10 o 74.847  1.5583 276.944  11.512  285.287  15.822  267.556  16.782  75.912  2.1116 73.492  2.3136 2.419998       3.132309  
1 1 1 19  2   11 o 110.674 1.7750 605.866  19.390  605.370  27.416  606.363  27.427  110.504 2.5136 110.595 2.5125 -0.9071350E-01 3.554032  
1 1 1 19  2   12 o 9.9521  1.2816 4.9747   1.2297  12.056   2.0499  0.9938   1.5370  15.561  1.3479 5.4202  2.0676 10.14111       2.468173  
1 1 1 19  2   13 o 45.353  1.2370 101.628  5.5374  99.158   7.8059  104.131  7.8564  44.772  1.7664 45.883  1.7348 -1.110874      2.475765  
1 1 1 19  2   14 o 12.230  0.9982 7.4368   1.1945  -0.7015  1.7251  14.933   1.6557  4.4041  1.9622 17.362  0.9701 -12.95762      2.188894  
1 1 1 19  2   15 o 118.520 2.3230 696.270  27.176  702.238  34.638  686.714  43.830  118.868 2.9522 117.282 3.7862 1.585754       4.801130  
1 1 1 19  2   16 o 58.405  1.9117 168.881  11.020  166.770  50.596  168.986  11.291  55.344  9.6109 58.419  1.9582 -3.075130      9.808401  
1 1 1 19  3   0  o 73.790  6.2266 278.828  44.927  283.976  63.876  273.787  63.201  73.053  9.0525 71.664  9.1434 1.389473       12.86661  
1 1 1 19  3   1  o 58.678  6.1824 176.560  35.268  189.193  50.494  164.526  49.281  59.655  8.8433 55.325  9.3582 4.329449       12.87555  
1 1 1 19  3   2  o 44.898  7.4896 105.932  32.021  105.231  39.902  107.201  53.669  44.035  9.4623 43.609  12.062 0.4256592      15.33078  
1 1 1 19  3   3  o 77.758  6.1710 308.141  46.973  299.958  66.715  316.185  66.149  75.315  9.1632 77.544  8.7982 -2.229111      12.70325  
1 1 1 19  3   4  o 45.559  6.1035 106.785  26.756  113.965  38.271  99.921   37.421  46.198  8.7123 43.062  9.0897 3.136826       12.59081  
1 1 1 19  3   5  o 36.674  7.0929 70.782   24.747  79.130   30.702  55.303   41.809  38.461  8.3287 32.694  10.977 5.767742       13.77928  
1 1 1 19  3   6  o 34.989  11.228 65.396   43.945  65.396   43.945  0.0000   0.0000  34.989  11.228 ?       ?      0.000000       11.22833  
1 1 1 19  3   7  o 19.471  1.5402 18.857   2.9359  18.857   2.9359  0.0000   0.0000  19.471  1.5402 ?       ?      0.000000       1.540205  
1 1 1 19  3   8  o 54.099  0.9327 144.525  4.9802  133.400  7.0302  155.732  7.0560  51.958  1.3708 56.144  1.2733 -4.185619      1.870941  
1 1 1 19  3   9  o 122.968 1.9177 748.123  23.276  735.010  32.914  761.240  32.919  121.729 2.7394 123.892 2.6920 -2.163765      3.840703  
1 1 1 19  3   10 o 43.503  2.2288 93.963   9.5383  92.217   13.500  95.703   13.479  42.958  3.2069 43.778  3.1402 -0.8194962     4.488316  
1 1 1 19  3   11 o 28.160  3.0169 39.827   8.2551  44.398   11.959  35.666   11.409  29.523  4.2244 26.332  4.5547 3.190744       6.212149  
1 1 1 19  3   12 o 64.456  1.9072 205.567  12.134  224.131  17.953  189.957  16.463  67.215  2.7061 61.880  2.6954 5.334923       3.819457  
1 1 1 19  3   13 o 37.044  1.1314 67.785   4.1368  67.559   5.9112  68.002   5.7912  36.964  1.6202 37.086  1.5821 -0.1226349     2.264484  
1 1 1 19  3   14 o 35.299  2.7163 62.191   9.3912  65.724   13.954  59.265   12.698  36.068  3.9862 34.262  3.8197 1.805901       5.520846  
1 1 1 19  3   15 o 121.238 2.0491 727.776  24.521  760.909  34.984  695.781  34.379  123.775 2.8636 118.338 2.9433 5.436806       4.106486  
1 1 1 19  3   16 o 51.993  1.1527 133.559  5.9158  128.494  7.2840  143.373  10.140  50.982  1.4475 53.818  1.9088 -2.836597      2.395569  
1 1 1 19  3   17 o 46.199  1.6067 105.576  7.3267  80.739   38.411  106.514  7.4638  38.072  10.068 46.402  1.6296 -8.330116      10.19866  
1 1 1 19  4   0  o 26.948  3.5188 36.791   9.1364  39.813   14.735  34.904   11.645  27.586  5.6028 25.980  4.7148 1.605347       7.322645  
1 1 1 19  4   1  o 32.755  6.5075 56.400   20.297  71.368   29.468  42.888   27.999  36.408  8.3745 28.591  8.9368 7.817183       12.24739  
1 1 1 19  4   2  o 13.965  5.3428 6.8291   10.282  -1.1121  16.198  12.188   13.306  14.437  6.2313 16.956  6.1565 -2.518623      8.759602  
1 1 1 19  4   3  o 68.890  8.9763 250.741  59.587  250.741  59.587  0.0000   0.0000  68.890  8.9763 ?       ?      0.000000       8.976322  
1 1 1 19  4   4  o 95.067  13.265 505.685  121.085 505.685  121.085 0.0000   0.0000  95.067  13.265 ?       ?      0.000000       13.26548  
1 1 1 19  4   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  4   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  4   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  4   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  4   9  o 175.989 2.6324 1535.59  45.726  1550.88  64.589  1520.24  64.744  176.464 3.7083 174.692 3.7549 1.771988       5.277324  
1 1 1 19  4   10 o 61.384  1.4631 186.226  8.8646  185.612  12.216  186.910  12.883  61.243  2.0209 61.448  2.1242 -0.2048492     2.931931  
1 1 1 19  4   11 o 31.547  0.8294 49.138   2.5825  49.909   3.6631  48.376   3.6415  31.786  1.1676 31.294  1.1789 0.4920368      1.659235  
1 1 1 19  4   12 o 85.807  1.6189 364.038  13.711  370.764  19.914  357.975  18.906  86.511  2.3322 85.016  2.2530 1.494255       3.242704  
1 1 1 19  4   13 o 36.845  2.6444 67.673   9.5527  67.291   13.879  68.018   13.168  36.524  3.9107 36.768  3.6777 -0.2443199     5.368355  
1 1 1 19  4   14 o 50.370  2.1761 125.647  10.819  120.237  15.256  131.121  15.345  49.079  3.1661 51.282  3.0452 -2.202904      4.392868  
1 1 1 19  4   15 o 22.190  0.8025 24.312   1.7578  22.024   2.4755  26.639   2.4963  21.080  1.1947 23.223  1.0891 -2.142721      1.616580  
1 1 1 19  4   16 o 159.402 2.4300 1259.88  38.232  1244.07  54.264  1275.47  53.874  158.010 3.4793 160.022 3.4109 -2.011444      4.872347  
1 1 1 19  4   17 o 138.584 2.2463 951.905  30.727  907.284  43.558  996.105  43.352  134.975 3.2695 141.490 3.1042 -6.515503      4.508374  
1 1 1 19  5   1  o 49.130  1.9461 119.466  9.4372  119.493  13.920  119.444  12.838  48.966  2.8929 48.992  2.6649 -0.2586365E-01 3.933237  
1 1 1 19  5   2  o 140.668 2.0536 979.530  28.513  989.775  40.488  969.450  40.161  141.187 2.9053 139.728 2.9120 1.459106       4.113472  
1 1 1 19  5   3  o 16.767  1.0538 13.939   1.7351  9.7448   2.4140  18.423   2.4957  13.921  1.7989 19.264  1.3205 -5.342628      2.231559  
1 1 1 19  5   4  o 75.477  2.0947 281.988  15.605  291.491  26.761  277.092  19.209  76.525  3.5430 74.758  2.6033 1.767319       4.396567  
1 1 1 19  5   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  5   6  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  5   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  5   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  5   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  5   10 o 100.088 2.0050 495.711  19.808  493.927  28.436  497.393  27.606  99.764  2.8878 100.132 2.7932 -0.3672791     4.017635  
1 1 1 19  5   11 o 63.506  1.4834 199.335  9.2983  214.287  12.955  183.451  13.354  65.805  1.9946 60.867  2.2227 4.938244       2.986414  
1 1 1 19  5   12 o 55.452  1.4360 151.969  7.8596  144.637  10.957  159.740  11.280  54.057  2.0536 56.813  2.0116 -2.755653      2.874650  
1 1 1 19  5   13 o 36.124  0.8306 64.434   2.9615  60.503   4.1752  68.414   4.2013  34.995  1.2088 37.215  1.1438 -2.219700      1.664113  
1 1 1 19  5   14 o 55.032  1.0539 149.582  5.7245  144.450  8.0916  154.723  8.0996  54.056  1.5166 55.948  1.4667 -1.892174      2.109780  
1 1 1 19  5   15 o 26.032  1.1124 33.476   2.8582  33.547   4.1223  33.409   3.9664  25.997  1.6145 25.949  1.5558 0.4820251E-01  2.242134  
1 1 1 19  5   16 o 89.823  2.3857 399.945  21.151  370.320  36.732  414.641  25.870  85.887  4.3471 91.368  2.8686 -5.480675      5.208276  
1 1 1 19  5   17 o 19.886  1.4454 19.653   2.8177  18.399   11.739  19.730   2.9026  18.973  5.7618 19.921  1.4869 -0.9483261     5.950604  
1 1 1 19  5   18 o 46.304  1.2059 105.951  5.5113  95.750   7.7127  116.595  7.8781  43.985  1.7765 48.547  1.6441 -4.562096      2.420549  
1 1 1 19  6   1  o 55.470  1.3249 152.058  7.2541  153.575  10.560  150.703  9.9819  55.704  1.9207 55.187  1.8325 0.5163040      2.654613  
1 1 1 19  6   2  o 99.033  1.9042 485.304  18.614  512.810  26.209  457.309  26.440  101.682 2.6114 95.988  2.7907 5.693909       3.821969  
1 1 1 19  6   3  o 88.087  1.7821 383.795  15.494  388.992  20.893  377.443  23.098  88.603  2.3890 87.232  2.6826 1.370766       3.592170  
1 1 1 19  6   4  o 105.239 1.8685 547.896  19.409  579.005  28.473  520.891  26.527  108.051 2.6697 102.494 2.6222 5.557022       3.742082  
1 1 1 19  6   5  o 103.426 1.9326 529.250  19.729  532.493  27.750  525.935  28.053  103.615 2.7134 102.966 2.7603 0.6489716      3.870609  
1 1 1 19  6   6  o 109.382 2.7055 593.379  29.210  626.927  41.331  559.903  41.286  112.184 3.7326 105.959 3.9476 6.224533       5.432834  
1 1 1 19  6   7  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  6   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  6   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  6   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  6   11 o 114.851 2.0706 652.874  23.473  623.687  32.802  683.506  33.604  112.085 2.9650 117.351 2.9012 -5.266838      4.148267  
1 1 1 19  6   12 o 64.526  2.0574 206.079  13.104  217.555  18.549  194.647  18.513  66.211  2.8383 62.608  2.9959 3.602612       4.126893  
1 1 1 19  6   13 f 150.711 2.2877 1125.13  34.031  1154.86  48.901  1097.20  47.389  152.404 3.2508 148.556 3.2319 3.847458       4.583985  
1 1 1 19  6   14 o 26.850  3.3032 36.387   8.5694  38.182   12.392  34.741   11.864  27.208  4.7891 25.918  4.8147 1.289732       6.790952  
1 1 1 19  6   15 o 32.055  1.2919 50.774   4.0876  51.149   4.2465  46.047   15.083  32.172  1.3373 29.811  5.3213 2.361143       5.486736  
1 1 1 19  6   16 o 122.207 2.3627 740.233  28.500  711.023  48.270  755.865  35.312  119.257 4.1007 123.357 2.9002 -4.099350      5.022598  
1 1 1 19  6   17 o 109.141 2.0299 589.844  21.868  572.339  29.993  609.710  31.952  107.340 2.8309 110.766 2.9225 -3.425346      4.068778  
1 1 1 19  6   18 o 79.660  1.6227 313.893  12.759  315.453  18.341  312.431  17.760  79.760  2.3297 79.387  2.2665 0.3728943      3.250322  
1 1 1 19  7   2  o 55.236  1.9126 150.989  10.428  143.400  14.050  160.297  15.560  53.762  2.6476 56.827  2.7740 -3.064610      3.834726  
1 1 1 19  7   3  o 71.469  1.6753 252.589  11.818  244.383  15.004  266.001  19.181  70.251  2.1638 73.231  2.6537 -2.979317      3.424013  
1 1 1 19  7   4  o 59.307  1.2190 173.763  7.1356  180.485  9.4469  164.833  10.889  60.421  1.5840 57.719  1.9112 2.702225       2.482349  
1 1 1 19  7   5  o 38.291  2.4375 72.943   9.1643  84.491   13.545  63.192   12.446  41.082  3.3699 35.447  3.6074 5.634964       4.936578  
1 1 1 19  7   6  o 64.410  1.9453 205.271  12.367  197.522  17.352  213.271  17.631  63.098  2.7861 65.572  2.7241 -2.474758      3.896607  
1 1 1 19  7   7  o 69.170  1.8522 236.673  12.646  239.697  17.901  233.661  17.868  69.532  2.6083 68.647  2.6370 0.8845520      3.709012  
1 1 1 19  7   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  7   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  7   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  7   11 o 43.700  1.3583 94.365   5.8587  84.519   8.2484  104.390  8.3231  41.326  2.0221 45.939  1.8356 -4.612865      2.731009  
1 1 1 19  7   12 o 139.923 2.4180 970.154  33.395  952.086  47.226  988.225  47.231  138.322 3.4590 140.944 3.3950 -2.622040      4.846756  
1 1 1 19  7   13 o 57.785  1.3175 164.992  7.5143  158.570  9.2061  177.810  13.007  56.629  1.6470 59.921  2.1991 -3.292023      2.747523  
1 1 1 19  7   14 o 72.000  1.5954 256.314  11.338  252.778  15.760  260.106  16.322  71.438  2.2352 72.460  2.2821 -1.022484      3.194369  
1 1 1 19  7   15 o 87.367  1.5899 377.414  13.711  385.177  18.944  368.875  19.869  88.188  2.1763 86.279  2.3331 1.909111       3.190533  
1 1 1 19  7   16 o 30.279  1.1350 45.291   3.3922  42.002   4.8791  48.369   4.7196  29.091  1.7067 31.278  1.5287 -2.187302      2.291237  
1 1 1 19  7   17 o 33.021  1.4358 53.903   4.6797  55.128   4.8834  40.134   16.375  33.392  1.4816 27.579  6.1697 5.813288       6.345093  
1 1 1 19  7   18 o 36.049  3.5620 65.447   12.508  63.035   15.269  70.370   21.811  35.160  4.5032 36.686  6.2472 -1.525311      7.701073  
1 1 1 19  8   2  o 46.474  1.5610 106.795  7.1605  101.760  8.2608  122.010  14.360  45.347  1.8456 49.465  2.9546 -4.117390      3.483698  
1 1 1 19  8   3  o 68.136  1.5355 229.520  10.327  230.474  14.176  228.441  15.073  68.225  2.1052 67.908  2.2487 0.3173904      3.080356  
1 1 1 19  8   4  o 144.560 2.4594 1035.80  35.092  1056.79  50.084  1015.54  49.184  145.703 3.4825 142.829 3.4888 2.874100       4.929491  
1 1 1 19  8   5  o 43.701  1.2741 94.358   5.4958  100.848  7.7369  87.748   7.8079  45.157  1.7358 42.115  1.8783 3.042393       2.557574  
1 1 1 19  8   6  o 117.393 2.0676 682.125  23.958  686.020  33.726  678.158  34.039  117.559 2.9065 116.873 2.9507 0.6858749      4.141840  
1 1 1 19  8   7  o 175.016 2.6315 1518.87  45.458  1471.13  63.914  1567.73  64.667  171.818 3.7687 177.403 3.6930 -5.585464      5.276534  
1 1 1 19  8   8  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  8   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  8   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  8   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  8   12 o 76.582  2.0017 290.257  15.131  303.065  21.597  277.910  21.205  78.149  2.7999 74.825  2.8711 3.323982       4.010349  
1 1 1 19  8   13 o 13.035  5.2075 4.3945   10.122  3.7483   14.130  5.0754   14.505  14.685  6.0462 15.201  6.1767 -0.5160666     8.643417  
1 1 1 19  8   14 o 70.509  1.5936 245.815  11.091  239.965  15.995  251.232  15.392  69.592  2.3285 71.223  2.1895 -1.631401      3.196249  
1 1 1 19  8   15 o 66.988  1.5671 221.871  10.361  216.865  14.887  226.574  14.430  66.160  2.2797 67.638  2.1615 -1.478195      3.141503  
1 1 1 19  8   16 o 40.257  3.6698 81.467   14.422  73.884   20.662  88.671   20.139  37.825  5.7122 41.706  4.9914 -3.880985      7.585796  
1 1 1 19  8   17 o 41.167  2.6226 84.440   10.601  84.763   14.414  84.058   15.644  41.076  3.5914 40.833  3.9302 0.2431107      5.323993  
1 1 1 19  8   18 o 36.216  1.0373 64.790   3.7079  72.579   5.2874  57.252   5.2013  38.317  1.3980 34.025  1.5488 4.291973       2.086425  
1 1 1 19  8   19 o 123.077 6.4761 778.897  78.395  785.216  111.094 772.631  110.642 120.964 9.3780 119.942 9.4216 1.021759       13.29337  
1 1 1 19  9   3  o 58.277  1.3123 167.838  7.5486  175.646  13.079  163.938  9.2434  59.542  2.2255 57.576  1.6265 1.966850       2.756504  
1 1 1 19  9   4  o 70.295  1.5713 244.318  10.902  235.761  15.031  253.817  15.837  68.992  2.2072 71.581  2.2416 -2.589073      3.145853  
1 1 1 19  9   5  o 165.878 2.8524 1365.89  46.701  1390.66  66.046  1341.11  66.046  166.902 4.0091 163.867 4.0834 3.035019       5.722524  
1 1 1 19  9   6  o 52.341  1.4097 135.393  7.2830  129.864  10.163  141.232  10.443  51.224  2.0100 53.421  1.9804 -2.197292      2.821723  
1 1 1 19  9   7  o 119.787 2.0863 710.310  24.667  730.881  34.857  689.673  34.912  121.336 2.9105 117.843 3.0015 3.492172       4.180892  
1 1 1 19  9   8  o 74.419  3.9673 277.088  29.036  277.088  29.036  0.0000   0.0000  74.419  3.9673 ?       ?      0.000000       3.967275  
1 1 1 19  9   9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  9   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  9   11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  9   12 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  9   13 o 112.429 2.0306 625.711  22.534  593.103  30.965  662.419  32.855  109.297 2.8704 115.504 2.8818 -6.207527      4.067408  
1 1 1 19  9   14 o 62.823  1.4837 195.097  9.2004  159.136  12.637  235.666  13.422  56.677  2.2589 69.003  1.9706 -12.32613      2.997651  
1 1 1 19  9   15 o 35.647  1.1329 62.774   3.9863  65.817   5.6350  59.726   5.6399  36.485  1.5648 34.752  1.6442 1.732643       2.269796  
1 1 1 19  9   16 o 36.019  0.9936 64.078   3.5323  66.163   4.3541  60.065   6.0414  36.594  1.2055 34.799  1.7646 1.794365       2.137082  
1 1 1 19  9   17 o 51.367  1.0757 130.342  5.4539  124.918  9.3516  133.138  6.7139  50.237  1.8860 51.903  1.3105 -1.665829      2.296587  
1 1 1 19  9   18 o 93.144  1.9680 429.618  18.093  420.976  25.289  438.681  25.896  92.047  2.7835 93.960  2.7923 -1.913612      3.942635  
1 1 1 19  9   19 o 61.807  1.5369 188.952  9.3763  190.240  13.058  187.581  13.472  61.953  2.1354 61.508  2.2190 0.4449577      3.079607  
1 1 1 19  10  4  o 27.516  0.9103 37.390   2.4724  48.043   4.3119  32.172   3.0177  31.176  1.4012 25.518  1.1981 5.658772       1.843628  
1 1 1 19  10  5  o 90.262  1.8612 403.132  16.582  387.015  23.945  417.982  22.985  88.304  2.7473 91.807  2.5365 -3.503075      3.739197  
1 1 1 19  10  6  o 71.168  1.3469 250.294  9.4611  250.960  13.380  249.629  13.380  71.215  1.9035 71.026  1.9086 0.1896057      2.695530  
1 1 1 19  10  7  o 108.681 1.9820 584.570  21.262  568.317  29.480  602.190  30.694  107.010 2.7910 110.146 2.8233 -3.135750      3.969986  
1 1 1 19  10  8  o 78.043  2.2523 301.682  17.350  332.453  30.977  287.616  20.943  81.643  3.8440 76.128  2.7872 5.515045       4.748134  
1 1 1 19  10  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  10  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  10  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  10  12 o 18.334  5.3593 17.267   10.310  15.192   13.938  19.774   15.320  18.176  6.3314 20.093  6.6422 -1.916782      9.176318  
1 1 1 19  10  13 o 48.613  3.5073 118.299  16.716  118.299  16.716  0.0000   0.0000  48.613  3.5073 ?       ?      0.000000       3.507308  
1 1 1 19  10  14 f 99.337  2.0615 488.585  20.213  477.457  28.036  500.631  29.169  98.045  2.8971 100.386 2.9439 -2.340805      4.130321  
1 1 1 19  10  15 o 63.432  2.1945 199.322  13.740  192.796  18.570  207.217  20.424  62.280  3.0208 64.538  3.2062 -2.258137      4.405119  
1 1 1 19  10  16 o 45.658  2.6992 103.842  12.110  86.324   16.453  124.551  17.889  41.351  4.0846 49.837  3.6623 -8.485497      5.485965  
1 1 1 19  10  17 o 78.940  2.1811 308.773  16.995  293.092  23.522  325.899  24.581  76.751  3.1049 80.939  3.0769 -4.187485      4.371275  
1 1 1 19  10  18 o 36.513  1.1386 65.873   4.1033  59.458   5.7868  72.360   5.8194  34.666  1.6912 38.250  1.5414 -3.584881      2.288249  
1 1 1 19  10  19 o 56.516  2.9390 159.364  16.338  146.503  23.347  171.707  22.872  53.804  4.4358 58.408  3.9912 -4.604252      5.967098  
1 1 1 19  11  5  o 75.506  2.2560 282.512  16.813  280.177  29.725  283.611  20.388  74.752  4.0437 75.581  2.7329 -0.8285828     4.880635  
1 1 1 19  11  6  o 62.884  1.7265 195.609  10.716  178.767  17.503  205.707  13.554  59.983  2.9563 64.448  2.1306 -4.465221      3.644047  
1 1 1 19  11  7  o 37.572  1.0408 69.726   3.8599  66.145   6.4190  71.753   4.8310  36.566  1.7785 38.106  1.2844 -1.540337      2.193794  
1 1 1 19  11  8  o 83.538  1.8689 345.303  15.410  334.296  20.148  360.817  23.920  82.114  2.4859 85.248  2.8428 -3.134857      3.776387  
1 1 1 19  11  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  11  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  11  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  11  12 o 13.491  5.2766 5.6398   10.193  2.0809   13.937  9.7320   14.945  14.151  5.9303 16.687  6.4273 -2.535442      8.745195  
1 1 1 19  11  13 o 65.445  1.5233 211.758  9.8404  205.337  13.604  218.804  14.251  64.389  2.1405 66.464  2.1724 -2.074455      3.049769  
1 1 1 19  11  14 o 21.933  1.6735 23.932   3.5956  23.932   3.5956  0.0000   0.0000  21.933  1.6735 ?       ?      0.000000       1.673475  
1 1 1 19  11  15 o 146.054 2.9066 1059.97  41.902  964.201  72.923  1107.18  51.199  138.186 5.3465 149.052 3.4801 -10.86613      6.379315  
1 1 1 19  11  16 o 89.626  1.7327 397.431  15.328  395.649  20.301  399.793  23.379  89.339  2.3022 89.743  2.6393 -0.4043427     3.502248  
1 1 1 19  11  17 o 83.628  1.7753 346.105  14.654  319.479  20.387  374.572  21.080  80.226  2.5745 86.890  2.4579 -6.664444      3.559415  
1 1 1 19  11  18 o 49.986  2.4354 123.986  12.016  114.331  16.470  134.971  17.568  47.733  3.5206 51.901  3.4491 -4.167366      4.928589  
1 1 1 19  11  19 o 80.298  2.0762 319.575  16.455  313.902  22.636  325.934  23.964  79.424  2.8874 80.905  3.0009 -1.481155      4.164451  
1 1 1 19  12  6  o 56.184  2.2144 156.423  12.280  155.404  17.281  157.463  17.453  55.798  3.1506 56.165  3.1612 -0.3673363     4.463066  
1 1 1 19  12  7  o 16.161  1.4297 13.012   2.2571  12.321   13.596  13.032   2.2889  17.062  6.2189 16.172  1.4493 0.8905849      6.385513  
1 1 1 19  12  8  o 21.072  1.1204 21.996   2.3218  22.547   3.3152  21.466   3.2528  21.294  1.5887 20.774  1.5987 0.5206165      2.253842  
1 1 1 19  12  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  12  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  12  11 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  12  12 o 130.197 2.2696 839.994  29.167  804.190  40.657  877.958  41.866  127.125 3.2402 132.843 3.1929 -5.718513      4.549024  
1 1 1 19  12  13 o 90.139  2.0626 402.357  18.351  403.405  25.600  401.250  26.319  90.111  2.8782 89.851  2.9677 0.2597046      4.134193  
1 1 1 19  12  14 o 107.567 1.9770 572.866  20.991  555.637  29.847  589.728  29.527  105.752 2.8594 108.977 2.7450 -3.224388      3.963748  
1 1 1 19  12  15 o 68.339  1.9280 231.210  13.005  230.331  14.705  234.366  27.861  68.179  2.1852 68.296  4.1527 -0.1169968     4.692546  
1 1 1 19  12  16 o 56.112  1.4242 155.664  7.8878  161.408  11.196  150.003  11.115  57.090  1.9868 55.031  2.0463 2.059578       2.852133  
1 1 1 19  12  17 o 88.015  1.7663 383.403  15.345  355.858  21.991  409.542  21.422  84.648  2.6320 90.859  2.3887 -6.211136      3.554369  
1 1 1 19  12  18 o 36.839  1.2831 67.081   4.6653  58.203   6.6203  75.839   6.5754  34.221  1.9682 39.146  1.7018 -4.924484      2.601934  
1 1 1 19  13  7  o 94.415  2.0422 441.542  19.031  427.349  26.397  456.906  27.464  92.718  2.8844 95.866  2.9024 -3.148438      4.091945  
1 1 1 19  13  8  o 58.983  1.4378 171.998  8.3709  176.828  11.538  166.632  12.163  59.761  1.9561 57.996  2.1247 1.765430       2.888033  
1 1 1 19  13  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  13  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  13  11 o 25.316  7.7088 33.548   20.993  33.548   20.993  0.0000   0.0000  25.316  7.7088 ?       ?      0.000000       7.708772  
1 1 1 19  13  12 o 98.444  2.1017 480.043  20.422  455.610  28.420  506.128  29.365  95.721  3.0080 100.903 2.9485 -5.182144      4.212070  
1 1 1 19  13  13 o 40.217  2.9445 80.829   11.607  81.086   16.086  80.549   16.765  40.042  4.1292 39.861  4.3308 0.1819534      5.983830  
1 1 1 19  13  14 o 13.885  1.3811 9.6237   1.8677  15.624   2.5667  2.8708   2.7228  17.715  1.4815 8.0438  2.7986 9.670845       3.166550  
1 1 1 19  13  15 o 96.864  2.4915 465.608  23.820  452.848  41.185  472.021  29.200  94.978  4.3933 97.398  3.0373 -2.420326      5.340984  
1 1 1 19  13  16 o 135.622 2.3616 912.410  31.614  874.080  43.910  953.657  45.551  132.396 3.3601 138.301 3.3369 -5.905319      4.735551  
1 1 1 19  13  17 o 51.818  3.1679 134.283  16.125  145.630  27.694  128.463  19.834  53.352  5.3303 50.477  4.0141 2.875355       6.672647  
1 1 1 19  13  18 o 50.462  3.2418 127.527  16.061  105.727  26.567  140.084  20.163  45.063  6.1322 52.731  3.9017 -7.667683      7.268215  
1 1 1 19  14  9  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  14  10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 19  14  11 o 109.705 3.9078 602.061  42.315  602.061  42.315  0.0000   0.0000  109.705 3.9078 ?       ?      0.000000       3.907785  
1 1 1 19  14  12 o 32.493  3.7725 53.448   11.874  59.487   16.233  46.499   17.414  34.007  4.9840 29.689  6.1449 4.317793       7.912041  
1 1 1 19  14  13 o 30.165  4.0546 46.353   11.766  43.653   15.745  49.768   17.708  28.843  5.7325 30.758  6.0484 -1.915068      8.333334  
1 1 1 19  14  14 o 60.866  1.1892 183.073  7.1444  166.989  10.082  199.294  10.125  58.086  1.7586 63.470  1.6162 -5.384338      2.388441  
1 1 1 19  14  15 o 31.588  1.2498 49.317   3.8967  53.332   5.5064  45.289   5.5152  32.784  1.7076 30.187  1.8601 2.596930       2.525038  
1 1 1 19  14  16 o 46.878  2.0296 108.895  9.3912  0.0000   0.0000  108.895  9.3912  ?       ?      46.878  2.0296 0.000000       2.029613  
1 1 1 19  14  17 o 41.913  1.3416 86.858   5.5500  97.743   7.7770  75.560   7.9228  44.431  1.7733 38.989  2.0661 5.442444       2.722803  
1 1 1 19  15  11 o 47.848  1.7589 113.330  8.3070  116.193  17.568  112.506  9.4275  48.055  3.7331 47.652  2.0044 0.4027977      4.237166  
1 1 1 19  15  12 o 120.150 2.5664 717.051  30.436  727.387  37.597  697.397  51.843  120.815 3.1528 117.729 4.4615 3.086136       5.463034  
1 1 1 19  15  13 o 70.002  1.6387 242.478  11.323  244.651  15.337  239.876  16.786  70.238  2.2122 69.512  2.4466 0.7262421      3.298487  
1 1 1 19  15  14 o 62.160  1.2306 190.978  7.5503  190.299  10.652  191.663  10.704  62.002  1.7406 62.223  1.7428 -0.2215195     2.463104  
1 1 1 19  15  15 o 47.961  1.7762 113.894  8.4087  114.155  17.735  113.819  9.5504  47.593  3.8071 47.923  2.0190 -0.3293648     4.309402  
1 1 1 19  15  16 o 26.516  1.1559 34.749   3.0251  43.317   4.3587  26.785   4.2020  29.553  1.4992 23.181  1.8520 6.372301       2.382712  
1 1 1 20  -1  7  o 86.916  6.2745 388.505  53.467  388.496  75.950  388.513  75.282  85.002  9.1992 85.073  9.1067 -0.7107544E-01 12.94437  
1 1 1 20  0   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 20  0   6  o 39.529  1.1946 77.212   4.6608  87.823   6.6646  67.054   6.5206  42.136  1.6024 36.807  1.7948 5.328735       2.406085  
1 1 1 20  0   7  o 71.897  1.5505 255.657  11.003  259.672  15.902  251.969  15.240  72.378  2.2259 71.305  2.1654 1.073235       3.105425  
1 1 1 20  0   8  o 27.307  0.7372 36.817   1.9869  37.881   2.8085  35.751   2.8114  27.692  1.0275 26.901  1.0588 0.7906189      1.475414  
1 1 1 20  0   9  o 34.706  1.4325 59.553   4.9071  58.445   6.9738  60.641   6.9062  34.285  2.0705 34.932  2.0115 -0.6475639     2.886704  
1 1 1 20  0   10 o 80.912  1.5505 323.811  12.383  325.345  17.209  322.165  17.831  81.021  2.1519 80.609  2.2411 0.4113464      3.106955  
1 1 1 20  1   4  o 47.336  6.3066 116.290  28.733  108.889  40.989  123.439  40.289  44.441  9.6232 47.730  8.8786 -3.289566      13.09332  
1 1 1 20  1   5  f 42.936  2.2403 91.623   9.4615  93.009   13.733  90.371   13.054  43.095  3.2525 42.498  3.1341 0.5969009      4.516803  
1 1 1 20  1   6  o 40.677  1.7474 81.871   7.0157  81.627   7.1619  87.677   34.897  40.614  1.7866 40.069  9.0389 0.5451202      9.213814  
1 1 1 20  1   7  o 86.313  1.7215 368.593  14.666  394.202  23.026  351.111  19.024  89.115  2.6177 84.160  2.2901 4.954597       3.478097  
1 1 1 20  1   8  o 34.804  2.4955 60.401   8.5161  56.685   12.414  63.704   11.705  33.474  3.8258 35.602  3.3709 -2.127895      5.099003  
1 1 1 20  1   9  f 25.971  3.1473 34.046   7.9030  36.860   11.533  31.555   10.851  26.745  4.5304 24.680  4.6244 2.065191       6.473773  
1 1 1 20  1   10 o 34.638  3.3168 60.308   11.201  67.111   19.613  57.015   13.645  35.964  5.7164 33.479  4.2233 2.485294       7.107300  
1 1 1 20  1   11 o 45.789  2.2247 103.928  10.054  100.533  13.986  107.559  14.464  44.822  3.1821 46.370  3.1795 -1.547607      4.498273  
1 1 1 20  2   4  o 43.740  1.0021 94.500   4.3263  96.144   5.3378  91.351   7.3862  44.109  1.2260 42.967  1.7416 1.142075       2.129880  
1 1 1 20  2   5  o 60.372  1.5729 180.249  9.3726  189.503  16.561  175.888  11.368  61.775  2.7161 59.605  1.9323 2.169678       3.333329  
1 1 1 20  2   6  o 113.705 1.8154 639.802  20.374  658.644  28.561  620.279  29.072  115.225 2.5113 111.790 2.6348 3.435257       3.639872  
1 1 1 20  2   7  o 98.048  2.4410 476.750  23.623  487.490  24.826  373.851  76.843  99.127  2.5373 83.608  9.4790 15.51876       9.812761  
1 1 1 20  2   8  o 19.341  1.0291 18.530   1.9576  19.386   2.8798  17.794   2.6691  19.746  1.4885 18.918  1.4402 0.8277855      2.071234  
1 1 1 20  2   9  o 36.369  1.1408 65.348   4.0953  65.938   5.7758  64.752   5.8074  36.514  1.6026 36.183  1.6261 0.3309860      2.283088  
1 1 1 20  2   10 o 49.374  1.4858 120.530  7.2407  108.433  10.257  132.547  10.223  46.778  2.2214 51.738  2.0019 -4.960434      2.990378  
1 1 1 20  2   11 o 59.586  1.4117 175.520  8.3029  181.497  12.739  171.107  10.948  60.527  2.1323 58.793  1.8865 1.733456       2.847062  
1 1 1 20  2   12 o 53.980  2.1962 144.411  11.702  131.515  16.091  158.886  17.047  51.297  3.1939 56.426  3.0724 -5.128864      4.431803  
1 1 1 20  2   13 o 42.147  6.7213 93.241   27.022  88.121   38.566  98.178   37.873  39.788  9.8682 42.240  9.3327 -2.451488      13.58237  
1 1 1 20  3   4  o 67.883  2.0171 228.202  13.515  265.258  24.154  211.314  16.306  72.965  3.3539 65.258  2.5316 7.707237       4.202056  
1 1 1 20  3   5  o 66.795  1.4954 220.592  9.8593  214.829  13.755  226.682  14.140  65.856  2.1160 67.648  2.1176 -1.792206      2.993627  
1 1 1 20  3   6  o 19.803  4.4661 20.424   8.5215  25.384   12.675  16.334   11.511  21.988  5.7684 18.076  5.7410 3.911634       8.138404  
1 1 1 20  3   7  o 33.992  0.9662 57.068   3.2418  52.854   4.0220  64.882   5.4771  32.705  1.2459 36.225  1.5318 -3.519489      1.974524  
1 1 1 20  3   8  o 38.193  0.9222 72.037   3.4766  63.774   5.6462  77.084   4.4121  35.911  1.5929 39.501  1.1316 -3.589626      1.953962  
1 1 1 20  3   9  o 33.448  1.3720 55.297   4.5297  55.754   4.8405  52.073   12.847  33.583  1.4603 32.005  4.1655 1.577702       4.414033  
1 1 1 20  3   10 f 119.372 1.9647 705.426  23.149  682.290  32.378  729.617  33.108  117.212 2.7987 121.217 2.7672 -4.005493      3.935697  
1 1 1 20  3   11 o 96.098  2.1155 457.420  20.066  439.188  28.397  475.603  28.359  93.976  3.0614 97.824  2.9370 -3.848061      4.242461  
1 1 1 20  3   12 o 70.869  1.3990 248.271  9.7859  256.116  13.657  239.992  14.030  71.927  1.9236 69.613  2.0418 2.314590       2.805261  
1 1 1 20  3   13 o 45.225  0.9706 101.022  4.3328  102.823  5.4237  97.845   7.2031  45.616  1.2046 44.474  1.6409 1.141983       2.035575  
1 1 1 20  4   4  o 13.845  4.7355 8.8859   7.7821  10.615   11.178  7.2597   10.841  15.685  5.6506 14.326  5.4849 1.358874       7.874838  
1 1 1 20  4   5  o 74.258  1.6071 272.708  11.779  271.848  20.395  273.138  14.429  73.984  2.7930 74.277  1.9681 -0.2934113     3.416744  
1 1 1 20  4   6  o 65.388  1.4800 211.377  9.5522  200.773  13.828  221.056  13.211  63.660  2.2006 66.820  2.0031 -3.160198      2.975757  
1 1 1 20  4   7  o 82.884  1.6773 339.785  13.722  336.932  22.042  341.591  17.534  82.390  2.7105 83.047  2.1391 -0.6573868     3.452937  
1 1 1 20  4   8  o 85.324  2.2779 360.747  19.184  331.360  32.241  376.853  23.869  81.432  4.0113 87.123  2.7757 -5.691811      4.878033  
1 1 1 20  4   9  o 45.733  1.2860 103.351  5.8048  96.759   8.0465  110.505  8.3823  44.220  1.8436 47.260  1.7970 -3.039970      2.574438  
1 1 1 20  4   10 o 30.573  1.1380 46.177   3.4343  49.379   4.8554  42.971   4.8582  31.601  1.5566 29.427  1.6795 2.174097       2.289972  
1 1 1 20  4   11 o 81.830  1.3764 330.970  11.118  331.089  16.283  330.866  15.216  81.774  2.0174 81.763  1.8854 0.1074219E-01  2.761294  
1 1 1 20  4   12 o 96.828  1.8131 463.944  17.328  449.807  34.559  468.692  20.027  94.943  3.6878 97.280  2.0858 -2.336884      4.236815  
1 1 1 20  4   13 o 75.187  1.6930 279.665  12.564  285.453  16.317  271.237  19.691  75.901  2.1781 73.908  2.6993 1.993034       3.468427  
1 1 1 20  4   14 o 10.893  4.3486 3.0552   7.0524  0.5472   11.461  4.5834   8.9467  12.519  5.3186 12.501  4.9270 0.1765060E-01  7.249991  
1 1 1 20  5   5  o 4.9342  1.7685 1.0138   1.0936  2.2340   1.3125  -1.7578  1.9780  6.6433  1.9037 4.2445  1.9701 2.398817       2.739609  
1 1 1 20  5   6  o 81.091  1.6803 325.253  13.449  328.161  18.388  321.906  19.723  81.375  2.2893 80.567  2.4802 0.8081589      3.375216  
1 1 1 20  5   7  o 63.019  2.0053 196.607  12.473  196.138  17.169  197.132  18.152  62.855  2.7673 62.993  2.9194 -0.1380730     4.022606  
1 1 1 20  5   8  o 30.837  1.0820 46.972   3.2933  45.613   4.6505  48.340   4.6645  30.333  1.5586 31.269  1.5113 -0.9364147     2.170977  
1 1 1 20  5   9  o 35.202  4.1204 62.766   14.046  0.0000   0.0000  62.766   14.046  ?       ?      35.202  4.1204 0.000000       4.120411  
1 1 1 20  5   10 o 81.120  2.0140 325.779  16.125  358.508  23.691  297.528  22.011  84.968  2.8249 77.395  2.8813 7.572426       4.035108  
1 1 1 20  5   11 f 68.508  1.5822 232.080  10.699  242.417  14.876  221.003  15.398  69.958  2.1544 66.775  2.3363 3.182686       3.177969  
1 1 1 20  5   12 o 86.289  1.7042 368.319  14.515  348.362  18.552  399.811  23.305  83.847  2.2417 89.757  2.6305 -5.910355      3.456126  
1 1 1 20  5   13 o 65.540  1.3219 212.296  8.5514  232.666  11.549  187.575  12.723  68.579  1.7062 61.539  2.0946 7.040398       2.701541  
1 1 1 20  5   14 o 127.759 1.9576 808.200  24.686  782.769  33.693  837.669  36.270  125.541 2.7191 129.835 2.8303 -4.293579      3.924767  
1 1 1 20  5   15 o 35.933  6.8933 68.432   23.559  75.037   34.134  62.422   32.558  36.869  9.3624 33.686  9.4228 3.183136       13.28322  
1 1 1 20  6   5  o 135.964 2.5353 917.160  34.024  987.693  42.745  795.213  56.206  140.921 3.0731 125.882 4.5236 15.03994       5.468743  
1 1 1 20  6   6  o 113.189 2.0825 634.468  23.266  643.690  32.658  624.964  33.153  113.823 2.9069 112.131 2.9955 1.691101       4.174096  
1 1 1 20  6   7  o 17.364  1.0382 14.945   1.7712  11.299   2.6078  18.067   2.4132  15.006  1.7964 19.078  1.2891 -4.072257      2.211092  
1 1 1 20  6   8  f 24.515  1.5793 29.839   3.8012  29.942   3.9673  28.692   13.277  24.550  1.6467 23.360  5.7878 1.190491       6.017468  
1 1 1 20  6   9  o 154.553 2.5398 1184.73  38.744  1212.93  55.724  1158.34  53.907  155.984 3.6193 152.448 3.5825 3.535141       5.092561  
1 1 1 20  6   10 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 20  6   11 o 37.178  1.6858 68.367   6.1864  67.594   6.6004  73.957   17.748  36.961  1.8092 38.077  4.8310 -1.115986      5.158657  
1 1 1 20  6   12 o 95.170  1.8199 448.174  17.095  458.102  24.971  439.418  23.453  96.079  2.6332 94.120  2.5246 1.958794       3.647870  
1 1 1 20  6   13 o 80.045  1.6445 316.905  12.993  302.466  18.670  330.465  18.093  78.099  2.4219 81.661  2.2447 -3.562325      3.302220  
1 1 1 20  6   14 o 58.426  2.4066 169.295  13.879  181.262  17.726  150.341  22.309  60.377  2.9745 54.639  4.1681 5.737919       5.120614  
1 1 1 20  6   15 o 28.260  3.3844 40.365   9.2525  45.029   13.289  35.977   12.890  29.571  4.7111 26.261  5.1569 3.309664       6.984817  
1 1 1 20  7   5  x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 20  7   6  o 121.010 2.1539 725.402  25.726  724.548  36.448  726.250  36.317  120.708 3.0592 120.854 3.0445 -0.1460342     4.315939  
1 1 1 20  7   7  o 55.540  1.2641 152.427  6.9296  147.629  8.7570  160.463  11.334  54.636  1.6238 56.929  2.0170 -2.293110      2.589426  
1 1 1 20  7   8  o 102.531 1.8844 520.256  19.071  512.067  27.512  527.829  26.459  101.563 2.7445 103.146 2.5989 -1.582497      3.779708  
1 1 1 20  7   9  o 53.973  1.3732 143.979  7.3154  165.400  10.230  121.560  10.465  57.819  1.7925 49.542  2.1402 8.277748       2.791664  
1 1 1 20  7   10 o 40.680  2.7661 82.530   11.041  76.298   16.317  87.791   14.994  38.805  4.3342 41.802  3.6712 -2.996536      5.680062  
1 1 1 20  7   11 o 54.964  3.2900 150.890  17.767  150.890  17.767  0.0000   0.0000  54.964  3.2900 ?       ?      0.000000       3.290037  
1 1 1 20  7   12 o 137.950 2.7131 944.719  36.942  951.620  44.878  930.213  65.063  138.263 3.2884 136.015 4.8463 2.247406       5.856677  
1 1 1 20  7   13 o 53.461  1.4199 141.284  7.4923  145.826  10.445  136.470  10.753  54.274  1.9498 52.493  2.0754 1.780872       2.847625  
1 1 1 20  7   14 o 66.283  1.5685 217.276  10.262  206.926  14.192  228.618  14.856  64.617  2.2251 67.920  2.2160 -3.303627      3.140394  
1 1 1 20  7   15 o 53.154  1.2570 139.630  6.5950  131.705  11.395  143.622  8.0871  51.545  2.2397 53.891  1.5204 -2.345730      2.706987  
1 1 1 20  8   6  o 88.279  2.8065 387.148  24.454  387.148  24.454  0.0000   0.0000  88.279  2.8065 ?       ?      0.000000       2.806482  
1 1 1 20  8   7  o 44.704  1.6376 98.842   7.2256  99.554   8.1897  96.340   15.350  44.851  1.8500 43.813  3.5808 1.038231       4.030444  
1 1 1 20  8   8  o 58.245  1.2615 167.641  7.2524  150.724  11.540  178.684  9.3238  55.165  2.1194 60.112  1.5714 -4.947613      2.638419  
1 1 1 20  8   9  o 42.207  2.6893 88.774   11.145  94.963   16.381  83.440   15.207  43.444  3.8603 40.708  3.8298 2.735905       5.437778  
1 1 1 20  8   10 o 53.920  1.6715 143.801  8.8958  141.920  10.435  148.805  17.019  53.543  1.9745 54.603  3.1715 -1.060493      3.735888  
1 1 1 20  8   11 o 102.942 1.9612 524.594  19.928  508.184  27.691  542.221  28.700  101.164 2.7732 104.495 2.7826 -3.330788      3.928530  
1 1 1 20  8   12 o 59.354  3.1231 175.714  18.232  175.714  18.232  0.0000   0.0000  59.354  3.1231 ?       ?      0.000000       3.123055  
1 1 1 20  8   13 o 32.427  3.9066 53.278   12.252  72.491   22.058  44.705   14.734  37.281  6.2129 29.340  5.2819 7.940762       8.154694  
1 1 1 20  8   14 o 26.796  4.2353 36.815   10.829  46.281   15.385  27.519   15.246  29.818  5.4273 22.885  6.4644 6.932491       8.440635  
1 1 1 20  8   15 o 21.879  5.2446 25.143   11.179  31.421   15.358  18.068   16.302  24.352  6.3306 19.641  6.8471 4.711506       9.325195  
1 1 1 20  8   16 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
1 1 1 20  9   7  o 69.718  2.2245 240.890  15.308  240.890  15.308  0.0000   0.0000  69.718  2.2245 ?       ?      0.000000       2.224484  
1 1 1 20  9   8  o 77.603  1.6682 297.897  12.778  282.944  17.635  314.424  18.540  75.543  2.3651 79.636  2.3586 -4.092659      3.340174  
1 1 1 20  9   9  o 115.546 2.1288 661.339  24.279  652.248  34.182  670.596  34.490  114.534 3.0236 116.138 3.0088 -1.603989      4.265550  
1 1 1 20  9   10 o 61.758  1.4905 188.572  9.0855  191.691  12.635  185.233  13.074  62.216  2.0575 61.147  2.1662 1.068485       2.987585  
1 1 1 20  9   11 o 65.403  2.1128 211.881  13.640  197.926  18.907  227.024  19.695  63.090  3.0362 67.583  2.9525 -4.492420      4.235086  
1 1 1 20  9   12 o 101.148 1.9186 506.455  19.154  512.996  27.476  500.269  26.717  101.638 2.7388 100.379 2.6966 1.259178       3.843481  
1 1 1 20  9   13 o 182.040 3.1173 1648.92  56.012  1652.07  79.212  1645.78  79.213  181.464 4.4225 181.112 4.4311 0.3514709      6.260464  
1 1 1 20  9   14 o 73.764  1.5810 269.118  11.511  295.381  19.955  256.021  14.091  77.133  2.6210 71.902  1.9856 5.231377       3.288178  
1 1 1 20  9   15 o 45.816  0.9857 103.686  4.4577  98.770   6.2904  108.646  6.3179  44.695  1.4259 46.880  1.3654 -2.185040      1.974181  
1 1 1 20  10  8  o 65.643  1.8786 213.311  12.172  202.644  18.532  221.403  16.142  63.839  2.9411 66.805  2.4480 -2.966309      3.826535  
1 1 1 20  10  9  o 110.367 2.0229 603.255  22.037  580.240  30.510  628.358  31.863  108.053 2.8607 112.441 2.8710 -4.388252      4.052882  
1 1 1 20  10  10 o 117.202 2.5381 681.625  29.362  619.967  49.897  714.285  36.315  111.109 4.5498 119.826 3.0704 -8.717682      5.488893  
1 1 1 20  10  11 o 11.591  1.4663 6.7482   1.6401  6.2546   2.1260  7.4739   2.5775  11.067  2.0207 12.089  2.2426 -1.022038      3.018700  
1 1 1 20  10  12 f 60.657  1.1888 181.801  7.1173  176.021  10.056  187.602  10.075  59.647  1.7081 61.582  1.6575 -1.935349      2.380084  
1 1 1 20  10  13 o 66.129  1.5696 216.282  10.245  204.799  14.064  229.262  14.953  64.281  2.2167 68.010  2.2275 -3.729416      3.142533  
1 1 1 20  10  14 o 129.936 2.3057 837.214  29.571  802.594  41.166  874.123  42.506  126.910 3.2864 132.458 3.2512 -5.548126      4.622790  
1 1 1 20  10  15 o 41.522  3.7211 86.847   15.088  103.059  28.507  80.537   17.784  44.334  6.7255 39.751  4.6186 4.582611       8.158636  
1 1 1 20  11  10 o 33.394  3.4144 56.171   11.096  56.186   15.633  56.155   15.752  33.042  4.9455 33.021  4.9884 0.2014923E-01  7.024389  
1 1 1 20  11  11 o 88.749  1.5821 389.586  13.859  401.360  19.596  377.806  19.602  89.985  2.2063 87.293  2.2750 2.692261       3.169145  
1 1 1 20  11  12 o 51.259  2.5304 130.419  12.802  137.990  17.722  122.156  18.515  52.490  3.4397 49.283  3.8364 3.207024       5.152622  
1 1 1 20  11  13 o 22.618  5.0420 26.810   10.969  23.481   14.937  30.706   16.160  21.314  6.5052 24.075  6.6025 -2.760506      9.268805  
1 1 1 20  11  14 o 33.811  5.2407 59.121   16.924  0.0000   0.0000  59.121   16.924  ?       ?      33.811  5.2407 0.000000       5.240728  
1 1 1 20  11  15 x ?       ?      ?        ?       ?        ?       ?        ?       ?       ?      ?       ?      ?              ?         
# 
#END OF REFLECTIONS
