data_r4uw6sf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4uw6 
_cell.length_a      58.9301 
_cell.length_b      53.3800 
_cell.length_c      89.2199 
_cell.angle_alpha   90.0000 
_cell.angle_beta    102.8864 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.790 
_diffrn_reflns.pdbx_d_res_low    53.764 
_diffrn_reflns.limit_h_max       32 
_diffrn_reflns.limit_h_min       -32 
_diffrn_reflns.limit_k_max       29 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       49 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            25613 
_diffrn_reflns.pdbx_number_obs   24395 
# 
_entry.id   4uw6 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4uw6 
_symmetry.space_group_name_H-M   'I 1 2 1' 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'               
2 '-X,  Y,  -Z'             
3 'X+1/2,  Y+1/2,  Z+1/2'   
4 '-X+1/2,  Y+1/2,  -Z+1/2' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -32    0    2 o  154.817   13.149  458.161   97.870  458.161   97.870  458.161   97.870  154.817   18.596  154.817   18.596 -0.000000 0.000000 
1 1 1  -32    0    4 o  115.530   15.013  268.348   78.056  268.348   78.056  268.348   78.056  115.530   21.231  115.530   21.231 -0.000000 0.000000 
1 1 1  -32    0    6 o   23.371   11.241 -20.5173   40.026 -20.5173   40.026 -20.5173   40.026   23.371   15.898   23.371   15.898 -0.000000 0.000000 
1 1 1  -32    0    8 o  313.279   12.283  1805.21  190.991  1805.21  190.991  1805.21  190.991  313.279   17.371  313.279   17.371 -0.000000 0.000000 
1 1 1  -32    0   10 o  186.443   12.150  648.056  111.022  648.056  111.022  648.056  111.022  186.443   17.183  186.443   17.183 -0.000000 0.000000 
1 1 1  -32    0   12 o   89.991   17.499  178.795   68.066  178.795   68.066  178.795   68.066   89.991   24.748   89.991   24.748 -0.000000 0.000000 
1 1 1  -32    0   14 o   51.749   17.453   73.475   51.684   73.475   51.684   73.475   51.684   51.749   24.682   51.749   24.682 -0.000000 0.000000 
1 1 1  -32    0   16 o   87.940   17.196  171.143   65.376  171.143   65.376  171.143   65.376   87.940   24.319   87.940   24.319 -0.000000 0.000000 
1 1 1  -32    0   18 o   14.913   7.6279 -57.0976   29.901 -57.0976   29.901 -57.0976   29.901   14.913   10.787   14.913   10.787 -0.000000 0.000000 
1 1 1  -32    0   20 o  163.234   12.585  504.842   99.588  504.842   99.588  504.842   99.588  163.234   17.799  163.234   17.799 -0.000000 0.000000 
1 1 1  -32    0   22 o  138.555   13.630  373.453   89.174  373.453   89.174  373.453   89.174  138.555   19.276  138.555   19.276 -0.000000 0.000000 
1 1 1  -32    1    1 o   44.633   12.786   1.1154   34.419 -41.6641   45.960   55.742   51.936   33.003   15.498   56.264   20.341 -23.26059 25.57254 
1 1 1  -32    1    3 o  179.878   12.718  616.040   80.822  607.513  115.479  624.228  113.155  178.423   18.312  181.333   17.655 -2.910675 25.43685 
1 1 1  -32    1    5 o  226.554   12.280  970.277   98.024  887.965  138.647  1052.54  138.606  216.275   18.138  236.833   16.558 -20.55753 24.55933 
1 1 1  -32    1    7 o  286.546   12.098  1543.67  122.390  1628.56  173.512  1459.61  172.662  294.843   16.650  278.250   17.557 16.59253 24.19638 
1 1 1  -32    1    9 o   53.223   14.075   42.596   36.200   61.139   52.322   25.569   50.137   58.435   20.492   48.012   19.302 10.42324 28.15091 
1 1 1  -32    1   11 o  219.551   12.097  907.076   93.039  1047.56  132.455  770.261  130.716  237.330   15.791  201.771   18.330 35.55911 24.19320 
1 1 1  -32    1   13 o  142.031   12.486  380.019   62.510  416.314   89.453  345.380   87.388  148.987   16.987  135.076   18.304 13.91158 24.97235 
1 1 1  -32    1   15 o   48.192   12.935   28.811   31.909   56.828   45.755   2.2838   44.523   55.980   19.189   40.404   17.350 15.57533 25.86929 
1 1 1  -32    1   17 o  102.533   13.576  204.470   48.117  219.498   67.774  189.197   68.325  107.625   17.817   97.441   20.489 10.18444 27.15214 
1 1 1  -32    1   19 o  110.173   14.532  241.721   54.912  205.957   79.158  274.895   76.238  100.206   22.856  120.140   17.954 -19.93352 29.06469 
1 1 1  -32    1   21 o   71.641   15.099  103.965   41.087  102.794   57.112  105.223   59.154   71.276   21.147   72.006   21.557 -0.7296677 30.19771 
1 1 1  -32    2    2 o  104.175   15.155  220.793   53.774  202.936   79.085  236.149   73.336   99.178   23.007  109.173   19.732 -9.994606 30.30932 
1 1 1  -32    2    4 o   53.193   14.451   41.826   38.659   26.279   57.531   54.627   52.202   50.182   20.492   56.205   20.382 -6.022869 28.90287 
1 1 1  -32    2    6 o  155.657   13.719  472.934   73.361  364.096  105.765  573.846  101.842  136.359   21.945  174.954   16.469 -38.59525 27.43778 
1 1 1  -32    2    8 o  334.765   12.782  2121.24  151.218  2151.62  213.730  2090.78  213.980  337.350   17.925  332.180   18.225 5.170532 25.56328 
1 1 1  -32    2   10 o  187.302   12.340  660.774   81.634  679.176  114.590  641.810  116.325  190.216   17.044  184.389   17.849 5.827454 24.68005 
1 1 1  -32    2   12 o  103.858   14.368  212.850   50.828  215.843   73.203  210.064   70.630  104.457   20.560  103.259   20.076 1.197754 28.73557 
1 1 1  -32    2   14 o  171.898   12.214  555.909   74.164  583.402  106.118  529.659  103.691  176.192   17.041  167.605   17.504 8.586777 24.42884 
1 1 1  -32    2   16 o  100.437   14.461  200.739   49.586  213.521   69.964  187.837   70.289  104.091   19.739   96.783   21.140 7.307610 28.92268 
1 1 1  -32    2   18 o  118.524   12.917  270.984   52.601  303.914   74.873  238.891   73.914  127.008   16.679  110.040   19.729 16.96879 25.83484 
1 1 1  -32    2   20 o   56.662   13.619   58.414   33.637   36.326   48.420   79.016   46.763   49.973   19.309   63.352   19.213 -13.37885 27.23883 
1 1 1  -32    3    1 o  169.119   13.206  551.376   78.885  578.263  113.785  526.492  109.462  173.148   18.593  165.091   18.760 8.056961 26.41240 
1 1 1  -32    3    3 o   71.655   16.467  103.233   47.788  109.540   68.448   97.235   66.750   73.429   23.402   69.882   23.173 3.547379 32.93400 
1 1 1  -32    3    5 o  158.064   12.950  477.870   72.050  449.762  104.333  503.495   99.618  152.968   19.297  163.160   17.274 -10.19121 25.89979 
1 1 1  -32    3    7 o  208.440   12.406  820.258   91.332  859.897  131.807  783.646  126.673  213.326   17.481  203.553   17.607 9.772919 24.81129 
1 1 1  -32    3    9 f  103.970   15.454  218.000   54.932  202.518   79.587  232.086   75.914   99.682   23.049  108.257   20.593 -8.574348 30.90855 
1 1 1  -32    3   11 o  104.296   15.057  214.437   54.585  263.964   79.142  169.502   75.384  117.620   19.037   90.971   23.333 26.64838 30.11374 
1 1 1  -32    3   13 o  169.624   14.677  551.497   84.007  538.171  104.142  576.321  142.140  168.894   17.446  170.355   23.607 -1.460327 29.35384 
1 1 1  -32    3   15 o   51.049   13.403   33.202   33.858   3.7510   45.181   70.927   51.135   40.939   17.526   61.159   20.282 -20.22034 26.80522 
1 1 1  -32    3   17 o  135.841   12.599  350.487   60.391  377.243   86.471  325.010   84.380  141.156   17.332  130.527   18.290 10.62914 25.19785 
1 1 1  -32    3   19 o  136.145   12.490  357.003   59.062  290.309   84.401  421.002   82.679  122.459   19.500  149.831   15.612 -27.37247 24.98008 
1 1 1  -32    3   21 o  219.711   14.605  952.498  107.352  959.075  133.108  940.260  181.575  224.648   16.764  214.773   23.920 9.874313 29.20934 
1 1 1  -32    4    2 o   70.914   16.850  101.711   49.894   93.563   75.556  108.012   66.440   69.158   24.588   72.671   23.046 -3.512299 33.70000 
1 1 1  -32    4    4 o  139.832   13.068  376.567   64.201  338.249   91.790  413.265   89.830  132.116   19.657  147.549   17.225 -15.43297 26.13649 
1 1 1  -32    4    6 o  100.945   14.755  213.751   52.739  106.389   76.382  311.566   72.907   72.998   24.794  128.892   16.004 -55.89352 29.51011 
1 1 1  -32    4    8 o  255.090   11.812  1224.72  106.339  1217.78  154.313  1231.01  146.744  253.941   17.193  256.238   16.203 -2.296799 23.62485 
1 1 1  -32    4   10 o  127.291   13.271  309.696   59.619  301.757   85.814  317.102   82.889  125.408   19.360  129.174   18.155 -3.765648 26.54132 
1 1 1  -32    4   12 o  285.642   12.092  1538.28  122.031  1545.46  175.219  1531.52  170.054  286.046   17.331  285.237   16.868 0.8084412 24.18446 
1 1 1  -32    4   14 o   80.463   14.920  130.780   44.328   89.344   62.512  172.689   62.868   67.638   22.425   93.289   19.685 -25.65151 29.83943 
1 1 1  -32    4   16 o  154.044   12.412  450.501   67.516  449.795   97.436  451.153   93.641  153.693   17.937  154.396   17.160 -0.7033386 24.82312 
1 1 1  -32    4   18 o  213.706   14.275  887.529  102.738  882.326  127.740  897.061  172.886  215.939   16.737  211.472   23.131 4.466675 28.55079 
1 1 1  -32    4   20 o  114.614   16.566  293.386   63.212  353.126   79.692  192.024  103.805  136.457   16.523   92.771   28.717 43.68636 33.13111 
1 1 1  -32    5    3 o  118.493   16.358  307.603   64.610  202.457  101.023  380.379   84.046   95.533   28.066  141.454   16.810 -45.92063 32.71567 
1 1 1  -32    5    5 o  154.742   12.473  458.078   67.912  415.815   96.691  499.226   95.407  147.036   18.606  162.449   16.617 -15.41370 24.94545 
1 1 1  -32    5    7 o  167.927   12.542  546.042   72.249  409.467  103.015  678.255  101.356  145.184   20.075  190.670   15.040 -45.48550 25.08418 
1 1 1  -32    5    9 o   86.415   15.922  154.419   49.807  123.348   71.764  183.295   69.183   77.493   23.859   95.337   21.090 -17.84401 31.84384 
1 1 1  -32    5   11 f  116.258   13.615  263.607   54.436  239.332   77.515  287.230   76.465  109.502   20.789  123.014   17.587 -13.51170 27.22978 
1 1 1  -32    5   13 o  157.801   13.241  476.224   73.739  513.324  106.966  442.626  101.792  163.808   18.475  151.794   18.973 12.01347 26.48232 
1 1 1  -32    5   15 o  276.312   14.417  1513.62  131.788  1576.09  163.257  1396.76  223.286  289.656   15.947  262.968   24.024 26.68750 28.83448 
1 1 1  -32    5   17 o  185.846   15.469  701.202   94.894  742.099  118.151  626.878  159.279  197.779   16.902  173.913   25.912 23.86555 30.93736 
1 1 1  -32    6    6 o   81.165   16.481  138.436   50.019  122.472   74.904  151.284   67.198   76.718   24.484   85.613   22.068 -8.895172 32.96163 
1 1 1  -32    6    8 o  118.040   16.181  288.056   64.359  256.952  101.208  309.173   83.393  109.330   26.473  126.750   18.615 -17.42014 32.36284 
1 1 1  -32    6   10 o  126.785   15.790  320.599   67.142  335.071  108.817  311.702   85.320  126.443   25.233  127.128   18.988 -0.6849518 31.57966 
1 1 1  -32    6   12 f  222.533   17.130  1001.83  132.850  810.790  182.837  1215.48  193.359  197.710   26.165  247.356   22.117 -49.64615 34.26004 
1 1 1  -32    6   14 o   87.357   18.958  166.044   64.144  177.580   82.820  148.751  101.402   91.462   24.935   83.252   28.564 8.209602 37.91663 
1 1 1  -32    6   16 o   82.111   27.658  144.714   95.045   0.0000   0.0000  144.714   95.045  ?   ?    82.111   27.658      ?      ? 
1 1 1  -32    7   11 o   31.334   14.185 -15.3272   33.748 -15.3272   33.748   0.0000   0.0000   31.334   14.185  ?   ?       ?      ? 
1 1 1  -31    0    1 o  115.614   16.023  270.725   82.434  270.725   82.434  270.725   82.434  115.614   22.660  115.614   22.660 -0.000000 0.000000 
1 1 1  -31    0    3 f   81.668   19.024  156.527   68.951  156.527   68.951  156.527   68.951   81.668   26.904   81.668   26.904 -0.000000 0.000000 
1 1 1  -31    0    5 o  125.898   14.447  309.383   83.734  309.383   83.734  309.383   83.734  125.898   20.431  125.898   20.431 -0.000000 0.000000 
1 1 1  -31    0    7 o   65.737   18.752  110.076   60.124  110.076   60.124  110.076   60.124   65.737   26.520   65.737   26.520 -0.000000 0.000000 
1 1 1  -31    0    9 o  167.261   18.534  551.616  143.596  551.616  143.596  551.616  143.596  167.261   26.211  167.261   26.211 -0.000000 0.000000 
1 1 1  -31    0   11 o  142.959   12.733  386.136   87.066  386.136   87.066  386.136   87.066  142.959   18.007  142.959   18.007 -0.000000 0.000000 
1 1 1  -31    0   13 o  237.374   12.021  1032.57  140.954  1032.57  140.954  1032.57  140.954  237.374   17.001  237.374   17.001 -0.000000 0.000000 
1 1 1  -31    0   15 o  212.165   12.038  828.549  125.769  828.549  125.769  828.549  125.769  212.165   17.024  212.165   17.024 -0.000000 0.000000 
1 1 1  -31    0   17 o  166.718   13.149  522.619  106.087  522.619  106.087  522.619  106.087  166.718   18.596  166.718   18.596 -0.000000 0.000000 
1 1 1  -31    0   19 o  298.717   12.341  1635.73  182.820  1635.73  182.820  1635.73  182.820  298.717   17.452  298.717   17.452 -0.000000 0.000000 
1 1 1  -31    0   21 o  324.525   12.485  1934.11  201.152  1934.11  201.152  1934.11  201.152  324.525   17.656  324.525   17.656 -0.000000 0.000000 
1 1 1  -31    0   23 o   55.458   17.729   83.097   52.876   83.097   52.876   83.097   52.876   55.458   25.073   55.458   25.073 -0.000000 0.000000 
1 1 1  -31    0   25 o   15.442   7.8087 -41.6859   27.580 -41.6859   27.580 -41.6859   27.580   15.442   11.043   15.442   11.043 -0.000000 0.000000 
1 1 1  -31    1    2 o   47.806   13.638   22.001   36.194   37.896   48.810   2.5841   53.948   51.184   19.484   44.427   19.088 6.757023 27.27603 
1 1 1  -31    1    4 o  171.003   12.508  546.101   74.918  463.471  105.447  630.328  106.461  157.242   18.973  184.764   16.302 -27.52211 25.01521 
1 1 1  -31    1    6 o  112.607   14.292  244.415   54.800  302.976   78.029  187.420   76.978  127.928   17.257   97.286   22.787 30.64245 28.58434 
1 1 1  -31    1    8 o   74.243   14.853  107.123   41.053  123.331   57.665   90.466   58.460   79.541   20.410   68.945   21.585 10.59657 29.70651 
1 1 1  -31    1   10 o  161.922   12.148  484.105   69.510  470.750   97.781  497.750   98.832  159.602   17.334  164.242   17.025 -4.639954 24.29645 
1 1 1  -31    1   12 o   59.681   14.854   61.364   39.147   49.878   58.180   70.866   52.917   57.103   21.375   62.258   20.632 -5.154846 29.70768 
1 1 1  -31    1   14 o  144.506   12.693  390.866   63.944  459.181   90.118  321.595   90.746  157.999   16.137  131.012   19.597 26.98766 25.38646 
1 1 1  -31    1   16 o   78.748   14.690  120.961   41.725  141.414   60.163  102.007   57.917   85.054   20.296   72.441   21.242 12.61299 29.37937 
1 1 1  -31    1   18 o  196.048   11.869  716.299   81.622  624.064  116.062  806.556  114.810  182.828   17.961  209.268   15.522 -26.43987 23.73891 
1 1 1  -31    1   20 o   85.487   14.727  145.097   44.482  172.989   63.035  117.428   62.781   94.091   19.591   76.883   21.993 17.20735 29.45379 
1 1 1  -31    1   22 o  149.601   12.073  419.824   63.730  393.284   90.040  446.469   90.217  144.580   17.620  154.621   16.508 -10.04066 24.14510 
1 1 1  -31    1   24 o   77.108   14.847  120.326   42.547  150.020   59.260   88.733   61.125   86.812   19.758   67.404   22.167 19.40840 29.69377 
1 1 1  -31    1   26 o   72.435   17.373  105.924   52.696  107.265   69.166  104.068   81.355   72.594   23.565   72.276   25.534 0.3184891 34.74635 
1 1 1  -31    2    1 o   71.309   15.116   95.823   43.587   51.235   60.455  144.089   62.899   57.448   21.728   85.171   21.022 -27.72360 30.23280 
1 1 1  -31    2    3 o  140.104   13.638  371.584   67.142  343.319   97.493  397.083   92.601  134.439   20.518  145.769   17.973 -11.32982 27.27670 
1 1 1  -31    2    5 f  203.628   12.161  769.948   87.384  741.656  125.420  796.640  121.819  199.662   17.773  207.594   16.603 -7.931915 24.32110 
1 1 1  -31    2    7 o  228.280   12.076  963.202   97.205  1052.40  139.454  878.915  135.565  238.880   16.517  217.679   17.620 21.20155 24.15124 
1 1 1  -31    2    9 o  113.830   16.895  239.956   63.885  191.109   79.033  332.040  108.514   98.204   23.148  129.455   24.616 -31.25098 33.79014 
1 1 1  -31    2   11 o   78.969   14.647  122.587   44.400  178.616   61.504   61.610   64.163   96.525   18.703   61.413   22.547 35.11285 29.29468 
1 1 1  -31    2   13 o  121.773   14.080  286.203   56.968  389.694   82.150  190.328   79.069  145.602   15.963   97.944   23.198 47.65864 28.15981 
1 1 1  -31    2   15 f   87.574   14.492  149.390   44.107  167.681   64.113  132.955   60.774   92.820   20.123   82.327   20.861 10.49239 28.98442 
1 1 1  -31    2   17 o   69.300   15.111   92.604   41.109   76.526   59.339  107.443   57.006   64.522   21.853   74.078   20.877 -9.556618 30.22268 
1 1 1  -31    2   19 o  173.783   11.716  561.006   71.941  550.163  102.249  571.636  101.238  171.991   16.820  175.575   16.314 -3.583893 23.43229 
1 1 1  -31    2   21 o  174.715   11.810  569.887   72.856  602.376  103.615  538.118  102.463  179.863   16.299  169.567   17.096 10.29597 23.62081 
1 1 1  -31    2   23 o  108.061   13.867  226.979   51.772  245.714   73.696  208.724   72.747  113.732   18.333  102.389   20.811 11.34308 27.73481 
1 1 1  -31    2   25 f  206.689   14.510  832.708  100.457  834.851  170.451  831.567  124.348  203.651   23.681  209.728   16.775 -6.077148 29.02024 
1 1 1  -31    3    2 o  180.691   20.499  727.192  106.155  551.309  201.561  794.703  124.877  155.008   37.253  206.373   17.120 -51.36473 40.99825 
1 1 1  -31    3    4 o   84.024   15.929  140.372   48.303  152.100   69.823  129.607   66.894   87.321   22.487   80.727   22.567 6.593910 31.85847 
1 1 1  -31    3    6 o   45.995   13.205   11.493   35.284 -19.2046   49.197   44.007   50.632   38.470   17.297   53.519   19.958 -15.04910 26.41086 
1 1 1  -31    3    8 o  161.789   12.719  484.922   72.568  530.583  106.328  445.108   99.287  168.971   17.804  154.607   18.170 14.36494 25.43842 
1 1 1  -31    3   10 o  122.328   14.019  284.948   59.111  271.936   85.545  296.838   81.774  118.408   21.220  126.248   18.326 -7.840927 28.03823 
1 1 1  -31    3   12 o   93.026   15.273  170.311   49.293  181.434   69.539  159.077   69.884   96.327   21.016   89.725   22.166 6.602074 30.54523 
1 1 1  -31    3   14 o  145.736   12.625  395.204   64.988  411.960   92.101  378.590   91.713  148.959   17.494  142.513   18.208 6.446091 25.24962 
1 1 1  -31    3   16 o  173.696   12.006  560.465   73.467  613.655  104.314  508.116  103.487  182.257   16.193  165.135   17.731 17.12260 24.01263 
1 1 1  -31    3   18 o   93.240   14.360  171.006   46.131  201.841   65.777  141.158   64.715  102.219   18.902   84.261   21.622 17.95844 28.71988 
1 1 1  -31    3   20 o   86.220   14.568  149.079   44.599  107.739   63.706  188.814   62.457   73.740   22.438   98.699   18.586 -24.95949 29.13606 
1 1 1  -31    3   22 o  183.326   12.052  631.928   77.740  706.545  111.076  560.284  108.840  194.496   16.158  172.157   17.887 22.33881 24.10477 
1 1 1  -31    3   24 o   87.500   14.721  155.142   44.970  139.309   64.788  169.863   62.469   82.639   21.849   92.361   19.735 -9.722298 29.44213 
1 1 1  -31    3   26 o   63.360   16.269   72.347   46.344   60.941   59.838   89.443   73.260   58.856   21.746   67.864   24.203 -9.008625 32.53753 
1 1 1  -31    4    1 o  108.646   19.933  274.784   75.075  163.551  160.519  305.927   84.937   90.334   35.086  126.958   18.928 -36.62427 39.86614 
1 1 1  -31    4    3 o   93.063   15.417  172.744   49.853  182.869   70.659  162.708   70.348   95.998   21.374   90.129   22.224 5.869225 30.83421 
1 1 1  -31    4    5 o  188.757   12.219  663.400   81.404  667.019  118.338  660.149  112.158  188.999   17.715  188.515   16.833 0.4846954 24.43715 
1 1 1  -31    4    7 o  197.202   11.850  725.257   81.963  645.653  118.149  799.109  113.799  186.017   17.970  208.387   15.451 -22.37082 23.69928 
1 1 1  -31    4    9 o  114.453   13.957  249.871   54.842  289.266   78.990  213.208   76.201  124.603   17.936  104.303   21.388 20.30000 27.91332 
1 1 1  -31    4   11 f  110.457   14.183  236.123   53.556  196.844   77.087  272.770   74.460   99.713   22.418  121.202   17.382 -21.48830 28.36684 
1 1 1  -31    4   13 o   72.149   15.350  100.617   42.895  122.000   60.982   79.676   60.348   78.703   21.371   65.594   22.039 13.10934 30.69955 
1 1 1  -31    4   15 o  322.988   12.296  1942.67  140.305  1906.53  200.150  1977.60  196.735  319.727   17.712  326.249   17.061 -6.521729 24.59242 
1 1 1  -31    4   17 o  343.976   11.712  2197.42  142.367  2211.65  203.491  2183.77  199.249  344.938   16.691  343.014   16.435 1.923920 23.42422 
1 1 1  -31    4   19 o   95.604   14.601  181.753   47.917  160.704   69.059  201.296   66.541   89.514   21.987  101.694   19.217 -12.17986 29.20141 
1 1 1  -31    4   21 o  211.532   11.937  839.426   89.211  841.752  128.074  837.234  124.335  211.641   17.122  211.423   16.639 0.2180939 23.87453 
1 1 1  -31    4   23 o  157.339   12.000  467.155   66.688  474.423   96.354  460.471   92.393  158.368   17.214  156.311   16.724 2.057114 24.00011 
1 1 1  -31    4   25 o   45.087   12.801   2.9208   29.916 -20.2535   35.214   63.027   56.712   31.155   14.253   59.019   21.269 -27.86399 25.60279 
1 1 1  -31    5    2 o   59.998   14.886   62.126   39.438   43.414   53.181   84.993   58.789   53.538   20.347   66.457   21.733 -12.91966 29.77161 
1 1 1  -31    5    4 o   25.678   8.4182 -22.3435   18.540  -1.2375   20.531 -115.5667   43.149   27.231   11.738   24.125   12.070 3.105864 16.83635 
1 1 1  -31    5    6 o   45.034   12.964   16.349   33.428   34.881   43.892  -9.2479   51.583   48.899   18.509   41.168   18.157 7.730343 25.92783 
1 1 1  -31    5    8 o   56.891   13.867   54.666   35.274   80.875   49.505   27.638   50.273   64.923   19.785   48.858   19.434 16.06565 27.73357 
1 1 1  -31    5   10 o  161.034   12.223  487.292   68.767  421.908   99.633  546.777   95.032  149.867   18.809  172.202   15.614 -22.33504 24.44562 
1 1 1  -31    5   12 o   56.882   13.593   50.307   35.929   6.0489   50.721   94.883   50.903   43.950   18.685   69.815   19.746 -25.86565 27.18537 
1 1 1  -31    5   14 o   68.618   14.533   91.144   38.678  111.438   54.132   69.977   55.284   75.336   19.997   61.899   21.093 13.43744 29.06509 
1 1 1  -31    5   16 o   45.958   13.060   22.137   32.510   26.985   45.637   17.142   46.324   47.127   18.589   44.790   18.351 2.336864 26.12068 
1 1 1  -31    5   18 o  198.713   11.946  735.855   83.729  803.432  121.935  675.563  115.175  207.489   16.627  189.937   17.157 17.55202 23.89146 
1 1 1  -31    5   20 o  245.311   12.144  1130.61  105.234  1174.72  151.806  1089.81  146.010  249.900   17.187  240.722   17.161 9.178375 24.28788 
1 1 1  -31    5   22 o  122.106   13.333  285.870   57.336  283.776   84.392  287.665   78.139  121.260   19.691  122.952   17.981 -1.692352 26.66538 
1 1 1  -31    5   24 o   59.768   15.732   61.719   43.978   58.464   57.595   66.271   68.107   57.916   21.347   61.620   23.114 -3.703949 31.46373 
1 1 1  -31    6    1 o  133.702   22.489  397.875   88.332  392.595  205.806  399.068   97.798  123.134   40.683  144.270   19.179 -21.13606 44.97701 
1 1 1  -31    6    3 f   84.531   18.178  164.926   64.822   4.5781  141.450  207.552   72.931   66.868   29.750  102.194   20.896 -35.32587 36.35506 
1 1 1  -31    6    5 o   95.679   15.236  183.257   50.330  168.071   71.955  197.803   70.425   91.289   22.456  100.069   20.598 -8.780365 30.47202 
1 1 1  -31    6    7 o   17.811   6.5604 -44.1384   11.477 -41.1206   12.194 -67.5620   33.972   11.882   6.0049   23.740   11.666 -11.85871 13.12084 
1 1 1  -31    6    9 o  159.270   12.451  473.981   69.970  513.461  101.168  437.778   96.878  165.788   17.265  152.752   17.944 13.03558 24.90119 
1 1 1  -31    6   11 o  191.722   11.995  684.998   81.247  693.018  116.903  677.506  112.998  192.688   17.165  190.756   16.760 1.931793 23.99046 
1 1 1  -31    6   13 o  132.010   16.496  348.064   70.198  355.933   86.239  332.612  120.847  137.802   17.706  126.217   27.837 11.58421 32.99116 
1 1 1  -31    6   15 o  125.706   12.943  298.263   57.351  292.291   83.638  303.563   78.793  124.188   19.055  127.224   17.523 -3.036842 25.88677 
1 1 1  -31    6   17 o   54.901   13.691   50.648   34.015   29.617   48.109   71.671   48.100   48.454   19.094   61.349   19.625 -12.89477 27.38112 
1 1 1  -31    6   19 o  130.009   13.246  322.913   60.518  312.450   89.411  331.758   82.212  127.483   19.844  132.534   17.550 -5.050827 26.49110 
1 1 1  -31    6   21 o  137.717   13.428  361.442   64.908  424.602   95.971  308.195   88.118  149.168   18.203  126.265   19.745 22.90331 26.85563 
1 1 1  -31    6   23 o  176.556   17.089  593.087  106.640   0.0000   0.0000  593.087  106.640  ?   ?   176.556   17.089      ?      ? 
1 1 1  -31    7    2 o   66.933   19.846   23.431   52.421  165.429  157.017   5.6183   55.612   88.716   34.633   45.150   19.389 43.56617 39.69154 
1 1 1  -31    7    4 o   67.418   15.267   88.700   41.207   97.148   59.307   80.815   57.295   69.990   21.713   64.846   21.467 5.144463 30.53333 
1 1 1  -31    7    6 o   83.958   15.723  142.107   47.428  156.268   68.943  129.384   65.347   87.888   22.190   80.028   22.281 7.860184 31.44629 
1 1 1  -31    7    8 o   91.131   14.274  169.921   47.178   90.056   69.019  239.964   64.635   68.764   23.567  113.497   16.113 -44.73387 28.54860 
1 1 1  -31    7   10 o  101.616   14.683  204.320   50.919  203.543   73.501  205.037   70.608  101.196   21.228  102.036   20.293 -0.8406525 29.36669 
1 1 1  -31    7   12 o  113.743   13.811  252.760   53.414  208.270   76.822  294.397   74.318  102.008   21.957  125.479   16.757 -23.47112 27.62128 
1 1 1  -31    7   14 o  266.491   11.716  1329.82  110.146  1277.44  158.286  1378.99  153.371  260.857   17.168  272.124   15.946 -11.26697 23.43119 
1 1 1  -31    7   16 o   38.792   10.093  -5.5025   24.932   53.783   33.350 -80.6104   37.537   53.313   16.238   24.271   11.991 29.04121 20.18515 
1 1 1  -31    7   18 o  138.186   12.403  362.730   60.300  342.836   87.787  380.500   82.971  134.054   18.528  142.317   16.495 -8.263290 24.80665 
1 1 1  -31    7   20 o   79.987   18.430  138.790   57.394   76.801  128.470  154.248   64.152   72.763   30.257   87.212   21.052 -14.44895 36.86002 
1 1 1  -31    7   22 o  128.662   22.414  387.672  100.789  351.493  158.894  412.029  130.373  119.508   35.224  137.816   27.726 -18.30749 44.82710 
1 1 1  -31    8    1 o   42.297   13.541 -11.1821   36.622  -8.6908   41.393 -20.1572   78.566   36.453   16.161   48.141   21.732 -11.68733 27.08288 
1 1 1  -31    8    3 o  123.187   14.902  309.537   61.337  239.645   90.988  367.755   83.043  106.977   24.581  139.395   16.855 -32.41801 29.80438 
1 1 1  -31    8    5 o   86.429   15.207  152.420   46.347  138.803   67.912  164.292   63.410   82.279   22.641   90.578   20.308 -8.299355 30.41433 
1 1 1  -31    8    7 o  115.370   14.086  256.775   55.609  316.234   82.969  208.280   74.930  128.958   18.203  101.783   21.502 27.17477 28.17296 
1 1 1  -31    8    9 o  139.316   13.159  367.654   64.573  394.757   96.346  345.551   87.007  143.759   18.962  134.873   18.252 8.886749 26.31889 
1 1 1  -31    8   11 o  159.471   12.995  482.346   73.019  497.079  108.134  469.999   98.998  161.341   18.963  157.601   17.772 3.740555 25.98916 
1 1 1  -31    8   13 o   74.290   18.166  116.742   57.689 -42.7568  155.320  142.266   62.134   64.497   29.664   84.083   20.977 -19.58546 36.33101 
1 1 1  -31    8   15 o   85.041   20.390  140.906   59.676  156.403  156.382  138.265   64.561   87.604   34.456   82.478   21.812 5.126663 40.78003 
1 1 1  -31    8   17 o   88.811   21.077  141.057   77.774  280.892  135.775   72.768   94.883  110.170   32.587   67.452   26.741 42.71754 42.15379 
1 1 1  -31    8   19 o  186.899   21.496  761.347  135.669  794.248  214.656  739.464  175.069  185.330   34.024  188.468   26.281 -3.138199 42.99234 
1 1 1  -31    9    4 o   73.456   16.130  106.334   46.639  143.988   71.462   78.395   61.557   82.982   23.370   63.930   22.237 19.05182 32.25939 
1 1 1  -31    9    6 o   72.214   21.706  105.724   59.883   0.0000   0.0000  105.724   59.883  ?   ?    72.214   21.706      ?      ? 
1 1 1  -31    9    8 o   72.297   20.168   83.971   56.174   89.896  168.554   83.231   59.580   79.180   33.872   65.413   21.899 13.76682 40.33502 
1 1 1  -31    9   10 o  122.477   21.875  316.344   79.018  364.585  190.767  306.353   86.816  119.027   39.161  125.927   19.506 -6.900566 43.74951 
1 1 1  -31    9   12 o   65.867   19.249   58.638   50.285   46.477  164.788   59.886   52.804   73.999   32.552   57.734   20.552 16.26549 38.49720 
1 1 1  -31    9   14 o  130.512   24.059  371.069  106.287  509.927  190.085  307.907  128.201  144.273   37.076  116.752   30.670 27.52007 48.11784 
1 1 1  -31    9   16 o   63.274   19.565   31.510   71.395   10.337  157.749   36.965   80.065   68.809   30.953   57.739   23.938 11.06932 39.12922 
1 1 1  -31   10   11 o   77.238   28.216  122.567  100.306   0.0000   0.0000  122.567  100.306  ?   ?    77.238   28.216      ?      ? 
1 1 1  -30    0    2 f  155.785   12.635  453.849   95.035  453.849   95.035  453.849   95.035  155.785   17.869  155.785   17.869 -0.000000 0.000000 
1 1 1  -30    0    4 o  117.746   25.226  318.314  129.552  318.314  129.552  318.314  129.552  117.746   35.675  117.746   35.675 -0.000000 0.000000 
1 1 1  -30    0    6 o   96.606   17.324  197.891   72.333  197.891   72.333  197.891   72.333   96.606   24.500   96.606   24.500 -0.000000 0.000000 
1 1 1  -30    0    8 o   38.638   15.778   34.402   49.272   34.402   49.272   34.402   49.272   38.638   22.313   38.638   22.313 -0.000000 0.000000 
1 1 1  -30    0   10 o  247.115   11.877  1110.93  145.143  1110.93  145.143  1110.93  145.143  247.115   16.796  247.115   16.796 -0.000000 0.000000 
1 1 1  -30    0   12 o  114.539   13.845  255.432   72.311  255.432   72.311  255.432   72.311  114.539   19.580  114.539   19.580 -0.000000 0.000000 
1 1 1  -30    0   14 o   48.117   16.862   62.134   48.889   62.134   48.889   62.134   48.889   48.117   23.846   48.117   23.846 -0.000000 0.000000 
1 1 1  -30    0   16 o  326.199   11.864  1927.04  192.272  1927.04  192.272  1927.04  192.272  326.199   16.778  326.199   16.778 -0.000000 0.000000 
1 1 1  -30    0   18 o  209.820   11.752  805.980  121.473  805.980  121.473  805.980  121.473  209.820   16.620  209.820   16.620 -0.000000 0.000000 
1 1 1  -30    0   20 o  200.388   12.406  740.504  122.074  740.504  122.074  740.504  122.074  200.388   17.545  200.388   17.545 -0.000000 0.000000 
1 1 1  -30    0   22 o  183.834   12.344  626.681  111.076  626.681  111.076  626.681  111.076  183.834   17.457  183.834   17.457 -0.000000 0.000000 
1 1 1  -30    0   24 o  152.489   12.436  437.448   91.512  437.448   91.512  437.448   91.512  152.489   17.587  152.489   17.587 -0.000000 0.000000 
1 1 1  -30    0   26 o  314.068   17.889  1885.56  276.635  1885.56  276.635  1885.56  276.635  314.068   25.298  314.068   25.298 -0.000000 0.000000 
1 1 1  -30    0   28 o   48.843   16.073   64.694   43.590   64.694   43.590   64.694   43.590   48.843   22.730   48.843   22.730 -0.000000 0.000000 
1 1 1  -30    0   30 f  344.899   12.427  2204.11  212.969  2204.11  212.969  2204.11  212.969  344.899   17.575  344.899   17.575 -0.000000 0.000000 
1 1 1  -30    1    1 o  138.758   13.229  362.101   63.596  292.755   92.023  425.503   87.990  125.082   20.815  152.434   16.332 -27.35169 26.45736 
1 1 1  -30    1    3 o   42.777   12.601   5.1468   33.048   28.656   43.534 -26.8306   50.772   47.428   18.313   38.125   17.315 9.302742 25.20277 
1 1 1  -30    1    5 o  184.967   11.996  625.482   78.419  624.619  110.293  626.365  111.520  184.869   16.880  185.065   17.049 -0.1964264 23.99174 
1 1 1  -30    1    7 o  305.982   12.091  1710.83  130.732  1667.65  184.597  1754.29  185.172  301.993   17.295  309.972   16.902 -7.979156 24.18202 
1 1 1  -30    1    9 o   82.305   14.581  130.671   43.563  173.630   61.494   87.397   61.720   95.696   18.852   68.914   22.250 26.78211 29.16242 
1 1 1  -30    1   11 o  233.575   11.849  995.960   97.694  945.063  138.650  1046.15  137.676  227.427   17.249  239.723   16.249 -12.29659 23.69709 
1 1 1  -30    1   13 o  179.995   11.808  591.166   75.095  583.556  107.101  598.526  105.323  178.770   16.950  181.220   16.444 -2.450256 23.61578 
1 1 1  -30    1   15 o   92.227   14.701  164.659   46.881  142.174   67.371  185.769   65.278   85.644   22.106   98.811   19.384 -13.16726 29.40113 
1 1 1  -30    1   17 f  341.341   14.949  2106.56  170.988  2392.50  299.973  1968.95  208.106  355.465   23.876  327.217   17.994 28.24823 29.89743 
1 1 1  -30    1   19 o  267.490   11.881  1312.92  112.167  1398.02  159.367  1229.37  157.898  276.362   16.315  258.617   17.274 17.74496 23.76118 
1 1 1  -30    1   21 o  285.287   15.738  1583.21  146.231  1663.52  178.936  1421.73  253.735  300.612   16.841  269.962   26.592 30.64984 31.47668 
1 1 1  -30    1   23 o  254.220   11.572  1192.57  103.904  1137.01  146.158  1249.33  147.738  248.029   16.673  260.410   16.051 -12.38051 23.14351 
1 1 1  -30    1   25 o   65.106   14.048   80.253   35.038   70.618   46.221   93.271   53.722   61.055   19.205   69.158   20.507 -8.103088 28.09638 
1 1 1  -30    1   27 o  415.214   20.404  3598.14  299.148  3471.98  425.301  3721.69  420.854  406.313   29.615  424.115   28.076 -17.80124 40.80803 
1 1 1  -30    1   29 o  222.465   11.613  933.802   91.278  909.055  129.386  958.321  128.789  219.298   16.693  225.633   16.149 -6.334930 23.22627 
1 1 1  -30    2    2 o  181.349   12.291  604.207   78.665  648.918  112.647  561.649  109.901  188.067   16.947  174.631   17.806 13.43597 24.58132 
1 1 1  -30    2    4 o  146.473   12.948  397.625   66.483  348.256   95.321  444.391   92.773  137.107   19.670  155.840   16.843 -18.73315 25.89619 
1 1 1  -30    2    6 o  308.155   12.195  1737.83  132.664  1850.24  189.081  1628.83  186.183  318.235   16.810  298.076   17.672 20.15961 24.39060 
1 1 1  -30    2    8 o  269.821   12.028  1332.15  114.426  1231.23  162.107  1432.37  161.539  259.259   17.691  280.383   16.301 -21.12378 24.05566 
1 1 1  -30    2   10 o  187.714   12.416  646.428   82.072  585.746  116.268  706.693  115.868  178.588   18.420  196.840   16.654 -18.25246 24.83276 
1 1 1  -30    2   12 o  169.613   12.267  526.269   73.471  554.783  104.470  498.366  103.346  174.286   16.959  164.939   17.728 9.346802 24.53334 
1 1 1  -30    2   14 o  196.570   11.905  705.741   82.676  733.922  117.851  678.432  116.015  200.512   16.629  192.629   17.040 7.882645 23.80959 
1 1 1  -30    2   16 o   75.050   14.591  108.858   40.737   81.031   59.262  133.786   56.091   66.575   21.823   83.524   19.375 -16.94842 29.18293 
1 1 1  -30    2   18 o  191.954   11.732  674.880   79.552  670.965  114.171  678.574  110.908  191.292   16.886  192.615   16.291 -1.323212 23.46386 
1 1 1  -30    2   20 o  169.548   11.792  528.391   70.628  514.661  100.467  541.807   99.308  167.244   16.996  171.852   16.350 -4.607834 23.58364 
1 1 1  -30    2   22 o  311.230   12.103  1791.36  133.063  1864.55  188.804  1719.13  187.561  317.793   16.809  304.668   17.418 13.12488 24.20599 
1 1 1  -30    2   24 o  388.754   12.853  2829.23  176.604  2825.96  249.980  2832.48  249.533  388.496   18.205  389.012   18.149 -0.5159912 25.70617 
1 1 1  -30    2   26 o  288.114   15.114  1588.05  144.192  1557.23  175.536  1651.97  252.838  288.187   17.233  288.042   24.835 0.1454468 30.22873 
1 1 1  -30    2   28 o  212.312   14.735  864.600  103.283  917.843  182.886  839.667  125.151  213.558   24.230  211.067   16.776 2.491119 29.47052 
1 1 1  -30    3    1 o   96.934   15.480  183.564   51.744  181.608   74.870  185.353   71.595   96.245   22.425   97.622   21.345 -1.377365 30.95947 
1 1 1  -30    3    3 o   69.783   16.061   90.343   45.430   95.274   65.374   85.737   63.179   71.280   22.887   68.287   22.540 2.992966 32.12247 
1 1 1  -30    3    5 o  191.375   12.044  671.713   81.306  651.646  117.521  690.136  112.605  188.382   17.651  194.369   16.391 -5.987091 24.08760 
1 1 1  -30    3    7 o  282.822   12.247  1464.19  122.267  1566.63  174.995  1366.50  170.900  292.711   16.915  272.933   17.716 19.77838 24.49420 
1 1 1  -30    3    9 o  306.431   12.211  1719.09  132.186  1685.21  188.686  1751.74  185.240  303.260   17.604  309.603   16.928 -6.342468 24.42237 
1 1 1  -30    3   11 o  148.353   12.321  402.782   64.385  447.467   92.459  360.711   89.713  156.546   16.710  140.161   18.110 16.38503 24.64130 
1 1 1  -30    3   13 o   88.235   14.821  150.338   45.603  162.991   64.478  137.673   64.507   92.118   20.347   84.352   21.556 7.766800 29.64215 
1 1 1  -30    3   15 o   66.024   14.248   81.503   38.018  109.825   51.398   47.289   56.493   75.687   19.187   56.361   21.069 19.32579 28.49664 
1 1 1  -30    3   17 o  221.990   14.712  918.677  108.395  915.730  132.546  924.625  188.343  223.543   16.776  220.438   24.174 3.104462 29.42441 
1 1 1  -30    3   19 o  259.626   11.987  1239.30  109.990  1260.59  156.403  1218.47  154.711  261.865   16.898  257.389   17.006 4.475922 23.97445 
1 1 1  -30    3   21 o  309.847   11.974  1771.55  131.086  1834.12  186.518  1710.48  184.269  315.408   16.731  304.285   17.134 11.12286 23.94783 
1 1 1  -30    3   23 o  223.755   11.557  925.823   91.280  986.607  130.122  866.932  128.080  231.240   15.921  216.271   16.756 14.96848 23.11343 
1 1 1  -30    3   25 o   56.638   15.142   49.085   42.536   68.470   54.413   18.623   68.207   61.135   20.926   52.142   21.891 8.993420 30.28370 
1 1 1  -30    3   27 o  192.644   14.739  729.139   94.616  751.816  117.596  687.508  159.332  200.087   16.628  185.202   24.341 14.88451 29.47864 
1 1 1  -30    3   29 o  102.348   12.969  200.831   45.273  262.612   68.169  152.078   60.556  117.872   16.363   86.824   20.126 31.04771 25.93811 
1 1 1  -30    4    2 o   60.236   14.276   55.115   40.407  108.520   56.620  -0.3159   57.683   74.880   20.701   45.591   19.664 29.28949 28.55198 
1 1 1  -30    4    4 o  144.292   13.088  385.021   66.657  380.682   96.460  388.987   92.217  143.329   19.041  145.255   17.962 -1.925766 26.17644 
1 1 1  -30    4    6 o  348.462   12.301  2230.50  151.377  2169.30  216.256  2289.29  211.967  343.456   17.815  353.468   16.967 -10.01236 24.60147 
1 1 1  -30    4    8 o  336.137   12.063  2068.44  143.288  2102.19  205.248  2036.36  200.128  338.753   17.143  333.520   16.977 5.233032 24.12660 
1 1 1  -30    4   10 o  189.915   12.207  663.304   81.600  614.376  117.572  708.777  113.343  182.757   18.202  197.074   16.272 -14.31749 24.41476 
1 1 1  -30    4   12 o   90.557   14.909  159.061   46.957  139.613   67.106  177.719   65.729   84.781   22.150   96.334   19.960 -11.55350 29.81713 
1 1 1  -30    4   14 f  225.963   11.812  932.986   94.221  999.097  135.908  871.808  130.739  233.776   16.448  218.150   16.956 15.62694 23.62345 
1 1 1  -30    4   16 o  152.057   11.669  422.167   62.618  453.096   91.317  394.717   86.029  157.324   16.422  146.790   16.582 10.53423 23.33759 
1 1 1  -30    4   18 o  195.377   12.030  702.966   82.968  675.136  118.485  729.741  116.218  191.346   17.520  199.408   16.490 -8.061676 24.05913 
1 1 1  -30    4   20 o  207.040   11.805  789.677   86.320  832.516  123.312  748.515  120.874  212.691   16.403  201.389   16.982 11.30229 23.61031 
1 1 1  -30    4   22 o  332.181   12.571  2055.47  147.536  2130.66  209.654  1981.71  207.655  338.438   17.527  325.923   18.026 12.51511 25.14238 
1 1 1  -30    4   24 o  250.960   14.541  1186.19  122.591  1263.27  210.558  1146.66  150.783  254.202   23.435  247.719   17.222 6.482849 29.08268 
1 1 1  -30    4   26 o  124.530   12.622  292.000   55.274  334.420   80.757  254.610   75.817  133.323   17.138  115.737   18.534 17.58586 25.24310 
1 1 1  -30    4   28 f  308.424   16.167  1957.75  162.076  2088.34  199.958  1707.61  276.738  331.855   17.048  284.992   27.474 46.86249 32.33309 
1 1 1  -30    5    1 o  146.475   13.026  402.104   66.709  339.865   94.801  463.151   93.889  134.531   19.937  158.419   16.768 -23.88797 26.05138 
1 1 1  -30    5    3 o  137.094   14.155  371.944   62.356  228.290   89.492  507.500   86.933  107.347   24.169  166.842   14.742 -59.49458 28.31045 
1 1 1  -30    5    5 o  239.631   11.990  1061.56  100.625  910.013  143.135  1209.64  141.489  221.889   18.251  257.373   15.554 -35.48453 23.97975 
1 1 1  -30    5    7 o   71.166   15.814   74.968   44.705   34.386   54.364  159.723   78.565   52.297   20.389   90.036   24.178 -37.73817 31.62714 
1 1 1  -30    5    9 o   50.676   13.527   34.929   33.810   50.897   46.543   17.090   49.196   55.052   19.326   46.301   18.934 8.751060 27.05470 
1 1 1  -30    5   11 o  296.561   11.328  1604.27  118.642  1694.67  170.782  1519.94  164.942  304.724   15.857  288.399   16.181 16.32541 22.65559 
1 1 1  -30    5   13 o  174.820   14.751  596.578   84.477  490.002  141.169  656.033  105.439  160.050   24.955  189.591   15.735 -29.54030 29.50185 
1 1 1  -30    5   15 o  361.783   12.557  2411.95  160.516  2492.02  229.418  2335.16  224.665  367.753   17.650  355.813   17.865 11.94000 25.11329 
1 1 1  -30    5   17 o  171.236   11.442  538.478   69.086  525.537  100.421  550.107   95.194  169.033   16.809  173.438   15.529 -4.404892 22.88410 
1 1 1  -30    5   19 o  226.289   12.048  945.280   96.279  958.900  139.430  932.866  133.108  227.680   17.327  224.899   16.745 2.780670 24.09601 
1 1 1  -30    5   21 o  481.855   13.678  4366.48  232.924  4453.63  330.971  4280.96  327.859  486.778   19.237  476.932   19.450 9.845978 27.35607 
1 1 1  -30    5   23 o   40.909   11.977   8.8237   28.764   24.535   41.460  -5.7554   39.938   45.051   17.734   36.766   16.103 8.285110 23.95427 
1 1 1  -30    5   25 o   91.256   14.968  168.785   47.534  141.542   69.593  192.608   65.079   83.392   22.908   99.119   19.271 -15.72677 29.93543 
1 1 1  -30    5   27 o  311.958   15.262  1873.18  157.770  2048.74  279.266  1790.88  191.206  317.107   24.917  306.810   17.632 10.29691 30.52456 
1 1 1  -30    6    2 f   97.333   15.240  187.736   51.230  154.334   73.711  218.947   71.252   88.047   23.317  106.620   19.631 -18.57327 30.48064 
1 1 1  -30    6    4 o   86.266   15.037  146.716   46.479  186.146   65.235  106.061   66.241   98.370   19.452   74.163   22.937 24.20639 30.07454 
1 1 1  -30    6    6 o  162.622   12.088  487.736   69.351  471.241   99.963  503.042   96.293  159.728   17.707  165.516   16.460 -5.788147 24.17579 
1 1 1  -30    6    8 o  120.961   13.250  274.172   54.808  324.714   79.424  228.225   75.728  132.916   16.907  109.006   20.405 23.90975 26.49931 
1 1 1  -30    6   10 o   68.258   14.449   86.675   39.314   51.550   55.614  121.762   55.583   57.150   20.990   79.365   19.862 -22.21516 28.89789 
1 1 1  -30    6   12 o  272.550   15.271  1462.04  134.975  1206.78  229.780  1596.51  166.781  249.757   26.030  295.343   15.977 -45.58607 30.54224 
1 1 1  -30    6   14 o   43.255   11.892   7.8951   29.076 -29.4313   39.684   51.158   42.723   32.270   14.896   54.241   18.542 -21.97123 23.78479 
1 1 1  -30    6   16 o  439.235   13.139  3585.62  203.964  3626.03  290.841  3546.52  286.114  441.609   18.634  436.861   18.530 4.748291 26.27877 
1 1 1  -30    6   18 o  131.025   13.675  332.019   60.004  260.706   87.420  395.547   82.511  115.396   22.240  146.655   15.918 -31.25862 27.34984 
1 1 1  -30    6   20 o  111.302   14.447  238.269   54.709  321.479   80.330  166.284   74.716  131.475   17.287   91.129   23.151 40.34538 28.89307 
1 1 1  -30    6   22 o  160.871   12.369  480.060   69.730  575.050  103.571  401.307   94.305  175.707   16.677  146.036   18.271 29.67133 24.73776 
1 1 1  -30    6   24 o   89.775   21.150  174.107   77.540  141.205  139.485  188.821   93.281   84.977   32.790   94.573   26.724 -9.596016 42.30032 
1 1 1  -30    6   26 f   87.833   18.052  175.719   57.955  100.117  125.446  196.233   65.347   76.027   30.543   99.640   19.252 -23.61370 36.10463 
1 1 1  -30    7    1 o   52.661   17.278 -15.0849   48.629 -40.8100  148.964 -12.0165   51.447   64.701   29.490   40.620   18.013 24.08086 34.55605 
1 1 1  -30    7    3 o  111.560   14.672  239.821   56.384  233.710   83.217  245.008   76.662  108.825   22.382  114.295   18.977 -5.469452 29.34474 
1 1 1  -30    7    5 o   46.279   12.830   21.605   31.425   1.6747   43.071   44.291   45.953   40.011   17.120   52.547   19.113 -12.53635 25.65908 
1 1 1  -30    7    7 o   70.165   16.376   91.243   49.304  123.764   66.232   50.823   73.840   79.424   22.545   60.906   23.757 18.51854 32.75179 
1 1 1  -30    7    9 o  197.424   12.124  718.491   84.552  747.097  121.951  692.011  117.332  201.203   17.149  193.646   17.143 7.556961 24.24800 
1 1 1  -30    7   11 o  120.558   13.321  279.750   53.849  217.272   78.101  336.365   74.345  105.588   21.654  135.529   15.520 -29.94113 26.64184 
1 1 1  -30    7   13 o  442.705   13.066  3645.26  204.399  3598.96  290.710  3690.53  287.444  439.648   18.708  445.761   18.244 -6.113281 26.13164 
1 1 1  -30    7   15 o  210.303   12.018  816.592   89.116  895.799  128.238  742.620  123.929  220.443   16.459  200.164   17.517 20.27873 24.03647 
1 1 1  -30    7   17 o  102.677   14.412  205.052   50.442  226.815   72.112  184.201   70.584  108.492   19.524   96.861   21.206 11.63103 28.82434 
1 1 1  -30    7   19 o  208.960   16.568  830.598  107.914  887.508  210.125  810.210  125.767  209.253   28.411  208.667   17.053 0.5864868 33.13577 
1 1 1  -30    7   21 o  184.198   15.524  616.696   91.502  758.723  176.917  564.829  106.912  194.789   25.697  173.606   17.424 21.18323 31.04713 
1 1 1  -30    7   23 o   58.354   22.608   51.250   66.523   0.0000   0.0000   51.250   66.523  ?   ?    58.354   22.608      ?      ? 
1 1 1  -30    7   25 o  133.258   19.106  374.847   76.474  373.360  153.964  375.334   88.111  126.132   33.836  140.384   17.758 -14.25173 38.21270 
1 1 1  -30    8    2 o   57.349   18.141   11.856   43.110   23.791  154.426   10.847   44.895   72.006   31.597   42.692   17.831 29.31423 36.28104 
1 1 1  -30    8    4 o   58.059   13.523   53.861   36.160   4.9640   51.420  101.698   50.860   43.967   18.756   72.151   19.486 -28.18400 27.04611 
1 1 1  -30    8    6 o  181.363   12.365  612.525   78.676  607.111  118.203  616.832  105.421  180.059   18.573  182.666   16.329 -2.606476 24.73044 
1 1 1  -30    8    8 o  176.718   12.101  582.745   74.973  535.180  109.966  624.059  102.486  169.302   18.377  184.135   15.747 -14.83224 24.20113 
1 1 1  -30    8   10 o  184.497   12.280  627.469   79.571  733.310  117.245  537.091  108.343  199.182   16.654  169.812   18.051 29.36926 24.56048 
1 1 1  -30    8   12 o  111.308   14.225  239.765   54.106  208.366   79.181  267.267   74.105  102.659   22.448  119.957   17.478 -17.29790 28.45018 
1 1 1  -30    8   14 o  312.210   16.463  1860.95  165.007  1934.77  305.081  1830.42  196.177  310.922   27.761  313.497   17.705 -2.574371 32.92668 
1 1 1  -30    8   16 o   54.502   16.800   22.817   40.439 -38.2969  136.354   28.711   42.344   62.356   28.341   46.648   18.048 15.70800 33.59935 
1 1 1  -30    8   18 o   68.312   17.037   90.629   51.304 -30.0572  124.498  115.315   56.307   60.223   27.256   76.400   20.448 -16.17757 34.07362 
1 1 1  -30    8   20 o   64.331   17.681   68.317   49.422 -21.8233  138.106   81.556   52.927   63.657   28.768   65.005   20.564 -1.347542 35.36205 
1 1 1  -30    8   22 o  261.057   17.205  1285.51  158.753   0.0000   0.0000  1285.51  158.753  ?   ?   261.057   17.205      ?      ? 
1 1 1  -30    8   24 o   74.963   16.921  129.113   56.173 -82.8975  147.162  165.272   60.775   58.880   27.676   91.045   19.476 -32.16506 33.84129 
1 1 1  -30    9    1 o   59.348   16.493   44.268   46.780   29.969   55.500   79.357   86.938   50.592   20.319   68.104   25.984 -17.51196 32.98542 
1 1 1  -30    9    3 o  114.689   15.230  262.931   59.081  231.141   90.795  286.275   77.806  106.106   24.677  123.273   17.858 -17.16688 30.46039 
1 1 1  -30    9    5 o  139.766   22.651  412.524   85.158  433.706  217.521  408.690   92.545  131.947   41.683  147.585   17.742 -15.63722 45.30190 
1 1 1  -30    9    7 o  161.273   17.973  365.744   79.852  818.037  211.177  290.284   86.257  198.852   30.047  123.695   19.730 75.15742 35.94537 
1 1 1  -30    9    9 o  102.740   19.469  254.950   72.340   65.429  177.059  292.924   79.256   80.405   34.565  125.075   17.928 -44.67020 38.93788 
1 1 1  -30    9   11 o  207.981   16.850  742.232  102.859  1049.85  232.480  667.355  114.696  226.716   29.012  189.246   17.148 37.46989 33.70097 
1 1 1  -30    9   13 o  236.726   14.940  936.307  111.519  1409.40  228.819  788.929  127.713  268.066   24.151  205.387   17.593 62.67955 29.87938 
1 1 1  -30    9   15 o  128.572   19.841  270.334   69.427  493.701  174.889  228.549   75.642  149.219   33.928  107.926   20.581 41.29218 39.68225 
1 1 1  -30    9   17 o   86.440   21.480  108.183   53.593  246.502  175.686   93.991   56.275  103.668   37.423   69.212   21.095 34.45559 42.95906 
1 1 1  -30    9   19 o   72.933   19.208   54.487   47.562  202.737  135.415   33.625   50.798   95.671   32.999   50.196   19.671 45.47488 38.41683 
1 1 1  -30    9   21 o  234.909   17.238  1044.13  143.122   0.0000   0.0000  1044.13  143.122  ?   ?   234.909   17.238      ?      ? 
1 1 1  -30    9   23 o  257.183   20.076  1422.78  179.867  1309.98  267.846  1515.41  242.743  243.289   31.149  271.077   25.336 -27.78787 40.15166 
1 1 1  -30   10    2 o   78.717   22.216  112.420   87.994   68.977  177.531  126.569  101.315   78.354   34.143   79.079   28.435 -0.7241821 44.43300 
1 1 1  -30   10    4 o  120.200   21.718  339.270   80.657  257.007  199.778  355.290   88.162  103.613   39.423  136.787   18.235 -33.17435 43.43637 
1 1 1  -30   10    6 o   63.680   19.204   44.974   49.349   10.338  174.028   48.002   51.461   72.995   32.698   54.365   20.151 18.63032 38.40876 
1 1 1  -30   10    8 o  140.544   21.569  326.909   76.878  595.672  214.898  287.466   82.326  158.068   38.762  123.018   18.934 35.05006 43.13889 
1 1 1  -30   10   10 o   84.042   20.419  141.710   60.943   90.426  174.972  148.791   65.014   81.913   34.761   86.172   21.435 -4.259872 40.83834 
1 1 1  -30   10   12 o  110.935   21.227  240.859   67.145  294.298  181.773  232.415   72.255  111.052   38.236  110.818   18.447 0.2336197 42.45374 
1 1 1  -30   10   14 o   49.724   16.389  -0.3098   39.252 -109.7009  155.698   7.1147   40.562   59.531   28.130   39.917   16.827 19.61437 32.77847 
1 1 1  -30   10   16 o  132.015   21.451  448.501   87.745  240.972  202.434  496.511   97.367  101.529   39.410  162.501   16.953 -60.97156 42.90193 
1 1 1  -30   10   18 o  119.975   20.307  402.185   85.509   76.325  216.857  462.177   93.048   83.354   36.971  156.596   16.811 -73.24221 40.61408 
1 1 1  -30   10   20 o   87.182   22.772  130.455   86.491  275.146  163.557   74.287  101.905  105.806   36.279   68.558   27.534 37.24808 45.54422 
1 1 1  -30   11    3 o   48.169   21.799 -23.1529   79.629   0.0000   0.0000 -23.1529   79.629  ?   ?    48.169   21.799      ?      ? 
1 1 1  -30   11    5 o   87.664   18.707  191.326   68.973 -74.9885  189.240  232.122   74.067   67.248   31.537  108.081   20.130 -40.83266 37.41343 
1 1 1  -30   11    7 o  148.768   22.030  463.096   88.145  526.422  212.951  450.004   96.830  143.634   40.305  153.902   17.801 -10.26826 44.06054 
1 1 1  -30   11    9 o  197.530   21.019  765.846  109.990  946.976  259.246  726.085  121.464  199.267   38.199  195.792   17.552 3.475372 42.03888 
1 1 1  -30   11   11 o  116.547   21.053  199.485   60.757  484.914  186.245  165.492   64.273  142.187   36.782   90.908   20.494 51.27899 42.10577 
1 1 1  -30   11   13 f   69.298   19.762   72.143   51.290   48.620  177.004   74.299   53.589   76.238   33.628   62.359   20.767 13.87914 39.52398 
1 1 1  -30   11   15 o   88.516   22.627   95.407   52.662  336.684  200.734   77.573   54.574  113.656   40.113   63.376   20.950 50.27962 45.25464 
1 1 1  -30   11   17 o  164.502   23.109  577.628  124.724  774.152  215.684  478.895  152.877  182.259   34.750  146.745   30.472 35.51408 46.21822 
1 1 1  -30   11   19 o  143.414   24.888  430.733  114.803  698.187  223.932  335.376  133.711  166.098   38.839  120.729   31.134 45.36933 49.77697 
1 1 1  -30   12    6 o   90.295   26.041  176.320   87.692   0.0000   0.0000  176.320   87.692  ?   ?    90.295   26.041      ?      ? 
1 1 1  -30   12    8 o   65.407   20.978   84.768   54.935   0.0000   0.0000   84.768   54.935  ?   ?    65.407   20.978      ?      ? 
1 1 1  -30   12   10 o  156.436   17.725  467.925   98.006   0.0000   0.0000  467.925   98.006  ?   ?   156.436   17.725      ?      ? 
1 1 1  -30   12   12 o  144.887   25.907  458.634  120.951  681.539  236.339  379.538  140.784  160.773   41.355  129.001   31.215 31.77219 51.81361 
1 1 1  -30   12   14 o   99.835   24.774  219.652   97.180  309.598  196.201  190.412  111.866  107.834   39.452   91.835   29.977 15.99965 49.54873 
1 1 1  -29    0    1 o   80.995   19.131  152.498   69.052  152.498   69.052  152.498   69.052   80.995   27.055   80.995   27.055 -0.000000 0.000000 
1 1 1  -29    0    3 o   69.889   22.118  129.400   82.279  129.400   82.279  129.400   82.279   69.889   31.279   69.889   31.279 -0.000000 0.000000 
1 1 1  -29    0    5 o   65.840   18.908  109.196   61.008  109.196   61.008  109.196   61.008   65.840   26.740   65.840   26.740 -0.000000 0.000000 
1 1 1  -29    0    7 o  122.537   14.037  289.443   79.209  289.443   79.209  289.443   79.209  122.537   19.852  122.537   19.852 -0.000000 0.000000 
1 1 1  -29    0    9 o  313.839   11.955  1777.96  186.300  1777.96  186.300  1777.96  186.300  313.839   16.907  313.839   16.907 -0.000000 0.000000 
1 1 1  -29    0   11 o  302.466   12.188  1653.90  182.892  1653.90  182.892  1653.90  182.892  302.466   17.236  302.466   17.236 -0.000000 0.000000 
1 1 1  -29    0   13 o  359.210   12.370  2328.20  220.898  2328.20  220.898  2328.20  220.898  359.210   17.494  359.210   17.494 -0.000000 0.000000 
1 1 1  -29    0   15 o  203.718   11.404  755.865  114.447  755.865  114.447  755.865  114.447  203.718   16.127  203.718   16.127 -0.000000 0.000000 
1 1 1  -29    0   17 o  165.464   12.159  506.034   98.075  506.034   98.075  506.034   98.075  165.464   17.195  165.464   17.195 -0.000000 0.000000 
1 1 1  -29    0   19 o   46.259   17.011   56.903   51.136   56.903   51.136   56.903   51.136   46.259   24.057   46.259   24.057 -0.000000 0.000000 
1 1 1  -29    0   21 o  284.530   17.415  1509.80  243.415  1509.80  243.415  1509.80  243.415  284.530   24.629  284.530   24.629 -0.000000 0.000000 
1 1 1  -29    0   23 o  278.685   12.159  1412.92  167.899  1412.92  167.899  1412.92  167.899  278.685   17.196  278.685   17.196 -0.000000 0.000000 
1 1 1  -29    0   25 o  566.245   14.930  5866.80  421.238  5866.80  421.238  5866.80  421.238  566.245   21.114  566.245   21.114 -0.000000 0.000000 
1 1 1  -29    0   27 o  261.113   17.671  1297.04  225.779  1297.04  225.779  1297.04  225.779  261.113   24.990  261.113   24.990 -0.000000 0.000000 
1 1 1  -29    0   29 o  356.753   12.521  2334.03  222.017  2334.03  222.017  2334.03  222.017  356.753   17.707  356.753   17.707 -0.000000 0.000000 
1 1 1  -29    0   31 o   51.164   16.732   71.135   47.209   71.135   47.209   71.135   47.209   51.164   23.663   51.164   23.663 -0.000000 0.000000 
1 1 1  -29    1    2 o   46.661   13.175   13.248   34.056 -12.8853   45.742   45.750   51.012   38.488   17.030   54.833   20.108 -16.34479 26.35086 
1 1 1  -29    1    4 o  128.707   13.606  308.831   58.591  222.090   80.819  404.926   85.065  107.889   21.941  149.525   16.096 -41.63550 27.21213 
1 1 1  -29    1    6 o  136.398   12.646  338.980   60.877  355.313   85.485  322.174   86.715  139.864   17.293  132.933   18.456 6.931732 25.29170 
1 1 1  -29    1    8 o  152.860   12.169  425.600   65.379  475.026   92.334  375.901   92.588  162.039   16.122  143.681   18.232 18.35838 24.33774 
1 1 1  -29    1   10 o  126.011   12.533  288.941   55.743  280.502   80.164  296.842   77.565  124.118   18.274  127.905   17.158 -3.786987 25.06616 
1 1 1  -29    1   12 o  494.310   13.804  4468.73  241.166  4480.89  340.932  4456.55  341.187  495.013   19.486  493.607   19.556 1.406219 27.60754 
1 1 1  -29    1   14 o  106.169   14.269  212.804   51.563  215.672   74.247  210.133   71.663  106.806   20.412  105.532   19.944 1.274467 28.53786 
1 1 1  -29    1   16 o  121.029   13.397  276.317   54.296  348.940   76.695  203.348   76.878  138.888   15.624  103.170   21.767 35.71768 26.79385 
1 1 1  -29    1   18 o  126.061   15.965  306.501   65.220  279.537  110.803  320.796   80.676  119.370   26.906  132.752   17.194 -13.38232 31.93084 
1 1 1  -29    1   20 o  409.575   13.065  3074.70  189.105  3140.11  267.725  3009.58  267.145  414.067   18.294  405.083   18.659 8.983856 26.13051 
1 1 1  -29    1   22 o  426.956   16.588  3434.68  235.496  3417.40  406.078  3443.43  289.070  421.572   27.253  432.339   18.917 -10.76755 33.17531 
1 1 1  -29    1   24 o  274.404   12.060  1382.01  116.959  1375.69  164.710  1388.45  166.109  273.791   17.021  275.017   17.089 -1.226349 24.11921 
1 1 1  -29    1   26 o  146.331   16.444  394.027   85.047  394.027   85.047   0.0000   0.0000  146.331   16.444  ?   ?       ?      ? 
1 1 1  -29    1   28 o  370.008   12.732  2561.92  166.408  2463.71  235.263  2660.25  235.409  362.500   18.362  377.515   17.643 -15.01489 25.46453 
1 1 1  -29    1   30 o  146.911   11.955  404.818   62.060  415.193   87.949  394.529   87.584  148.882   16.714  144.939   17.097 3.942154 23.90911 
1 1 1  -29    1   32 o  192.642   14.304  710.286   91.567  683.788  111.389  765.512  160.807  190.188   16.571  195.096   23.320 -4.907654 28.60816 
1 1 1  -29    2    1 o  246.518   12.229  1107.41  106.539  1124.45  152.092  1090.99  149.285  248.367   17.326  244.670   17.263 3.696503 24.45796 
1 1 1  -29    2    3 o  119.769   14.464  270.801   58.962  220.200   84.034  319.868   82.751  107.040   22.904  132.498   17.670 -25.45799 28.92817 
1 1 1  -29    2    5 o  233.612   11.760  989.971   97.055  953.009  136.731  1027.51  137.787  229.124   16.884  238.100   16.373 -8.975006 23.51905 
1 1 1  -29    2    7 o  131.508   13.207  315.748   61.336  309.578   87.932  321.595   85.601  130.158   19.114  132.859   18.229 -2.700134 26.41313 
1 1 1  -29    2    9 o  205.097   11.904  763.343   86.118  822.038  122.307  705.630  121.279  213.104   16.238  197.090   17.410 16.01338 23.80741 
1 1 1  -29    2   11 o   70.608   14.867   91.063   41.663   54.027   58.886  128.187   58.955   59.176   21.619   82.040   20.414 -22.86387 29.73415 
1 1 1  -29    2   13 o  240.922   11.987  1053.34  102.046  1081.75  144.737  1025.25  143.897  244.221   16.768  237.622   17.133 6.598389 23.97324 
1 1 1  -29    2   15 o  163.741   12.339  487.403   71.373  510.279  102.150  465.582   99.765  167.546   17.250  159.936   17.649 7.610077 24.67866 
1 1 1  -29    2   17 o  108.106   13.894  220.944   51.295  182.300   74.113  256.475   71.065   97.438   22.037  118.775   16.928 -21.33681 27.78809 
1 1 1  -29    2   19 o  284.669   11.831  1474.86  119.030  1461.20  168.896  1488.33  167.779  283.293   16.868  286.045   16.595 -2.752197 23.66281 
1 1 1  -29    2   21 o  204.942   12.078  767.246   87.453  792.182  123.912  742.499  123.443  208.359   16.826  201.526   17.331 6.832901 24.15510 
1 1 1  -29    2   23 o  357.377   15.477  2382.14  184.859  2356.51  227.194  2432.34  317.989  357.900   17.960  356.854   25.212 1.045685 30.95485 
1 1 1  -29    2   25 o  380.044   18.184  2798.66  242.831  2453.83  340.274  3156.52  346.644  354.220   27.179  405.868   24.165 -51.64746 36.36792 
1 1 1  -29    2   27 f  219.846   17.033  938.151  132.297  923.871  188.622  951.978  185.607  217.864   24.496  221.828   23.673 -3.964493 34.06541 
1 1 1  -29    2   29 o   53.908   11.231   41.132   28.327  103.941   41.288 -14.7244   38.936   73.445   16.328   34.371   15.426 39.07443 22.46294 
1 1 1  -29    2   31 o   90.946   15.645  151.108   48.394  107.801   58.905  241.030   84.882   73.160   21.414  108.733   22.815 -35.57285 31.28998 
1 1 1  -29    3    2 o  185.484   12.594  632.368   81.940  573.888  119.370  684.477  112.680  176.874   19.095  194.093   16.426 -17.21812 25.18727 
1 1 1  -29    3    4 o   92.583   17.761  167.411   59.302  176.152   77.571  155.117   91.993   95.508   23.207   89.658   26.893 5.850563 35.52184 
1 1 1  -29    3    6 o  245.887   12.080  1102.90  104.508  1006.05  149.843  1194.63  145.832  234.944   18.045  256.829   16.065 -21.88486 24.16010 
1 1 1  -29    3    8 o   95.571   15.225  174.547   50.139  175.463   72.879  173.724   69.086   95.697   22.006   95.445   21.045 0.2523651 30.44965 
1 1 1  -29    3   10 o  124.542   13.849  289.261   59.128  257.134   84.855  319.582   82.437  116.523   21.392  132.562   17.595 -16.03902 27.69837 
1 1 1  -29    3   12 o  396.818   12.831  2870.29  179.871  2766.60  254.211  2974.25  254.542  389.423   18.469  404.213   17.817 -14.78918 25.66234 
1 1 1  -29    3   14 o  128.087   13.070  299.528   59.166  302.873   83.669  296.183   83.679  128.826   18.376  127.348   18.591 1.478218 26.13979 
1 1 1  -29    3   16 o  206.753   11.863  777.307   86.600  740.503  122.728  813.805  122.216  201.725   17.213  211.781   16.328 -10.05531 23.72523 
1 1 1  -29    3   18 o  433.313   13.118  3439.43  200.795  3579.83  284.557  3300.19  283.379  442.410   18.198  424.216   18.900 18.19379 26.23693 
1 1 1  -29    3   20 o  165.420   12.015  500.339   69.471  596.647   99.949  410.323   96.629  181.265   15.601  149.576   18.278 31.68956 24.03049 
1 1 1  -29    3   22 f  360.417   12.424  2383.28  158.262  2417.80  224.669  2349.28  222.973  363.054   17.509  357.780   17.633 5.274445 24.84879 
1 1 1  -29    3   24 o   99.690   15.669  190.316   52.418  209.648   86.113  178.936   66.069  102.992   24.086   96.387   20.047 6.605148 31.33714 
1 1 1  -29    3   26 o  252.124   11.822  1173.70  105.340  1183.61  150.221  1164.11  147.755  253.124   16.791  251.123   16.647 2.000473 23.64450 
1 1 1  -29    3   28 o  508.333   20.595  4934.43  370.026   0.0000   0.0000  4934.43  370.026  ?   ?   508.333   20.595      ?      ? 
1 1 1  -29    3   30 o  181.505   11.815  619.236   75.287  708.343  107.805  534.403  105.188  194.924   15.648  168.086   17.706 26.83821 23.62939 
1 1 1  -29    3   32 o  125.289   12.164  298.461   53.741  327.198   77.683  272.085   74.424  131.303   16.739  119.275   17.654 12.02815 24.32824 
1 1 1  -29    4    1 o  170.070   12.619  532.238   75.295  465.863  107.411  596.366  105.577  159.163   19.094  180.977   16.506 -21.81303 25.23876 
1 1 1  -29    4    3 o  261.879   12.458  1251.41  115.076  1356.43  164.415  1150.56  161.117  272.914   17.045  250.844   18.173 22.06958 24.91541 
1 1 1  -29    4    5 o  171.734   12.354  534.661   74.790  589.394  109.904  487.454  102.067  179.936   17.281  163.531   17.659 16.40428 24.70792 
1 1 1  -29    4    7 o   33.568   10.824 -24.4929   27.995 -28.1096   36.704 -19.4628   43.286   31.069   14.336   36.067   16.220 -4.998425 21.64781 
1 1 1  -29    4    9 o  135.279   13.341  344.137   60.814  273.058   87.688  410.005   84.413  120.068   21.450  150.490   15.870 -30.42191 26.68264 
1 1 1  -29    4   11 o  237.611   11.859  1024.92   99.556  1028.33  142.952  1021.71  138.729  237.908   17.001  237.314   16.540 0.5940552 23.71865 
1 1 1  -29    4   13 o  292.131   11.909  1549.68  122.928  1577.66  176.409  1523.26  171.393  294.647   16.939  289.614   16.744 5.033203 23.81799 
1 1 1  -29    4   15 o  182.521   11.822  604.096   76.174  645.704  110.533  566.462  105.122  188.533   16.588  176.510   16.850 12.02365 23.64482 
1 1 1  -29    4   17 o  181.155   12.021  598.445   76.872  575.269  109.938  620.617  107.529  177.553   17.519  184.758   16.467 -7.205460 24.04273 
1 1 1  -29    4   19 o  269.022   16.725  1360.01  158.260  1198.09  220.934  1530.66  226.809  251.755   24.829  286.289   22.415 -34.53450 33.45029 
1 1 1  -29    4   21 o  220.461   11.484  886.958   89.454  873.964  127.582  899.523  125.460  218.761   16.501  222.161   15.978 -3.399673 22.96871 
1 1 1  -29    4   23 o  263.814   11.972  1278.17  111.604  1272.49  159.321  1283.64  156.383  263.119   17.132  264.508   16.727 -1.388489 23.94371 
1 1 1  -29    4   25 o  134.638   16.191  351.651   71.274  353.895   88.502  347.511  120.229  138.018   18.142  131.258   26.822 6.759796 32.38127 
1 1 1  -29    4   27 o  139.355   16.276  405.415   71.648  466.511   90.129  300.513  118.101  158.779   16.060  119.932   28.315 38.84662 32.55250 
1 1 1  -29    4   29 o  306.276   12.345  1767.63  132.862  2003.86  190.079  1541.95  185.784  327.384   16.427  285.167   18.433 42.21701 24.69026 
1 1 1  -29    4   31 o  213.918   14.158  835.945   99.372  1046.21  184.526  750.056  117.934  228.751   22.823  199.085   16.760 29.66615 28.31602 
1 1 1  -29    5    2 o  205.886   11.776  772.861   85.655  756.198  121.927  789.099  120.357  203.584   16.945  208.188   16.357 -4.604797 23.55141 
1 1 1  -29    5    4 o  151.817   12.230  422.214   65.216  372.227   92.680  471.240   91.784  142.567   18.393  161.066   16.123 -18.49907 24.45906 
1 1 1  -29    5    6 o   74.011   15.241  103.714   42.274  101.356   58.713  106.253   60.916   73.190   21.366   74.833   21.740 -1.642952 30.48209 
1 1 1  -29    5    8 o  140.751   12.613  364.147   62.223  326.502   90.501  397.896   85.690  133.453   19.187  148.049   16.376 -14.59607 25.22504 
1 1 1  -29    5   10 o  175.455   11.999  559.534   74.174  563.757  109.488  555.951  100.840  175.875   17.613  175.035   16.300 0.8398438 23.99836 
1 1 1  -29    5   12 o  235.155   11.590  1003.41   96.262  1018.33  139.153  989.725  133.306  236.738   16.631  233.572   16.148 3.165131 23.18014 
1 1 1  -29    5   14 o  224.606   11.735  915.494   93.066  973.919  134.593  861.970  128.825  231.516   16.448  217.696   16.743 13.81993 23.47073 
1 1 1  -29    5   16 o  298.673   11.914  1625.15  125.701  1616.83  180.390  1633.00  175.258  297.775   17.140  299.571   16.552 -1.796478 23.82748 
1 1 1  -29    5   18 o  172.744   11.840  544.657   72.119  538.064  105.289  550.484   98.984  171.556   17.364  173.932   16.102 -2.375687 23.68076 
1 1 1  -29    5   20 o  182.458   12.064  607.615   77.645  662.628  112.998  558.407  106.871  190.357   16.795  174.560   17.322 15.79677 24.12724 
1 1 1  -29    5   22 o  335.381   12.404  2068.98  146.883  2202.69  210.952  1943.15  204.641  346.115   17.244  324.646   17.835 21.46866 24.80794 
1 1 1  -29    5   24 o  199.250   17.776  776.024  123.785  861.843  170.842  681.177  179.605  212.551   22.741  185.949   27.328 26.60208 35.55219 
1 1 1  -29    5   26 o  193.648   14.048  648.588   89.456  886.219  167.812  554.257  105.730  214.767   22.107  172.529   17.339 42.23790 28.09561 
1 1 1  -29    5   28 o  368.000   18.630  2735.16  241.230  3065.46  347.598  2428.27  335.049  391.524   25.119  344.477   27.519 47.04636 37.25903 
1 1 1  -29    5   30 o  213.623   18.787  950.624  140.237  883.810  208.005  1006.30  189.882  203.863   28.868  223.383   24.050 -19.52037 37.57337 
1 1 1  -29    6    1 o  107.861   15.280  225.176   56.007  210.660   82.640  237.506   76.166  103.994   23.085  111.728   20.023 -7.733597 30.55925 
1 1 1  -29    6    3 f  116.670   15.832  275.389   60.969  196.953   97.477  325.792   78.141   99.671   27.001  133.668   16.540 -33.99735 31.66411 
1 1 1  -29    6    5 o  206.801   12.083  782.181   88.081  733.394  126.215  828.498  122.979  200.208   17.837  213.393   16.305 -13.18483 24.16620 
1 1 1  -29    6    7 o   78.512   15.076  118.214   42.995  109.166   61.429  126.902   60.197   75.692   21.786   81.333   20.845 -5.641861 30.15161 
1 1 1  -29    6    9 o   60.254   16.700   50.103   46.193 -26.8262  113.521   65.368   50.568   59.783   26.621   60.725   20.171 -0.9422035 33.39943 
1 1 1  -29    6   11 o  104.048   14.397  207.202   51.427  160.072   74.407  250.306   71.159   90.914   23.107  117.181   17.181 -26.26673 28.79457 
1 1 1  -29    6   13 o  417.900   12.740  3198.68  187.890  3022.45  266.908  3371.79  264.541  406.009   18.600  429.791   17.415 -23.78223 25.47982 
1 1 1  -29    6   15 o   86.079   15.487  141.451   47.494  172.043   69.989  115.340   64.660   94.539   21.439   77.619   22.355 16.92013 30.97378 
1 1 1  -29    6   17 o  443.774   16.287  3727.09  240.018  3793.82  295.475  3597.65  411.536  454.379   18.398  433.170   26.880 21.20892 32.57363 
1 1 1  -29    6   19 o  274.606   14.614  1373.97  135.738  1510.56  231.928  1302.82  167.402  282.944   23.192  266.267   17.788 16.67697 29.22780 
1 1 1  -29    6   21 o  336.534   12.371  2083.02  146.980  2224.75  211.771  1951.29  204.160  347.770   17.229  325.298   17.757 22.47116 24.74146 
1 1 1  -29    6   23 o  234.473   24.307  1060.16  201.436   0.0000   0.0000  1060.16  201.436  ?   ?   234.473   24.307      ?      ? 
1 1 1  -29    6   25 o  163.372   14.561  447.703   76.679  666.271  150.990  371.742   89.012  185.642   23.012  141.102   17.848 44.53996 29.12220 
1 1 1  -29    6   27 o  339.721   15.928  2216.52  178.020  2352.67  317.135  2153.88  215.107  341.419   26.281  338.024   18.005 3.394745 31.85664 
1 1 1  -29    6   29 o   92.344   31.767  189.596  125.451  189.596  125.451   0.0000   0.0000   92.344   31.767  ?   ?       ?      ? 
1 1 1  -29    7    2 o   61.789   14.639   67.937   37.800   77.318   53.745   58.755   53.174   64.730   20.749   58.848   20.657 5.882076 29.27792 
1 1 1  -29    7    4 o   69.951   15.235   90.472   46.583  141.036   60.575   17.295   72.872   85.599   20.325   54.302   22.701 31.29722 30.47060 
1 1 1  -29    7    6 o  174.993   12.614  570.273   76.639  483.422  113.014  644.217  104.279  161.740   19.769  188.245   15.673 -26.50497 25.22846 
1 1 1  -29    7    8 o  126.462   13.559  304.659   57.466  236.607   83.374  366.251   79.317  110.977   22.033  141.947   15.810 -30.96996 27.11805 
1 1 1  -29    7   10 o   71.018   14.955   95.239   40.604   81.558   57.907  108.473   56.951   66.733   21.552   75.302   20.739 -8.568893 29.90967 
1 1 1  -29    7   12 o  144.911   11.852  382.543   60.660  402.989   87.501  363.625   84.168  148.663   16.653  141.158   16.870 7.504410 23.70486 
1 1 1  -29    7   14 f  303.695   12.247  1686.26  131.414  1740.68  188.713  1635.01  183.109  308.455   17.310  298.934   17.331 9.521606 24.49444 
1 1 1  -29    7   16 o  382.882   13.067  2698.36  176.738  2822.21  252.313  2579.06  247.643  391.716   18.224  374.048   18.732 17.66821 26.13423 
1 1 1  -29    7   18 o  374.292   26.496  2702.83  350.517   0.0000   0.0000  2702.83  350.517  ?   ?   374.292   26.496      ?      ? 
1 1 1  -29    7   20 o  347.863   15.760  2247.27  179.164  2402.66  324.675  2179.23  214.835  352.111   26.089  343.615   17.689 8.495667 31.52025 
1 1 1  -29    7   22 o   99.264   19.575  190.053   66.238   0.0000   0.0000  190.053   66.238  ?   ?    99.264   19.575      ?      ? 
1 1 1  -29    7   24 o  279.068   15.790  1488.23  142.689  1526.10  259.254  1471.78  170.903  276.924   26.488  281.212   17.195 -4.288605 31.57942 
1 1 1  -29    7   26 o  153.997   19.420  497.925   85.471  467.624  175.856  507.296   97.799  143.290   35.019  164.703   16.800 -21.41257 38.84079 
1 1 1  -29    7   28 o  416.384   16.941  3408.78  233.220  3697.20  412.840  3273.59  282.639  420.423   27.783  412.345   19.393 8.078339 33.88189 
1 1 1  -29    8    1 o  135.760   22.248  362.205   84.286  405.389  205.799  353.501   92.390  133.663   40.253  137.857   18.962 -4.193359 44.49555 
1 1 1  -29    8    3 o  209.699   11.494  802.483   85.015  845.818  125.184  765.387  115.821  214.832   16.487  204.567   16.019 10.26527 22.98717 
1 1 1  -29    8    5 o  186.229   12.823  648.808   82.864  564.729  123.861  716.930  111.489  174.263   20.110  198.195   15.915 -23.93262 25.64578 
1 1 1  -29    8    7 o  235.778   12.684  1026.64  104.951  973.458  155.292  1071.36  142.392  229.497   19.145  242.060   16.643 -12.56369 25.36788 
1 1 1  -29    8    9 o  117.374   15.768  278.064   60.960  205.145   97.758  324.459   77.978  101.481   26.842  133.267   16.555 -31.78580 31.53669 
1 1 1  -29    8   11 o  119.493   13.880  266.918   56.126  345.253   82.656  199.895   76.455  137.337   17.028  101.649   21.925 35.68775 27.76084 
1 1 1  -29    8   13 o  152.500   18.503  447.720   83.612  460.785  167.305  443.371   96.531  149.597   32.566  155.403   17.575 -5.805923 37.00556 
1 1 1  -29    8   15 o   70.520   19.397   71.671   69.586   19.062  121.283   97.487   84.961   67.007   28.701   74.033   26.100 -7.025970 38.79368 
1 1 1  -29    8   17 o  352.059   16.811  2393.57  191.209  2266.18  341.553  2451.71  230.758  339.630   28.453  364.488   17.912 -24.85742 33.62200 
1 1 1  -29    8   19 f  226.733   18.504  991.571  147.357  1087.16  224.231  918.912  195.499  235.647   26.922  217.820   25.394 17.82690 37.00887 
1 1 1  -29    8   21 o   71.769   17.664   98.897   51.495   19.904  123.770  115.433   56.629   66.701   28.787   76.838   20.480 -10.13690 35.32858 
1 1 1  -29    8   23 o  132.913   20.306  357.860   90.533  425.968  147.998  317.135  114.442  141.710   30.455  124.116   26.867 17.59325 40.61225 
1 1 1  -29    8   25 o  105.243   19.367  253.944   66.994  161.224  155.872  274.953   74.196   89.520   34.629  120.965   17.354 -31.44556 38.73374 
1 1 1  -29    8   27 o  197.262   18.741  832.916  107.991  730.017  204.928  872.476  127.066  179.421   33.549  215.103   16.713 -35.68127 37.48128 
1 1 1  -29    9    2 f   49.481   16.946 -51.7007   41.429 -13.6189  151.414 -54.7823   43.072   68.766   30.673   30.195   14.418 38.57188 33.89275 
1 1 1  -29    9    4 o  179.727   12.130  596.790   76.697  579.477  112.956  611.599  104.472  176.897   18.066  182.556   16.191 -5.659058 24.26002 
1 1 1  -29    9    6 o  192.880   20.031  688.846  127.445  1059.62  209.183  469.978  160.717  234.613   25.226  151.147   31.121 83.46510 40.06108 
1 1 1  -29    9    8 o  189.720   19.540  720.311  104.058  681.282  216.082  732.095  118.733  179.737   35.274  199.704   16.821 -19.96745 39.07950 
1 1 1  -29    9   10 o   86.424   21.611  145.533   65.839   0.0000   0.0000  145.533   65.839  ?   ?    86.424   21.611      ?      ? 
1 1 1  -29    9   12 o  194.310   17.813  703.711  104.188  767.903  214.896  683.986  119.125  195.893   31.038  192.727   17.488 3.166870 35.62534 
1 1 1  -29    9   14 o   96.868   20.877   96.108   50.808  375.760  174.135   70.086   53.119  131.555   36.277   62.182   20.674 69.37326 41.75471 
1 1 1  -29    9   16 o   92.869   20.411  140.754   54.404  228.530  156.018  128.603   58.048  104.404   35.435   81.334   20.266 23.07024 40.82105 
1 1 1  -29    9   18 o  170.756   19.731  602.219   94.429  546.917  195.486  619.051  107.846  158.350   35.772  183.161   16.659 -24.81038 39.46104 
1 1 1  -29    9   20 o  209.212   16.930  812.156  125.190   0.0000   0.0000  812.156  125.190  ?   ?   209.212   16.930      ?      ? 
1 1 1  -29    9   22 o  180.685   18.527  621.715  114.892  799.484  192.821  523.857  143.062  198.679   27.459  162.692   24.879 35.98672 37.05354 
1 1 1  -29    9   24 o   96.836   18.154  223.125   64.054   81.635  143.732  258.189   71.552   76.541   31.930  117.131   17.283 -40.59026 36.30799 
1 1 1  -29    9   26 o  281.490   16.895  1579.48  149.963  1626.15  282.492  1561.17  176.955  276.295   28.928  286.685   17.464 -10.39053 33.79042 
1 1 1  -29   10    1 o   73.413   19.127   73.020   83.663 -251.1169  170.173  176.339   96.076   54.535   26.654   92.292   27.438 -37.75758 38.25307 
1 1 1  -29   10    3 o   68.345   18.159   72.277   67.963 -235.0036  170.912  129.993   74.071   55.844   27.166   80.846   24.105 -25.00178 36.31819 
1 1 1  -29   10    5 o  147.212   19.334  293.148   70.790  696.769  208.283  240.434   75.271  180.967   33.807  113.457   18.771 67.51023 38.66824 
1 1 1  -29   10    7 o  128.090   20.722  286.033   72.390  421.461  183.461  261.059   78.783  137.860   36.915  118.320   18.839 19.54067 41.44445 
1 1 1  -29   10    9 o  255.166   15.031  1099.01  120.657  1540.59  246.222  959.461  138.415  282.412   24.667  227.920   17.182 54.49188 30.06182 
1 1 1  -29   10   11 o   65.135   20.024   25.603   43.283   80.581  182.171   22.313   44.560   84.482   35.638   45.787   18.270 38.69448 40.04878 
1 1 1  -29   10   13 o  215.936   18.373  900.753  113.253  924.210  245.866  894.436  127.595  211.480   32.893  220.393   16.380 -8.912888 36.74628 
1 1 1  -29   10   15 o   57.915   18.999 -16.6290   34.454   94.157  174.356 -21.1308   35.147   84.544   35.210   31.287   14.285 53.25686 37.99746 
1 1 1  -29   10   17 o  100.190   19.980  226.310   69.213   99.763  177.082  249.128   75.195   85.006   35.450  115.375   18.440 -30.36923 39.95925 
1 1 1  -29   10   19 o  128.967   21.472  300.121   73.221  438.617  196.065  277.675   78.932  136.375   38.817  121.559   18.371 14.81564 42.94460 
1 1 1  -29   10   21 o   87.928   25.462  159.664   83.682   0.0000   0.0000  159.664   83.682  ?   ?    87.928   25.462      ?      ? 
1 1 1  -29   10   23 o  199.460   17.508  766.350  104.174  868.473  217.808  736.060  118.622  201.223   30.625  197.697   16.976 3.525513 35.01553 
1 1 1  -29   10   25 o  225.662   15.029  917.766  107.714  1215.47  213.620  816.269  124.731  243.905   24.780  207.419   17.014 36.48605 30.05866 
1 1 1  -29   11    2 o  108.698   21.775  283.341  107.464   14.172  187.831  414.326  131.028   75.988   34.009  141.408   27.204 -65.41952 43.55096 
1 1 1  -29   11    4 o   53.642   20.120   44.402   51.603   0.0000   0.0000   44.402   51.603  ?   ?    53.642   20.120      ?      ? 
1 1 1  -29   11    6 o   68.693   20.559   47.996   49.423   71.769  191.838   46.306   51.149   83.223   35.878   54.164   20.087 29.05840 41.11853 
1 1 1  -29   11    8 o   95.358   21.550  205.278   85.955   48.025  184.606  248.806   97.125   80.021   34.845  110.694   25.368 -30.67313 43.10082 
1 1 1  -29   11   10 o   93.636   22.670  137.890   59.894  255.278  201.192  126.475   62.738  107.307   39.830   79.965   21.661 27.34180 45.33945 
1 1 1  -29   11   12 o  126.656   20.415  250.988   68.144  492.910  182.628  211.859   73.448  149.203   35.200  104.109   20.690 45.09348 40.83052 
1 1 1  -29   11   14 o  218.140   17.291  888.039  112.347  1020.39  237.356  849.826  127.539  222.483   30.184  213.796   16.878 8.686508 34.58273 
1 1 1  -29   11   16 o  193.197   21.252  762.851  108.069  793.957  247.094  755.494  120.172  185.066   39.006  201.328   16.888 -16.26195 42.50477 
1 1 1  -29   11   18 o  138.237   22.108  461.653   90.220  318.358  206.269  495.553  100.326  114.008   40.617  162.466   17.472 -48.45799 44.21524 
1 1 1  -29   11   20 o   86.358   21.121  149.869   63.932   0.0000   0.0000  149.869   63.932  ?   ?    86.358   21.121      ?      ? 
1 1 1  -29   11   22 o  310.873   16.262  1874.07  162.155  2055.17  303.123  1801.47  191.926  313.844   27.327  307.902   17.636 5.941681 32.52339 
1 1 1  -29   11   24 o  197.760   35.798  931.683  241.003  931.683  241.003   0.0000   0.0000  197.760   35.798  ?   ?       ?      ? 
1 1 1  -29   12    1 o  128.870   20.400  305.923   74.271  456.758  177.099  273.733   81.813  138.492   35.888  119.248   19.411 19.24371 40.80092 
1 1 1  -29   12    3 o  155.589   22.428  520.432  118.029  631.307  184.215  443.219  153.728  169.496   31.921  141.681   31.513 27.81493 44.85563 
1 1 1  -29   12    5 o  133.797   19.476  333.439   75.553  451.458  167.919  303.482   84.600  141.267   34.034  126.326   18.948 14.94035 38.95281 
1 1 1  -29   12    7 o   99.806   22.663  132.882   57.179  385.540  199.024  110.152   59.695  125.209   39.906   74.404   21.494 50.80408 45.32598 
1 1 1  -29   12    9 o  300.012   15.444  1595.66  147.806  2115.00  291.438  1415.82  171.498  325.502   25.332  274.521   17.675 50.98087 30.88898 
1 1 1  -29   12   11 o   71.066   20.317   54.397   46.583  144.791  170.422   47.098   48.427   88.566   35.593   53.566   19.600 34.99952 40.63308 
1 1 1  -29   12   13 o   94.218   20.992   94.898   49.845  381.475  173.983   69.273   52.025  127.449   36.659   60.988   20.463 66.46114 41.98344 
1 1 1  -29   12   15 o   84.413   20.235  148.763   61.179   62.277  183.085  159.634   64.910   79.448   34.645   89.379   20.918 -9.931442 40.46998 
1 1 1  -29   12   17 f  161.241   23.054  570.245   94.616  578.477  238.249  568.703  103.094  148.516   42.951  173.966   16.767 -25.44972 46.10719 
1 1 1  -29   12   19 o  199.333   16.821  749.949  118.512   0.0000   0.0000  749.949  118.512  ?   ?   199.333   16.821      ?      ? 
1 1 1  -29   12   21 o  119.838   26.044  334.972  109.324  426.151  224.222  306.537  125.216  123.146   42.463  116.531   30.166 6.615555 52.08763 
1 1 1  -29   13    2 o   48.964   19.332   31.834   49.403   0.0000   0.0000   31.834   49.403  ?   ?    48.964   19.332      ?      ? 
1 1 1  -29   13    4 o   84.889   22.339  149.923   87.213  161.785  145.755  143.307  108.849   87.223   33.557   82.554   29.495 4.669136 44.67713 
1 1 1  -29   13    6 o  185.313   16.723  649.460   95.428  771.623  193.379  610.134  109.717  191.109   28.629  179.517   17.292 11.59114 33.44625 
1 1 1  -29   13    8 o  181.706   17.154  600.089   89.272  783.414  203.965  556.649   99.287  191.201   30.182  172.212   16.312 18.98900 34.30793 
1 1 1  -29   13   10 o   88.842   19.218  186.555   64.312   29.558  174.772  211.143   69.165   74.231   33.044  103.453   19.634 -29.22238 38.43682 
1 1 1  -29   13   12 o   69.335   19.487   67.787   46.961   95.925  160.531   65.154   49.110   79.667   33.523   59.002   19.881 20.66452 38.97493 
1 1 1  -29   13   14 o   53.428   16.337   29.819   43.241 -363.7982  197.542   49.629   44.316   53.692   26.696   53.163   18.839 0.5287590 32.67353 
1 1 1  -29   13   16 o  102.633   23.609  181.716   89.889  429.353  184.633  104.786  102.909  130.878   37.799   74.388   28.297 56.49047 47.21702 
1 1 1  -29   13   18 o  164.675   27.135  572.137  157.933   0.0000   0.0000  572.137  157.933  ?   ?   164.675   27.135      ?      ? 
1 1 1  -29   14    7 o  201.356   17.173  773.340  122.215   0.0000   0.0000  773.340  122.215  ?   ?   201.356   17.173      ?      ? 
1 1 1  -29   14    9 o   66.033   20.538   86.976   53.025   0.0000   0.0000   86.976   53.025  ?   ?    66.033   20.538      ?      ? 
1 1 1  -29   14   11 o   88.813   23.025  179.245   93.665  137.288  171.905  196.962  111.703   84.252   35.014   93.374   29.910 -9.121399 46.05045 
1 1 1  -28    0    2 o  122.470   21.965  318.885  116.263  318.885  116.263  318.885  116.263  122.470   31.063  122.470   31.063 -0.000000 0.000000 
1 1 1  -28    0    4 o   53.612   20.207   75.703   73.543   75.703   73.543   75.703   73.543   53.612   28.577   53.612   28.577 -0.000000 0.000000 
1 1 1  -28    0    6 o   49.910   16.968   65.952   48.952   65.952   48.952   65.952   48.952   49.910   23.997   49.910   23.997 -0.000000 0.000000 
1 1 1  -28    0    8 o  482.853   13.469  4195.04  323.925  4195.04  323.925  4195.04  323.925  482.853   19.048  482.853   19.048 -0.000000 0.000000 
1 1 1  -28    0   10 o  122.618   13.926  288.722   78.748  288.722   78.748  288.722   78.748  122.618   19.694  122.618   19.694 -0.000000 0.000000 
1 1 1  -28    0   12 o  304.589   12.032  1672.45  181.870  1672.45  181.870  1672.45  181.870  304.589   17.015  304.589   17.015 -0.000000 0.000000 
1 1 1  -28    0   14 o  378.860   12.558  2583.69  236.614  2583.69  236.614  2583.69  236.614  378.860   17.759  378.860   17.759 -0.000000 0.000000 
1 1 1  -28    0   16 o  114.360   13.968  253.798   72.699  253.798   72.699  253.798   72.699  114.360   19.754  114.360   19.754 -0.000000 0.000000 
1 1 1  -28    0   18 o  107.574   15.508  231.440   73.764  231.440   73.764  231.440   73.764  107.574   21.932  107.574   21.932 -0.000000 0.000000 
1 1 1  -28    0   20 o  498.618   13.896  4488.78  345.120  4488.78  345.120  4488.78  345.120  498.618   19.652  498.618   19.652 -0.000000 0.000000 
1 1 1  -28    0   22 o  621.608   15.177  7002.14  470.277  7002.14  470.277  7002.14  470.277  621.608   21.463  621.608   21.463 -0.000000 0.000000 
1 1 1  -28    0   24 o  303.724   12.276  1671.52  184.982  1671.52  184.982  1671.52  184.982  303.724   17.362  303.724   17.362 -0.000000 0.000000 
1 1 1  -28    0   28 o   60.850   17.187   93.026   50.650   93.026   50.650   93.026   50.650   60.850   24.306   60.850   24.306 -0.000000 0.000000 
1 1 1  -28    0   30 o  282.020   17.722  1508.96  245.282  1508.96  245.282  1508.96  245.282  282.020   25.063  282.020   25.063 -0.000000 0.000000 
1 1 1  -28    0   32 o  553.316   14.844  5673.60  409.202  5673.60  409.202  5673.60  409.202  553.316   20.993  553.316   20.993 -0.000000 0.000000 
1 1 1  -28    0   34 o  490.664   14.073  4481.08  343.867  4481.08  343.867  4481.08  343.867  490.664   19.903  490.664   19.903 -0.000000 0.000000 
1 1 1  -28    1    1 o  164.611   14.353  488.513   79.439  473.392   97.660  518.082  136.571  161.700   17.088  167.523   23.066 -5.822281 28.70562 
1 1 1  -28    1    3 f   47.974   13.178   22.169   33.956   48.801   45.616 -10.9267   50.851   54.656   19.135   41.291   18.125 13.36477 26.35674 
1 1 1  -28    1    5 o  180.855   11.973  592.795   76.163  656.138  107.412  528.741  108.013  190.831   15.925  170.879   17.884 19.95204 23.94687 
1 1 1  -28    1    7 o  213.993   11.823  827.639   89.244  772.685  126.697  881.757  125.728  206.766   17.337  221.221   16.080 -14.45543 23.64590 
1 1 1  -28    1    9 o  334.687   15.391  2095.93  169.774  1911.36  291.418  2190.76  208.883  321.025   25.684  348.349   16.966 -27.32382 30.78124 
1 1 1  -28    1   11 o  119.854   15.878  286.831   61.579  209.866  102.033  330.925   77.229  104.184   27.358  135.523   16.123 -31.33976 31.75586 
1 1 1  -28    1   13 o  141.028   12.462  360.740   61.938  334.950   88.504  385.495   86.711  135.924   18.422  146.132   16.788 -10.20833 24.92459 
1 1 1  -28    1   15 o  291.849   14.705  1573.95  142.180  1502.39  244.988  1610.30  174.591  285.027   24.319  298.670   16.539 -13.64310 29.40968 
1 1 1  -28    1   17 o  129.507   12.445  303.792   56.946  315.066   81.462  293.018   79.637  131.878   17.477  127.136   17.723 4.742012 24.89027 
1 1 1  -28    1   19 o   41.840   11.580   3.6702   27.780   46.511   41.060 -32.4926   37.725   52.771   18.173   30.909   14.358 21.86182 23.15997 
1 1 1  -28    1   21 o  186.842   12.256  635.619   80.680  584.234  114.840  685.697  113.372  179.127   18.139  194.557   16.487 -15.43057 24.51202 
1 1 1  -28    1   23 o  711.696   21.796  9853.59  511.682  9973.55  626.289  9612.78  887.372  730.002   24.273  693.390   36.208 36.61182 43.59169 
1 1 1  -28    1   25 o  143.718   13.909  367.131   68.048  431.897  116.027  333.173   84.014  152.442   21.534  134.994   17.608 17.44803 27.81703 
1 1 1  -28    1   27 o   66.329   15.711   74.816   40.622   95.116   74.241   66.141   48.532   72.217   24.444   60.441   19.746 11.77655 31.42286 
1 1 1  -28    1   29 o  140.554   14.403  357.633   67.912  330.399   82.603  414.436  119.296  133.687   17.482  147.421   22.895 -13.73427 28.80652 
1 1 1  -28    1   31 o  106.781   12.015  212.184   45.340  208.606   63.600  215.881   64.654  105.864   16.998  107.698   16.985 -1.834145 24.02938 
1 1 1  -28    1   33 o  298.287   12.248  1678.57  129.098  1638.64  182.593  1718.48  182.550  294.498   17.542  302.076   17.098 -7.577271 24.49624 
1 1 1  -28    2    2 o  210.445   11.997  804.956   88.773  725.207  127.052  881.029  124.089  199.912   17.981  220.978   15.888 -21.06670 23.99481 
1 1 1  -28    2    4 o  266.254   11.752  1280.36  110.538  1333.40  157.026  1228.26  155.630  271.814   16.345  260.693   16.891 11.12097 23.50416 
1 1 1  -28    2    6 o  231.964   12.046  973.049   98.588  1038.94  139.605  907.496  139.245  239.973   16.460  223.954   17.591 16.01938 24.09101 
1 1 1  -28    2    8 o  194.529   11.838  683.395   81.266  729.470  115.347  637.986  114.512  201.167   16.223  187.892   17.243 13.27570 23.67525 
1 1 1  -28    2   10 o  122.416   16.648  296.843   64.908  325.164   79.004  238.021  113.856  134.242   16.651  110.589   28.832 23.65301 33.29506 
1 1 1  -28    2   12 o  154.570   11.935  431.278   65.153  408.986   91.272  454.439   93.034  150.443   17.165  158.698   16.586 -8.255569 23.86934 
1 1 1  -28    2   14 o   79.577   14.278  117.594   43.489   52.081   60.837  186.057   62.192   59.303   21.924   99.852   18.296 -40.54862 28.55563 
1 1 1  -28    2   16 o  281.907   14.408  1439.48  136.063  1491.20  234.420  1413.21  167.088  284.260   23.332  279.554   16.911 4.706055 28.81616 
1 1 1  -28    2   18 o  291.314   11.711  1535.65  120.388  1642.30  170.910  1430.63  169.607  301.567   16.035  281.061   17.073 20.50613 23.42257 
1 1 1  -28    2   20 o  439.439   12.856  3514.27  199.677  3531.86  282.695  3496.76  282.078  440.554   18.155  438.323   18.208 2.231506 25.71242 
1 1 1  -28    2   22 o  189.664   11.770  652.836   78.902  655.842  111.445  649.814  111.725  190.120   16.585  189.208   16.707 0.9120636 23.54085 
1 1 1  -28    2   24 o  339.440   15.086  2100.05  172.082  2251.12  296.595  2023.39  211.279  346.201   24.239  332.680   17.968 13.52054 30.17269 
1 1 1  -28    2   26 o  171.925   14.810  564.323   83.615  594.222  102.928  506.299  143.385  180.559   16.129  163.291   24.844 17.26807 29.62021 
1 1 1  -28    2   28 o  119.753   11.806  264.442   49.714  237.952   70.982  289.947   69.650  113.567   17.684  125.939   15.647 -12.37243 23.61268 
1 1 1  -28    2   30 o  240.356   11.746  1069.23   99.614  1146.77  141.632  993.324  140.130  249.328   16.072  231.384   17.135 17.94330 23.49273 
1 1 1  -28    2   32 o  260.792   12.039  1278.24  110.024  1470.78  156.474  1089.95  154.735  281.364   15.735  240.221   18.225 41.14308 24.07720 
1 1 1  -28    2   34 o  234.908   11.901  1044.63   98.671  1111.75  140.301  978.939  138.795  242.817   16.348  227.000   17.299 15.81667 23.80165 
1 1 1  -28    3    1 o  234.555   12.400  998.432  102.709  990.075  147.919  1006.21  142.726  233.471   17.925  235.640   17.137 -2.169418 24.79913 
1 1 1  -28    3    3 o  175.498   12.272  559.054   75.927  535.669  109.778  580.500  105.128  171.790   18.080  179.206   16.598 -7.416443 24.54304 
1 1 1  -28    3    5 o  290.507   11.810  1528.49  120.927  1420.10  172.682  1632.80  169.397  280.087   17.444  300.927   15.927 -20.83954 23.62065 
1 1 1  -28    3    7 o  152.288   12.639  423.009   67.507  384.443   98.536  457.121   92.671  145.421   19.171  159.154   16.474 -13.73279 25.27709 
1 1 1  -28    3    9 o   78.109   14.156  112.893   42.398   50.754   59.272  178.002   60.672   58.579   21.644   97.640   18.252 -39.06073 28.31226 
1 1 1  -28    3   11 o  289.004   12.093  1509.68  123.511  1491.92  175.197  1527.24  174.151  287.255   17.256  290.752   16.947 -3.497009 24.18578 
1 1 1  -28    3   13 f  281.877   12.094  1436.98  120.389  1508.70  170.780  1366.13  169.737  289.012   16.719  274.741   17.480 14.27112 24.18781 
1 1 1  -28    3   15 o  202.308   11.615  740.286   82.903  695.162  117.830  784.521  116.663  196.038   17.006  208.579   15.825 -12.54102 23.22991 
1 1 1  -28    3   17 o  241.834   11.602  1057.00   99.124  1097.62  140.985  1017.30  139.394  246.501   16.182  237.166   16.629 9.334656 23.20323 
1 1 1  -28    3   19 o  275.220   14.632  1399.45  133.963  1358.58  229.985  1420.43  164.808  270.372   24.067  280.068   16.649 -9.695740 29.26444 
1 1 1  -28    3   21 o  244.517   11.633  1083.84  100.522  1086.50  143.299  1081.26  141.046  244.770   16.564  244.264   16.337 0.5066833 23.26532 
1 1 1  -28    3   23 o  145.182   13.889  372.945   68.879  444.452  116.649  334.666   85.347  154.973   21.296  135.391   17.835 19.58189 27.77810 
1 1 1  -28    3   25 o  523.766   21.668  5388.36  399.253  5912.31  563.550  4860.37  565.716  552.287   28.870  495.246   32.319 57.04144 43.33582 
1 1 1  -28    3   27 f  316.514   16.130  1969.99  165.399  2125.33  203.383  1666.61  284.223  340.348   16.907  292.679   27.476 47.66949 32.26090 
1 1 1  -28    3   29 o  361.645   12.709  2431.34  162.203  2588.52  230.038  2275.92  228.748  373.821   17.411  349.469   18.519 24.35211 25.41853 
1 1 1  -28    3   31 o  214.718   11.819  859.307   89.552  917.455  127.104  801.992  126.192  222.284   16.178  207.153   17.235 15.13089 23.63880 
1 1 1  -28    3   33 o  123.878   17.592  338.981   68.172  255.690  124.890  374.331   81.362  106.548   31.179  141.207   16.302 -34.65944 35.18351 
1 1 1  -28    4    2 o   63.087   15.182   68.176   40.609   77.518   58.226   59.329   56.666   65.928   21.632   60.246   21.307 5.681793 30.36368 
1 1 1  -28    4    4 o   62.350   14.724   67.543   39.186   41.363   59.427   87.684   52.124   56.090   21.463   68.611   20.161 -12.52032 29.44723 
1 1 1  -28    4    6 o  193.562   11.949  676.436   81.670  718.004  117.980  638.189  113.168  199.302   16.748  187.823   17.047 11.47926 23.89820 
1 1 1  -28    4    8 o  208.235   11.818  791.316   85.978  673.146  123.750  901.588  119.542  192.637   18.175  223.833   15.110 -31.19620 23.63625 
1 1 1  -28    4   10 o  176.676   11.860  563.178   73.998  584.380  107.410  544.024  102.090  179.807   16.901  173.546   16.644 6.261032 23.72050 
1 1 1  -28    4   12 o  501.889   13.574  4584.44  240.640  4789.29  341.634  4382.73  339.013  513.291   18.831  490.487   19.556 22.80432 27.14832 
1 1 1  -28    4   14 o  261.776   11.713  1237.58  108.323  1288.64  155.357  1189.27  151.114  267.064   16.459  256.488   16.669 10.57626 23.42552 
1 1 1  -28    4   16 o  397.740   12.478  2871.31  175.298  2767.94  248.574  2973.57  247.249  390.398   18.015  405.082   17.269 -14.68396 24.95507 
1 1 1  -28    4   18 o  357.473   12.466  2320.80  157.495  2355.40  223.486  2286.67  221.984  360.159   17.556  354.786   17.702 5.373260 24.93201 
1 1 1  -28    4   20 o  101.767   17.351  178.831   55.675  254.980  111.111  153.302   64.334  113.888   27.838   89.645   20.720 24.24289 34.70228 
1 1 1  -28    4   22 o   50.089   13.027   36.918   30.463   28.756   42.701   45.378   43.472   47.362   18.177   52.816   18.665 -5.454254 26.05310 
1 1 1  -28    4   24 f  364.860   18.420  2537.16  237.041  2700.12  334.068  2371.92  336.396  377.683   25.026  352.038   27.036 25.64502 36.84062 
1 1 1  -28    4   26 o  145.545   12.125  388.259   62.348  399.596   89.782  377.699   86.647  147.575   17.213  143.515   17.082 4.060226 24.25028 
1 1 1  -28    4   28 o  170.165   26.499  566.145  159.376  566.145  159.376   0.0000   0.0000  170.165   26.499  ?   ?       ?      ? 
1 1 1  -28    4   30 o  420.779   15.723  3281.77  221.730  3841.83  390.415  3015.11  269.393  441.608   25.013  399.949   19.057 41.65939 31.44586 
1 1 1  -28    4   32 f   75.302   18.292  110.345   56.499  116.987   98.877  107.126   68.844   77.356   28.052   73.249   23.483 4.107727 36.58365 
1 1 1  -28    4   34 o  104.373   20.212  243.941   76.194  233.738  120.511  250.735   98.346  100.755   30.900  107.990   26.064 -7.234497 40.42490 
1 1 1  -28    5    1 o  150.181   12.490  410.542   66.073  452.321   94.042  369.814   92.852  157.926   16.848  142.437   18.444 15.48898 24.98059 
1 1 1  -28    5    3 o  154.568   12.749  437.242   69.122  387.496   99.534  483.582   96.065  145.696   19.329  163.439   16.630 -17.74300 25.49808 
1 1 1  -28    5    5 o  222.374   11.605  894.588   91.145  868.926  130.019  919.384  127.806  219.121   16.788  225.628   16.027 -6.507599 23.20972 
1 1 1  -28    5    7 o  232.104   11.926  974.885   97.741  970.459  141.220  978.955  135.417  231.471   17.262  232.738   16.462 -1.267166 23.85293 
1 1 1  -28    5    9 o  176.604   12.060  566.521   74.965  533.839  108.957  595.897  103.300  171.520   17.973  181.688   16.086 -10.16791 24.12051 
1 1 1  -28    5   11 o  201.840   14.851  819.903   94.196  546.249  157.394  972.615  117.577  171.053   26.034  232.627   14.300 -61.57382 29.70284 
1 1 1  -28    5   13 o  556.644   13.885  5655.11  273.132  5562.52  387.709  5746.33  384.840  551.905   19.876  561.382   19.396 -9.477478 27.77099 
1 1 1  -28    5   15 o  568.542   14.306  5915.29  287.395  6102.86  407.908  5730.40  404.983  577.737   19.976  559.347   20.485 18.38989 28.61256 
1 1 1  -28    5   17 o  120.672   13.333  266.129   56.639  258.828   83.188  272.439   77.332  118.935   19.789  122.408   17.874 -3.472794 26.66647 
1 1 1  -28    5   19 o  227.794   12.062  941.672   97.031  997.176  139.249  889.286  135.283  234.403   16.808  221.185   17.305 13.21785 24.12371 
1 1 1  -28    5   21 o  296.182   11.788  1596.98  123.188  1519.27  176.171  1671.34  172.322  288.826   17.258  303.539   16.062 -14.71274 23.57578 
1 1 1  -28    5   23 o  532.290   21.592  5542.77  404.615  6047.12  571.594  5036.22  572.833  559.216   28.919  505.364   32.070 53.85269 43.18370 
1 1 1  -28    5   25 o   67.027   13.672   85.232   34.179   84.105   48.460   86.347   48.213   66.635   19.400   67.418   19.269 -0.7827225 27.34303 
1 1 1  -28    5   27 o  110.679   16.969  225.655   66.380   0.0000   0.0000  225.655   66.380  ?   ?   110.679   16.969      ?      ? 
1 1 1  -28    5   29 f  280.338   15.314  1489.36  140.127  1540.65  251.999  1466.41  168.595  279.668   25.494  281.008   16.975 -1.339630 30.62815 
1 1 1  -28    5   31 o  196.288   13.601  661.831   87.279  941.462  166.376  555.659  102.518  220.372   21.361  172.204   16.844 48.16783 27.20268 
1 1 1  -28    5   33 o   65.571   17.359   66.829   41.087   98.076  112.272   61.997   44.149   73.955   29.161   57.188   18.840 16.76729 34.71754 
1 1 1  -28    6    2 f  104.157   15.922  198.968   56.309  266.954   90.003  155.241   72.181  118.448   22.317   89.866   22.714 28.58156 31.84317 
1 1 1  -28    6    4 o  193.509   12.074  682.399   82.109  608.882  117.244  753.161  115.027  182.913   18.135  204.105   15.945 -21.19171 24.14825 
1 1 1  -28    6    6 o   73.096   15.620  100.031   43.596   92.916   67.184  105.205   57.298   71.568   23.225   74.623   20.895 -3.054794 31.24088 
1 1 1  -28    6    8 o  162.695   11.815  478.686   67.909  494.737   97.820  463.755   94.349  165.318   16.741  160.073   16.676 5.245331 23.62984 
1 1 1  -28    6   10 o  151.247   12.000  413.894   64.110  433.868   92.294  395.270   89.119  154.791   16.870  147.703   17.071 7.088394 24.00018 
1 1 1  -28    6   12 o  444.750   13.037  3602.14  204.749  3462.28  291.107  3739.07  288.035  435.875   18.896  453.624   17.965 -17.74847 26.07302 
1 1 1  -28    6   14 o   59.858   14.353   61.257   36.387   51.200   51.219   71.506   51.703   56.620   20.232   63.096   20.364 -6.475918 28.70598 
1 1 1  -28    6   16 o  336.251   12.142  2052.84  144.259  2043.28  206.311  2061.98  201.789  335.363   17.406  337.139   16.934 -1.775940 24.28424 
1 1 1  -28    6   18 o   84.546   15.758  138.848   48.784  101.060   71.621  171.554   66.631   74.159   23.971   94.934   20.461 -20.77443 31.51582 
1 1 1  -28    6   20 o  410.981   12.828  3085.38  186.274  3199.39  266.576  2976.60  260.395  418.485   18.023  403.477   18.260 15.00760 25.65611 
1 1 1  -28    6   22 o  192.761   16.877  677.834  114.983   0.0000   0.0000  677.834  114.983  ?   ?   192.761   16.877      ?      ? 
1 1 1  -28    6   24 o  315.733   17.760  1898.31  197.935  2034.52  286.784  1774.41  273.530  326.791   24.829  304.674   25.401 22.11682 35.52043 
1 1 1  -28    6   26 o  263.259   14.993  1273.98  129.251  1389.73  234.643  1223.56  154.864  268.752   24.702  257.766   16.998 10.98550 29.98563 
1 1 1  -28    6   28 f   97.128   20.265  200.829   74.777  158.093  124.263  225.090   93.626   89.003   31.545  105.253   25.448 -16.24952 40.53006 
1 1 1  -28    6   30 o  285.181   15.657  1570.15  144.934  1612.13  261.983  1551.63  173.984  282.620   26.227  287.742   17.107 -5.121399 31.31327 
1 1 1  -28    6   32 o  157.406   15.328  452.888   75.644  572.216  151.650  413.364   87.277  166.865   25.713  147.947   16.691 18.91795 30.65524 
1 1 1  -28    7    1 o  239.461   12.489  1058.34  104.317  927.664  153.542  1170.36  142.166  224.833   19.322  254.088   15.830 -29.25478 24.97867 
1 1 1  -28    7    3 o   91.242   14.822  162.238   48.399  108.087   72.638  205.472   64.906   76.196   24.089  106.288   17.277 -30.09256 29.64468 
1 1 1  -28    7    5 o  305.459   11.584  1688.04  124.932  1801.28  180.280  1583.42  173.288  315.396   16.172  295.522   16.590 19.87402 23.16864 
1 1 1  -28    7    7 o  221.329   11.754  888.701   91.831  861.774  131.842  914.075  127.981  217.903   17.119  224.755   16.111 -6.852982 23.50761 
1 1 1  -28    7    9 o  272.936   12.156  1353.51  117.126  1298.32  167.187  1406.70  164.137  267.250   17.700  278.621   16.668 -11.37036 24.31221 
1 1 1  -28    7   11 o   91.048   14.504  157.615   45.574  169.011   65.173  146.710   63.752   94.390   20.148   87.705   20.869 6.684464 29.00792 
1 1 1  -28    7   13 o  268.431   12.013  1310.80  113.661  1221.43  162.451  1396.50  159.085  259.129   17.737  277.732   16.206 -18.60339 24.02609 
1 1 1  -28    7   15 o  218.726   11.996  866.907   92.578  940.789  134.100  799.631  127.964  227.715   16.662  209.738   17.262 17.97682 23.99143 
1 1 1  -28    7   17 o   42.192   14.118 -35.5713   30.422  -9.7150   97.837 -38.3389   32.009   57.742   25.249   26.643   12.638 31.09937 28.23499 
1 1 1  -28    7   19 o   86.413   17.866   99.038   49.402  247.504  114.891   65.361   54.719  111.422   28.921   61.405   20.985 50.01717 35.73222 
1 1 1  -28    7   21 o  213.165   16.684  865.061  110.584  829.288  211.067  878.595  129.829  206.885   28.865  219.444   16.739 -12.55873 33.36735 
1 1 1  -28    7   23 o  114.857   19.032  214.000   74.107  440.217  138.418  123.104   87.741  149.131   27.265   80.582   26.560 68.54910 38.06384 
1 1 1  -28    7   25 o  215.202   14.873  834.482  103.751  967.835  194.401  781.372  122.684  224.365   24.514  206.039   16.847 18.32652 29.74516 
1 1 1  -28    7   27 o  134.804   18.224  364.020   72.807  359.219  147.103  365.578   83.789  129.182   32.303  140.426   16.882 -11.24373 36.44806 
1 1 1  -28    7   29 o  301.792   18.831  1844.59  200.282  1800.66  291.373  1883.93  275.754  296.690   27.786  306.893   25.422 -10.20386 37.66108 
1 1 1  -28    7   31 o  227.667   15.450  994.536  112.531  1088.00  211.411  957.588  132.926  230.024   26.004  225.310   16.692 4.713547 30.90002 
1 1 1  -28    8    2 o  410.223   12.813  3109.96  183.533  2641.23  264.238  3546.88  255.113  378.743   19.739  441.703   16.341 -62.95944 25.62557 
1 1 1  -28    8    4 o  277.705   12.357  1411.52  120.730  1300.36  174.105  1514.48  167.560  266.632   18.475  288.777   16.417 -22.14539 24.71490 
1 1 1  -28    8    6 o  193.812   11.987  686.626   81.420  646.934  121.027  719.443  110.047  188.259   18.189  199.365   15.617 -11.10614 23.97366 
1 1 1  -28    8    8 o  316.713   11.781  1819.47  131.706  1845.24  191.811  1796.48  181.164  318.646   17.031  314.780   16.283 3.865631 23.56291 
1 1 1  -28    8   10 o  262.294   11.488  1247.08  106.328  1247.46  154.830  1246.74  146.277  262.142   16.711  262.447   15.769 -0.3052979 22.97662 
1 1 1  -28    8   12 o   84.739   21.021  137.409   62.656   0.0000   0.0000  137.409   62.656  ?   ?    84.739   21.021      ?      ? 
1 1 1  -28    8   14 o  386.408   16.059  2758.33  204.008  2824.28  362.555  2727.78  246.785  386.251   26.557  386.564   18.062 -0.3127136 32.11765 
1 1 1  -28    8   16 o   83.177   18.843  125.046   53.629  123.997  125.501  125.280   59.317   85.469   31.510   80.885   20.671 4.584579 37.68544 
1 1 1  -28    8   18 o  232.204   14.607  955.808  109.573  1105.52  206.745  897.329  129.212  242.393   24.132  222.016   16.466 20.37732 29.21475 
1 1 1  -28    8   20 o  316.182   15.660  1856.77  161.455  1906.03  291.099  1834.88  194.035  315.794   26.081  316.570   17.342 -0.7764893 31.31984 
1 1 1  -28    8   22 o  251.073   24.043  1199.24  213.360   0.0000   0.0000  1199.24  213.360  ?   ?   251.073   24.043      ?      ? 
1 1 1  -28    8   24 o  213.235   15.940  860.708  107.592  872.002  202.490  856.265  127.005  210.786   27.180  215.685   16.660 -4.899582 31.87934 
1 1 1  -28    8   26 o  230.454   18.156  1045.76  147.003  1052.90  219.893  1039.99  197.666  229.841   27.069  231.068   24.203 -1.226791 36.31111 
1 1 1  -28    8   28 o  100.394   18.845  208.140   59.629  206.493  131.811  208.563   66.862   97.203   32.572  103.585   18.961 -6.381302 37.68937 
1 1 1  -28    8   30 o  241.745   16.231  1098.29  138.682   0.0000   0.0000  1098.29  138.682  ?   ?   241.745   16.231      ?      ? 
1 1 1  -28    9    1 o  140.185   21.645  428.388   87.699  324.188  194.967  454.820   98.194  122.886   39.532  157.484   17.641 -34.59826 43.28949 
1 1 1  -28    9    3 o  131.929   14.008  338.536   60.691  245.098   90.190  415.864   82.047  112.474   23.447  151.384   15.334 -38.90980 28.01630 
1 1 1  -28    9    5 o  145.171   18.584  346.628   75.044  520.158  177.974  309.104   82.760  160.378   32.510  129.965   18.017 30.41304 37.16880 
1 1 1  -28    9    7 f  204.329   19.268  833.146  112.184  740.262  225.292  863.770  129.362  190.830   34.680  217.827   16.803 -26.99652 38.53598 
1 1 1  -28    9    9 o  238.937   15.301  988.308  113.872  1215.06  230.866  915.408  130.903  253.482   25.769  224.392   16.505 29.08974 30.60141 
1 1 1  -28    9   11 o  305.068   15.710  1656.65  151.546  1902.93  295.608  1568.85  176.505  316.651   26.413  293.484   17.016 23.16724 31.41928 
1 1 1  -28    9   13 o  226.572   16.822  928.649  114.575  1029.81  238.749  898.379  130.596  230.968   29.246  222.175   16.631 8.793716 33.64410 
1 1 1  -28    9   15 o  136.518   18.853  272.926   66.694  521.020  181.323  234.110   71.721  159.956   33.161  113.081   17.945 46.87556 37.70513 
1 1 1  -28    9   17 o  279.538   15.976  1392.43  140.752  1628.95  276.872  1310.00  163.449  291.473   26.876  267.603   17.281 23.86975 31.95212 
1 1 1  -28    9   19 o  175.807   18.226  599.280   93.582  592.792  187.489  601.433  107.996  170.358   32.321  181.256   16.858 -10.89763 36.45276 
1 1 1  -28    9   21 o  194.534   16.820  695.028  115.652   0.0000   0.0000  695.028  115.652  ?   ?   194.534   16.820      ?      ? 
1 1 1  -28    9   23 o   80.977   18.290  126.765   50.619  100.793  126.544  131.712   55.230   79.509   31.077   82.445   19.295 -2.936058 36.57990 
1 1 1  -28    9   25 o  216.416   15.191  842.149  105.395  1032.98  203.270  771.983  123.257  229.128   25.100  203.703   17.120 25.42535 30.38242 
1 1 1  -28    9   27 o  143.219   22.493  471.806  109.965  358.005  184.004  535.032  137.152  121.728   38.324  164.709   23.559 -42.98112 44.98655 
1 1 1  -28    9   29 f  156.841   16.142  417.441   74.206  637.767  170.169  365.707   82.459  174.505   27.590  139.178   16.763 35.32755 32.28314 
1 1 1  -28   10    2 o  106.663   21.531  178.342   65.499  336.583  172.494  151.682   70.801  125.213   36.643   88.113   22.619 37.09973 43.06178 
1 1 1  -28   10    4 o  180.878   15.542  395.481   77.199  1068.24  206.895  286.664   83.209  237.107   24.688  124.649   18.887 112.4580 31.08400 
1 1 1  -28   10    6 o   98.526   21.167  140.987   58.315  292.953  166.783  119.822   62.244  118.189   36.369   78.864   21.665 39.32506 42.33318 
1 1 1  -28   10    8 o  241.834   16.078  966.976  118.129  1369.30  255.289  857.363  133.253  267.204   27.031  216.464   17.417 50.73911 32.15666 
1 1 1  -28   10   10 o  184.036   19.502  659.329   98.835  652.939  213.957  661.063  111.437  177.674   35.315  190.399   16.559 -12.72485 39.00455 
1 1 1  -28   10   12 o  198.280   16.015  603.763   92.606  1002.47  218.160  516.130  102.278  228.569   27.005  167.990   17.226 60.57936 32.03084 
1 1 1  -28   10   14 o  148.908   17.472  280.717   68.756  706.961  192.275  218.221   73.624  190.842   28.505  106.973   20.213 83.86918 34.94482 
1 1 1  -28   10   16 o  263.947   17.056  1276.63  159.117   0.0000   0.0000  1276.63  159.117  ?   ?   263.947   17.056      ?      ? 
1 1 1  -28   10   18 o  243.022   16.015  1071.44  120.804  1214.68  241.241  1023.50  139.564  249.823   27.321  236.220   16.716 13.60356 32.02927 
1 1 1  -28   10   20 o  341.753   17.637  2159.08  213.039   0.0000   0.0000  2159.08  213.039  ?   ?   341.753   17.637      ?      ? 
1 1 1  -28   10   22 o  241.498   17.482  1174.75  129.660  1035.92  244.085  1229.32  153.038  225.205   30.665  257.792   16.796 -32.58687 34.96360 
1 1 1  -28   10   24 f  102.980   19.269  228.735   64.154  175.076  148.161  241.117   71.172   92.477   34.209  113.482   17.744 -21.00552 38.53723 
1 1 1  -28   10   26 o  256.014   17.588  1324.95  138.257  1273.19  265.603  1344.19  161.924  244.594   30.723  267.434   17.131 -22.84068 35.17642 
1 1 1  -28   10   28 o  277.859   16.920  1526.73  147.803  1626.30  282.221  1489.09  173.499  275.961   28.935  279.756   17.547 -3.795166 33.83948 
1 1 1  -28   11    1 o   77.472   31.474   79.762  134.837   79.762  134.837   0.0000   0.0000   77.472   31.474  ?   ?       ?      ? 
1 1 1  -28   11    3 o   84.330   19.608  -3.6646   39.332  397.111  175.893 -24.7597   40.354  135.232   36.118   33.429   15.280 101.8036 39.21686 
1 1 1  -28   11    5 o  205.835   17.021  778.339  123.832   0.0000   0.0000  778.339  123.832  ?   ?   205.835   17.021      ?      ? 
1 1 1  -28   11    7 o  257.962   19.289  1254.84  172.780  1499.67  277.965  1100.69  220.567  276.904   28.401  239.019   26.109 37.88499 38.57862 
1 1 1  -28   11    9 o  179.372   16.789  526.584   87.884  775.136  202.465  468.881   97.553  198.940   28.794  159.804   17.272 39.13586 33.57714 
1 1 1  -28   11   11 f  101.034   22.026  110.694   53.876  393.763  193.274   86.845   56.100  134.097   38.657   67.972   21.123 66.12560 44.05145 
1 1 1  -28   11   13 o  163.561   21.228  517.465   88.237  565.792  220.325  508.233   96.297  160.504   39.180  166.619   16.352 -6.114288 42.45570 
1 1 1  -28   11   15 o  185.370   19.712  625.910   98.822  772.672  230.845  592.980  109.348  191.254   35.456  179.487   17.237 11.76643 39.42336 
1 1 1  -28   11   17 o   60.728   18.740   17.374   38.903   66.672  157.920   14.189   40.140   79.499   33.340   41.956   17.123 37.54337 37.48026 
1 1 1  -28   11   19 o  390.943   16.173  2841.82  205.736  3162.14  378.708  2707.70  245.051  400.497   26.754  381.389   18.179 19.10822 32.34562 
1 1 1  -28   11   21 o   75.176   20.455   83.684   58.816  120.882  155.968   77.517   63.504   85.126   34.107   65.225   22.592 19.90108 40.91088 
1 1 1  -28   11   23 o  119.985   18.839  251.876   63.511  379.528  152.779  225.208   69.831  130.612   33.064  109.359   18.066 21.25214 37.67783 
1 1 1  -28   11   25 o  201.079   18.251  809.154  106.803  839.687  224.796  800.252  121.378  195.754   32.491  206.404   16.638 -10.64967 36.50299 
1 1 1  -28   11   27 o  103.843   22.810  243.262   88.104  277.511  157.978  227.800  106.145  106.275   35.659  101.411   28.455 4.863472 45.62047 
1 1 1  -28   12    2 o   83.839   21.895  133.260   88.113   49.721  156.629  171.938  106.576   76.204   32.627   91.474   29.207 -15.26968 43.79019 
1 1 1  -28   12    4 o   68.446   16.510   92.829   53.236 -201.7382  156.370  131.447   56.618   54.724   26.470   82.168   19.742 -27.44354 33.02091 
1 1 1  -28   12    6 o  126.376   21.316  344.941   77.205  286.390  188.980  356.671   84.586  113.832   38.997  138.920   17.227 -25.08761 42.63269 
1 1 1  -28   12    8 o  143.495   23.665  394.604  120.025   0.0000   0.0000  394.604  120.025  ?   ?   143.495   23.665      ?      ? 
1 1 1  -28   12   10 o  108.279   20.488  280.703   71.894   70.821  207.588  309.308   76.637   86.954   37.405  129.603   16.730 -42.64910 40.97565 
1 1 1  -28   12   12 o  178.359   16.468  585.416  103.815   0.0000   0.0000  585.416  103.815  ?   ?   178.359   16.468      ?      ? 
1 1 1  -28   12   14 o   97.316   20.344  211.759   68.699   32.256  205.441  234.359   72.896   82.425   36.300  112.208   18.381 -29.78295 40.68811 
1 1 1  -28   12   16 o  246.250   18.627  1223.20  136.243  1126.85  271.575  1255.61  157.497  232.226   33.087  260.274   17.121 -28.04813 37.25423 
1 1 1  -28   12   18 o  129.780   22.800  342.166   79.405  382.087  218.108  336.066   85.256  125.496   41.900  134.063   17.993 -8.567131 45.59998 
1 1 1  -28   12   20 o   71.592   20.364   80.432   60.346 -24.8937  197.529   91.274   63.376   74.314   33.905   68.869   22.567 5.444527 40.72879 
1 1 1  -28   12   22 o  238.657   17.661  1054.75  123.335  1312.69  271.027  987.383  138.507  248.084   30.910  229.230   17.095 18.85435 35.32214 
1 1 1  -28   12   24 o  195.408   17.461  696.729   99.096  925.545  222.919  640.376  110.627  206.783   30.501  184.034   17.008 22.74821 34.92224 
1 1 1  -28   13    1 f  137.397   20.417  441.016   84.990  306.729  170.639  485.320   98.012  113.967   37.015  160.827   17.243 -46.86031 40.83385 
1 1 1  -28   13    3 o  101.854   22.190  231.519   94.089  127.515  148.291  301.604  121.731   84.589   33.463  119.119   29.151 -34.52972 44.37939 
1 1 1  -28   13    5 o  140.243   18.248  369.000   90.452   0.0000   0.0000  369.000   90.452  ?   ?   140.243   18.248      ?      ? 
1 1 1  -28   13    7 o  151.262   19.926  437.480   84.587  522.731  189.128  416.163   94.573  153.303   35.589  149.221   17.932 4.082352 39.85120 
1 1 1  -28   13    9 o  177.306   19.063  653.334   95.858  582.413  192.632  676.677  110.513  163.393   34.442  191.219   16.352 -27.82556 38.12607 
1 1 1  -28   13   11 o  213.773   14.509  796.853   96.983  1030.97  196.949  721.911  111.429  229.844   24.244  197.702   15.946 32.14136 29.01819 
1 1 1  -28   13   13 o   91.808   20.449  166.897   58.986  151.195  169.892  169.049   62.899   90.565   35.820   93.051   19.737 -2.485962 40.89781 
1 1 1  -28   13   15 o  181.182   17.858  545.503   86.998  836.538  223.578  493.574   94.441  199.348   31.732  163.015   16.391 36.33292 35.71547 
1 1 1  -28   13   17 o   55.292   17.519   21.375   38.796 -63.6017  166.374   26.261   39.896   65.611   30.362   44.973   17.485 20.63797 35.03707 
1 1 1  -28   13   19 o   38.875   16.408   6.2629   38.650   0.0000   0.0000   6.2629   38.650  ?   ?    38.875   16.408      ?      ? 
1 1 1  -28   13   21 o  141.804   19.405  311.963   69.667  628.367  194.895  265.610   74.596  165.379   34.460  118.229   17.851 47.15024 38.80974 
1 1 1  -28   13   23 o  195.791   23.409  842.535  145.168  948.755  263.088  796.038  174.065  194.732   39.574  196.850   25.018 -2.117935 46.81880 
1 1 1  -28   14    2 o   88.959   20.270  114.084   56.675  295.554  145.882   81.827   61.506  112.541   33.890   65.377   22.248 47.16395 40.54047 
1 1 1  -28   14    4 o  122.877   18.185  260.328   65.399  432.069  145.132  216.569   73.259  141.253   29.997  104.501   20.567 36.75174 36.37014 
1 1 1  -28   14    6 o   97.611   17.369  242.671   66.893   0.0002  150.938  301.984   74.622   68.189   30.505  127.034   16.620 -58.84422 34.73876 
1 1 1  -28   14    8 o   53.469   15.279   35.706   43.528 -259.2393  146.066   64.452   45.600   48.297   23.822   58.641   19.139 -10.34382 30.55768 
1 1 1  -28   14   10 o  121.772   19.392  251.242   63.236  412.406  164.682  223.369   68.487  134.645   34.460  108.899   17.794 25.74590 38.78317 
1 1 1  -28   14   12 o  113.520   20.444  307.601   74.742  182.754  180.370  333.483   82.125   93.876   36.979  133.164   17.449 -39.28767 40.88868 
1 1 1  -28   14   14 o   73.262   19.384   55.325   51.400  202.382  135.375   30.554   55.560   95.727   32.995   50.797   20.355 44.93064 38.76889 
1 1 1  -28   14   16 f   44.063   14.618   0.8733   31.345 -228.6423  151.834   11.090   32.035   50.894   24.939   37.231   15.258 13.66269 29.23611 
1 1 1  -28   14   18 o  109.840   28.901  265.087  113.717   0.0000   0.0000  265.087  113.717  ?   ?   109.840   28.901      ?      ? 
1 1 1  -28   14   20 o  116.800   23.469  343.188  102.265  253.291  195.079  377.254  120.088  100.464   38.774  133.137   26.452 -32.67360 46.93752 
1 1 1  -28   15    3 o  143.685   32.846  478.489  163.170   0.0000   0.0000  478.489  163.170  ?   ?   143.685   32.846      ?      ? 
1 1 1  -28   15    5 o   98.978   20.238  196.215   68.410   0.0000   0.0000  196.215   68.410  ?   ?    98.978   20.238      ?      ? 
1 1 1  -28   15    7 o  189.898   15.271  648.311   93.067  871.750  181.888  569.064  108.321  206.909   24.872  172.886   17.727 34.02325 30.54244 
1 1 1  -28   15    9 o   43.478   13.143   2.3022   37.710 -360.5829  125.070   38.591   39.551   38.474   19.419   48.483   17.717 -10.00858 26.28651 
1 1 1  -28   15   11 o  105.910   19.791  259.202   70.785  184.689  157.307  278.120   79.263   91.369   34.930  120.452   18.618 -29.08286 39.58229 
1 1 1  -28   15   13 f  160.340   20.877  604.404   94.576  458.559  191.331  651.563  108.798  134.915   38.326  185.765   16.570 -50.85016 41.75450 
1 1 1  -28   15   15 o   93.215   23.170  176.048   89.614  286.541  161.001  126.450  107.868  107.666   35.999   78.763   29.178 28.90326 46.33913 
1 1 1  -27    0    1 o  193.006   18.708  708.917  170.852  708.917  170.852  708.917  170.852  193.006   26.457  193.006   26.457 -0.000000 0.000000 
1 1 1  -27    0    3 o   27.410   12.675  -5.1242   42.871  -5.1242   42.871  -5.1242   42.871   27.410   17.925   27.410   17.925 -0.000000 0.000000 
1 1 1  -27    0    5 o   74.479   18.177  129.376   60.950  129.376   60.950  129.376   60.950   74.479   25.706   74.479   25.706 -0.000000 0.000000 
1 1 1  -27    0    7 o  320.481   17.477  1882.48  276.129  1882.48  276.129  1882.48  276.129  320.481   24.716  320.481   24.716 -0.000000 0.000000 
1 1 1  -27    0    9 f  237.865   12.125  1024.71  142.435  1024.71  142.435  1024.71  142.435  237.865   17.147  237.865   17.147 -0.000000 0.000000 
1 1 1  -27    0   11 f  538.690   14.078  5215.11  377.893  5215.11  377.893  5215.11  377.893  538.690   19.909  538.690   19.909 -0.000000 0.000000 
1 1 1  -27    0   13 o  276.967   11.856  1382.87  162.754  1382.87  162.754  1382.87  162.754  276.967   16.767  276.967   16.767 -0.000000 0.000000 
1 1 1  -27    0   15 o  397.185   12.787  2835.63  252.662  2835.63  252.662  2835.63  252.662  397.185   18.083  397.185   18.083 -0.000000 0.000000 
1 1 1  -27    0   17 o  156.274   12.619  452.672   95.249  452.672   95.249  452.672   95.249  156.274   17.846  156.274   17.846 -0.000000 0.000000 
1 1 1  -27    0   19 o  557.620   14.657  5602.94  407.243  5602.94  407.243  5602.94  407.243  557.620   20.728  557.620   20.728 -0.000000 0.000000 
1 1 1  -27    0   21 o  462.948   13.483  3859.32  310.785  3859.32  310.785  3859.32  310.785  462.948   19.067  462.948   19.067 -0.000000 0.000000 
1 1 1  -27    0   23 o  560.341   14.556  5669.04  406.438  5669.04  406.438  5669.04  406.438  560.341   20.585  560.341   20.585 -0.000000 0.000000 
1 1 1  -27    0   25 o  272.111   17.089  1373.01  228.217  1373.01  228.217  1373.01  228.217  272.111   24.168  272.111   24.168 -0.000000 0.000000 
1 1 1  -27    0   27 f  110.633   13.592  238.327   68.365  238.327   68.365  238.327   68.365  110.633   19.223  110.633   19.223 -0.000000 0.000000 
1 1 1  -27    0   29 o  136.246   12.949  351.279   83.710  351.279   83.710  351.279   83.710  136.246   18.313  136.246   18.313 -0.000000 0.000000 
1 1 1  -27    0   31 o   48.021   16.275   61.872   44.999   61.872   44.999   61.872   44.999   48.021   23.016   48.021   23.016 -0.000000 0.000000 
1 1 1  -27    0   33 o   66.192   17.315  107.277   53.135  107.277   53.135  107.277   53.135   66.192   24.487   66.192   24.487 -0.000000 0.000000 
1 1 1  -27    0   35 o   36.576   13.978   35.383   35.653   35.383   35.653   35.383   35.653   36.576   19.768   36.576   19.768 -0.000000 0.000000 
1 1 1  -27    1    2 f   64.704   14.609   74.224   37.811   63.369   51.968   86.432   55.115   60.773   20.452   68.635   20.867 -7.861877 29.21855 
1 1 1  -27    1    4 o   66.253   14.158   79.334   36.924   54.382   52.392  103.958   52.047   58.101   20.495   74.406   19.540 -16.30468 28.31689 
1 1 1  -27    1    6 o   70.028   14.169   85.787   38.704   46.530   52.174  133.825   57.714   55.740   20.352   84.316   19.719 -28.57655 28.33753 
1 1 1  -27    1    8 o   40.281   11.687   1.0742   27.831 -22.6772   37.253   31.074   41.868   32.488   14.784   48.074   18.105 -15.58612 23.37466 
1 1 1  -27    1   10 o   70.201   15.107   91.789   42.180   56.316   66.247  115.974   54.700   61.888   22.879   78.515   19.734 -16.62698 30.21359 
1 1 1  -27    1   12 o  400.488   12.700  2894.81  179.736  2957.34  254.454  2832.54  253.915  404.888   17.781  396.089   18.137 8.798279 25.39939 
1 1 1  -27    1   14 o  250.598   14.565  1147.93  120.848  1161.18  147.786  1121.18  209.945  254.044   16.459  247.153   24.034 6.890442 29.12930 
1 1 1  -27    1   16 f  169.130   11.659  514.954   69.660  514.462  100.061  515.416   97.036  169.001   16.752  169.258   16.220 -0.2564850 23.31780 
1 1 1  -27    1   18 o  521.560   13.983  4941.00  257.758  4967.49  365.016  4914.65  364.035  522.974   19.748  520.146   19.801 2.827087 27.96540 
1 1 1  -27    1   20 f   86.997   13.966  142.318   42.127  169.691   61.001  117.361   58.246   95.183   18.799   78.810   20.659 16.37288 27.93213 
1 1 1  -27    1   22 o  532.310   14.465  5176.57  272.151  5208.17  385.053  5145.04  384.705  533.980   20.402  530.640   20.512 3.339355 28.93076 
1 1 1  -27    1   24 o  572.729   15.011  6026.07  303.837  5950.21  429.421  6102.11  429.959  568.991   21.353  576.466   21.102 -7.475525 30.02104 
1 1 1  -27    1   26 o  487.186   28.582  4527.33  492.170  4527.33  492.170   0.0000   0.0000  487.186   28.582  ?   ?       ?      ? 
1 1 1  -27    1   28 o  270.362   11.738  1331.22  112.149  1305.09  158.715  1357.28  158.491  267.626   16.779  273.099   16.420 -5.473114 23.47647 
1 1 1  -27    1   30 o  208.181   11.618  793.061   85.423  828.572  120.912  757.675  120.700  212.992   16.061  203.370   16.792 9.622482 23.23665 
1 1 1  -27    1   32 o   46.261   11.953   32.596   25.778   22.250   37.236   42.118   35.722   43.088   16.853   49.434   16.954 -6.345222 23.90568 
1 1 1  -27    1   34 o  159.325   11.825  474.115   66.281  530.066   94.572  420.100   92.921  169.012   15.832  149.639   17.569 19.37244 23.64978 
1 1 1  -27    1   36 o   62.473   13.446   76.725   32.460   68.724   48.233   83.348   43.885   59.947   19.690   64.998   18.317 -5.051594 26.89214 
1 1 1  -27    2    1 o  187.438   11.827  633.009   78.273  672.427  111.746  595.040  109.674  193.244   16.361  181.632   17.084 11.61208 23.65463 
1 1 1  -27    2    3 o  349.352   15.585  2271.98  179.579  2098.52  309.127  2360.33  220.623  336.911   25.960  361.793   17.253 -24.88147 31.17027 
1 1 1  -27    2    5 o  105.831   13.280  204.954   48.497  182.267   66.603  230.558   70.755   98.622   19.795  113.041   17.709 -14.41943 26.56082 
1 1 1  -27    2    7 o  224.374   11.589  905.477   91.895  919.242  130.192  891.810  129.728  226.097   16.292  222.652   16.485 3.444824 23.17710 
1 1 1  -27    2    9 o  205.270   14.307  767.068   98.219  756.840  167.796  772.399  121.141  203.333   23.348  207.206   16.541 -3.873306 28.61386 
1 1 1  -27    2   11 o  193.564   15.615  722.117   97.246  795.687  119.525  578.059  167.255  210.404   16.073  176.725   26.777 33.67892 31.23030 
1 1 1  -27    2   13 o  222.399   14.140  893.359  105.838  910.925  180.003  884.077  130.846  223.188   22.819  221.610   16.705 1.578491 28.27985 
1 1 1  -27    2   15 o  237.442   11.695  1016.50   97.929  942.003  138.734  1090.48  138.251  228.589   17.171  246.296   15.882 -17.70712 23.38980 
1 1 1  -27    2   17 o  129.607   12.363  305.330   56.196  268.538   80.710  339.950   78.292  121.771   18.753  137.444   16.117 -15.67287 24.72666 
1 1 1  -27    2   19 o  432.257   12.967  3383.78  198.095  3444.26  280.617  3323.71  279.683  436.184   18.202  428.329   18.474 7.854858 25.93497 
1 1 1  -27    2   21 o  392.392   12.625  2791.59  174.749  3001.06  247.792  2584.32  246.478  407.391   17.209  377.394   18.478 29.99683 25.25075 
1 1 1  -27    2   23 o   73.219   14.054  101.550   37.451   89.718   54.471  112.158   51.574   69.435   20.664   77.004   19.054 -7.568352 28.10744 
1 1 1  -27    2   25 o  146.821   14.288  378.542   70.712  342.704   86.175  452.410  123.720  137.252   17.764  156.390   22.383 -19.13792 28.57523 
1 1 1  -27    2   27 o  274.928   14.122  1349.56  129.915  1523.74  228.537  1266.41  157.911  286.091   22.601  263.765   16.938 22.32510 28.24408 
1 1 1  -27    2   29 o  451.284   13.527  3760.08  215.571  3942.49  305.283  3578.66  304.446  462.662   18.669  439.907   19.581 22.75497 27.05429 
1 1 1  -27    2   31 o  147.288   16.069  427.574   73.279  388.386  131.948  445.051   88.117  138.760   27.872  155.816   16.000 -17.05634 32.13811 
1 1 1  -27    2   33 f   80.405   13.559  126.063   38.160  146.451   54.824  106.902   53.149   86.952   18.412   73.857   19.908 13.09434 27.11740 
1 1 1  -27    2   35 o  278.297   15.368  1513.27  140.395  1514.01  247.000  1512.92  170.641  273.162   25.583  283.433   17.034 -10.27081 30.73533 
1 1 1  -27    3    2 o  153.992   12.564  428.303   68.315  430.801   98.920  426.025   94.459  154.352   18.132  153.633   17.396 0.7193298 25.12742 
1 1 1  -27    3    4 o  172.264   12.420  534.689   75.540  569.708  109.047  502.382  104.741  177.720   17.360  166.809   17.766 10.91096 24.83943 
1 1 1  -27    3    6 o  164.137   12.034  485.916   69.713  473.088  100.450  497.835   96.828  161.945   17.549  166.328   16.471 -4.383072 24.06809 
1 1 1  -27    3    8 o   48.292   13.135   28.538   31.436   31.055   47.065   26.510   42.241   49.777   19.088   46.808   18.049 2.969219 26.27006 
1 1 1  -27    3   10 o  378.917   12.517  2594.95  167.183  2383.89  236.691  2805.09  236.174  363.184   18.439  394.651   16.932 -31.46701 25.03347 
1 1 1  -27    3   12 f  285.743   14.881  1482.04  141.981  1474.16  174.294  1497.58  244.788  285.975   17.244  285.512   24.257 0.4637451 29.76197 
1 1 1  -27    3   14 o  112.963   13.126  233.885   51.243  250.414   73.177  217.982   71.780  117.799   17.576  108.127   19.500 9.671654 26.25166 
1 1 1  -27    3   16 o  224.014   11.575  905.687   91.322  821.588  129.365  989.227  128.935  213.421   17.150  234.607   15.549 -21.18678 23.14942 
1 1 1  -27    3   18 o  202.545   11.593  739.190   82.955  767.648  117.977  711.359  116.668  206.454   16.168  198.636   16.618 7.818481 23.18513 
1 1 1  -27    3   20 o  237.056   11.712  1014.15   98.110  1011.00  140.041  1017.19  137.492  236.640   16.743  237.471   16.381 -0.8316345 23.42408 
1 1 1  -27    3   22 o  227.996   11.752  940.118   94.615  988.529  134.190  892.257  133.426  233.955   16.228  222.038   17.002 11.91693 23.50346 
1 1 1  -27    3   24 f  236.331   16.682  1037.51  139.236  1065.31  195.132  1008.67  198.735  239.830   23.020  232.831   24.150 6.998230 33.36366 
1 1 1  -27    3   26 o  294.680   11.967  1578.85  124.591  1638.04  177.006  1520.73  175.401  300.273   16.678  289.087   17.167 11.18616 23.93441 
1 1 1  -27    3   28 o  340.310   15.436  2152.59  173.892  2175.49  304.037  2141.46  211.988  338.512   25.412  342.108   17.532 -3.596954 30.87257 
1 1 1  -27    3   30 o   89.332   13.357  153.905   40.825  135.864   59.243  170.219   56.337   83.798   20.232   94.866   17.445 -11.06865 26.71420 
1 1 1  -27    3   32 o  157.940   14.686  464.574   75.912  494.875  137.063  451.166   91.173  159.629   24.293  156.250   16.509 3.379532 29.37220 
1 1 1  -27    3   34 o  159.719   14.019  461.123   74.077  567.522  135.154  415.435   88.565  170.458   22.433  148.979   16.820 21.47894 28.03834 
1 1 1  -27    3   36 o  107.705   15.552  212.702   52.769  303.393  100.979  178.631   61.892  120.573   24.530   94.838   19.124 25.73494 31.10404 
1 1 1  -27    4    1 o  192.699   12.237  672.880   83.008  610.474  118.214  733.576  116.584  183.632   18.214  201.765   16.348 -18.13298 24.47465 
1 1 1  -27    4    3 o  263.961   12.150  1262.41  112.818  1143.27  161.455  1376.09  157.708  251.419   18.169  276.503   16.137 -25.08374 24.30080 
1 1 1  -27    4    5 o  188.641   12.192  647.567   80.490  562.051  116.136  726.614  111.657  176.226   18.646  201.057   15.713 -24.83186 24.38325 
1 1 1  -27    4    7 o  168.417   12.329  515.163   72.859  463.167  105.573  562.448  100.677  159.995   18.669  176.838   16.108 -16.84264 24.65756 
1 1 1  -27    4    9 o  210.322   10.900  792.821   80.938  844.321  117.249  745.942  111.867  216.860   15.297  203.785   15.531 13.07460 21.79966 
1 1 1  -27    4   11 o  249.970   11.669  1125.60  103.010  1098.92  147.575  1150.94  143.853  246.967   16.906  252.973   16.089 -6.006439 23.33836 
1 1 1  -27    4   13 o  344.998   15.491  2180.01  177.972  2194.54  218.615  2151.45  306.457  348.617   17.742  341.380   25.399 7.236572 30.98197 
1 1 1  -27    4   15 o  280.014   12.085  1415.31  119.502  1357.73  169.715  1471.92  168.295  274.221   17.511  285.807   16.660 -11.58612 24.16981 
1 1 1  -27    4   17 o  213.989   11.860  826.557   89.623  796.693  127.598  855.637  125.910  210.063   17.186  217.915   16.348 -7.852066 23.71918 
1 1 1  -27    4   19 o  180.814   12.026  591.044   76.584  654.455  109.314  529.916  107.327  190.521   16.233  171.107   17.747 19.41418 24.05151 
1 1 1  -27    4   21 o  252.094   12.038  1150.19  107.128  1222.94  152.450  1079.22  150.570  260.121   16.582  244.066   17.455 16.05519 24.07528 
1 1 1  -27    4   23 o   87.213   15.546  147.398   47.393  131.456   75.844  157.610   60.704   83.125   24.289   91.301   19.409 -8.175735 31.09156 
1 1 1  -27    4   25 o  215.078   11.465  838.630   87.066  888.933  123.992  789.700  122.287  221.566   15.833  208.589   16.587 12.97710 22.93077 
1 1 1  -27    4   27 o  174.280   14.293  557.690   84.249  549.286  104.729  573.101  141.825  173.514   17.077  175.047   22.923 -1.533630 28.58509 
1 1 1  -27    4   29 o  115.678   17.582  273.968   62.684  227.348  124.128  289.927   72.625  105.425   31.150  125.931   16.317 -20.50574 35.16494 
1 1 1  -27    4   31 o   87.637   17.175  133.281   47.434  196.361  103.227  116.397   53.407   97.856   28.263   77.417   19.522 20.43867 34.35005 
1 1 1  -27    4   33 o  116.378   15.678  237.310   55.905  334.731  114.141  206.564   64.123  127.664   26.175  105.092   17.263 22.57217 31.35518 
1 1 1  -27    4   35 o  132.304   17.185  355.585   69.369  360.078  133.009  353.906   81.302  127.676   29.986  136.932   16.799 -9.256279 34.37055 
1 1 1  -27    5    2 o  105.896   13.814  211.437   49.759  156.753   71.097  263.941   69.666   90.771   22.317  121.021   16.287 -30.25028 27.62821 
1 1 1  -27    5    4 o  141.879   12.447  363.465   62.367  368.993   90.318  358.426   86.226  142.859   17.887  140.899   17.314 1.960297 24.89469 
1 1 1  -27    5    6 o   87.470   14.634  145.055   44.632  129.711   63.848  159.719   62.416   82.801   21.593   92.140   19.759 -9.339088 29.26882 
1 1 1  -27    5    8 o  232.148   14.242  978.686  110.832  981.710  189.237  977.107  136.738  231.396   23.138  232.901   16.611 -1.504837 28.48338 
1 1 1  -27    5   10 o  145.606   11.523  380.145   58.995  437.431   86.152  329.563   80.953  156.003   15.625  135.209   16.940 20.79308 23.04530 
1 1 1  -27    5   12 o  312.671   12.196  1768.54  134.382  1639.84  191.910  1892.36  188.232  301.183   18.028  324.159   16.429 -22.97610 24.39113 
1 1 1  -27    5   14 o  392.828   12.649  2789.96  175.601  2780.06  249.926  2799.61  246.778  392.066   18.036  393.589   17.740 -1.522186 25.29776 
1 1 1  -27    5   16 o  253.683   11.300  1160.45  101.171  1112.62  144.931  1205.91  141.294  248.419   16.507  258.946   15.438 -10.52701 22.60094 
1 1 1  -27    5   18 o  160.724   12.110  466.813   68.729  468.488   99.430  465.280   95.108  160.925   17.481  160.522   16.763 0.4025421 24.21997 
1 1 1  -27    5   20 o  129.215   12.684  302.290   57.863  317.040   84.279  289.138   79.585  132.171   18.041  126.259   17.834 5.912117 25.36803 
1 1 1  -27    5   22 o  166.847   12.462  505.789   73.158  568.441  104.761  446.153  102.208  177.159   16.731  156.535   18.474 20.62430 24.92380 
1 1 1  -27    5   24 o  246.399   15.401  1160.32  124.158  1238.59  152.988  1009.31  212.499  261.280   16.567  231.519   25.969 29.76051 30.80292 
1 1 1  -27    5   26 o   93.044   17.071  188.666   57.861   69.822  117.466  226.740   66.486   74.529   29.688  111.559   16.862 -37.02996 34.14202 
1 1 1  -27    5   28 o  270.879   17.304  1391.13  165.467  1485.08  239.966  1305.97  228.468  279.734   24.271  262.024   24.670 17.70975 34.60737 
1 1 1  -27    5   30 o  180.929   15.558  618.933   89.030  622.915  167.564  617.367  105.090  178.535   26.554  183.323   16.219 -4.788376 31.11587 
1 1 1  -27    5   32 f  299.802   18.014  1778.58  190.758  1818.06  275.766  1742.37  264.153  302.596   25.784  297.009   25.163 5.587463 36.02809 
1 1 1  -27    5   34 o   58.988   15.361   61.634   37.683   10.687   94.452   71.279   41.095   57.354   24.949   60.623   17.927 -3.268707 30.72170 
1 1 1  -27    6    1 o   59.879   14.444   57.277   37.949   30.419   52.567   86.507   54.840   51.275   20.033   68.483   20.814 -17.20861 28.88833 
1 1 1  -27    6    3 o  267.552   12.056  1303.00  112.829  1103.00  160.723  1497.33  158.429  246.661   18.436  288.444   15.540 -41.78235 24.11159 
1 1 1  -27    6    5 o  231.310   11.737  968.540   95.519  876.090  136.365  1057.60  133.840  220.165   17.524  242.454   15.618 -22.28871 23.47394 
1 1 1  -27    6    7 o  229.284   11.839  948.710   95.869  921.383  136.886  975.019  134.310  225.930   17.142  232.638   16.335 -6.707458 23.67844 
1 1 1  -27    6    9 o  377.788   12.620  2580.72  168.482  2561.25  239.914  2599.66  236.658  376.290   18.039  379.285   17.654 -2.995636 25.24000 
1 1 1  -27    6   11 f  207.572   11.712  776.779   85.896  769.561  122.662  783.725  120.323  206.567   16.801  208.577   16.322 -2.010315 23.42339 
1 1 1  -27    6   13 o  157.344   12.314  448.263   68.323  423.481   97.948  471.749   95.350  152.958   18.118  161.731   16.680 -8.773666 24.62700 
1 1 1  -27    6   15 o  338.862   14.651  2112.10  165.748  2149.72  204.733  2040.55  282.361  345.111   16.784  332.613   24.019 12.49854 29.30201 
1 1 1  -27    6   17 o  233.510   11.897  983.833   98.110  1039.39  141.542  932.460  136.114  239.886   16.694  227.135   16.955 12.75099 23.79421 
1 1 1  -27    6   19 o  290.849   12.044  1530.26  123.591  1657.91  177.282  1409.55  172.390  302.831   16.563  278.868   17.490 23.96289 24.08828 
1 1 1  -27    6   21 o  146.274   19.129  437.452   81.207  354.395  162.995  464.876   93.658  132.306   34.499  160.242   16.537 -27.93602 38.25800 
1 1 1  -27    6   23 o  464.385   19.671  4096.20  322.738  4261.20  460.859  3937.40  452.108  473.914   27.514  454.856   28.122 19.05795 39.34280 
1 1 1  -27    6   25 f  133.629   17.544  342.820   71.197  339.500  138.375  344.016   83.031  129.890   30.638  137.369   17.101 -7.478607 35.08757 
1 1 1  -27    6   27 o  254.809   16.447  1273.41  132.464  1097.30  238.685  1351.79  159.236  237.615   28.421  272.004   16.563 -34.38913 32.89482 
1 1 1  -27    6   29 o   86.723   18.324  118.352   46.914  208.063  121.772  102.716   50.838  100.489   31.102   72.957   19.385 27.53160 36.64873 
1 1 1  -27    6   31 o   66.537   17.105   43.265   34.195  155.387  110.135   31.303   35.973   87.591   29.772   45.484   16.850 42.10783 34.20934 
1 1 1  -27    6   33 o  121.349   16.936  277.097   61.536  340.387  127.742  257.972   70.221  125.519   29.323  117.178   16.955 8.340881 33.87221 
1 1 1  -27    6   35 o  185.955   16.482  683.490   94.252  729.738  185.870  667.482  109.354  184.227   28.545  187.683   16.485 -3.456100 32.96354 
1 1 1  -27    7    2 o  197.838   11.604  706.748   80.984  711.505  118.406  702.566  111.010  198.336   16.891  197.340   15.916 0.9958344 23.20799 
1 1 1  -27    7    4 o  354.344   12.086  2270.77  151.194  2255.15  218.652  2285.08  209.295  352.970   17.526  355.717   16.647 -2.746948 24.17223 
1 1 1  -27    7    6 o  556.552   14.312  5649.14  281.325  5432.73  398.885  5863.32  396.829  545.562   20.686  567.542   19.783 -21.98016 28.62304 
1 1 1  -27    7    8 o  175.722   11.401  555.944   70.753  588.533  101.593  525.251   98.593  180.765   15.901  170.679   16.343 10.08528 22.80259 
1 1 1  -27    7   10 o  220.177   12.097  876.176   94.075  859.137  134.598  892.449  131.538  217.980   17.470  222.373   16.736 -4.392883 24.19307 
1 1 1  -27    7   12 o  352.049   12.248  2240.51  152.399  2251.25  216.787  2230.01  214.284  352.855   17.383  351.242   17.261 1.612946 24.49684 
1 1 1  -27    7   14 o  473.571   13.582  4078.09  227.331  4107.72  323.080  4049.04  319.933  475.257   19.234  471.885   19.182 3.371613 27.16427 
1 1 1  -27    7   16 o  117.067   19.333  272.117   69.149  232.801  148.024  283.092   78.207  109.163   34.375  124.972   17.706 -15.80881 38.66653 
1 1 1  -27    7   18 o  439.964   17.451  3671.63  250.058  3392.83  439.178  3805.38  304.179  422.784   29.390  457.143   18.826 -34.35886 34.90263 
1 1 1  -27    7   20 o  245.986   15.677  1119.74  123.821  1109.88  227.482  1123.89  147.602  242.959   26.491  249.013   16.771 -6.053680 31.35300 
1 1 1  -27    7   22 o  176.815   23.492  582.528  146.812   0.0000   0.0000  582.528  146.812  ?   ?   176.815   23.492      ?      ? 
1 1 1  -27    7   24 o  320.944   17.988  1946.58  203.872  1994.72  295.706  1902.97  281.458  324.431   25.788  317.458   25.085 6.972168 35.97580 
1 1 1  -27    7   26 o  321.069   15.480  1907.40  162.941  1989.63  292.196  1870.28  196.295  322.724   25.617  319.414   17.387 3.309540 30.96030 
1 1 1  -27    7   28 o  187.390   20.703  725.577  127.852  554.300  191.449  863.446  171.766  161.606   34.564  213.174   22.797 -51.56828 41.40508 
1 1 1  -27    7   30 o  182.621   14.946  603.057   86.643  713.703  168.600  563.349  101.001  190.761   25.006  174.482   16.378 16.27988 29.89212 
1 1 1  -27    7   32 o  120.385   17.985  288.355   64.672  310.923  135.166  281.655   73.649  118.261   31.694  122.510   17.009 -4.248962 35.96973 
1 1 1  -27    7   34 o  225.924   15.141  950.019  108.665  1152.92  211.530  877.280  126.654  236.617   25.293  215.233   16.649 21.38387 30.28115 
1 1 1  -27    8    1 f  337.727   12.370  2069.93  147.544  2091.96  213.262  2049.71  204.342  339.299   17.783  336.155   17.199 3.144897 24.73945 
1 1 1  -27    8    3 o  246.025   11.840  1096.42  102.525  1082.51  151.509  1108.16  139.251  244.302   17.547  247.747   15.903 -3.445511 23.68067 
1 1 1  -27    8    5 o  154.311   12.380  429.223   67.323  476.361   99.133  388.873   91.718  162.179   17.294  146.443   17.720 15.73615 24.76077 
1 1 1  -27    8    7 o  351.410   12.326  2236.19  153.019  2241.55  219.921  2231.16  213.046  351.690   17.692  351.130   17.167 0.5600281 24.65187 
1 1 1  -27    8    9 o  118.029   13.640  253.969   54.623  330.014   81.981  193.259   73.251  135.052   17.175  101.006   21.194 34.04626 27.27959 
1 1 1  -27    8   11 o  112.927   18.139  185.811   58.710  373.867  139.718  145.485   64.699  138.382   29.469   87.472   21.158 50.90919 36.27797 
1 1 1  -27    8   13 o  154.739   18.527  457.310   82.168  446.823  170.771  460.470   93.731  149.874   33.120  159.605   16.616 -9.730804 37.05420 
1 1 1  -27    8   15 o  129.697   19.520  322.755   74.023  318.785  159.987  323.836   83.498  125.793   34.807  133.601   17.683 -7.808334 39.04064 
1 1 1  -27    8   17 o  261.502   15.651  1253.09  130.669  1279.44  244.273  1242.53  154.656  261.070   26.473  261.935   16.705 -0.8645630 31.30287 
1 1 1  -27    8   19 o  219.120   14.793  846.984  105.122  977.424  197.043  795.087  124.287  228.886   24.357  209.354   16.797 19.53200 29.58695 
1 1 1  -27    8   21 o  240.992   16.749  1055.46  142.665   0.0000   0.0000  1055.46  142.665  ?   ?   240.992   16.749      ?      ? 
1 1 1  -27    8   23 o  342.641   14.682  2062.80  166.320  2497.85  303.557  1876.17  198.819  364.893   23.537  320.389   17.557 44.50433 29.36430 
1 1 1  -27    8   25 o  252.704   17.434  1200.44  154.803  1377.72  233.497  1061.41  206.779  269.244   24.537  236.164   24.773 33.08032 34.86730 
1 1 1  -27    8   27 o  208.963   15.098  792.150  101.041  898.731  192.245  751.471  118.769  215.744   25.211  202.182   16.620 13.56140 30.19687 
1 1 1  -27    8   29 o   72.123   18.939   82.376   58.743  119.600  112.589   68.453   68.858   80.555   29.817   63.690   23.361 16.86512 37.87847 
1 1 1  -27    8   31 o   61.423   14.549   75.437   42.801 -130.6677  113.903  109.324   46.185   48.027   23.069   74.820   17.735 -26.79263 29.09841 
1 1 1  -27    8   33 o  253.323   16.811  1292.46  133.659  1295.75  251.466  1291.17  157.794  245.883   28.935  260.763   17.121 -14.87933 33.62112 
1 1 1  -27    9    2 o  276.015   11.393  1388.66  110.259  1274.71  161.946  1487.12  150.538  264.886   17.298  287.144   14.833 -22.25729 22.78657 
1 1 1  -27    9    4 o  158.603   17.927  420.328   80.977  585.055  183.286  380.375   90.265  172.511   31.209  144.694   17.650 27.81639 35.85436 
1 1 1  -27    9    6 o  102.252   21.087  202.097   64.640  164.964  179.489  207.630   69.290   99.340   37.471  105.163   19.355 -5.823563 42.17428 
1 1 1  -27    9    8 o  250.834   19.130  1176.99  167.190  1215.33  260.526  1150.14  218.001  253.103   29.123  248.564   24.814 4.539047 38.26069 
1 1 1  -27    9   10 o  285.641   15.579  1464.95  142.540  1593.77  269.255  1414.79  168.014  291.819   26.105  279.463   17.010 12.35513 31.15818 
1 1 1  -27    9   12 o  134.268   19.349  329.453   72.411  373.015  167.180  319.393   80.338  135.794   34.703  132.742   17.123 3.051498 38.69736 
1 1 1  -27    9   14 o  136.098   20.756  391.340   82.404  293.984  178.580  417.678   92.884  120.490   37.726  151.707   17.323 -31.21685 41.51299 
1 1 1  -27    9   16 o  170.977   15.917  488.431   81.736  647.287  177.703  445.806   92.051  185.128   27.158  156.826   16.607 28.30188 31.83337 
1 1 1  -27    9   18 o  208.352   17.134  798.845  107.243  835.189  220.546  787.590  122.729  208.419   29.939  208.286   16.671 0.1324615 34.26797 
1 1 1  -27    9   20 o  238.793   15.195  1028.90  116.732  1125.72  219.024  990.485  137.958  244.253   25.371  233.334   16.728 10.91904 30.38922 
1 1 1  -27    9   22 o  477.991   17.221  4277.78  271.685  4413.30  479.481  4213.69  329.724  478.056   28.377  477.927   19.519 0.1294556 34.44249 
1 1 1  -27    9   24 o   90.382   18.558  125.664   50.091  234.368  124.316  104.595   54.731  106.983   31.050   73.781   20.335 33.20257 37.11625 
1 1 1  -27    9   26 f  220.426   16.843  942.468  113.637  903.063  221.113  956.611  132.470  212.741   29.406  228.110   16.431 -15.36852 33.68530 
1 1 1  -27    9   28 o  321.338   18.977  2058.14  214.629  2060.53  317.499  2056.12  291.258  319.763   28.093  322.913   25.520 -3.149597 37.95322 
1 1 1  -27    9   30 o   59.336   17.921   27.342   52.556   38.613  127.691   25.043   57.668   68.493   29.396   50.179   20.507 18.31401 35.84221 
1 1 1  -27    9   32 o   96.739   20.270  159.220   62.132  319.185  143.061  122.034   68.976  116.545   33.152   76.933   23.334 39.61243 40.54050 
1 1 1  -27   10    1 o  137.179   21.110  380.802   82.299  345.905  186.968  389.189   91.656  128.352   38.303  146.006   17.761 -17.65413 42.22036 
1 1 1  -27   10    3 o  121.320   21.999  248.803   71.247  366.890  194.718  230.550   76.555  132.238   38.999  110.403   20.369 21.83439 43.99763 
1 1 1  -27   10    5 o   76.866   19.685   97.534   53.243   48.298  159.115  103.742   56.500   79.732   33.453   74.000   20.759 5.731636 39.37070 
1 1 1  -27   10    7 o  121.903   21.168  267.985   74.412  323.642  179.518  256.438   81.767  125.459   37.553  118.348   19.548 7.111786 42.33602 
1 1 1  -27   10    9 o  112.399   21.650  233.428   68.614  243.944  191.170  231.873   73.513  112.034   39.176  112.764   18.445 -0.7303009 43.30061 
1 1 1  -27   10   11 o  246.237   17.146  1141.67  129.638  1105.57  253.255  1154.48  150.908  240.261   29.823  252.213   16.929 -11.95152 34.29297 
1 1 1  -27   10   13 o   88.589   21.153  130.749   56.933  137.171  178.412  130.021   60.074   94.645   36.926   82.533   20.646 12.11221 42.30582 
1 1 1  -27   10   15 o  225.425   16.504  887.159  111.317  1064.24  238.095  837.624  125.928  236.051   28.538  214.799   16.587 21.25160 33.00837 
1 1 1  -27   10   17 o  166.721   18.013  489.737   84.985  607.476  188.857  459.842   95.165  174.489   31.794  158.953   16.939 15.53676 36.02510 
1 1 1  -27   10   19 o  105.806   19.144  117.037   51.494  428.324  160.605   81.369   54.365  145.279   32.130   66.333   20.823 78.94560 38.28765 
1 1 1  -27   10   21 o  316.022   18.056  1893.04  200.791  2026.41  301.494  1786.74  269.171  325.334   26.220  306.710   24.830 18.62424 36.11118 
1 1 1  -27   10   23 o  237.578   15.268  1005.34  113.454  1185.09  226.144  944.885  131.153  248.002   25.799  227.154   16.336 20.84752 30.53621 
1 1 1  -27   10   25 o  134.647   21.214  384.202   97.025  323.791  162.312  417.790  121.029  121.596   35.534  147.698   23.184 -26.10246 42.42813 
1 1 1  -27   10   27 o  344.593   15.947  2231.11  178.156  2460.83  328.988  2135.79  211.918  351.178   26.505  338.008   17.739 13.17026 31.89342 
1 1 1  -27   10   29 o  205.984   14.850  725.482   93.256  1031.44  199.991  640.472  105.418  226.739   24.955  185.228   16.102 41.51062 29.69947 
1 1 1  -27   10   31 o  148.689   20.508  475.781   82.617  481.645  189.069  474.397   91.850  138.898   37.595  158.479   16.398 -19.58032 41.01521 
1 1 1  -27   11    2 o   98.287   20.141  197.677   66.462  142.806  153.344  210.369   73.749   91.570   34.612  105.004   20.607 -13.43410 40.28185 
1 1 1  -27   11    4 f  213.281   16.265  826.848  122.608   0.0000   0.0000  826.848  122.608  ?   ?   213.281   16.265      ?      ? 
1 1 1  -27   11    6 o  148.493   20.876  381.397   79.172  515.626  208.389  358.754   85.590  156.679   38.017  140.308   17.259 16.37065 41.75171 
1 1 1  -27   11    8 o  142.609   21.649  447.079   86.943  315.508  198.061  478.484   96.765  123.039   39.872  162.180   16.881 -39.14135 43.29826 
1 1 1  -27   11   10 o  206.413   16.343  736.239  101.044  910.511  217.197  688.103  114.149  218.243   28.157  194.582   16.598 23.66171 32.68526 
1 1 1  -27   11   12 o  168.266   22.451  663.563  104.047  386.343  219.067  744.316  118.234  134.174   41.747  202.358   16.531 -68.18440 44.90121 
1 1 1  -27   11   14 o  157.011   22.501  487.584  117.726  499.993  197.795  480.777  146.500  154.778   36.712  159.243   26.029 -4.464951 45.00286 
1 1 1  -27   11   16 o  267.323   20.593  1405.25  188.684  1263.38  294.390  1504.16  245.810  252.373   33.004  282.272   24.638 -29.89960 41.18591 
1 1 1  -27   11   18 o  135.668   21.886  358.217   79.208  380.795  203.973  354.208   85.953  132.283   40.127  139.053   17.489 -6.769241 43.77282 
1 1 1  -27   11   20 o  299.445   24.518  1708.58  259.488   0.0000   0.0000  1708.58  259.488  ?   ?   299.445   24.518      ?      ? 
1 1 1  -27   11   22 o  198.549   13.472  543.360   79.647  1171.04  184.939  400.433   88.250  249.599   20.964  147.500   16.928 102.0995 26.94485 
1 1 1  -27   11   24 o  206.377   21.725  903.542  146.099  722.986  226.773  1031.66  191.025  181.373   36.636  231.382   23.358 -50.00839 43.44924 
1 1 1  -27   11   26 o   81.082   19.101   45.759   39.970  305.888  147.687   25.199   41.520  116.910   33.818   45.255   17.769 71.65417 38.20176 
1 1 1  -27   11   28 o  198.703   19.613  832.141  108.715  785.096  224.042  846.630  124.335  184.986   35.558  212.420   16.561 -27.43401 39.22566 
1 1 1  -27   11   30 f  128.710   38.648  428.742  189.919  428.742  189.919   0.0000   0.0000  128.710   38.648  ?   ?       ?      ? 
1 1 1  -27   12    1 o   63.260   18.973   13.792   70.584   58.887  120.202  -9.9415   87.202   72.515   29.618   54.005   23.720 18.50965 37.94529 
1 1 1  -27   12    3 o   72.572   17.437  102.394   52.322 -22.3529  130.160  126.436   57.142   64.104   28.528   81.040   20.058 -16.93650 34.87308 
1 1 1  -27   12    5 o   42.943   13.671  -1.6647   34.129 -257.2282  125.100   18.886   35.475   44.286   21.881   41.600   16.395 2.685799 27.34205 
1 1 1  -27   12    7 o  143.749   18.644  366.629   73.933  462.322  171.762  344.868   81.909  150.061   33.259  137.438   16.862 12.62296 37.28892 
1 1 1  -27   12    9 o   83.847   20.336  129.823   55.304   35.268  189.357  138.641   57.826   82.582   35.624   85.112   19.624 -2.529938 40.67106 
1 1 1  -27   12   11 o  305.750   16.757  1745.98  161.545  1789.57  307.364  1729.34  189.887  304.091   28.598  307.409   17.477 -3.318207 33.51499 
1 1 1  -27   12   13 o  208.383   16.617  759.210  102.747  932.749  223.148  712.520  115.746  219.175   28.806  197.592   16.574 21.58249 33.23354 
1 1 1  -27   12   15 o  255.196   17.335  1247.05  133.880  1210.56  266.273  1259.40  154.880  247.931   30.386  262.461   16.696 -14.52969 34.67097 
1 1 1  -27   12   17 o  412.576   16.807  3212.13  223.581  3276.11  409.371  3184.93  266.905  409.555   28.280  415.598   18.170 -6.042969 33.61456 
1 1 1  -27   12   19 o  247.601   16.707  1126.48  146.210   0.0000   0.0000  1126.48  146.210  ?   ?   247.601   16.707      ?      ? 
1 1 1  -27   12   21 o  269.997   15.602  1222.68  128.262  1742.39  276.174  1079.76  144.828  298.239   26.200  241.756   16.949 56.48309 31.20441 
1 1 1  -27   12   23 o  172.605   20.379  592.627   94.015  636.134  215.004  582.342  104.538  168.056   37.182  177.154   16.696 -9.097992 40.75826 
1 1 1  -27   12   25 o  103.823   21.107  232.606   65.265  178.359  201.910  238.935   68.968   94.778   38.511  112.867   17.288 -18.08974 42.21380 
1 1 1  -27   12   27 o  141.006   20.592  356.955   79.568  561.776  194.882  315.981   87.165  153.780   36.417  128.231   19.232 25.54922 41.18353 
1 1 1  -27   13    2 o   58.952   18.317  -6.0790   73.445 -33.2021  114.422   12.926   95.780   58.360   26.297   59.544   25.505 -1.183407 36.63366 
1 1 1  -27   13    4 f   77.411   18.995   81.477   49.341  178.257  125.711   63.853   53.646   94.490   31.809   60.332   20.772 34.15847 37.99064 
1 1 1  -27   13    6 o   91.766   20.238  146.016   59.853  207.288  142.629  132.920   65.939  100.972   33.882   82.561   22.141 18.41122 40.47525 
1 1 1  -27   13    8 o   72.624   19.154   79.165   45.767   76.905  150.462   79.396   48.044   80.366   33.016   64.882   19.429 15.48402 38.30840 
1 1 1  -27   13   10 o  242.493   14.001  976.465  109.867  1405.96  214.132  823.000  127.999  273.267   22.170  211.721   17.105 61.54596 28.00197 
1 1 1  -27   13   12 o  230.479   16.641  1009.79  119.086  1004.59  229.730  1011.71  139.257  226.120   28.745  234.837   16.778 -8.716217 33.28277 
1 1 1  -27   13   14 o  135.243   17.174  336.595   82.095   0.0000   0.0000  336.595   82.095  ?   ?   135.243   17.174      ?      ? 
1 1 1  -27   13   16 o  234.716   15.618  952.919  113.331  1244.89  234.727  864.167  129.415  252.827   26.268  216.604   16.904 36.22304 31.23682 
1 1 1  -27   13   18 o  184.817   16.510  629.896  107.849   0.0000   0.0000  629.896  107.849  ?   ?   184.817   16.510      ?      ? 
1 1 1  -27   13   20 o  184.906   16.210  632.149  105.942   0.0000   0.0000  632.149  105.942  ?   ?   184.906   16.210      ?      ? 
1 1 1  -27   13   22 o   66.471   19.782   47.747   38.414   63.112  189.741   47.090   39.226   81.240   35.351   51.702   17.765 29.53788 39.56315 
1 1 1  -27   13   24 f  175.310   17.092  512.870   83.816  803.807  205.556  454.852   91.793  194.914   29.838  155.705   16.680 39.20891 34.18345 
1 1 1  -27   13   26 o   81.384   19.213  144.114   55.824   32.126  178.977  156.183   58.755   74.241   33.215   88.526   19.321 -14.28484 38.42551 
1 1 1  -27   14    1 o   76.185   18.119  120.951   59.268 -22.2144  141.861  151.224   65.234   65.056   29.301   87.314   21.323 -22.25768 36.23792 
1 1 1  -27   14    3 o  152.143   31.366  488.965  163.063   0.0000   0.0000  488.965  163.063  ?   ?   152.143   31.366      ?      ? 
1 1 1  -27   14    5 o  101.727   20.524  205.312   68.855  226.238  146.198  199.347   78.054  103.053   34.300  100.402   22.547 2.651451 41.04726 
1 1 1  -27   14    7 o   53.228   24.601 -69.0273   11.193 -64.6800  108.721 -69.0739   11.253   53.228   24.601  ?   ?       ?      ? 
1 1 1  -27   14    9 o   51.298   15.860   15.820   39.939 -65.6597  121.855   25.626   42.275   56.700   26.149   45.895   17.956 10.80501 31.72053 
1 1 1  -27   14   11 o  189.894   19.598  756.370  107.365  635.843  206.917  800.776  125.595  171.665   35.282  208.124   17.074 -36.45877 39.19654 
1 1 1  -27   14   13 o  194.314   15.907  690.451   95.761  791.677  191.963  656.915  110.491  199.996   27.157  188.632   16.573 11.36339 31.81404 
1 1 1  -27   14   15 o  454.360   17.750  4016.41  262.574  4094.37  470.934  3981.25  316.302  448.721   29.694  459.999   19.455 -11.27814 35.49928 
1 1 1  -27   14   17 o   88.646   17.800   64.013   42.512  352.496  135.843   32.691   44.761  128.757   30.347   48.535   18.614 80.22209 35.60060 
1 1 1  -27   14   19 o   50.137   15.839   10.149   40.113 -77.0529  128.179   19.616   42.234   56.367   26.277   43.908   17.693 12.45879 31.67823 
1 1 1  -27   14   21 o  105.707   20.766  193.065   58.255  327.011  169.768  175.188   62.021  116.986   36.809   94.428   19.236 22.55826 41.53213 
1 1 1  -27   14   23 o  125.847   21.347  334.182   72.900  368.007  191.240  328.431   78.854  119.849   39.198  131.845   16.921 -11.99574 42.69475 
1 1 1  -27   14   25 o  118.808   18.053  127.468   66.512  710.665  180.458   35.788   71.550  182.197   28.023   55.420   22.768 126.7769 36.10622 
1 1 1  -27   15    2 o  113.596   19.335  265.554   70.148  273.245  141.199  263.034   80.829  109.810   33.403  117.382   19.483 -7.571793 38.66976 
1 1 1  -27   15    4 o   85.495   18.876  154.483   59.440  108.790  129.121  166.769   66.956   79.450   31.290   91.541   21.124 -12.09063 37.75299 
1 1 1  -27   15    6 o  139.312   20.504  403.784   84.967  403.729  176.012  403.801   97.020  132.360   36.461  146.264   18.767 -13.90359 41.00753 
1 1 1  -27   15    8 o   78.650   22.217  123.272   64.481   0.0000   0.0000  123.272   64.481  ?   ?    78.650   22.217      ?      ? 
1 1 1  -27   15   10 o   41.115   13.768  -5.7574   26.969 -117.7448  116.578   0.5747   27.721   50.091   23.863   32.139   13.742 17.95143 27.53697 
1 1 1  -27   15   12 o   71.533   16.969   14.063   80.560 -406.3680  141.360  216.287   98.038   41.170   20.763  101.895   26.846 -60.72467 33.93851 
1 1 1  -27   15   14 o  156.503   18.381  483.375   83.795  518.682  171.693  472.336   96.005  154.082   32.547  158.924   17.092 -4.841812 36.76191 
1 1 1  -27   15   16 o  349.891   16.982  2408.73  190.863  2456.29  349.408  2388.50  227.863  344.208   28.720  355.573   18.131 -11.36465 33.96468 
1 1 1  -27   15   18 o  111.038   32.625 -55.0734   10.271  280.369  136.499 -56.9835   10.300  111.038   32.625  ?   ?       ?      ? 
1 1 1  -27   15   20 f  126.400   22.388  401.571  113.426  177.711  188.391  528.861  142.059   91.536   37.197  161.264   24.924 -69.72852 44.77538 
1 1 1  -27   15   22 o   73.586   20.167  101.591   77.077   23.802  139.255  135.947   92.545   67.090   29.698   80.083   27.291 -12.99259 40.33327 
1 1 1  -27   16    1 o   37.085   16.088  -1.0940   39.057   0.0000   0.0000  -1.0940   39.057  ?   ?    37.085   16.088      ?      ? 
1 1 1  -27   16    3 o  152.678   19.673  510.974   91.196  447.708  169.863  536.595  108.096  137.760   34.858  167.597   18.248 -29.83699 39.34582 
1 1 1  -27   16    5 o   98.453   17.435  239.405   64.154   67.247  134.495  290.112   72.993   72.730   30.648  124.175   16.631 -51.44479 34.87008 
1 1 1  -27   16    7 o   66.214   15.721   82.490   56.378 -236.3682  140.918  143.253   61.516   47.985   23.615   84.443   20.758 -36.45708 31.44157 
1 1 1  -27   16    9 o   98.341   18.997  196.950   58.572  214.449  132.815  192.725   65.261   97.716   32.696   98.967   19.350 -1.251221 37.99320 
1 1 1  -27   16   11 o  160.409   15.128  430.226   76.927  686.332  157.218  349.609   88.208  185.298   24.006  135.521   18.415 49.77646 30.25555 
1 1 1  -27   16   13 o  190.258   16.381  715.591   96.731  723.822  186.018  712.541  113.247  185.763   28.332  194.754   16.452 -8.991196 32.76229 
1 1 1  -27   16   15 o   77.575   18.620   94.726   44.573  180.560  126.259   82.505   47.641   90.428   31.824   64.721   19.339 25.70641 37.23968 
1 1 1  -27   17    8 f   80.690   20.669  132.713   59.209   0.0000   0.0000  132.713   59.209  ?   ?    80.690   20.669      ?      ? 
1 1 1  -27   17   10 o   63.688   17.995   34.367   37.039  151.684  128.072   23.659   38.692   84.012   31.661   43.364   17.112 40.64759 35.98938 
1 1 1  -26    0   22 o  158.098   19.529  489.794  140.234  489.794  140.234  489.794  140.234  158.098   27.619  158.098   27.619 -0.000000 0.000000 
1 1 1  -26    0   24 o  364.073   18.041  2432.21  324.599  2432.21  324.599  2432.21  324.599  364.073   25.513  364.073   25.513 -0.000000 0.000000 
1 1 1  -26    0   26 o  272.259   17.305  1372.56  231.124  1372.56  231.124  1372.56  231.124  272.259   24.473  272.259   24.473 -0.000000 0.000000 
1 1 1  -26    0   28 o  392.734   12.729  2783.11  248.683  2783.11  248.683  2783.11  248.683  392.734   18.002  392.734   18.002 -0.000000 0.000000 
1 1 1  -26    0   30 o  220.419   11.844  885.751  128.764  885.751  128.764  885.751  128.764  220.419   16.751  220.419   16.751 -0.000000 0.000000 
1 1 1  -26    0   32 f   72.368   16.587  120.103   53.050  120.103   53.050  120.103   53.050   72.368   23.457   72.368   23.457 -0.000000 0.000000 
1 1 1  -26    0   34 o  234.876   11.975  1011.45  138.910  1011.45  138.910  1011.45  138.910  234.876   16.935  234.876   16.935 -0.000000 0.000000 
1 1 1  -26    0   36 o  378.608   12.387  2626.93  233.283  2626.93  233.283  2626.93  233.283  378.608   17.519  378.608   17.519 -0.000000 0.000000 
1 1 1  -26    0   38 o  372.012   12.665  2560.97  234.266  2560.97  234.266  2560.97  234.266  372.012   17.912  372.012   17.912 -0.000000 0.000000 
1 1 1  -26    1   21 o  392.424   25.932  2845.13  359.678   0.0000   0.0000  2845.13  359.678  ?   ?   392.424   25.932      ?      ? 
1 1 1  -26    1   23 o  361.941   18.002  2422.89  230.290  2434.43  326.299  2411.43  325.062  362.808   25.446  361.074   25.471 1.733887 36.00389 
1 1 1  -26    1   25 o   88.371   23.836  149.036   76.161  149.036   76.161   0.0000   0.0000   88.371   23.836  ?   ?       ?      ? 
1 1 1  -26    1   27 o  242.665   15.112  1125.02  119.187  1208.99  146.358  959.703  205.364  258.688   16.007  226.643   25.637 32.04512 30.22379 
1 1 1  -26    1   29 o  126.175   11.653  290.260   51.247  350.209   73.378  233.177   71.603  139.257   14.908  113.094   17.913 26.16232 23.30527 
1 1 1  -26    1   31 o   98.723   12.125  180.513   41.421  180.750   59.721  180.293   57.498   97.961   17.908   99.485   16.352 -1.524055 24.25085 
1 1 1  -26    1   33 o  267.101   11.933  1311.69  112.558  1375.61  159.522  1248.31  158.842  273.820   16.483  260.382   17.260 13.43839 23.86595 
1 1 1  -26    1   35 o  226.954   14.398  984.506  108.008  999.135  132.372  955.367  186.825  232.429   16.113  221.479   23.866 10.95004 28.79635 
1 1 1  -26    1   37 o  154.908   16.149  490.690   77.357  440.718  137.856  513.657   93.458  144.064   28.083  165.751   15.953 -21.68715 32.29765 
1 1 1  -26    2   18 o  328.575   24.564  1981.16  285.271   0.0000   0.0000  1981.16  285.271  ?   ?   328.575   24.564      ?      ? 
1 1 1  -26    2   20 o  467.254   27.478  4051.98  453.787   0.0000   0.0000  4051.98  453.787  ?   ?   467.254   27.478      ?      ? 
1 1 1  -26    2   22 o  257.053   23.657  1213.59  214.932   0.0000   0.0000  1213.59  214.932  ?   ?   257.053   23.657      ?      ? 
1 1 1  -26    2   24 o  152.521   17.521  440.286   90.995  504.727  126.632  371.488  130.843  166.110   21.569  138.932   27.618 27.17735 35.04276 
1 1 1  -26    2   26 o  260.504   24.073  1257.39  221.645  1257.39  221.645   0.0000   0.0000  260.504   24.073  ?   ?       ?      ? 
1 1 1  -26    2   28 o  294.769   15.420  1647.80  148.792  1735.53  182.577  1474.31  256.747  309.374   16.697  280.164   25.928 29.20929 30.83937 
1 1 1  -26    2   30 o  173.353   11.482  546.122   70.350  551.130   99.752  541.167   99.229  174.153   16.206  172.553   16.270 1.600067 22.96412 
1 1 1  -26    2   32 o  317.578   12.251  1851.23  137.506  1840.15  195.029  1862.20  193.900  316.560   17.431  318.595   17.219 -2.035797 24.50206 
1 1 1  -26    2   34 o  266.898   15.209  1360.07  133.171  1327.96  233.873  1375.48  161.998  260.943   25.358  272.854   16.798 -11.91119 30.41713 
1 1 1  -26    2   36 o  145.456   13.693  374.429   66.134  490.105  120.947  325.091   78.989  159.127   21.505  131.784   16.958 27.34335 27.38671 
1 1 1  -26    2   38 o  222.493   17.861  1020.41  140.094  965.448  200.390  1072.96  195.932  215.247   26.340  229.739   24.130 -14.49171 35.72177 
1 1 1  -26    3   15 o   94.505   24.905  169.728   84.360   0.0000   0.0000  169.728   84.360  ?   ?    94.505   24.905      ?      ? 
1 1 1  -26    3   17 o  315.084   24.293  1820.11  270.536   0.0000   0.0000  1820.11  270.536  ?   ?   315.084   24.293      ?      ? 
1 1 1  -26    3   19 o  203.268   23.118  755.909  166.088   0.0000   0.0000  755.909  166.088  ?   ?   203.268   23.118      ?      ? 
1 1 1  -26    3   21 o  633.868   22.738  7608.89  509.394  7667.28  719.593  7550.24  721.194  636.531   31.985  631.205   32.327 5.325012 45.47595 
1 1 1  -26    3   23 o  248.425   17.184  1148.33  148.796  1348.85  209.403  943.844  211.469  271.540   21.819  225.311   26.555 46.22913 34.36890 
1 1 1  -26    3   25 o  140.718   15.324  367.805   69.659  367.488   85.262  368.440  120.802  142.558   16.922  138.879   25.552 3.679459 30.64705 
1 1 1  -26    3   27 o   51.570   21.319   16.964   63.242   16.964   63.242   0.0000   0.0000   51.570   21.319  ?   ?       ?      ? 
1 1 1  -26    3   29 o  140.404   15.965  398.870   69.771  453.543   86.377  296.222  118.354  158.284   15.440  122.524   27.949 35.75964 31.92983 
1 1 1  -26    3   31 o   73.799   15.657   97.513   39.779  115.190   80.019   91.711   45.845   78.196   25.344   69.402   18.393 8.794151 31.31495 
1 1 1  -26    3   33 o  496.781   20.091  4621.06  352.773   0.0000   0.0000  4621.06  352.773  ?   ?   496.781   20.091      ?      ? 
1 1 1  -26    3   35 o  157.921   13.998  450.129   73.280  542.698  132.746  409.556   87.884  167.485   22.425  148.358   16.760 19.12645 27.99596 
1 1 1  -26    3   37 o  292.083   15.482  1672.89  148.891  1691.81  261.167  1663.78  181.227  287.685   25.685  296.482   17.294 -8.796326 30.96478 
1 1 1  -26    4   12 o  332.715   24.548  2028.30  288.678   0.0000   0.0000  2028.30  288.678  ?   ?   332.715   24.548      ?      ? 
1 1 1  -26    4   14 o  516.429   28.608  4952.67  522.173   0.0000   0.0000  4952.67  522.173  ?   ?   516.429   28.608      ?      ? 
1 1 1  -26    4   16 o  196.693   22.981  706.656  159.763   0.0000   0.0000  706.656  159.763  ?   ?   196.693   22.981      ?      ? 
1 1 1  -26    4   18 o  509.234   20.248  4832.21  364.214  5007.80  514.344  4655.61  515.813  519.057   28.036  499.411   29.222 19.64609 40.49649 
1 1 1  -26    4   20 o  379.770   17.685  2660.00  236.908  2459.34  333.321  2864.85  336.781  364.749   25.855  394.792   24.136 -30.04276 35.36985 
1 1 1  -26    4   22 o  272.210   14.619  1370.28  131.639  1411.17  161.707  1289.96  226.661  279.863   16.348  264.556   24.240 15.30722 29.23777 
1 1 1  -26    4   24 o  502.991   17.538  4766.89  290.448  4924.78  356.061  4452.90  502.123  520.217   19.365  485.765   29.246 34.45270 35.07600 
1 1 1  -26    4   26 o  460.294   17.855  4140.41  265.040  4505.39  325.466  3421.87  456.662  497.504   18.509  423.083   30.539 74.42123 35.70990 
1 1 1  -26    4   28 o  462.297   19.044  4052.12  309.414  4567.53  441.317  3553.81  433.932  493.042   25.325  431.553   28.449 61.48898 38.08804 
1 1 1  -26    4   30 o  260.227   15.366  1282.31  129.231  1203.71  231.007  1318.11  155.911  251.454   25.992  269.001   16.398 -17.54778 30.73298 
1 1 1  -26    4   32 o  408.199   15.758  3072.26  214.509  3378.22  377.027  2925.81  260.841  418.859   25.467  397.539   18.564 21.32010 31.51533 
1 1 1  -26    4   34 o  171.989   15.645  571.837   84.956  554.302  158.349  578.924  100.672  166.934   26.838  177.045   16.088 -10.11086 31.29071 
1 1 1  -26    4   36 o  202.648   15.302  795.955   99.914  810.045  182.334  789.909  119.443  199.920   25.804  205.376   16.455 -5.455719 30.60422 
1 1 1  -26    5    1 o  428.510   27.385  3405.19  414.751  3405.19  414.751   0.0000   0.0000  428.510   27.385  ?   ?       ?      ? 
1 1 1  -26    5    5 o  235.014   25.481  1015.81  211.657  1015.81  211.657   0.0000   0.0000  235.014   25.481  ?   ?       ?      ? 
1 1 1  -26    5    7 o  159.884   28.700  487.025  156.224  487.025  156.224   0.0000   0.0000  159.884   28.700  ?   ?       ?      ? 
1 1 1  -26    5    9 o  307.683   16.649  1723.19  179.781  2022.27  262.881  1460.39  246.415  333.179   22.323  282.186   24.707 50.99243 33.29787 
1 1 1  -26    5   11 o  545.700   20.441  5535.50  393.777  5890.01  561.333  5192.01  552.541  563.571   28.181  527.829   29.618 35.74280 40.88227 
1 1 1  -26    5   13 o  303.851   17.561  1695.23  188.339  1688.81  273.212  1701.05  259.984  302.989   25.512  304.713   24.140 -1.724213 35.12294 
1 1 1  -26    5   15 o  455.911   16.139  3796.27  245.445  3797.18  301.507  3794.48  422.615  458.468   18.607  453.355   26.375 5.113342 32.27735 
1 1 1  -26    5   17 o  366.152   15.737  2503.89  189.916  2620.86  233.722  2276.56  325.833  381.321   17.342  350.982   26.266 30.33939 31.47417 
1 1 1  -26    5   19 o  152.297   15.805  440.129   77.947  466.259   97.390  393.558  130.016  160.810   17.135  143.785   26.562 17.02449 31.60923 
1 1 1  -26    5   21 o  254.813   14.917  1208.62  125.388  1257.56  154.132  1112.85  215.609  264.148   16.509  245.478   24.850 18.66946 29.83447 
1 1 1  -26    5   23 o  335.016   17.714  2084.47  209.265  2229.22  294.933  1937.72  296.969  347.382   24.021  322.651   26.041 24.73099 35.42820 
1 1 1  -26    5   25 o   55.919   16.151   23.680   47.008   39.156   85.637   17.006   56.238   62.628   25.209   49.209   20.197 13.41890 32.30217 
1 1 1  -26    5   27 o  231.714   25.161  1006.72  206.060  1006.72  206.060   0.0000   0.0000  231.714   25.161  ?   ?       ?      ? 
1 1 1  -26    5   29 o  531.412   16.564  5079.41  296.269  6011.39  518.766  4628.31  360.917  562.451   26.096  500.373   20.408 62.07779 33.12782 
1 1 1  -26    5   31 o  376.728   15.178  2571.30  190.405  2933.02  338.518  2403.91  230.285  392.292   24.415  361.164   18.040 31.12775 30.35670 
1 1 1  -26    5   33 o  148.383   15.059  399.430   71.036  462.497  137.293  376.374   83.011  153.955   25.231  142.811   16.446 11.14365 30.11768 
1 1 1  -26    5   35 o  296.933   15.295  1671.03  148.613  1813.42  268.947  1608.44  178.309  301.042   25.277  292.824   17.228 8.218170 30.58958 
1 1 1  -26    5   37 o   68.301   16.357   95.176   42.937   36.227  108.892  106.028   46.722   63.538   27.204   73.065   18.169 -9.526714 32.71375 
1 1 1  -26    6    2 o  232.821   24.209  995.453  199.217   0.0000   0.0000  995.453  199.217  ?   ?   232.821   24.209      ?      ? 
1 1 1  -26    6    4 o   87.537   20.102  140.723   71.526  114.923  110.654  159.239   93.742   83.260   29.740   91.814   27.054 -8.553612 40.20416 
1 1 1  -26    6    6 f  114.698   20.435  265.622   82.707  192.160  137.225  307.532  103.649  101.648   33.202  127.748   23.832 -26.10023 40.87018 
1 1 1  -26    6    8 o  182.226   19.367  639.481  117.592  501.961  174.493  753.899  159.163  161.057   31.782  203.395   22.140 -42.33768 38.73347 
1 1 1  -26    6   10 o   65.786   17.466   62.199   53.046   46.635   93.854   69.505   64.302   66.595   26.534   64.978   22.721 1.617638 34.93226 
1 1 1  -26    6   12 o  359.959   15.190  2315.41  184.319  2220.94  226.723  2499.53  316.531  350.754   18.288  369.164   24.259 -18.40927 30.38047 
1 1 1  -26    6   14 o  322.720   14.147  1883.79  153.254  1872.86  189.127  1904.70  261.532  322.649   16.584  322.790   22.924 -0.1404419 28.29383 
1 1 1  -26    6   16 o  354.189   17.768  2313.01  222.163  2429.52  313.421  2195.35  314.958  363.578   24.390  344.799   25.844 18.77884 35.53587 
1 1 1  -26    6   18 o  619.698   19.602  7318.48  398.575  7661.21  489.375  6643.19  686.932  648.177   21.361  591.219   32.873 56.95758 39.20416 
1 1 1  -26    6   20 o  467.302   19.495  4072.06  321.888  4210.46  461.220  3940.63  449.444  475.133   27.465  459.471   27.676 15.66238 38.99031 
1 1 1  -26    6   22 o  367.523   25.410  2508.45  330.072   0.0000   0.0000  2508.45  330.072  ?   ?   367.523   25.410      ?      ? 
1 1 1  -26    6   24 o   99.153   19.756  187.628   70.443  204.886  115.732  177.471   88.785  102.469   30.022   95.837   25.688 6.631599 39.51215 
1 1 1  -26    6   26 o   51.594   15.030   26.351   36.209 -20.1054   93.256   34.598   39.292   55.023   24.333   48.165   17.650 6.857315 30.05998 
1 1 1  -26    6   28 o  289.092   17.283  1568.53  176.336  1687.46  256.308  1461.66  242.980  299.642   24.201  278.542   24.681 21.09985 34.56659 
1 1 1  -26    6   30 o   91.064   17.388  157.674   49.450  163.640  110.824  156.191   55.256   91.367   29.838   90.760   17.861 0.6062622 34.77510 
1 1 1  -26    6   32 o  134.089   16.457  335.217   65.907  379.053  133.340  321.045   75.815  136.091   28.628  132.088   16.240 4.002930 32.91366 
1 1 1  -26    6   34 o  226.747   14.890  974.240  108.791  1021.84  200.541  954.391  129.504  226.873   25.009  226.621   16.168 0.2522125 29.78041 
1 1 1  -26    6   36 o  167.560   18.343  608.859   89.667  510.883  169.571  646.889  105.645  149.608   32.958  185.512   16.112 -35.90355 36.68579 
1 1 1  -26    7    1 o  237.778   15.199  1002.84  115.428  1100.84  219.780  965.508  135.641  244.052   25.479  231.504   16.577 12.54814 30.39721 
1 1 1  -26    7    3 o  240.888   17.627  1155.46  128.781  883.546  239.174  1266.48  152.826  216.473   31.260  265.302   16.298 -48.82838 35.25361 
1 1 1  -26    7    5 o  173.135   16.629  539.553  101.761   0.0000   0.0000  539.553  101.761  ?   ?   173.135   16.629      ?      ? 
1 1 1  -26    7    7 o  171.385   11.859  530.995   71.490  480.201  102.272  579.530   99.971  163.150   17.736  179.620   15.747 -16.46970 23.71765 
1 1 1  -26    7    9 o  133.490   12.771  325.283   59.535  287.001   87.551  358.211   81.198  125.837   19.685  141.142   16.277 -15.30509 25.54271 
1 1 1  -26    7   11 o  172.954   13.869  512.126   82.222  678.053  138.380  421.579  102.224  193.264   20.258  152.645   18.948 40.61972 27.73819 
1 1 1  -26    7   13 o  201.475   14.317  715.786   97.302  669.213  119.205  808.770  168.436  192.622   17.509  210.327   22.658 -17.70589 28.63478 
1 1 1  -26    7   15 o   80.471   17.829  120.571   51.859   91.401  109.483  129.009   58.883   78.265   29.316   82.677   20.300 -4.412064 35.65836 
1 1 1  -26    7   17 o  335.014   14.548  1973.30  162.517  2256.08  288.867  1842.34  196.579  350.579   23.313  319.449   17.411 31.12985 29.09657 
1 1 1  -26    7   19 o  228.746   14.163  907.835  106.757  1077.56  195.612  835.835  127.405  242.257   22.845  215.236   16.747 27.02063 28.32651 
1 1 1  -26    7   21 o  225.483   16.286  917.575  129.796   0.0000   0.0000  917.575  129.796  ?   ?   225.483   16.286      ?      ? 
1 1 1  -26    7   23 o  149.261   18.160  397.244   91.270  547.726  151.790  312.026  114.226  171.445   25.049  127.076   26.299 44.36896 36.31939 
1 1 1  -26    7   25 o  220.004   17.543  906.027  135.845  901.011  200.937  910.249  184.360  218.855   25.977  221.153   23.586 -2.297867 35.08686 
1 1 1  -26    7   27 o  128.978   18.676  353.640   72.354  255.121  143.908  386.970   83.703  112.036   33.643  145.919   16.230 -33.88315 37.35265 
1 1 1  -26    7   29 o  277.841   15.032  1429.40  135.647  1472.84  246.548  1410.54  162.443  277.901   25.101  277.782   16.545 0.1192932 30.06339 
1 1 1  -26    7   31 o  215.540   15.228  877.265  104.260  881.231  194.856  875.675  123.412  212.690   25.921  218.390   15.988 -5.700806 30.45505 
1 1 1  -26    7   33 o  169.563   16.195  533.529   97.061   0.0000   0.0000  533.529   97.061  ?   ?   169.563   16.195      ?      ? 
1 1 1  -26    7   35 o  308.223   15.837  1858.74  158.847  1923.50  285.943  1829.84  191.036  305.576   26.475  310.870   17.387 -5.294250 31.67392 
1 1 1  -26    8    2 o   69.307   17.475   85.328   52.304 -147.7363  157.987  114.017   55.430   60.871   28.632   77.744   20.044 -16.87236 34.95073 
1 1 1  -26    8    4 o  351.606   12.361  2237.08  153.230  2124.57  220.647  2341.88  212.958  342.728   18.215  360.484   16.714 -17.75562 24.72150 
1 1 1  -26    8    6 o  209.758   13.986  787.635   99.478  838.153  168.140  760.428  123.391  214.134   22.216  205.382   16.998 8.751801 27.97300 
1 1 1  -26    8    8 o   45.117   12.490   21.001   29.366   33.624   41.440   8.2681   41.619   48.712   18.077   41.522   17.240 7.189625 24.98028 
1 1 1  -26    8   10 o   83.075   15.300  149.166   61.864 -209.3390  142.283  232.741   68.698   52.532   25.371  113.618   17.107 -61.08574 30.59947 
1 1 1  -26    8   12 o  381.012   16.583  2698.22  204.862  2571.24  366.605  2755.88  247.031  371.467   27.923  390.557   17.896 -19.09039 33.16523 
1 1 1  -26    8   14 o  117.610   18.194  271.892   65.290  234.063  133.249  283.844   74.896  109.753   32.231  125.467   16.889 -15.71384 36.38766 
1 1 1  -26    8   16 o  334.612   15.911  2078.60  173.194  1979.93  308.178  2124.16  209.389  326.268   26.724  342.957   17.274 -16.68890 31.82113 
1 1 1  -26    8   18 o  410.113   16.574  3119.44  222.959  3033.70  392.957  3160.14  270.763  402.714   27.608  417.512   18.348 -14.79758 33.14878 
1 1 1  -26    8   20 o  214.730   14.698  788.803  101.641  981.648  195.804  717.672  118.918  230.264   24.059  199.195   16.891 31.06960 29.39597 
1 1 1  -26    8   22 o  325.014   18.737  1993.20  213.753  1850.30  312.907  2118.24  292.689  312.685   28.313  337.343   24.548 -24.65790 37.47302 
1 1 1  -26    8   24 o  186.769   14.904  583.677   87.494  779.754  177.720  520.949  100.520  204.142   24.631  169.396   16.789 34.74629 29.80885 
1 1 1  -26    8   26 o  254.709   14.810  1167.29  123.128  1292.00  225.975  1114.63  146.840  262.040   24.399  247.378   16.794 14.66171 29.62028 
1 1 1  -26    8   28 o  303.126   14.443  1647.80  142.575  1871.49  264.110  1555.80  169.375  314.450   23.764  291.803   16.423 22.64761 28.88618 
1 1 1  -26    8   30 o  226.346   14.826  927.952  106.198  1053.42  206.001  882.540  123.936  233.412   24.970  219.279   15.991 14.13228 29.65201 
1 1 1  -26    8   32 o  122.844   17.663  301.008   62.488  303.883  135.011  300.224   70.493  118.241   31.671  127.448   15.649 -9.206398 35.32591 
1 1 1  -26    8   34 o  153.428   15.815  413.669   72.141  567.493  158.986  373.785   80.955  165.649   27.155  141.208   16.221 24.44168 31.63065 
1 1 1  -26    9    1 o  262.397   15.160  1228.93  125.084  1333.80  243.458  1191.32  145.799  267.774   25.724  257.021   16.050 10.75369 30.32008 
1 1 1  -26    9    3 o  169.249   19.884  570.762   93.668  496.263  196.559  592.651  106.544  157.266   36.123  181.231   16.633 -23.96449 39.76818 
1 1 1  -26    9    5 o  190.104   15.958  578.589   90.168  830.316  202.206  516.112  100.738  211.087   27.103  169.122   16.853 41.96405 31.91506 
1 1 1  -26    9    7 o  255.657   17.220  1186.08  154.216  1354.74  238.315  1064.57  202.277  270.804   24.899  240.509   23.795 30.29494 34.44080 
1 1 1  -26    9    9 o  376.898   15.272  2537.80  188.455  2752.06  342.866  2445.05  225.587  385.843   25.142  367.953   17.346 17.89047 30.54486 
1 1 1  -26    9   11 o  266.398   14.583  1193.54  123.591  1530.57  244.529  1077.91  143.232  288.273   24.000  244.522   16.573 43.75101 29.16590 
1 1 1  -26    9   13 o  360.976   15.599  2333.45  184.633  2530.41  334.918  2247.46  221.298  369.455   25.648  352.498   17.762 16.95740 31.19825 
1 1 1  -26    9   15 o  382.426   15.543  2624.44  195.158  2833.86  352.783  2532.09  234.268  390.799   25.541  374.053   17.720 16.74646 31.08578 
1 1 1  -26    9   17 o  338.904   15.998  2119.28  174.875  2096.63  318.870  2129.03  209.130  334.798   26.947  343.010   17.250 -8.211914 31.99532 
1 1 1  -26    9   19 f  243.487   15.692  1065.97  119.786  1148.72  233.654  1036.47  139.515  247.551   26.705  239.423   16.487 8.127945 31.38391 
1 1 1  -26    9   21 o  478.874   28.081  4343.96  475.287   0.0000   0.0000  4343.96  475.287  ?   ?   478.874   28.081      ?      ? 
1 1 1  -26    9   23 o  190.053   14.056  560.346   83.540  908.865  175.588  458.371   94.979  221.300   22.449  158.805   16.922 62.49533 28.11208 
1 1 1  -26    9   25 o  294.742   15.207  1573.77  145.048  1717.55  269.233  1514.97  172.169  301.232   25.288  288.252   16.899 12.98029 30.41446 
1 1 1  -26    9   27 o  104.761   19.524  208.620   61.316  230.975  144.189  203.685   67.746  106.035   33.984  103.488   19.229 2.546494 39.04742 
1 1 1  -26    9   29 o  114.363   21.755  290.913   91.719  190.054  158.445  341.742  112.480   97.529   35.488  131.197   25.172 -33.66704 43.50924 
1 1 1  -26    9   31 o  199.742   13.680  645.519   84.834  1007.69  179.657  541.592   96.239  228.434   22.252  171.049   15.919 57.38402 27.35961 
1 1 1  -26    9   33 o  151.265   17.802  456.380   78.247  486.220  160.363  447.056   89.643  148.178   31.585  154.351   16.432 -6.173065 35.60360 
1 1 1  -26   10    2 o  133.287   20.812  422.563   84.566  181.006  186.027  485.484   94.943  102.670   38.262  163.904   16.389 -61.23431 41.62426 
1 1 1  -26   10    4 o  297.113   15.407  1570.08  142.884  1730.28  282.247  1514.88  165.682  304.510   26.224  289.715   16.180 14.79510 30.81432 
1 1 1  -26   10    6 o  268.202   14.438  1220.98  123.329  1533.16  242.593  1112.18  143.217  288.142   23.820  248.262   16.322 39.88074 28.87578 
1 1 1  -26   10    8 o  140.879   19.606  368.255   76.226  394.939  175.282  362.032   84.650  140.205   35.373  141.554   16.919 -1.348541 39.21127 
1 1 1  -26   10   10 o  275.059   15.001  1291.37  129.094  1591.26  260.410  1193.67  148.644  292.902   25.154  257.215   16.350 35.68713 30.00139 
1 1 1  -26   10   12 o  148.714   21.115  475.047   89.582  335.189  189.845  515.108  101.605  128.637   38.644  168.792   17.031 -40.15475 42.23030 
1 1 1  -26   10   14 o  262.831   15.651  1235.64  130.319  1348.91  250.896  1193.78  152.505  268.705   26.418  256.957   16.792 11.74863 31.30300 
1 1 1  -26   10   16 o  228.171   13.893  810.607   99.971  1290.65  206.614  663.868  114.233  264.825   22.074  191.518   16.876 73.30687 27.78586 
1 1 1  -26   10   18 o  214.787   17.710  848.321  112.831  883.922  236.046  837.777  128.457  214.566   31.125  215.007   16.904 -0.4407806 35.41926 
1 1 1  -26   10   20 f  375.793   25.647  2652.01  340.644   0.0000   0.0000  2652.01  340.644  ?   ?   375.793   25.647      ?      ? 
1 1 1  -26   10   22 o   57.443   16.239   42.855   42.456 -67.5423  120.566   58.483   45.362   57.273   26.265   57.613   19.103 -0.3394051 32.47699 
1 1 1  -26   10   24 o  333.847   15.961  2074.01  171.431  2111.51  315.538  2058.31  204.197  332.101   26.882  335.593   17.215 -3.492432 31.92193 
1 1 1  -26   10   26 o  270.216   16.561  1403.71  142.140  1330.81  261.331  1434.34  169.387  260.918   28.338  279.513   17.146 -18.59491 33.12117 
1 1 1  -26   10   28 o  284.779   13.758  1358.79  127.370  1956.00  245.961  1139.96  148.888  321.103   21.672  248.455   16.955 72.64790 27.51631 
1 1 1  -26   10   30 o  253.717   18.391  1281.56  164.138  1310.62  244.926  1257.88  221.143  254.993   27.176  252.441   24.785 2.552109 36.78107 
1 1 1  -26   10   32 o  195.007   15.924  702.754   93.110  847.510  197.016  661.125  105.654  201.991   27.596  188.022   15.899 13.96906 31.84836 
1 1 1  -26   11    1 o   83.850   19.823  124.258   59.738  120.019  136.566  125.262   66.430   86.688   32.688   81.012   22.433 5.675560 39.64532 
1 1 1  -26   11    3 o  146.085   18.897  393.190   77.059  433.677  172.134  383.042   86.176  146.771   33.870  145.400   16.769 1.371002 37.79426 
1 1 1  -26   11    5 o   80.414   15.607  139.520   62.032 -305.9078  165.489  212.336   66.910   52.648   25.847  108.180   17.500 -55.53124 31.21349 
1 1 1  -26   11    7 o  237.238   16.551  1044.50  119.695  1033.49  238.075  1048.22  138.468  233.647   28.829  240.829   16.268 -7.182083 33.10231 
1 1 1  -26   11    9 o   84.137   19.353  139.943   59.270   10.398  163.301  159.597   63.608   76.497   33.040   91.776   20.160 -15.27853 38.70522 
1 1 1  -26   11   11 o  188.828   16.538  615.505   92.517  745.214  201.285  580.762  104.173  198.445   28.698  179.210   16.446 19.23517 33.07646 
1 1 1  -26   11   13 o  166.940   17.187  420.133   78.453  692.678  201.988  371.713   85.137  190.614   29.981  143.266   16.813 47.34741 34.37396 
1 1 1  -26   11   15 o  131.421   21.800  394.992   82.785  214.643  205.900  429.769   90.415  108.808   40.312  154.034   16.607 -45.22581 43.59908 
1 1 1  -26   11   17 o  325.971   15.599  1923.31  163.052  2064.89  306.315  1867.33  192.607  331.242   26.164  320.701   16.992 10.54108 31.19763 
1 1 1  -26   11   19 o  221.307   16.508  889.338  129.125   0.0000   0.0000  889.338  129.125  ?   ?   221.307   16.508      ?      ? 
1 1 1  -26   11   21 o  207.567   15.252  715.215   95.784  976.457  207.096  644.124  108.033  226.919   25.821  188.215   16.240 38.70450 30.50373 
1 1 1  -26   11   23 o  382.507   15.187  2606.86  190.689  3075.76  350.873  2410.32  227.166  402.567   24.660  362.446   17.733 40.12128 30.37379 
1 1 1  -26   11   25 o  145.528   19.906  428.671   78.618  407.421  179.514  433.714   87.451  137.136   36.422  153.920   16.075 -16.78394 39.81161 
1 1 1  -26   11   27 o  171.653   18.431  580.341   91.771  587.332  185.979  578.091  105.511  166.521   32.766  176.785   16.886 -10.26389 36.86124 
1 1 1  -26   11   29 o  155.053   20.761  576.967   90.505  365.019  185.709  642.986  103.646  123.843   38.422  186.263   15.744 -62.42001 41.52254 
1 1 1  -26   11   31 o  180.661   19.038  669.959   94.555  684.411  203.573  665.984  106.771  172.801   34.539  188.520   16.024 -15.71890 38.07507 
1 1 1  -26   12    2 o  187.257   16.276  636.325  107.722   0.0000   0.0000  636.325  107.722  ?   ?   187.257   16.276      ?      ? 
1 1 1  -26   12    4 o  124.225   19.606  268.263   68.392  352.264  163.729  250.508   75.274  131.260   34.747  117.189   18.173 14.07124 39.21238 
1 1 1  -26   12    6 o   75.753   19.662   64.883   46.108  160.319  144.780   54.112   48.640   94.618   33.995   56.887   19.768 37.73172 39.32451 
1 1 1  -26   12    8 o   84.462   19.565  121.382   51.765  128.738  145.882  120.322   55.368   89.380   33.765   79.545   19.778 9.835045 39.13086 
1 1 1  -26   12   10 o  145.452   18.283  292.874   64.897  592.151  191.719  254.145   68.968  172.485   32.644  118.419   16.478 54.06657 36.56681 
1 1 1  -26   12   12 o  284.985   16.936  1537.02  149.831  1459.51  286.428  1566.21  175.803  276.262   29.334  293.709   16.935 -17.44681 33.87170 
1 1 1  -26   12   14 o  202.318   17.263  738.845  104.740  818.411  219.026  715.255  119.260  206.253   30.045  198.383   17.009 7.870819 34.52544 
1 1 1  -26   12   16 o  126.235   20.050  198.848   60.480  523.435  190.676  162.538   63.773  160.113   34.696   92.357   20.107 67.75600 40.10089 
1 1 1  -26   12   18 o   74.207   20.000   55.828   43.143  157.397  157.515   47.590   44.859   94.603   35.217   53.812   18.966 40.79054 39.99959 
1 1 1  -26   12   20 o  220.090   18.278  897.321  137.881  1032.75  230.038  821.386  172.251  231.184   28.153  208.996   23.319 22.18781 36.55606 
1 1 1  -26   12   22 o  326.781   16.415  1986.81  170.065  2096.45  322.963  1944.74  200.047  328.203   27.841  325.359   17.396 2.843567 32.82926 
1 1 1  -26   12   24 o  268.929   15.459  1223.69  127.320  1684.15  270.182  1092.25  144.353  294.292   25.975  243.567   16.768 50.72487 30.91737 
1 1 1  -26   12   26 o  203.084   18.918  836.395  106.548  792.714  223.818  849.195  121.157  191.685   34.295  214.483   15.982 -22.79852 37.83624 
1 1 1  -26   12   28 o  189.987   18.220  648.795   97.183  864.825  228.901  601.293  107.337  200.741   32.262  179.234   16.944 21.50644 36.44083 
1 1 1  -26   12   30 o  238.274   19.548  1138.49  160.212  1432.85  266.861  972.611  200.333  259.247   29.124  217.301   26.084 41.94644 39.09690 
1 1 1  -26   13    1 o  153.814   21.958  476.506  115.197  516.769  166.930  439.899  159.172  160.451   30.551  147.177   31.547 13.27386 43.91595 
1 1 1  -26   13    3 o   86.779   20.084  119.200   54.928  186.775  143.884  107.672   59.429   98.455   34.012   75.102   21.369 23.35328 40.16745 
1 1 1  -26   13    5 o  128.456   18.596  319.594   70.331  315.796  147.671  320.708   79.985  124.268   33.048  132.645   17.061 -8.376579 37.19206 
1 1 1  -26   13    7 o  115.466   19.051  232.345   65.581  324.181  143.016  207.893   73.797  126.451   31.979  104.481   20.716 21.96963 38.10239 
1 1 1  -26   13    9 o  180.070   22.119  670.553  128.033  533.295  210.795  750.788  161.167  159.399   37.960  200.742   22.715 -41.34264 44.23715 
1 1 1  -26   13   11 o   77.625   17.716  125.148   56.317 -85.8153  155.628  156.937   60.412   64.404   29.647   90.846   19.404 -26.44157 35.43291 
1 1 1  -26   13   13 o  299.460   16.659  1632.58  176.317   0.0000   0.0000  1632.58  176.317  ?   ?   299.460   16.659      ?      ? 
1 1 1  -26   13   15 o  291.428   15.820  1570.27  146.794  1621.81  275.919  1549.93  173.364  291.337   26.796  291.518   16.826 -0.1806030 31.64043 
1 1 1  -26   13   17 o  120.873   21.518  306.292   70.058  244.036  200.046  314.995   74.795  110.263   39.913  131.483   16.095 -21.22000 43.03603 
1 1 1  -26   13   19 o   94.121   24.581  174.842   82.661   0.0000   0.0000  174.842   82.661  ?   ?    94.121   24.581      ?      ? 
1 1 1  -26   13   21 o  334.604   15.729  2027.85  168.917  2346.14  321.496  1906.48  198.528  347.711   26.160  321.496   17.471 26.21567 31.45772 
1 1 1  -26   13   23 o  403.696   19.858  3235.26  282.023  3400.89  423.016  3102.74  378.387  411.258   29.102  396.133   27.026 15.12518 39.71528 
1 1 1  -26   13   25 o  184.089   19.395  651.825  121.063  804.402  209.282  575.094  148.414  197.247   30.019  170.931   24.566 26.31612 38.78992 
1 1 1  -26   13   27 o   70.399   18.141   95.311   48.667 -39.7298  165.803  108.042   50.909   66.921   30.730   73.877   19.289 -6.955544 36.28231 
1 1 1  -26   13   29 o  139.582   22.669  485.673   89.513  368.713  222.834  508.178   97.746  115.438   42.073  163.725   16.891 -48.28715 45.33740 
1 1 1  -26   14    2 o   83.047   19.526   91.517   84.026 -80.8044  121.676  248.609  116.175   55.666   25.832  110.428   29.287 -54.76175 39.05165 
1 1 1  -26   14    4 f   69.254   17.679   34.343   40.564  179.666  116.675   14.362   43.263   95.115   30.580   43.393   17.751 51.72226 35.35828 
1 1 1  -26   14    6 o  125.688   19.478  334.645   74.620  257.314  152.895  358.824   85.494  111.426   34.911  139.951   17.284 -28.52407 38.95509 
1 1 1  -26   14    8 o  107.620   19.481  267.881   73.202   90.061  164.934  311.501   81.688   84.931   34.692  130.309   17.736 -45.37801 38.96277 
1 1 1  -26   14   10 o  103.402   20.999  205.270   74.126   0.0000   0.0000  205.270   74.126  ?   ?   103.402   20.999      ?      ? 
1 1 1  -26   14   12 o  188.197   19.239  712.696  102.165  640.743  208.170  735.525  117.257  175.742   34.745  200.654   16.534 -24.91187 38.47846 
1 1 1  -26   14   14 o  568.070   16.895  5897.98  320.287  6815.39  567.975  5470.23  387.833  593.804   27.062  542.336   20.233 51.46838 33.78967 
1 1 1  -26   14   16 o  132.384   19.317  342.553   74.180  352.679  160.127  339.786   83.704  128.870   34.479  135.898   17.427 -7.027618 38.63305 
1 1 1  -26   14   18 o   60.967   20.968   65.609   54.655   0.0000   0.0000   65.609   54.655  ?   ?    60.967   20.968      ?      ? 
1 1 1  -26   14   20 o  236.875   15.754  1043.32  117.997  1134.26  226.429  1009.42  138.254  239.960   26.698  233.790   16.731 6.170090 31.50713 
1 1 1  -26   14   22 o  149.962   22.733  505.100  112.533  400.327  195.663  556.887  137.561  130.321   39.250  169.602   22.948 -39.28050 45.46596 
1 1 1  -26   14   24 o  227.890   16.074  988.838  112.834  1070.77  224.118  961.021  130.593  228.697   27.727  227.082   16.271 1.614670 32.14820 
1 1 1  -26   14   26 o   80.911   19.052  117.931   47.724  154.487  140.513  113.164   50.741   86.359   33.014   75.463   19.028 10.89567 38.10469 
1 1 1  -26   15    1 o   53.321   15.279   32.499   43.086 -96.3925  108.452   56.654   46.950   49.998   23.580   56.644   19.436 -6.645588 30.55799 
1 1 1  -26   15    3 o  192.652   20.365  739.822  138.468  745.503  201.416  734.731  190.671  192.765   29.563  192.538   28.019 0.2271729 40.73091 
1 1 1  -26   15    5 o   64.921   17.023   26.035   35.340  161.142  110.643   10.685   37.293   90.030   29.833   39.811   16.406 50.21846 34.04669 
1 1 1  -26   15    7 o   91.893   16.144   77.916   45.271  358.752  118.422   29.849   48.993  134.419   25.865   49.367   19.325 85.05170 32.28725 
1 1 1  -26   15    9 o   90.996   17.417  190.052   63.501  -3.5389  140.796  239.486   71.148   68.099   30.018  113.894   17.674 -45.79529 34.83443 
1 1 1  -26   15   11 o   71.526   17.750   96.766   53.224  -7.1945  129.601  117.857   58.374   65.175   28.760   77.876   20.810 -12.70137 35.49969 
1 1 1  -26   15   13 o  217.908   15.863  876.791  106.787  956.034  212.574  850.044  123.502  220.689   27.253  215.127   16.243 5.561737 31.72587 
1 1 1  -26   15   15 o  318.986   15.959  1939.54  164.818  1943.06  298.046  1937.98  197.817  314.320   26.828  323.651   17.293 -9.330536 31.91854 
1 1 1  -26   15   17 o  174.188   17.003  562.317  104.682   0.0000   0.0000  562.317  104.682  ?   ?   174.188   17.003      ?      ? 
1 1 1  -26   15   19 o  155.864   20.712  540.591   89.384  431.089  190.384  571.554  101.236  136.142   38.076  175.586   16.313 -39.44388 41.42347 
1 1 1  -26   15   21 o   57.143   16.896   29.181   35.051   58.664  120.699   26.466   36.630   70.353   29.297   43.932   16.841 26.42116 33.79285 
1 1 1  -26   15   23 o  119.568   19.150  215.113   68.678  525.812  157.048  141.647   76.367  156.345   29.502   82.790   24.425 73.55479 38.30069 
1 1 1  -26   15   25 o  230.182   15.332  949.466  109.542  1278.39  225.827  848.260  125.266  248.750   25.686  211.614   16.748 37.13579 30.66371 
1 1 1  -26   16    2 o  103.692   18.308  238.622   64.185  159.665  129.488  264.341   73.904   88.610   32.106  118.774   17.605 -30.16405 36.61604 
1 1 1  -26   16    4 o  116.598   19.072  326.785   76.780  148.204  148.365  392.107   89.731   88.288   33.882  144.908   17.520 -56.62061 38.14378 
1 1 1  -26   16    6 o  169.624   15.203  499.141   80.611  668.557  164.750  445.815   92.431  184.296   25.292  154.952   16.877 29.34430 30.40635 
1 1 1  -26   16    8 o  114.050   19.334  249.866   65.683  290.337  148.183  239.970   73.275  114.845   34.060  113.255   18.305 1.590240 38.66746 
1 1 1  -26   16   10 o  118.321   15.694  142.268   53.887  594.248  141.254   65.284   58.296  175.570   22.763   61.071   21.610 114.4985 31.38740 
1 1 1  -26   16   12 o  150.628   14.734  322.359   66.112  759.270  142.094  201.648   74.688  200.173   20.084  101.084   21.563 99.08862 29.46708 
1 1 1  -26   16   14 o  174.859   17.463  601.119   90.938  613.570  178.115  596.729  105.760  170.561   30.674  179.157   16.702 -8.596283 34.92629 
1 1 1  -26   16   16 o  171.285   15.940  544.468   96.498   0.0000   0.0000  544.468   96.498  ?   ?   171.285   15.940      ?      ? 
1 1 1  -26   16   18 o   87.217   18.501  141.331   49.065  179.516  127.411  134.683   53.165   91.563   31.984   82.870   18.607 8.693329 37.00290 
1 1 1  -26   16   20 o   91.713   18.049  193.525   59.959   86.552  139.228  217.881   66.436   76.122   31.563  107.303   17.517 -31.18108 36.09829 
1 1 1  -26   16   22 o   76.575   20.628  114.211   76.287   94.088  129.757  124.841   94.307   75.255   30.759   77.895   27.495 -2.639374 41.25583 
1 1 1  -26   17    1 o   88.593   22.213  173.457   87.672  196.757  106.778  125.249  153.589   94.637   29.097   82.549   33.570 12.08806 44.42531 
1 1 1  -26   17    3 o   43.488   14.116  -4.4064   27.834  -6.6543   96.686  -4.2032   29.065   55.507   24.650   31.469   13.761 24.03809 28.23111 
1 1 1  -26   17    5 o  109.019   19.668  243.115   69.192  277.298  136.711  231.343   80.226  110.629   32.692  107.409   21.876 3.220016 39.33583 
1 1 1  -26   17    7 o  137.320   18.541  391.379   77.617  375.268  148.926  397.387   90.945  129.497   32.569  145.143   17.728 -15.64571 37.08155 
1 1 1  -26   17    9 o  121.138   19.470  349.957   74.259  213.766  155.733  390.035   84.482   97.872   35.247  144.405   16.552 -46.53316 38.94034 
1 1 1  -26   17   11 o   79.368   18.006  136.838   58.028   43.018  125.575  162.311   65.433   68.634   29.296   90.102   20.944 -21.46871 36.01242 
1 1 1  -26   17   13 o  104.215   19.823  191.445   61.298  319.991  145.080  163.510   67.631  118.351   33.287   90.080   21.534 28.27166 39.64569 
1 1 1  -26   17   15 o   62.173   16.895   65.469   46.040  -3.7827  119.514   77.537   49.891   61.139   27.263   63.208   19.962 -2.069691 33.78960 
1 1 1  -26   17   17 f  128.325   34.066  386.572  157.087  386.572  157.087   0.0000   0.0000  128.325   34.066  ?   ?       ?      ? 
1 1 1  -26   17   19 o   92.201   22.804  186.712   88.930  234.267  147.600  159.611  111.426   98.933   34.433   85.470   29.908 13.46326 45.60793 
1 1 1  -26   18    4 f  110.209   35.176  299.732  154.602   0.0000   0.0000  299.732  154.602  ?   ?   110.209   35.176      ?      ? 
1 1 1  -26   18    6 o  105.795   19.260  221.678   69.365   0.0000   0.0000  221.678   69.365  ?   ?   105.795   19.260      ?      ? 
1 1 1  -26   18    8 o  132.837   17.319  353.238   69.947  386.600  136.903  341.453   81.368  131.650   30.080  134.024   17.177 -2.374252 34.63900 
1 1 1  -26   18   10 o   53.882   15.551   37.477   44.094 -73.9975  111.206   58.273   48.032   51.363   24.115   56.401   19.642 -5.037128 31.10219 
1 1 1  -26   18   12 o   68.966   19.712   71.440   74.021  104.580  113.007   46.537   97.960   74.952   29.348   62.981   26.324 11.97149 39.42433 
1 1 1  -26   18   14 o   94.506   22.952  208.275   92.670  199.641  130.678  217.009  131.436   92.824   32.394   96.188   32.524 -3.363693 45.90414 
1 1 1  -25    0    1 o  163.493   12.167  491.473   96.907  491.473   96.907  491.473   96.907  163.493   17.206  163.493   17.206 -0.000000 0.000000 
1 1 1  -25    0    3 o  380.503   12.651  2597.06  239.396  2597.06  239.396  2597.06  239.396  380.503   17.891  380.503   17.891 -0.000000 0.000000 
1 1 1  -25    0    5 o   35.750   14.169   30.730   38.114   30.730   38.114   30.730   38.114   35.750   20.038   35.750   20.038 -0.000000 0.000000 
1 1 1  -25    0    7 o   49.146   16.049   62.926   43.424   62.926   43.424   62.926   43.424   49.146   22.696   49.146   22.696 -0.000000 0.000000 
1 1 1  -25    0    9 o  157.657   11.609  456.316   89.212  456.316   89.212  456.316   89.212  157.657   16.418  157.657   16.418 -0.000000 0.000000 
1 1 1  -25    0   11 o  129.663   12.531  315.532   76.914  315.532   76.914  315.532   76.914  129.663   17.721  129.663   17.721 -0.000000 0.000000 
1 1 1  -25    0   13 o  333.927   12.091  2001.04  200.608  2001.04  200.608  2001.04  200.608  333.927   17.100  333.927   17.100 -0.000000 0.000000 
1 1 1  -25    0   15 o  266.486   11.837  1279.02  156.247  1279.02  156.247  1279.02  156.247  266.486   16.740  266.486   16.740 -0.000000 0.000000 
1 1 1  -25    0   17 o  196.953   11.796  705.192  114.212  705.192  114.212  705.192  114.212  196.953   16.682  196.953   16.682 -0.000000 0.000000 
1 1 1  -25    0   19 o  101.231   22.015  229.518   97.424  229.518   97.424  229.518   97.424  101.231   31.133  101.231   31.133 -0.000000 0.000000 
1 1 1  -25    0   23 o  156.063   18.227  471.844  130.522  471.844  130.522  471.844  130.522  156.063   25.777  156.063   25.777 -0.000000 0.000000 
1 1 1  -25    0   35 o   69.851   21.730  130.229   79.470  130.229   79.470  130.229   79.470   69.851   30.731   69.851   30.731 -0.000000 0.000000 
1 1 1  -25    0   37 o  307.621   17.911  1802.50  271.102  1802.50  271.102  1802.50  271.102  307.621   25.329  307.621   25.329 -0.000000 0.000000 
1 1 1  -25    0   39 o   27.178   12.802 -11.5066   47.048 -11.5066   47.048 -11.5066   47.048   27.178   18.105   27.178   18.105 -0.000000 0.000000 
1 1 1  -25    1    2 o  197.600   11.279  699.817   78.716  727.108  111.051  672.258  111.594  201.533   15.590  193.667   16.303 7.866714 22.55752 
1 1 1  -25    1    4 o   80.750   13.503  121.974   38.738   82.486   54.083  163.574   55.511   67.461   20.702   94.040   17.340 -26.57887 27.00511 
1 1 1  -25    1    6 o  151.871   11.772  414.084   63.084  439.316   88.890  388.481   89.541  156.614   16.058  147.128   17.219 9.486588 23.54498 
1 1 1  -25    1    8 o  164.344   11.528  484.395   66.837  449.070   94.300  520.054   94.745  158.239   16.861  170.449   15.727 -12.20978 23.05698 
1 1 1  -25    1   10 o   83.523   14.169  109.694   40.738   64.595   49.054  209.936   73.133   60.850   19.850  106.196   20.223 -45.34565 28.33718 
1 1 1  -25    1   12 o  116.717   11.627  244.398   47.915  250.977   66.863  237.452   68.698  118.379   15.981  115.056   16.893 3.323486 23.25429 
1 1 1  -25    1   14 o  363.503   17.473  2373.03  224.483   0.0000   0.0000  2373.03  224.483  ?   ?   363.503   17.473      ?      ? 
1 1 1  -25    1   16 o  285.404   11.825  1462.83  119.040  1574.83  168.744  1351.88  167.956  296.445   16.105  274.363   17.320 22.08167 23.65075 
1 1 1  -25    1   18 o  137.494   14.747  349.350   66.100  355.225   81.957  338.417  111.806  140.720   16.478  134.268   24.461 6.451523 29.49364 
1 1 1  -25    1   20 o  518.728   20.189  4985.54  369.754  5241.83  523.044  4729.51  522.779  532.693   27.781  504.763   29.303 27.93085 40.37847 
1 1 1  -25    1   22 o  728.471   34.953 10092.82  899.946   0.0000   0.0000 10092.82  899.946  ?   ?   728.471   34.953      ?      ? 
1 1 1  -25    1   24 o  337.259   24.561  2090.45  292.770   0.0000   0.0000  2090.45  292.770  ?   ?   337.259   24.561      ?      ? 
1 1 1  -25    1   34 o  105.445   25.545  220.379   94.199   0.0000   0.0000  220.379   94.199  ?   ?   105.445   25.545      ?      ? 
1 1 1  -25    1   36 o  325.889   25.448  2074.73  293.120   0.0000   0.0000  2074.73  293.120  ?   ?   325.889   25.448      ?      ? 
1 1 1  -25    1   38 o  219.301   17.343  958.324  134.410  976.219  191.078  940.796  189.106  221.440   24.414  217.161   24.638 4.279602 34.68505 
1 1 1  -25    1   40 o  235.888   17.741  1142.47  147.285  1293.08  217.070  1013.98  200.500  251.047   24.464  220.730   25.700 30.31757 35.48194 
1 1 1  -25    2    1 o  103.767   13.557  197.617   48.635  186.372   69.379  208.482   68.196   99.855   20.348  107.679   17.919 -7.823746 27.11344 
1 1 1  -25    2    3 o  273.776   11.569  1343.53  111.944  1336.04  158.277  1351.04  158.348  273.002   16.403  274.551   16.318 -1.548645 23.13765 
1 1 1  -25    2    5 o   73.521   13.528  101.107   35.560  109.151   49.636   92.625   50.970   76.403   18.564   70.638   19.682 5.764847 27.05538 
1 1 1  -25    2    7 o  137.619   11.639  339.731   56.534  319.075   79.891  360.450   80.011  133.368   16.948  141.871   15.957 -8.503204 23.27780 
1 1 1  -25    2    9 o  415.454   12.986  3104.98  190.596  3211.84  269.673  2998.33  269.415  422.721   18.049  408.187   18.674 14.53387 25.97135 
1 1 1  -25    2   11 o  277.494   11.858  1381.14  116.282  1354.40  164.674  1407.74  164.223  274.768   16.957  280.219   16.581 -5.450623 23.71624 
1 1 1  -25    2   13 o  126.023   11.893  284.882   52.971  290.003   75.101  279.813   74.724  127.162   16.710  124.884   16.929 2.278275 23.78664 
1 1 1  -25    2   15 o  401.358   15.597  2905.49  209.008  2872.85  256.129  2970.54  361.599  399.666   18.132  403.051   25.383 -3.384674 31.19409 
1 1 1  -25    2   17 o  276.410   14.448  1391.94  132.690  1414.06  162.939  1348.40  228.628  280.796   16.418  272.024   23.779 8.772034 28.89648 
1 1 1  -25    2   19 o  344.283   14.943  2155.52  171.195  2170.69  210.064  2125.54  295.417  347.574   17.099  340.992   24.512 6.582489 29.88661 
1 1 1  -25    2   21 o  225.335   23.205  926.974  184.815   0.0000   0.0000  926.974  184.815  ?   ?   225.335   23.205      ?      ? 
1 1 1  -25    2   23 o  389.208   25.578  2790.34  351.853   0.0000   0.0000  2790.34  351.853  ?   ?   389.208   25.578      ?      ? 
1 1 1  -25    2   31 o  565.022   30.716  6163.45  613.416   0.0000   0.0000  6163.45  613.416  ?   ?   565.022   30.716      ?      ? 
1 1 1  -25    2   33 o  250.506   23.707  1181.67  209.903   0.0000   0.0000  1181.67  209.903  ?   ?   250.506   23.707      ?      ? 
1 1 1  -25    2   35 o  216.346   23.503  893.680  179.715   0.0000   0.0000  893.680  179.715  ?   ?   216.346   23.503      ?      ? 
1 1 1  -25    2   37 o  117.770   25.186  282.335  101.662   0.0000   0.0000  282.335  101.662  ?   ?   117.770   25.186      ?      ? 
1 1 1  -25    2   39 o  124.378   19.184  330.522   81.618  328.757  121.929  331.954  109.863  122.854   28.613  125.902   25.562 -3.047882 38.36797 
1 1 1  -25    3    2 o  319.506   11.931  1832.41  134.704  1801.07  191.481  1863.11  189.536  316.734   17.104  322.279   16.639 -5.544342 23.86284 
1 1 1  -25    3    4 o   44.986   12.252   20.516   28.395   40.601   40.887   1.8060   39.462   50.964   18.091   39.008   16.528 11.95546 24.50486 
1 1 1  -25    3    6 o  160.575   11.637  461.757   66.007  475.882   95.323  448.746   91.491  162.918   16.554  158.232   16.359 4.686768 23.27380 
1 1 1  -25    3    8 o  287.532   11.848  1485.64  120.009  1345.83  169.547  1626.01  169.889  273.751   17.523  301.313   15.952 -27.56161 23.69694 
1 1 1  -25    3   10 o  338.865   12.186  2061.27  145.945  2044.35  206.817  2078.05  205.981  337.448   17.340  340.282   17.126 -2.834747 24.37224 
1 1 1  -25    3   12 o  397.414   15.795  2868.47  208.799  2875.18  255.814  2855.07  361.398  399.879   18.100  394.949   25.890 4.929749 31.58914 
1 1 1  -25    3   14 o  320.474   15.196  1885.72  160.925  1936.52  197.236  1784.57  278.325  328.481   16.989  312.468   25.201 16.01337 30.39285 
1 1 1  -25    3   16 o  400.568   15.860  2949.67  209.982  3021.05  257.263  2807.22  363.448  409.927   17.756  391.208   26.285 18.71887 31.72076 
1 1 1  -25    3   18 o  225.231   16.477  924.446  131.017  978.224  185.851  871.316  184.727  231.925   22.672  218.538   23.916 13.38762 32.95451 
1 1 1  -25    3   22 o  335.358   24.656  2064.44  292.242   0.0000   0.0000  2064.44  292.242  ?   ?   335.358   24.656      ?      ? 
1 1 1  -25    3   26 o  226.162   23.080  939.254  184.489   0.0000   0.0000  939.254  184.489  ?   ?   226.162   23.080      ?      ? 
1 1 1  -25    3   28 o  224.527   23.051  929.830  182.930   0.0000   0.0000  929.830  182.930  ?   ?   224.527   23.051      ?      ? 
1 1 1  -25    3   30 o  251.771   23.481  1177.73  208.950   0.0000   0.0000  1177.73  208.950  ?   ?   251.771   23.481      ?      ? 
1 1 1  -25    3   32 o  238.151   23.428  1062.25  197.197   0.0000   0.0000  1062.25  197.197  ?   ?   238.151   23.428      ?      ? 
1 1 1  -25    3   34 o   70.769   22.619   94.011   63.909   0.0000   0.0000   94.011   63.909  ?   ?    70.769   22.619      ?      ? 
1 1 1  -25    3   36 o   94.804   25.081  182.183   85.341   0.0000   0.0000  182.183   85.341  ?   ?    94.804   25.081      ?      ? 
1 1 1  -25    3   38 o  165.332   23.792  543.753  139.027   0.0000   0.0000  543.753  139.027  ?   ?   165.332   23.792      ?      ? 
1 1 1  -25    4    1 o  232.767   14.056  961.214  110.457  1037.29  189.146  921.845  136.069  238.956   22.395  226.578   16.991 12.37772 28.11147 
1 1 1  -25    4    3 o  239.447   14.080  1024.62  113.329  1069.43  194.417  1001.56  139.477  242.621   22.672  236.273   16.702 6.347809 28.15967 
1 1 1  -25    4    5 o   77.372   15.037   98.980   41.668  162.189   71.882   66.991   51.136   92.773   22.216   61.971   20.270 30.80235 30.07323 
1 1 1  -25    4    7 o   91.505   15.463  163.041   48.234  131.867   81.152  180.070   59.979   84.355   25.248   98.655   17.859 -14.30006 30.92598 
1 1 1  -25    4    9 o  272.782   16.301  1354.00  156.367  1188.76  218.965  1525.97  223.374  255.371   24.260  290.194   21.778 -34.82300 32.60099 
1 1 1  -25    4   11 o  226.858   15.409  939.904  120.349  688.127  166.918  1212.50  173.681  194.268   24.310  259.448   18.940 -65.17938 30.81703 
1 1 1  -25    4   13 o  109.308   17.197  223.730   64.600  197.012   87.018  256.534   96.421  101.977   24.458  116.639   24.183 -14.66127 34.39456 
1 1 1  -25    4   15 o  562.301   29.731  5859.90  590.870   0.0000   0.0000  5859.90  590.870  ?   ?   562.301   29.731      ?      ? 
1 1 1  -25    4   17 o  138.187   25.090  359.161  118.032   0.0000   0.0000  359.161  118.032  ?   ?   138.187   25.090      ?      ? 
1 1 1  -25    4   21 o   75.715   24.690  102.439   75.894   0.0000   0.0000  102.439   75.894  ?   ?    75.715   24.690      ?      ? 
1 1 1  -25    4   25 o  361.537   17.586  2361.29  224.717   0.0000   0.0000  2361.29  224.717  ?   ?   361.537   17.586      ?      ? 
1 1 1  -25    4   29 o  258.326   23.593  1238.20  215.412   0.0000   0.0000  1238.20  215.412  ?   ?   258.326   23.593      ?      ? 
1 1 1  -25    4   31 o   24.818   11.639 -26.1416   25.780   0.0000   0.0000 -26.1416   25.780  ?   ?    24.818   11.639      ?      ? 
1 1 1  -25    4   33 o  304.917   24.546  1766.28  264.537   0.0000   0.0000  1766.28  264.537  ?   ?   304.917   24.546      ?      ? 
1 1 1  -25    4   35 o  189.321   23.272  687.324  155.723   0.0000   0.0000  687.324  155.723  ?   ?   189.321   23.272      ?      ? 
1 1 1  -25    4   37 o  306.483   25.383  1878.05  274.959   0.0000   0.0000  1878.05  274.959  ?   ?   306.483   25.383      ?      ? 
1 1 1  -25    4   39 o  197.950   24.168  797.040  169.091   0.0000   0.0000  797.040  169.091  ?   ?   197.950   24.168      ?      ? 
1 1 1  -25    5    2 o  213.148   15.978  827.997  119.374  700.529  167.031  961.078  170.668  195.920   24.121  230.375   20.960 -34.45537 31.95558 
1 1 1  -25    5    4 o  421.620   16.431  3383.24  224.476  2824.25  386.875  3666.95  275.616  391.415   27.965  451.824   17.259 -60.40887 32.86192 
1 1 1  -25    5    6 o  299.731   16.559  1635.69  174.866  1473.11  244.766  1805.19  249.909  284.150   24.372  315.311   22.425 -31.16132 33.11843 
1 1 1  -25    5    8 o  463.604   18.664  3953.77  303.853  3439.81  428.005  4476.03  431.442  432.054   28.028  495.154   24.653 -63.10040 37.32709 
1 1 1  -25    5   10 o  222.347   16.684  903.248  130.613  967.457  181.995  835.051  187.560  230.872   22.303  213.822   24.818 17.04980 33.36714 
1 1 1  -25    5   12 o  314.760   24.356  1807.79  270.958   0.0000   0.0000  1807.79  270.958  ?   ?   314.760   24.356      ?      ? 
1 1 1  -25    5   14 o  423.905   26.365  3298.62  395.013   0.0000   0.0000  3298.62  395.013  ?   ?   423.905   26.365      ?      ? 
1 1 1  -25    5   16 o  287.679   23.980  1510.81  243.826   0.0000   0.0000  1510.81  243.826  ?   ?   287.679   23.980      ?      ? 
1 1 1  -25    5   18 o  211.889   23.438  819.874  175.532   0.0000   0.0000  819.874  175.532  ?   ?   211.889   23.438      ?      ? 
1 1 1  -25    5   20 o  124.563   25.868  295.315  110.160   0.0000   0.0000  295.315  110.160  ?   ?   124.563   25.868      ?      ? 
1 1 1  -25    5   22 o  673.577   22.854  8297.16  544.095   0.0000   0.0000  8297.16  544.095  ?   ?   673.577   22.854      ?      ? 
1 1 1  -25    5   24 o  261.840   16.498  1235.09  152.686   0.0000   0.0000  1235.09  152.686  ?   ?   261.840   16.498      ?      ? 
1 1 1  -25    5   26 o  142.586   22.469  373.414  113.237   0.0000   0.0000  373.414  113.237  ?   ?   142.586   22.469      ?      ? 
1 1 1  -25    5   28 o  427.081   26.714  3424.60  403.244   0.0000   0.0000  3424.60  403.244  ?   ?   427.081   26.714      ?      ? 
1 1 1  -25    5   30 o  259.957   23.655  1261.04  217.340   0.0000   0.0000  1261.04  217.340  ?   ?   259.957   23.655      ?      ? 
1 1 1  -25    5   32 o  123.767   24.178  297.534  101.971   0.0000   0.0000  297.534  101.971  ?   ?   123.767   24.178      ?      ? 
1 1 1  -25    5   34 o  213.680   23.332  871.394  176.214   0.0000   0.0000  871.394  176.214  ?   ?   213.680   23.332      ?      ? 
1 1 1  -25    5   36 o  252.780   24.238  1255.20  216.551   0.0000   0.0000  1255.20  216.551  ?   ?   252.780   24.238      ?      ? 
1 1 1  -25    5   38 o  323.577   26.245  2158.28  300.153   0.0000   0.0000  2158.28  300.153  ?   ?   323.577   26.245      ?      ? 
1 1 1  -25    6    1 o  140.702   22.506  360.527  111.925  360.527  111.925   0.0000   0.0000  140.702   22.506  ?   ?       ?      ? 
1 1 1  -25    6    3 f  276.097   23.423  1389.69  228.571  1389.69  228.571   0.0000   0.0000  276.097   23.423  ?   ?       ?      ? 
1 1 1  -25    6    5 o  379.613   25.230  2637.76  338.515  2637.76  338.515   0.0000   0.0000  379.613   25.230  ?   ?       ?      ? 
1 1 1  -25    6    7 o  500.994   28.009  4629.56  495.958  4629.56  495.958   0.0000   0.0000  500.994   28.009  ?   ?       ?      ? 
1 1 1  -25    6   19 o  264.030   23.489  1275.22  219.200   0.0000   0.0000  1275.22  219.200  ?   ?   264.030   23.489      ?      ? 
1 1 1  -25    6   21 o  459.566   27.236  3917.50  442.398   0.0000   0.0000  3917.50  442.398  ?   ?   459.566   27.236      ?      ? 
1 1 1  -25    6   23 o  341.144   24.780  2146.47  298.784   0.0000   0.0000  2146.47  298.784  ?   ?   341.144   24.780      ?      ? 
1 1 1  -25    6   25 o  210.102   23.192  812.491  172.221   0.0000   0.0000  812.491  172.221  ?   ?   210.102   23.192      ?      ? 
1 1 1  -25    6   29 o  176.071   22.623  575.269  140.785   0.0000   0.0000  575.269  140.785  ?   ?   176.071   22.623      ?      ? 
1 1 1  -25    6   31 o  308.527   24.460  1797.41  266.732   0.0000   0.0000  1797.41  266.732  ?   ?   308.527   24.460      ?      ? 
1 1 1  -25    6   33 o   71.874   22.294   98.400   62.529   0.0000   0.0000   98.400   62.529  ?   ?    71.874   22.294      ?      ? 
1 1 1  -25    6   35 o  372.998   26.568  2769.46  350.256   0.0000   0.0000  2769.46  350.256  ?   ?   372.998   26.568      ?      ? 
1 1 1  -25    6   37 o  188.358   23.671  707.153  157.585   0.0000   0.0000  707.153  157.585  ?   ?   188.358   23.671      ?      ? 
1 1 1  -25    7    2 o  394.486   25.599  2861.09  356.924  2861.09  356.924   0.0000   0.0000  394.486   25.599  ?   ?       ?      ? 
1 1 1  -25    7    4 o  218.273   22.768  868.180  175.649  868.180  175.649   0.0000   0.0000  218.273   22.768  ?   ?       ?      ? 
1 1 1  -25    7   14 o  106.344   24.655  215.040   90.864   0.0000   0.0000  215.040   90.864  ?   ?   106.344   24.655      ?      ? 
1 1 1  -25    7   16 o  363.908   25.062  2432.08  322.353   0.0000   0.0000  2432.08  322.353  ?   ?   363.908   25.062      ?      ? 
1 1 1  -25    7   18 o  163.591   22.823  488.862  131.964   0.0000   0.0000  488.862  131.964  ?   ?   163.591   22.823      ?      ? 
1 1 1  -25    7   20 o  187.946   22.882  646.349  152.004   0.0000   0.0000  646.349  152.004  ?   ?   187.946   22.882      ?      ? 
1 1 1  -25    7   22 o  165.076   22.969  499.778  134.011   0.0000   0.0000  499.778  134.011  ?   ?   165.076   22.969      ?      ? 
1 1 1  -25    7   24 o  554.664   29.927  5814.33  586.689   0.0000   0.0000  5814.33  586.689  ?   ?   554.664   29.927      ?      ? 
1 1 1  -25    7   26 o  417.465   26.505  3266.18  391.088   0.0000   0.0000  3266.18  391.088  ?   ?   417.465   26.505      ?      ? 
1 1 1  -25    7   30 f  272.528   23.854  1396.44  229.771   0.0000   0.0000  1396.44  229.771  ?   ?   272.528   23.854      ?      ? 
1 1 1  -25    7   32 o  122.883   24.004  295.537  100.516   0.0000   0.0000  295.537  100.516  ?   ?   122.883   24.004      ?      ? 
1 1 1  -25    7   34 o  183.606   23.303  651.283  151.220   0.0000   0.0000  651.283  151.220  ?   ?   183.606   23.303      ?      ? 
1 1 1  -25    7   36 o  143.323   23.575  407.048  119.422   0.0000   0.0000  407.048  119.422  ?   ?   143.323   23.575      ?      ? 
1 1 1  -25    8    1 o  160.807   31.845  501.118  174.594  501.118  174.594   0.0000   0.0000  160.807   31.845  ?   ?       ?      ? 
1 1 1  -25    8    3 o   31.122   15.792 -327.5955   89.948 -327.5955   89.948   0.0000   0.0000   31.122   15.792  ?   ?       ?      ? 
1 1 1  -25    8    5 o  205.350   27.103  779.225  196.711  779.225  196.711   0.0000   0.0000  205.350   27.103  ?   ?       ?      ? 
1 1 1  -25    8   11 o  293.689   23.826  1577.78  247.317   0.0000   0.0000  1577.78  247.317  ?   ?   293.689   23.826      ?      ? 
1 1 1  -25    8   13 o  357.826   24.934  2350.87  315.339   0.0000   0.0000  2350.87  315.339  ?   ?   357.826   24.934      ?      ? 
1 1 1  -25    8   15 o  409.967   26.015  3098.92  376.960   0.0000   0.0000  3098.92  376.960  ?   ?   409.967   26.015      ?      ? 
1 1 1  -25    8   17 o  313.807   24.180  1807.60  268.187   0.0000   0.0000  1807.60  268.187  ?   ?   313.807   24.180      ?      ? 
1 1 1  -25    8   19 o  106.208   24.545  215.343   90.291   0.0000   0.0000  215.343   90.291  ?   ?   106.208   24.545      ?      ? 
1 1 1  -25    8   21 o  360.160   25.166  2398.28  320.360   0.0000   0.0000  2398.28  320.360  ?   ?   360.160   25.166      ?      ? 
1 1 1  -25    8   23 o  496.998   28.373  4642.18  498.407   0.0000   0.0000  4642.18  498.407  ?   ?   496.998   28.373      ?      ? 
1 1 1  -25    8   25 o   55.985   20.798   45.751   54.877   0.0000   0.0000   45.751   54.877  ?   ?    55.985   20.798      ?      ? 
1 1 1  -25    8   27 o  401.379   26.318  3038.64  373.364   0.0000   0.0000  3038.64  373.364  ?   ?   401.379   26.318      ?      ? 
1 1 1  -25    8   31 f  237.246   23.393  1067.60  196.160   0.0000   0.0000  1067.60  196.160  ?   ?   237.246   23.393      ?      ? 
1 1 1  -25    8   33 o  162.383   23.039  507.351  132.228   0.0000   0.0000  507.351  132.228  ?   ?   162.383   23.039      ?      ? 
1 1 1  -25    8   35 o  158.918   23.127  496.861  129.902   0.0000   0.0000  496.861  129.902  ?   ?   158.918   23.127      ?      ? 
1 1 1  -25    8   37 o  156.222   23.779  495.389  131.295   0.0000   0.0000  495.389  131.295  ?   ?   156.222   23.779      ?      ? 
1 1 1  -25    9    2 o  192.080   21.744  724.492  137.037  607.571  217.655  801.278  176.386  175.184   36.343  208.975   23.881 -33.79117 43.48718 
1 1 1  -25    9    4 o  128.844   20.718  297.317   88.907  415.096  154.094  238.546  108.852  146.390   30.760  111.297   27.764 35.09286 41.43629 
1 1 1  -25    9    6 o  222.318   15.300  855.315  105.331  995.143  213.466  810.314  121.100  232.282   26.001  212.354   16.135 19.92830 30.60054 
1 1 1  -25    9    8 o  339.269   17.936  2115.86  214.626  2152.34  314.925  2084.23  293.283  341.611   26.083  336.927   24.628 4.684296 35.87286 
1 1 1  -25    9   10 o  338.380   18.739  2126.81  222.553  1971.11  326.012  2262.70  304.556  325.674   28.322  351.085   24.543 -25.41101 37.47719 
1 1 1  -25    9   12 o  389.115   17.622  2767.53  241.306  3153.25  355.144  2436.75  328.883  414.563   24.238  363.667   25.587 50.89575 35.24430 
1 1 1  -25    9   14 o  334.183   26.491  2065.50  312.903  2065.50  312.903   0.0000   0.0000  334.183   26.491  ?   ?       ?      ? 
1 1 1  -25    9   16 o  226.306   18.194  953.362  143.085  899.027  219.368  993.597  188.769  219.640   28.258  232.972   22.925 -13.33151 36.38763 
1 1 1  -25    9   18 o  280.718   23.675  1448.04  234.898   0.0000   0.0000  1448.04  234.898  ?   ?   280.718   23.675      ?      ? 
1 1 1  -25    9   20 o  443.108   26.903  3658.08  421.335   0.0000   0.0000  3658.08  421.335  ?   ?   443.108   26.903      ?      ? 
1 1 1  -25    9   22 o  173.387   22.824  553.750  139.870   0.0000   0.0000  553.750  139.870  ?   ?   173.387   22.824      ?      ? 
1 1 1  -25    9   24 o  237.662   23.448  1046.80  196.964   0.0000   0.0000  1046.80  196.964  ?   ?   237.662   23.448      ?      ? 
1 1 1  -25    9   26 o  239.988   23.381  1072.70  198.325   0.0000   0.0000  1072.70  198.325  ?   ?   239.988   23.381      ?      ? 
1 1 1  -25    9   28 o  268.552   23.673  1355.19  224.695   0.0000   0.0000  1355.19  224.695  ?   ?   268.552   23.673      ?      ? 
1 1 1  -25    9   30 o  488.551   29.022  4694.95  501.137   0.0000   0.0000  4694.95  501.137  ?   ?   488.551   29.022      ?      ? 
1 1 1  -25    9   32 o  105.428   23.933  222.149   87.143   0.0000   0.0000  222.149   87.143  ?   ?   105.428   23.933      ?      ? 
1 1 1  -25    9   34 o  165.211   23.297  536.946  136.040   0.0000   0.0000  536.946  136.040  ?   ?   165.211   23.297      ?      ? 
1 1 1  -25    9   36 o  107.721   24.806  244.518   92.494   0.0000   0.0000  244.518   92.494  ?   ?   107.721   24.806      ?      ? 
1 1 1  -25   10    1 o   79.219   21.232   93.314   79.653   50.894  142.952  112.414   95.924   77.971   32.124   80.467   27.772 -2.495453 42.46496 
1 1 1  -25   10    3 o  138.267   17.815  311.068   68.042  446.418  162.203  282.164   74.956  151.428   31.339  125.105   16.952 26.32264 35.62994 
1 1 1  -25   10    5 o   67.274   16.843   80.638   47.063 -92.6684  137.753  103.539   50.076   60.317   27.812   74.231   19.005 -13.91428 33.68528 
1 1 1  -25   10    7 o  246.135   16.697  1138.41  123.398  1056.11  246.931  1165.80  142.462  237.584   29.406  254.685   15.826 -17.10173 33.39441 
1 1 1  -25   10    9 o  219.367   16.796  861.634  111.923  925.735  228.865  841.486  128.313  222.580   29.092  216.155   16.795 6.424438 33.59204 
1 1 1  -25   10   11 o  427.107   19.398  3389.89  292.570  3376.33  421.942  3402.45  406.029  425.820   28.035  428.394   26.816 -2.573639 38.79533 
1 1 1  -25   10   13 o  320.713   15.562  1831.36  160.171  1994.50  301.970  1767.49  188.939  328.324   26.022  313.102   17.073 15.22186 31.12303 
1 1 1  -25   10   15 o  784.718   20.675 11209.27  543.680 12626.33  951.845 10523.08  662.361  814.151   33.078  755.286   24.812 58.86438 41.34977 
1 1 1  -25   10   17 o  305.135   17.202  1800.82  163.893  1522.40  300.696  1918.49  195.482  284.239   29.931  326.031   16.964 -41.79263 34.40425 
1 1 1  -25   10   19 o   93.749   24.181  168.378   80.650   0.0000   0.0000  168.378   80.650  ?   ?    93.749   24.181      ?      ? 
1 1 1  -25   10   21 o  153.774   19.029  442.063   97.694  479.314  161.912  420.737  122.507  156.563   30.355  150.984   22.957 5.579468 38.05859 
1 1 1  -25   10   23 o  333.145   17.332  2058.76  203.486  2286.42  299.009  1862.38  277.713  350.476   24.138  315.813   24.880 34.66281 34.66495 
1 1 1  -25   10   25 o  118.404   21.496  282.654   85.551  264.199  158.037  290.304  101.749  114.115   35.451  122.693   24.323 -8.577545 42.99237 
1 1 1  -25   10   27 o  277.389   17.580  1446.64  171.417  1555.88  259.265  1361.80  228.482  286.034   25.645  268.745   24.054 17.28922 35.16083 
1 1 1  -25   10   29 o  493.760   30.475  4855.48  531.846  4855.48  531.846   0.0000   0.0000  493.760   30.475  ?   ?       ?      ? 
1 1 1  -25   10   31 o  169.827   17.859  531.862  102.676  683.968  179.187  457.504  125.284  185.447   27.338  154.208   22.986 31.23865 35.71746 
1 1 1  -25   10   33 o   66.249   18.396   40.962   38.943  147.325  132.203   30.856   40.751   85.909   32.208   46.589   17.786 39.32013 36.79275 
1 1 1  -25   10   35 o  320.908   18.439  2117.54  208.202  2372.72  312.200  1913.16  279.405  338.069   26.128  303.747   26.026 34.32242 36.87833 
1 1 1  -25   11    2 o  238.856   16.017  1027.99  135.216   0.0000   0.0000  1027.99  135.216  ?   ?   238.856   16.017      ?      ? 
1 1 1  -25   11    4 o  159.835   19.373  500.362   87.487  453.123  182.725  514.412   99.652  150.794   34.964  168.875   16.696 -18.08075 38.74585 
1 1 1  -25   11    6 o  186.212   16.951  625.623  111.564   0.0000   0.0000  625.623  111.564  ?   ?   186.212   16.951      ?      ? 
1 1 1  -25   11    8 f  382.608   16.074  2698.56  198.780  2643.81  360.456  2722.48  238.289  376.931   27.056  388.285   17.363 -11.35443 32.14865 
1 1 1  -25   11   10 o   98.777   19.087  119.500   47.197  310.135  148.223   97.991   49.789  125.325   33.005   72.229   19.180 53.09643 38.17396 
1 1 1  -25   11   12 o  549.331   16.446  5331.77  300.360  6184.04  538.183  4946.23  361.978  576.959   26.392  521.704   19.631 55.25494 32.89196 
1 1 1  -25   11   14 o  374.422   15.630  2494.92  189.037  2754.51  353.496  2390.95  223.712  385.143   25.968  363.701   17.403 21.44263 31.26043 
1 1 1  -25   11   16 o  274.885   16.287  1376.33  137.930  1420.61  273.370  1361.21  159.756  275.135   28.112  274.635   16.458 0.5001221 32.57498 
1 1 1  -25   11   18 f  296.290   16.516  1607.39  153.996  1652.84  295.023  1590.37  180.543  296.222   28.179  296.358   17.236 -0.1356201 33.03211 
1 1 1  -25   11   20 o  301.772   18.940  1728.38  199.472  1547.27  294.875  1881.17  270.847  285.324   29.240  318.220   24.081 -32.89651 37.87988 
1 1 1  -25   11   22 o  235.560   14.758  963.961  110.967  1160.03  215.531  893.243  129.441  249.169   24.473  221.951   16.500 27.21738 29.51631 
1 1 1  -25   11   24 o  317.747   18.664  1915.67  208.759  1917.04  309.015  1914.52  283.138  316.838   27.594  318.657   25.139 -1.818817 37.32886 
1 1 1  -25   11   26 o  211.150   16.740  868.891  107.526  778.942  207.762  901.798  125.665  199.796   29.421  222.503   15.979 -22.70703 33.48035 
1 1 1  -25   11   28 o   87.701   19.739  125.489   50.234  190.040  146.988  116.953   53.453   97.584   34.338   77.818   19.480 19.76584 39.47851 
1 1 1  -25   11   30 o  173.643   20.982  615.804  120.841  630.643  198.942  607.128  152.120  170.781   34.152  176.504   24.384 -5.723267 41.96354 
1 1 1  -25   11   32 o  145.549   15.890  310.675   65.095  623.246  165.053  253.101   70.837  175.040   26.679  116.058   17.269 58.98166 31.78005 
1 1 1  -25   11   34 o  243.800   15.815  1106.35  120.475  1369.97  241.407  1018.92  139.025  255.932   26.687  231.668   16.979 24.26375 31.63062 
1 1 1  -25   12    1 o   87.698   19.355  133.499   80.377 -32.5723  126.888  244.794  103.875   63.152   28.131  112.245   26.592 -49.09318 38.70977 
1 1 1  -25   12    3 o  148.003   20.702  527.627   88.377  235.770  183.615  615.628  100.824  111.177   38.421  184.828   15.434 -73.65086 41.40500 
1 1 1  -25   12    5 o  153.395   17.583  402.284   78.650  523.630  170.053  369.263   88.708  164.003   30.458  142.786   17.578 21.21727 35.16616 
1 1 1  -25   12    7 o  201.650   16.657  747.440  102.343  755.040  204.937  744.915  118.128  200.157   28.969  203.144   16.452 -2.986786 33.31464 
1 1 1  -25   12    9 o  220.138   14.520  813.111  101.925  1058.10  201.344  728.697  118.188  239.400   23.795  200.877   16.647 38.52277 29.04017 
1 1 1  -25   12   11 o  211.171   17.639  828.547  107.297  823.356  230.998  829.976  121.161  207.803   31.451  214.540   15.978 -6.736984 35.27727 
1 1 1  -25   12   13 o  147.016   20.301  362.989   80.027  505.091  198.514  335.414   87.448  158.095   36.294  135.938   18.201 22.15714 40.60181 
1 1 1  -25   12   15 o   95.231   21.191  137.692   52.964  217.144  177.367  129.914   55.495  107.603   37.729   82.858   19.307 24.74513 42.38208 
1 1 1  -25   12   17 o  165.876   19.230  523.010   86.049  527.968  194.254  521.800   95.980  161.826   34.982  169.926   15.981 -8.100235 38.45964 
1 1 1  -25   12   19 o  212.993   22.949  841.355  172.761   0.0000   0.0000  841.355  172.761  ?   ?   212.993   22.949      ?      ? 
1 1 1  -25   12   21 o   82.776   20.920   84.108   43.459  183.723  177.889   77.786   44.817  101.097   37.467   64.454   18.625 36.64281 41.84087 
1 1 1  -25   12   23 o  232.543   14.598  871.501  104.644  1289.02  222.874  753.430  118.521  261.685   24.097  203.401   16.486 58.28406 29.19680 
1 1 1  -25   12   25 o  301.763   15.941  1614.96  150.889  1938.30  300.550  1506.01  174.469  316.968   26.828  286.557   17.226 30.41138 31.88191 
1 1 1  -25   12   27 o   98.724   21.403  150.416   52.936  275.467  183.280  139.035   55.292  112.503   38.405   84.945   18.903 27.55748 42.80535 
1 1 1  -25   12   29 o  149.051   20.724  418.476   76.701  524.030  204.351  401.167   82.752  150.761   38.280  147.341   15.890 3.419800 41.44732 
1 1 1  -25   12   31 o  119.819   20.986  311.117   72.434  296.066  181.924  313.953   78.963  110.516   38.241  129.121   17.302 -18.60493 41.97287 
1 1 1  -25   12   33 o   65.289   19.055   53.678   34.388   67.614  183.383   53.171   35.009   77.666   34.245   52.913   16.723 24.75320 38.11030 
1 1 1  -25   13    2 o  144.824   16.393  350.021   75.738  486.234  150.870  304.128   87.572  160.666   26.568  128.982   19.209 31.68329 32.78504 
1 1 1  -25   13    4 o   94.190   17.382  200.848   65.093  -9.0662  139.029  259.781   73.666   68.762   30.082  119.617   17.424 -50.85541 34.76380 
1 1 1  -25   13    6 o  121.110   19.663  301.887   74.923  231.491  151.448  324.699   86.211  108.623   34.831  133.598   18.258 -24.97526 39.32608 
1 1 1  -25   13    8 o  194.783   15.061  683.796  103.686   0.0000   0.0000  683.796  103.686  ?   ?   194.783   15.061      ?      ? 
1 1 1  -25   13   10 o  123.544   18.042  266.906   64.709  335.588  143.417  249.350   72.509  129.868   31.555  117.219   17.501 12.64916 36.08367 
1 1 1  -25   13   12 o  192.946   18.687  688.197  125.575  871.769  189.324  543.998  167.797  216.267   24.768  169.626   27.988 46.64116 37.37379 
1 1 1  -25   13   14 o  255.729   16.263  1226.86  131.384  1174.70  245.322  1247.83  155.576  249.100   27.864  262.358   16.778 -13.25874 32.52516 
1 1 1  -25   13   16 o  195.018   14.899  576.701   87.585  966.506  196.607  480.189   97.829  227.438   24.458  162.599   17.023 64.83859 29.79859 
1 1 1  -25   13   18 o  201.302   22.860  754.112  162.646   0.0000   0.0000  754.112  162.646  ?   ?   201.302   22.860      ?      ? 
1 1 1  -25   13   20 o   96.615   33.836 -57.9848   9.9667  176.614  142.638 -59.1358   9.9912   96.615   33.836  ?   ?       ?      ? 
1 1 1  -25   13   22 o  231.522   16.684  944.120  114.044  1140.75  248.413  891.610  128.371  242.011   29.042  221.033   16.432 20.97838 33.36795 
1 1 1  -25   13   24 o  129.435   20.946  344.906   74.338  318.209  184.797  350.060   81.197  120.729   38.450  138.141   16.630 -17.41177 41.89253 
1 1 1  -25   13   26 o  394.529   17.116  2949.69  216.372  3155.15  404.213  2867.17  256.163  396.884   28.815  392.173   18.481 4.711212 34.23253 
1 1 1  -25   13   28 o  175.432   18.676  581.165   89.820  692.177  203.584  554.333  100.088  178.162   33.561  172.702   16.397 5.459763 37.35270 
1 1 1  -25   13   30 o  101.247   24.345  207.679   91.340  314.076  191.823  176.481  103.872  111.990   39.238   90.504   28.827 21.48575 48.68914 
1 1 1  -25   14    1 o  181.511   28.210  632.430  180.979  632.430  180.979   0.0000   0.0000  181.511   28.210  ?   ?       ?      ? 
1 1 1  -25   14    3 o   96.436   18.621  182.392   57.215  162.604  128.341  187.301   63.918   93.216   32.127   99.655   18.837 -6.438873 37.24214 
1 1 1  -25   14    5 f  140.173   16.167  307.639   70.737  531.688  145.011  237.680   81.031  168.524   24.346  111.822   21.280 56.70196 32.33478 
1 1 1  -25   14    7 o  183.064   14.850  588.081   86.241  688.105  168.204  552.411  100.448  191.590   24.839  174.538   16.283 17.05276 29.70072 
1 1 1  -25   14    9 o   53.342   16.054   24.585   40.911 -129.6635  134.653   40.271   42.941   55.634   26.249   51.049   18.490 4.584557 32.10752 
1 1 1  -25   14   11 o  246.205   13.639  1024.80  109.876  1347.13  207.388  899.008  129.553  269.838   21.745  222.572   16.469 47.26608 27.27754 
1 1 1  -25   14   13 o   75.131   20.723  107.412   56.817   0.0000   0.0000  107.412   56.817  ?   ?    75.131   20.723      ?      ? 
1 1 1  -25   14   15 o  106.636   19.633  193.464   62.772  288.093  142.931  170.851   69.871  118.951   32.893   94.322   21.444 24.62822 39.26570 
1 1 1  -25   14   17 o  179.402   16.386  585.890  103.898   0.0000   0.0000  585.890  103.898  ?   ?   179.402   16.386      ?      ? 
1 1 1  -25   14   19 o  205.130   17.734  774.803  125.130  912.928  207.456  695.816  156.880  217.929   26.933  192.331   23.078 25.59819 35.46819 
1 1 1  -25   14   21 o  197.588   13.791  590.310   83.205  1030.04  183.462  476.444   93.358  233.846   22.197  161.330   16.372 72.51617 27.58208 
1 1 1  -25   14   23 o  139.572   15.591  294.852   63.773  524.208  150.391  244.567   70.418  164.084   25.932  115.059   17.316 49.02549 31.18177 
1 1 1  -25   14   25 o  196.611   17.129  728.486   99.225  800.462  210.547  707.936  112.502  197.586   30.149  195.636   16.270 1.949646 34.25897 
1 1 1  -25   14   27 o   69.942   19.056   40.959   35.903  191.462  145.786   31.241   37.044   94.275   34.081   45.609   17.059 48.66569 38.11198 
1 1 1  -25   14   29 o   58.458   18.803   65.312   44.110   0.0000   0.0000   65.312   44.110  ?   ?    58.458   18.803      ?      ? 
1 1 1  -25   15    2 o  250.664   19.033  1213.11  166.802  1016.02  234.291  1415.69  237.530  228.258   29.041  273.070   24.611 -44.81219 38.06643 
1 1 1  -25   15    4 o   85.376   27.999 -65.2248   9.8493  138.865   97.549 -67.3268   9.8999   85.376   27.999  ?   ?       ?      ? 
1 1 1  -25   15    6 o   75.499   18.011  111.217   54.164 -12.5541  139.337  133.249   58.788   67.665   29.842   83.333   20.175 -15.66715 36.02236 
1 1 1  -25   15    8 o   78.732   18.172   78.922   44.216  194.677  118.005   60.016   47.691   99.034   30.612   58.430   19.592 40.60409 36.34470 
1 1 1  -25   15   10 o  243.546   16.124  1129.96  124.756  1058.85  229.057  1159.95  148.756  234.847   27.595  252.246   16.685 -17.39931 32.24757 
1 1 1  -25   15   12 o  159.517   17.219  465.109   97.080   0.0000   0.0000  465.109   97.080  ?   ?   159.517   17.219      ?      ? 
1 1 1  -25   15   14 o  245.812   17.042  1105.04  148.063   0.0000   0.0000  1105.04  148.063  ?   ?   245.812   17.042      ?      ? 
1 1 1  -25   15   16 o  235.055   17.044  1012.38  141.597   0.0000   0.0000  1012.38  141.597  ?   ?   235.055   17.044      ?      ? 
1 1 1  -25   15   18 o  140.656   21.188  417.612   99.815  333.652  166.855  464.403  124.561  124.534   35.923  156.777   22.479 -32.24207 42.37659 
1 1 1  -25   15   20 o  145.171   20.806  482.067   86.101  326.984  183.484  525.860   97.503  121.200   38.283  169.141   16.310 -47.94099 41.61242 
1 1 1  -25   15   22 o  189.044   16.591  625.661  105.478  970.640  184.576  458.371  128.532  224.207   23.292  153.882   23.632 70.32500 33.18127 
1 1 1  -25   15   24 o  100.367   19.086  232.774   64.578  113.175  159.716  256.147   70.608   83.631   34.147  117.103   17.059 -33.47231 38.17130 
1 1 1  -25   15   26 o  193.997   16.747  703.774   98.545  844.476  204.677  661.316  112.435  200.543   28.876  187.450   16.971 13.09317 33.49380 
1 1 1  -25   15   28 o  113.728   20.243  273.578   66.723  295.186  166.333  269.434   72.840  108.540   36.589  118.917   17.330 -10.37650 40.48560 
1 1 1  -25   16    1 f  171.407   14.287  496.593   80.814  718.584  151.212  407.834   95.615  194.613   21.983  148.200   18.254 46.41351 28.57403 
1 1 1  -25   16    3 o  188.734   20.538  709.984  132.881  608.559  184.150  820.166  191.936  172.081   31.436  205.386   26.440 -33.30429 41.07666 
1 1 1  -25   16    5 o  149.131   17.406  409.428   91.746   0.0000   0.0000  409.428   91.746  ?   ?   149.131   17.406      ?      ? 
1 1 1  -25   16    7 o  163.451   18.100  560.536   85.754  431.689  162.416  610.339  100.976  144.045   32.655  182.857   15.624 -38.81189 36.19998 
1 1 1  -25   16    9 o  214.464   16.226  887.166  110.146  826.395  202.657  912.644  131.219  205.787   27.863  223.142   16.638 -17.35507 32.45230 
1 1 1  -25   16   11 o  170.914   14.859  520.201   79.743  608.955  157.798  489.762   92.411  178.172   25.058  163.656   15.976 14.51640 29.71739 
1 1 1  -25   16   13 o  216.354   13.644  790.255   96.457  1094.12  183.656  674.509  113.349  241.077   21.554  191.632   16.735 49.44522 27.28820 
1 1 1  -25   16   15 o  236.285   16.865  1084.71  126.956  1027.25  231.787  1109.34  151.742  227.525   28.823  245.045   17.520 -17.52003 33.73016 
1 1 1  -25   16   17 o  199.077   20.508  817.514  135.061  693.389  208.627  907.066  177.205  180.606   33.929  217.548   23.046 -36.94191 41.01563 
1 1 1  -25   16   19 o  146.184   21.525  469.502  105.672  354.344  172.250  538.998  133.811  125.058   36.622  167.309   22.628 -42.25119 43.04927 
1 1 1  -25   16   21 o   68.908   17.449   88.767   44.628   3.8224  137.889   98.706   47.167   66.735   29.546   71.081   18.570 -4.345764 34.89741 
1 1 1  -25   16   23 o  102.134   19.579  190.188   65.549  313.514  131.106  149.085   75.689  119.138   30.881   85.130   24.078 34.00856 39.15826 
1 1 1  -25   16   25 o  340.578   15.663  2204.71  176.124  2580.26  318.600  2039.44  211.355  354.759   25.409  326.397   18.321 28.36118 31.32544 
1 1 1  -25   17    2 o  172.607   17.343  591.396   93.471  578.065  168.823  597.290  112.246  166.445   29.791  178.769   17.765 -12.32375 34.68559 
1 1 1  -25   17    4 o  120.637   17.536  261.399   65.965  374.669  128.994  221.288   76.761  134.961   27.961  106.314   21.172 28.64745 35.07290 
1 1 1  -25   17    6 o   99.266   19.742  205.250   67.633  184.125  133.465  212.549   78.452   94.657   32.754  103.876   22.050 -9.218262 39.48462 
1 1 1  -25   17    8 o  114.884   19.306  295.214   74.788  187.506  143.391  335.462   87.654   95.724   33.890  134.044   18.501 -38.32041 38.61163 
1 1 1  -25   17   10 f  196.796   19.566  771.099  136.005  736.289  190.828  807.036  193.891  191.909   28.134  201.683   27.200 -9.773727 39.13224 
1 1 1  -25   17   12 o   61.515   17.123   56.304   44.204  -9.9294  126.347   65.542   47.186   63.431   28.173   59.599   19.470 3.832287 34.24623 
1 1 1  -25   17   14 o  177.785   17.861  590.258  112.235   0.0000   0.0000  590.258  112.235  ?   ?   177.785   17.861      ?      ? 
1 1 1  -25   17   16 o  145.005   22.942  408.595  117.579   0.0000   0.0000  408.595  117.579  ?   ?   145.005   22.942      ?      ? 
1 1 1  -25   17   18 o  165.659   18.853  580.645   91.390  508.239  175.683  607.508  107.008  151.025   33.761  180.293   16.793 -29.26831 37.70649 
1 1 1  -25   17   20 o  143.460   16.782  341.694   73.801  566.983  160.432  281.222   83.118  165.770   27.382  121.151   19.411 44.61863 33.56440 
1 1 1  -25   18    1 o  149.877   15.068  425.556   75.928  482.189  131.840  397.450   92.878  155.184   24.037  144.570   18.177 10.61398 30.13574 
1 1 1  -25   18    3 o  115.929   19.275  311.856   78.084  188.885  140.027  367.351   94.068   93.147   33.436  138.710   19.187 -45.56283 38.54981 
1 1 1  -25   18    5 o  239.970   14.881  1077.45  119.850  1228.46  209.283  1003.76  146.197  249.284   23.753  230.655   17.933 18.62912 29.76237 
1 1 1  -25   18    7 o   44.495   13.416   12.370   34.125 -138.0407   97.635   33.301   36.422   42.861   20.776   46.129   16.980 -3.268837 26.83197 
1 1 1  -25   18    9 o   67.466   17.475   69.902   44.173  108.692  105.870   61.726   48.606   76.786   28.816   58.145   19.778 18.64164 34.95006 
1 1 1  -25   18   11 o   90.239   16.934  160.858   50.082  176.271   99.184  155.583   58.022   91.378   28.035   89.100   19.004 2.277962 33.86883 
1 1 1  -25   18   13 o   83.044   16.176  159.573   56.978 -13.3614  121.702  208.118   64.481   60.905   27.309  105.183   17.345 -44.27818 32.35128 
1 1 1  -25   18   15 o  102.823   21.623  212.318   76.092   0.0000   0.0000  212.318   76.092  ?   ?   102.823   21.623      ?      ? 
1 1 1  -25   18   17 o  172.133   14.226  542.546   77.010  647.945  152.088  506.205   89.304  179.580   23.962  164.687   15.342 14.89337 28.45265 
1 1 1  -25   18   19 o   81.503   19.085  104.794   75.018  261.215  114.118 -14.2419   99.551  108.241   29.170   54.766   24.617 53.47473 38.16904 
1 1 1  -25   19    4 o  152.360   36.988  569.399  197.182   0.0000   0.0000  569.399  197.182  ?   ?   152.360   36.988      ?      ? 
1 1 1  -25   19    6 o   56.048   15.064   51.506   41.620  -9.3613   83.926   71.357   47.929   51.352   22.876   60.744   19.607 -9.392666 30.12856 
1 1 1  -25   19    8 o  100.113   18.405  197.367   62.142  272.352  112.054  164.063   74.677  111.433   28.375   88.794   23.448 22.63960 36.80944 
1 1 1  -25   19   10 o   63.566   19.117   29.939   74.006  -3.2224   94.851   81.539  118.317   55.109   24.447   72.023   29.397 -16.91397 38.23379 
1 1 1  -25   19   12 o  126.228   18.592  326.967   74.280  358.142  140.250  314.814   87.570  125.011   31.697  127.445   19.441 -2.433754 37.18410 
1 1 1  -25   19   14 o   43.925   21.126 -111.3290   96.252   0.0000   0.0000 -111.3290   96.252  ?   ?    43.925   21.126      ?      ? 
1 1 1  -24    0    2 o  229.485   11.445  950.394  129.786  950.394  129.786  950.394  129.786  229.485   16.186  229.485   16.186 -0.000000 0.000000 
1 1 1  -24    0    4 o  112.790   12.417  242.010   64.949  242.010   64.949  242.010   64.949  112.790   17.560  112.790   17.560 -0.000000 0.000000 
1 1 1  -24    0    6 o  336.748   12.016  2033.06  201.083  2033.06  201.083  2033.06  201.083  336.748   16.993  336.748   16.993 -0.000000 0.000000 
1 1 1  -24    0    8 o   93.193   12.954  171.102   53.693  171.102   53.693  171.102   53.693   93.193   18.319   93.193   18.319 -0.000000 0.000000 
1 1 1  -24    0   10 f  362.681   12.059  2356.03  217.507  2356.03  217.507  2356.03  217.507  362.681   17.054  362.681   17.054 -0.000000 0.000000 
1 1 1  -24    0   12 o  205.405   11.276  763.492  114.167  763.492  114.167  763.492  114.167  205.405   15.947  205.405   15.947 -0.000000 0.000000 
1 1 1  -24    0   14 o  224.578   11.332  910.365  125.716  910.365  125.716  910.365  125.716  224.578   16.026  224.578   16.026 -0.000000 0.000000 
1 1 1  -24    0   16 o   56.739   14.995   77.110   39.642   77.110   39.642   77.110   39.642   56.739   21.206   56.739   21.206 -0.000000 0.000000 
1 1 1  -24    0   18 o  358.236   11.962  2299.68  213.113  2299.68  213.113  2299.68  213.113  358.236   16.917  358.236   16.917 -0.000000 0.000000 
1 1 1  -24    0   20 o  337.544   11.958  2043.78  200.593  2043.78  200.593  2043.78  200.593  337.544   16.911  337.544   16.911 -0.000000 0.000000 
1 1 1  -24    0   22 o  260.897   11.768  1226.54  152.033  1226.54  152.033  1226.54  152.033  260.897   16.643  260.897   16.643 -0.000000 0.000000 
1 1 1  -24    0   24 o  293.445   17.062  1578.03  246.368  1578.03  246.368  1578.03  246.368  293.445   24.129  293.445   24.129 -0.000000 0.000000 
1 1 1  -24    0   26 o   77.658   14.817  128.424   49.710  128.424   49.710  128.424   49.710   77.658   20.955   77.658   20.955 -0.000000 0.000000 
1 1 1  -24    0   28 o  294.265   11.983  1560.51  174.920  1560.51  174.920  1560.51  174.920  294.265   16.947  294.265   16.947 -0.000000 0.000000 
1 1 1  -24    0   30 o  835.227   18.527 12691.45  771.765 12691.45  771.765 12691.45  771.765  835.227   26.202  835.227   26.202 -0.000000 0.000000 
1 1 1  -24    0   32 o  463.917   13.588  3885.35  313.852  3885.35  313.852  3885.35  313.852  463.917   19.216  463.917   19.216 -0.000000 0.000000 
1 1 1  -24    0   34 o  136.605   18.575  373.712  113.282  373.712  113.282  373.712  113.282  136.605   26.269  136.605   26.269 -0.000000 0.000000 
1 1 1  -24    0   36 o   31.080   13.579   13.763   41.554   13.763   41.554   13.763   41.554   31.080   19.203   31.080   19.203 -0.000000 0.000000 
1 1 1  -24    1    1 o  187.264   10.991  627.525   72.670  661.914  103.011  593.454  102.532  192.430   15.146  182.097   15.931 10.33282 21.98133 
1 1 1  -24    1    3 o  294.147   11.574  1549.17  120.329  1548.04  170.127  1550.30  170.215  294.039   16.370  294.255   16.366 -0.2159729 23.14812 
1 1 1  -24    1    5 o  389.606   12.476  2724.51  171.637  2861.81  242.876  2587.53  242.587  399.562   17.198  379.651   18.079 19.91107 24.95209 
1 1 1  -24    1    7 o  151.298   10.812  409.386   57.762  389.341   81.816  429.305   81.560  147.558   15.688  155.037   14.884 -7.478729 21.62490 
1 1 1  -24    1    9 o  168.711   10.813  508.782   64.447  527.038   91.253  490.614   91.031  171.763   15.031  165.659   15.547 6.103760 21.62551 
1 1 1  -24    1   11 o  194.723   10.798  677.820   74.279  703.556  105.175  652.209  104.920  198.451   14.995  190.995   15.542 7.455444 21.59639 
1 1 1  -24    1   13 o   64.759   11.530   77.285   28.110  117.402   39.888   37.708   39.619   79.864   14.672   49.654   17.789 30.20984 23.05900 
1 1 1  -24    1   15 o  363.131   12.126  2364.63  155.621  2332.88  219.909  2396.48  220.253  360.658   17.252  365.605   17.045 -4.947296 24.25157 
1 1 1  -24    1   17 o  203.767   11.425  744.389   82.166  785.647  115.847  702.623  116.559  209.539   15.642  197.995   16.656 11.54457 22.84951 
1 1 1  -24    1   19 o  359.622   12.059  2323.02  152.956  2498.25  216.691  2149.01  215.937  373.350   16.421  345.893   17.663 27.45709 24.11711 
1 1 1  -24    1   21 o  182.528   11.209  596.882   72.099  657.962  103.158  538.551  100.810  191.754   15.221  173.302   16.458 18.45251 22.41753 
1 1 1  -24    1   23 o  474.518   17.035  4162.68  266.821  4266.55  326.694  3954.57  462.411  486.386   19.004  462.651   28.278 23.73557 34.07071 
1 1 1  -24    1   25 o  563.364   29.896  5920.22  595.282  5920.22  595.282   0.0000   0.0000  563.364   29.896  ?   ?       ?      ? 
1 1 1  -24    1   27 o  345.228   12.278  2148.95  149.774  2206.50  211.949  2091.55  211.676  349.933   17.137  340.522   17.588 9.411163 24.55583 
1 1 1  -24    1   29 o  312.036   11.790  1757.15  129.842  1869.14  183.913  1645.87  183.335  322.148   16.152  301.924   17.180 20.22430 23.58095 
1 1 1  -24    1   31 o  356.860   15.261  2302.24  182.666  2225.53  223.880  2455.00  315.931  350.100   18.093  363.620   24.582 -13.52002 30.52285 
1 1 1  -24    1   33 o  407.283   16.185  3100.99  218.381  3143.37  267.725  3016.72  377.505  415.071   18.249  399.495   26.736 15.57623 32.37022 
1 1 1  -24    1   35 o  311.945   24.497  1841.34  270.087   0.0000   0.0000  1841.34  270.087  ?   ?   311.945   24.497      ?      ? 
1 1 1  -24    1   37 o  282.447   24.261  1534.96  242.197   0.0000   0.0000  1534.96  242.197  ?   ?   282.447   24.261      ?      ? 
1 1 1  -24    2    2 o  135.917   11.070  330.530   53.145  345.701   75.408  315.556   74.913  139.049   15.344  132.785   15.962 6.264175 22.14070 
1 1 1  -24    2    4 o  218.610   11.184  855.839   86.255  794.823  121.822  917.178  122.145  210.696   16.359  226.525   15.256 -15.82848 22.36859 
1 1 1  -24    2    6 o   94.409   11.631  161.914   38.049  164.508   54.071  159.370   53.551   95.891   15.954   92.927   16.928 2.963554 23.26138 
1 1 1  -24    2    8 o  193.043   10.813  666.008   73.773  670.877  104.517  661.173  104.146  193.750   15.262  192.335   15.320 1.414490 21.62521 
1 1 1  -24    2   10 o  256.363   14.026  1181.19  120.012  1191.11  207.205  1176.18  147.220  256.380   22.866  256.345   16.249 0.3536987E-01 28.05159 
1 1 1  -24    2   12 o  401.828   12.576  2897.98  178.583  2840.83  252.579  2955.10  252.531  397.804   17.964  405.851   17.605 -8.046478 25.15226 
1 1 1  -24    2   14 o  394.095   12.569  2787.87  175.076  2787.30  247.468  2788.44  247.721  394.057   17.768  394.133   17.783 -0.7574463E-01 25.13827 
1 1 1  -24    2   16 o  305.889   11.602  1676.44  125.405  1635.54  177.326  1717.35  177.372  302.106   16.607  309.672   16.206 -7.565491 23.20374 
1 1 1  -24    2   18 o  136.064   12.685  319.645   58.443  377.960  101.123  290.398   71.615  144.777   19.762  127.351   15.910 17.42535 25.37086 
1 1 1  -24    2   20 o  338.812   12.173  2063.12  145.441  2229.83  206.289  1898.36  205.087  352.636   16.551  324.988   17.855 27.64835 24.34604 
1 1 1  -24    2   22 o  556.290   14.189  5594.62  278.685  5895.60  394.592  5295.08  393.651  571.546   19.533  541.033   20.586 30.51263 28.37824 
1 1 1  -24    2   24 o  587.841   21.503  6449.07  446.731  6355.79  631.041  6542.80  632.507  583.378   30.605  592.303   30.214 -8.924438 43.00581 
1 1 1  -24    2   26 o  185.531   14.052  621.182   86.277  631.591  151.670  616.202  104.903  185.866   23.088  185.196   16.026 0.6694794 28.10489 
1 1 1  -24    2   28 o  325.018   14.817  1903.59  161.437  1858.96  198.122  1991.78  278.487  320.899   17.468  329.136   23.939 -8.237274 29.63468 
1 1 1  -24    2   30 o  211.664   14.270  819.807  100.621  825.372  123.642  808.894  173.146  213.863   16.357  209.464   23.387 4.398468 28.53998 
1 1 1  -24    2   32 o   86.768   16.899  135.127   53.518  197.220   86.020   95.913   68.360  101.037   24.370   72.499   23.417 28.53812 33.79733 
1 1 1  -24    2   34 o  111.135   17.965  246.646   72.593  144.162  106.353  336.045   99.332   87.504   29.258  134.766   20.854 -47.26105 35.92972 
1 1 1  -24    2   36 o  184.067   16.312  640.623  105.716  717.718  152.666  569.597  146.533  195.182   22.130  172.952   23.971 22.22949 32.62455 
1 1 1  -24    2   38 f   40.221   16.673   10.357   38.833   0.0000   0.0000   10.357   38.833  ?   ?    40.221   16.673      ?      ? 
1 1 1  -24    2   40 o   87.010   17.466  147.462   51.846   0.0000   0.0000  147.462   51.846  ?   ?    87.010   17.466      ?      ? 
1 1 1  -24    3    1 o  128.905   10.811  296.011   49.154  315.651   72.379  279.200   66.964  132.846   15.415  124.964   15.161 7.881233 21.62154 
1 1 1  -24    3    3 o  305.315   11.681  1669.81  126.050  1687.51  178.513  1652.21  178.012  306.945   16.455  303.685   16.585 3.259399 23.36249 
1 1 1  -24    3    5 o  158.973   11.136  453.347   62.331  410.008   88.423  496.153   87.878  151.301   16.535  166.644   14.920 -15.34346 22.27132 
1 1 1  -24    3    7 o  262.249   11.338  1231.27  105.011  1177.41  148.491  1285.15  148.526  256.438   16.383  268.060   15.677 -11.62204 22.67508 
1 1 1  -24    3    9 o  433.978   12.668  3381.32  194.258  3291.56  274.862  3470.89  274.582  428.129   18.164  439.828   17.663 -11.69812 25.33637 
1 1 1  -24    3   11 o  335.460   11.853  2016.79  140.475  1951.78  198.712  2081.74  198.611  329.978   17.038  340.942   16.482 -10.96338 23.70528 
1 1 1  -24    3   13 o  195.115   10.830  682.225   74.398  751.419  105.323  613.315  105.105  205.126   14.527  185.105   16.065 20.02136 21.65944 
1 1 1  -24    3   15 o  252.995   11.382  1146.16  101.739  1108.60  143.531  1184.08  144.233  248.783   16.323  257.208   15.866 -8.425400 22.76325 
1 1 1  -24    3   17 o  557.184   14.301  5608.69  281.110  6005.18  398.042  5214.16  397.059  577.253   19.509  537.116   20.915 40.13751 28.60192 
1 1 1  -24    3   19 o  324.171   11.858  1886.35  135.628  2022.19  192.469  1752.37  191.151  335.929   16.210  312.413   17.311 23.51599 23.71614 
1 1 1  -24    3   21 o  485.413   13.646  4253.59  233.691  4556.84  331.004  3952.23  329.975  503.018   18.618  467.808   19.957 35.21017 27.29291 
1 1 1  -24    3   23 o  218.910   16.068  872.308  124.263  836.658  174.008  909.407  177.512  214.275   22.976  223.545   22.467 -9.269623 32.13520 
1 1 1  -24    3   25 o  111.912   14.776  227.034   54.623  216.865   67.369  246.548   93.322  109.732   17.370  114.092   23.907 -4.360214 29.55148 
1 1 1  -24    3   27 o  317.067   17.416  1852.38  194.911  1762.09  277.267  1940.59  274.052  309.026   25.385  325.108   23.850 -16.08127 34.83150 
1 1 1  -24    3   29 o  419.343   18.795  3273.93  278.513  3215.45  395.201  3331.62  392.567  415.350   26.921  423.337   26.237 -7.987366 37.59088 
1 1 1  -24    3   31 o  391.031   26.125  2861.72  361.073  2861.72  361.073   0.0000   0.0000  391.031   26.125  ?   ?       ?      ? 
1 1 1  -24    3   33 o   72.554   16.075   88.852   46.642  142.146   73.933   53.619   60.113   85.881   23.620   59.226   21.812 26.65414 32.15034 
1 1 1  -24    3   35 o  142.735   25.984  399.096  126.258  399.096  126.258   0.0000   0.0000  142.735   25.984  ?   ?       ?      ? 
1 1 1  -24    3   37 o  298.823   15.085  1683.38  148.987  1715.81  261.310  1667.75  181.352  297.332   24.865  300.314   17.085 -2.981995 30.16948 
1 1 1  -24    3   39 o  186.127   23.702  684.494  155.921   0.0000   0.0000  684.494  155.921  ?   ?   186.127   23.702      ?      ? 
1 1 1  -24    3   41 o  147.987   15.971  413.610   83.538   0.0000   0.0000  413.610   83.538  ?   ?   147.987   15.971      ?      ? 
1 1 1  -24    4    2 o  139.105   11.281  349.918   54.878  310.136   80.417  384.591   75.077  131.472   17.306  146.738   14.476 -15.26582 22.56210 
1 1 1  -24    4    4 o  267.905   11.295  1284.01  106.895  1343.11  152.932  1227.56  149.471  273.968   15.793  261.843   16.151 12.12500 22.58949 
1 1 1  -24    4    6 o  150.792   11.114  409.526   58.770  378.473   86.575  436.065   80.036  145.317   16.856  156.267   14.491 -10.95020 22.22864 
1 1 1  -24    4    8 o   40.729   10.152   23.347   19.367   4.7892   28.099   40.142   26.731   34.053   14.155   47.404   14.556 -13.35060 20.30330 
1 1 1  -24    4   10 o  204.119   11.084  744.712   79.931  775.839  114.791  715.414  111.366  208.269   15.594  199.969   15.757 8.299973 22.16883 
1 1 1  -24    4   12 o  271.947   11.171  1323.15  107.363  1347.86  152.847  1299.09  150.842  274.462   15.756  269.433   15.840 5.028656 22.34192 
1 1 1  -24    4   14 o  152.786   11.080  417.277   59.646  463.776   85.901  373.987   82.884  161.065   15.090  144.506   16.228 16.55931 22.15942 
1 1 1  -24    4   16 o  398.701   12.444  2854.46  175.362  2859.76  248.631  2849.22  247.372  399.059   17.628  398.344   17.570 0.7155151 24.88867 
1 1 1  -24    4   18 o  271.565   11.795  1324.18  112.872  1449.92  160.429  1200.93  158.834  284.515   15.954  258.614   17.377 25.90182 23.58967 
1 1 1  -24    4   20 o  247.470   11.351  1097.73   99.130  1178.05  141.267  1019.82  139.139  256.489   15.583  238.451   16.509 18.03784 22.70224 
1 1 1  -24    4   22 o  373.950   17.806  2589.44  230.818  3156.73  326.861  2025.16  325.993  416.740   22.191  331.160   27.852 85.57941 35.61111 
1 1 1  -24    4   24 o  409.837   16.280  3133.95  219.430  3268.03  269.214  2868.55  378.751  425.792   17.889  393.882   27.206 31.91046 32.56050 
1 1 1  -24    4   26 o  376.978   17.927  2619.06  238.752  2725.31  340.203  2515.96  335.147  384.713   25.020  369.243   25.680 15.46939 35.85343 
1 1 1  -24    4   28 o  120.788   24.380  277.655  100.496   0.0000   0.0000  277.655  100.496  ?   ?   120.788   24.380      ?      ? 
1 1 1  -24    4   30 o  482.386   19.604  4375.23  333.977  4596.45  475.228  4159.35  469.453  495.016   27.162  469.757   28.275 25.25940 39.20764 
1 1 1  -24    4   32 o  438.171   27.117  3632.26  419.964   0.0000   0.0000  3632.26  419.964  ?   ?   438.171   27.117      ?      ? 
1 1 1  -24    4   34 o  196.182   15.355  737.073   95.934  665.519  173.688  768.485  115.081  186.774   26.311  205.591   15.837 -18.81671 30.70961 
1 1 1  -24    4   36 o  216.662   14.831  881.698  104.719  883.122  187.647  881.054  126.199  214.216   24.784  219.108   16.296 -4.891785 29.66129 
1 1 1  -24    4   38 o  335.682   15.889  2184.05  175.074  2175.94  308.093  2187.92  212.764  329.508   26.454  341.856   17.609 -12.34808 31.77901 
1 1 1  -24    4   40 o  217.822   16.280  893.531  125.338   0.0000   0.0000  893.531  125.338  ?   ?   217.822   16.280      ?      ? 
1 1 1  -24    5    1 o  229.593   11.211  950.912   89.944  789.764  127.368  1111.21  127.033  209.783   17.178  249.404   14.411 -39.62042 22.42224 
1 1 1  -24    5    3 o  254.570   10.888  1167.49   96.922  976.234  137.282  1357.56  136.856  233.376   16.643  275.765   14.041 -42.38983 21.77507 
1 1 1  -24    5    5 o  238.804   11.105  1020.84   93.695  999.250  133.348  1041.89  131.678  236.259   15.969  241.349   15.437 -5.090042 22.21027 
1 1 1  -24    5    7 o  363.002   11.841  2367.20  151.445  2162.02  214.778  2570.10  213.577  347.084   17.508  378.920   15.947 -31.83548 23.68214 
1 1 1  -24    5    9 o  159.049   11.166  452.320   62.743  470.628   90.140  435.112   87.388  162.177   15.726  155.921   15.857 6.255585 22.33273 
1 1 1  -24    5   11 o  186.467   11.068  621.017   72.866  662.237  105.390  583.268  100.856  192.407   15.497  180.527   15.807 11.87982 22.13629 
1 1 1  -24    5   13 o  280.944   11.502  1413.27  114.122  1492.58  163.114  1337.21  159.724  288.727   15.984  273.161   16.544 15.56628 23.00386 
1 1 1  -24    5   15 o   43.407   10.965   22.914   22.280   48.345   34.149   4.0670   29.399   52.284   16.516   34.531   14.426 17.75312 21.92907 
1 1 1  -24    5   17 o   96.685   12.320  168.580   40.522  229.551   60.909  120.165   54.276  113.274   15.214   80.095   19.382 33.17819 24.63968 
1 1 1  -24    5   19 o  360.873   15.678  2361.74  188.537  2358.54  231.184  2368.09  325.786  362.099   18.064  359.646   25.629 2.453949 31.35547 
1 1 1  -24    5   21 o  281.703   17.043  1449.53  169.648  1441.59  242.324  1457.16  237.584  280.828   24.414  282.577   23.788 -1.749817 34.08681 
1 1 1  -24    5   23 o  203.001   24.296  754.972  174.323  754.972  174.323   0.0000   0.0000  203.001   24.296  ?   ?       ?      ? 
1 1 1  -24    5   25 o  137.758   18.732  364.423   88.022  302.099  131.432  415.110  118.529  124.704   30.151  150.811   22.237 -26.10701 37.46425 
1 1 1  -24    5   27 o  156.286   17.961  459.252   96.094  440.217  143.538  474.713  129.360  151.641   27.806  160.930   22.743 -9.288879 35.92201 
1 1 1  -24    5   29 o  354.150   17.635  2326.23  220.553  2460.50  316.081  2198.82  307.898  364.369   24.544  343.931   25.329 20.43829 35.26946 
1 1 1  -24    5   31 o  147.038   13.781  358.915   65.349  489.276  127.427  312.397   76.121  162.742   22.153  131.334   16.399 31.40788 27.56239 
1 1 1  -24    5   33 o  348.221   15.632  2251.04  178.592  2272.25  317.359  2241.21  216.047  346.093   25.944  350.349   17.447 -4.255707 31.26496 
1 1 1  -24    5   35 o  292.497   15.182  1600.49  145.545  1620.01  258.993  1591.47  175.957  290.537   25.221  294.458   16.907 -3.920227 30.36368 
1 1 1  -24    5   37 o  314.696   15.009  1847.41  156.396  2012.81  277.821  1770.67  189.227  320.941   24.492  308.450   17.357 12.49072 30.01855 
1 1 1  -24    5   39 o  145.260   14.132  386.560   67.740  467.361  123.721  351.967   80.953  153.728   22.770  136.791   16.744 16.93733 28.26374 
1 1 1  -24    6    2 o   88.534   16.935  118.439   47.380  216.490  102.268   91.641   53.464  106.619   27.085   70.448   20.338 36.17080 33.87098 
1 1 1  -24    6    4 o  255.091   11.194  1172.45  100.009  996.879  141.869  1345.89  141.004  235.726   17.028  274.456   14.536 -38.72995 22.38834 
1 1 1  -24    6    6 o  501.414   13.743  4538.14  242.915  4171.11  344.006  4903.16  343.062  480.747   20.246  522.081   18.592 -41.33432 27.48683 
1 1 1  -24    6    8 o  115.622   11.488  239.407   46.937  246.056   66.923  232.969   65.848  117.210   16.154  114.033   16.338 3.176826 22.97569 
1 1 1  -24    6   10 o  262.397   11.822  1235.69  109.514  1179.77  155.884  1290.19  153.887  256.420   17.200  268.375   16.223 -11.95535 23.64399 
1 1 1  -24    6   12 o  225.013   11.904  908.849   94.577  881.450  135.426  934.934  132.139  221.609   17.290  228.416   16.368 -6.806885 23.80839 
1 1 1  -24    6   14 o  139.390   11.486  347.453   56.518  371.579   81.858  325.475   78.130  144.024   16.081  134.757   16.404 9.267548 22.97124 
1 1 1  -24    6   16 o  291.684   16.711  1548.33  172.254  1510.95  241.677  1586.92  245.577  288.069   23.737  295.299   23.529 -7.229218 33.42221 
1 1 1  -24    6   18 o  531.708   20.578  5229.85  386.681  5208.30  549.536  5250.98  544.201  530.451   29.311  532.965   28.890 -2.513672 41.15508 
1 1 1  -24    6   20 o  163.169   20.576  533.218  110.741  329.210  164.585  701.984  149.695  129.665   35.068  196.674   21.535 -67.00897 41.15227 
1 1 1  -24    6   24 o  211.464   16.668  816.774  124.386  868.854  182.015  771.141  170.378  217.745   23.650  205.184   23.494 12.56062 33.33608 
1 1 1  -24    6   26 o  276.155   16.998  1401.33  165.800  1461.47  239.648  1346.12  229.625  281.821   24.059  270.489   24.019 11.33203 33.99617 
1 1 1  -24    6   28 o  458.074   15.852  3781.56  242.221  4084.40  424.799  3635.66  294.850  468.696   25.643  447.453   18.644 21.24289 31.70431 
1 1 1  -24    6   30 o  401.607   16.702  3048.30  218.697  2837.13  384.295  3149.44  265.965  387.149   28.084  416.065   18.086 -28.91568 33.40421 
1 1 1  -24    6   32 o  391.423   15.898  2829.98  205.556  2912.73  362.600  2790.79  249.525  392.108   26.164  390.739   18.068 1.368774 31.79618 
1 1 1  -24    6   34 o  218.387   14.875  869.511  104.185  942.552  195.883  840.698  123.030  222.255   24.936  214.519   16.226 7.736084 29.75056 
1 1 1  -24    6   36 o  280.803   15.542  1498.97  141.214  1515.29  256.248  1491.86  169.231  277.635   26.114  283.972   16.861 -6.336975 31.08397 
1 1 1  -24    6   38 o  258.349   14.705  1231.77  123.693  1444.81  230.011  1145.09  146.714  269.534   24.144  247.165   16.794 22.36852 29.41090 
1 1 1  -24    7    1 o  262.716   14.448  1356.08  120.192  962.500  204.005  1565.33  148.751  229.445   25.156  295.987   14.219 -66.54301 28.89648 
1 1 1  -24    7    3 o   40.456   11.521   12.383   25.636   22.632   35.760   1.5468   36.771   43.275   16.628   37.638   15.952 5.636974 23.04225 
1 1 1  -24    7    5 o  332.145   11.874  1979.47  139.346  1943.28  198.375  2014.71  195.781  329.070   17.056  335.220   16.524 -6.149994 23.74780 
1 1 1  -24    7    7 o  396.929   15.536  2851.31  205.826  2867.24  354.874  2843.24  252.665  396.130   25.346  397.728   17.974 -1.597565 31.07241 
1 1 1  -24    7    9 o  454.263   13.028  3717.09  208.767  3459.71  295.632  3973.11  294.852  438.265   19.085  470.262   17.740 -31.99750 26.05636 
1 1 1  -24    7   11 o  299.651   15.389  1673.60  149.636  1500.88  263.313  1755.98  181.854  286.321   26.020  312.981   16.439 -26.66058 30.77770 
1 1 1  -24    7   13 o  104.697   15.642  208.433   53.426  219.298   64.719  185.189   94.663  110.586   16.558   98.807   26.542 11.77919 31.28333 
1 1 1  -24    7   15 o  165.032   17.406  500.066  100.872  458.402  146.752  537.382  138.884  158.113   26.260  171.950   22.852 -13.83736 34.81113 
1 1 1  -24    7   17 o  107.756   30.070  222.154  118.875  222.154  118.875   0.0000   0.0000  107.756   30.070  ?   ?       ?      ? 
1 1 1  -24    7   19 o  652.971   23.234  8020.73  535.841  7724.59  759.432  8314.32  756.167  640.105   33.567  665.837   32.131 -25.73248 46.46716 
1 1 1  -24    7   23 o   78.187   16.926  113.382   46.429   91.877   99.327  119.395   52.520   76.670   28.068   79.703   18.926 -3.032890 33.85221 
1 1 1  -24    7   25 o  294.564   15.169  1591.18  145.898  1562.43  260.257  1604.35  176.187  290.775   25.324  298.353   16.708 -7.578033 30.33877 
1 1 1  -24    7   27 o  132.936   17.098  347.873   66.742  300.880  132.791  363.756   77.201  123.716   30.550  142.156   15.365 -18.44009 34.19650 
1 1 1  -24    7   29 o   83.015   17.848  119.450   45.749  136.143  117.250  116.452   49.687   87.515   30.676   78.515   18.251 9.000862 35.69519 
1 1 1  -24    7   31 f  607.752   18.888  6928.37  381.211  7239.43  666.950  6777.43  464.579  610.747   30.897  604.757   21.735 5.990662 37.77580 
1 1 1  -24    7   33 o  442.078   16.448  3644.42  240.677  3803.13  423.818  3568.88  292.398  444.298   26.989  439.857   18.808 4.440247 32.89590 
1 1 1  -24    7   35 o  222.433   15.415  937.665  109.977  941.913  202.261  935.881  131.042  219.470   26.075  225.397   16.449 -5.926620 30.82944 
1 1 1  -24    7   37 o  138.064   14.908  298.908   61.072  512.852  140.561  249.121   67.807  160.604   24.762  115.525   16.606 45.07953 29.81511 
1 1 1  -24    7   39 o  232.346   14.733  970.993  108.104  1280.53  216.232  867.846  124.822  250.510   24.422  214.182   16.489 36.32765 29.46691 
1 1 1  -24    8    2 o  108.109   17.154  222.003   64.002  243.413   89.349  199.439   91.724  113.783   23.008  102.436   25.448 11.34678 34.30703 
1 1 1  -24    8    4 o  299.200   14.552  1619.21  145.562  1617.12  249.768  1620.29  179.126  297.938   23.719  300.462   16.867 -2.523651 29.10478 
1 1 1  -24    8    6 o  300.906   14.815  1713.67  144.900  1427.12  248.425  1861.41  178.387  279.407   25.156  322.405   15.655 -42.99716 29.62902 
1 1 1  -24    8    8 f   67.897   24.399   72.282   74.586   0.0000   0.0000   72.282   74.586  ?   ?    67.897   24.399      ?      ? 
1 1 1  -24    8   10 o  121.381   26.455  279.928  110.289   0.0000   0.0000  279.928  110.289  ?   ?   121.381   26.455      ?      ? 
1 1 1  -24    8   12 o  261.911   23.824  1249.97  220.540   0.0000   0.0000  1249.97  220.540  ?   ?   261.911   23.824      ?      ? 
1 1 1  -24    8   14 o  223.965   17.115  916.576  135.230  891.189  195.512  939.862  187.243  220.733   25.060  227.197   23.318 -6.464050 34.23043 
1 1 1  -24    8   16 o  242.186   17.032  1067.79  145.561  1145.15  212.742  999.685  199.594  250.425   24.036  233.947   24.138 16.47783 34.06426 
1 1 1  -24    8   18 o  487.534   20.028  4408.34  344.851  4251.47  490.044  4562.23  485.377  478.403   28.982  496.665   27.650 -18.26208 40.05561 
1 1 1  -24    8   20 o   64.485   18.443   76.921   44.154   0.0000   0.0000   76.921   44.154  ?   ?    64.485   18.443      ?      ? 
1 1 1  -24    8   22 o   67.562   16.519   58.481   38.179  119.789   93.868   46.328   41.792   82.081   27.487   53.043   18.330 29.03817 33.03849 
1 1 1  -24    8   24 o  449.564   16.475  3691.84  245.064  3765.75  430.649  3656.44  298.023  449.912   27.082  449.216   18.770 0.6964722 32.95066 
1 1 1  -24    8   26 o  139.625   17.464  358.963   70.639  382.431  148.438  352.092   80.317  139.553   30.909  139.697   16.267 -0.1440887 34.92815 
1 1 1  -24    8   28 o  282.404   17.347  1482.49  172.964  1534.16  251.658  1436.22  238.120  286.893   24.818  277.915   24.242 8.977875 34.69299 
1 1 1  -24    8   30 o  353.021   15.062  2268.77  175.285  2404.97  312.863  2206.46  211.615  357.905   24.732  348.136   17.198 9.769501 30.12411 
1 1 1  -24    8   32 o  452.336   15.538  3704.93  233.967  4204.46  415.837  3473.56  283.013  470.204   25.022  434.469   18.430 35.73517 31.07657 
1 1 1  -24    8   34 o  485.782   17.277  4492.46  277.689  4709.71  488.784  4388.92  337.434  487.301   28.379  484.263   19.715 3.037567 34.55491 
1 1 1  -24    8   36 o  103.797   18.603  203.313   55.989  256.651  133.992  192.029   61.627  107.809   32.483   99.784   18.142 8.024902 37.20592 
1 1 1  -24    8   38 o  176.196   17.618  653.345   91.891  588.738  173.363  678.589  108.367  162.516   31.317  189.877   16.147 -27.36110 35.23502 
1 1 1  -24    9    1 o  355.505   24.867  2317.36  312.452   0.0000   0.0000  2317.36  312.452  ?   ?   355.505   24.867      ?      ? 
1 1 1  -24    9   13 o  220.774   23.728  889.630  185.150   0.0000   0.0000  889.630  185.150  ?   ?   220.774   23.728      ?      ? 
1 1 1  -24    9   15 o  277.135   24.055  1404.85  235.618   0.0000   0.0000  1404.85  235.618  ?   ?   277.135   24.055      ?      ? 
1 1 1  -24    9   17 o  171.804   16.457  530.443   99.929   0.0000   0.0000  530.443   99.929  ?   ?   171.804   16.457      ?      ? 
1 1 1  -24    9   19 o   94.548   19.027  167.147   61.381   0.0000   0.0000  167.147   61.381  ?   ?    94.548   19.027      ?      ? 
1 1 1  -24    9   21 o  114.504   24.127  249.174   94.565   0.0000   0.0000  249.174   94.565  ?   ?   114.504   24.127      ?      ? 
1 1 1  -24    9   23 o  283.901   16.643  1453.26  167.005   0.0000   0.0000  1453.26  167.005  ?   ?   283.901   16.643      ?      ? 
1 1 1  -24    9   25 o  321.201   16.662  1863.98  189.161   0.0000   0.0000  1863.98  189.161  ?   ?   321.201   16.662      ?      ? 
1 1 1  -24    9   27 o  249.065   16.417  1122.79  144.523   0.0000   0.0000  1122.79  144.523  ?   ?   249.065   16.417      ?      ? 
1 1 1  -24    9   29 o  260.252   23.946  1267.25  220.262   0.0000   0.0000  1267.25  220.262  ?   ?   260.252   23.946      ?      ? 
1 1 1  -24    9   31 o   49.673   16.657   42.782   34.470   0.0000   0.0000   42.782   34.470  ?   ?    49.673   16.657      ?      ? 
1 1 1  -24    9   33 o  161.942   15.432  479.985   88.326   0.0000   0.0000  479.985   88.326  ?   ?   161.942   15.432      ?      ? 
1 1 1  -24    9   35 o  199.631   15.898  738.540  112.171   0.0000   0.0000  738.540  112.171  ?   ?   199.631   15.898      ?      ? 
1 1 1  -24    9   37 o  391.097   18.395  2925.46  254.277   0.0000   0.0000  2925.46  254.277  ?   ?   391.097   18.395      ?      ? 
1 1 1  -24   10    4 o  293.299   27.176  1589.61  281.715  1589.61  281.715   0.0000   0.0000  293.299   27.176  ?   ?       ?      ? 
1 1 1  -24   10   12 o   55.048   19.861   46.429   49.476   0.0000   0.0000   46.429   49.476  ?   ?    55.048   19.861      ?      ? 
1 1 1  -24   10   14 o  150.811   22.396  414.602  119.376   0.0000   0.0000  414.602  119.376  ?   ?   150.811   22.396      ?      ? 
1 1 1  -24   10   16 o  235.493   22.946  1013.38  190.986   0.0000   0.0000  1013.38  190.986  ?   ?   235.493   22.946      ?      ? 
1 1 1  -24   10   18 o   96.322   23.801  176.652   80.559   0.0000   0.0000  176.652   80.559  ?   ?    96.322   23.801      ?      ? 
1 1 1  -24   10   20 o   55.761   20.034   48.414   50.285   0.0000   0.0000   48.414   50.285  ?   ?    55.761   20.034      ?      ? 
1 1 1  -24   10   22 o   71.230   22.356   92.653   62.668   0.0000   0.0000   92.653   62.668  ?   ?    71.230   22.356      ?      ? 
1 1 1  -24   10   24 o  251.806   23.312  1170.97  207.472   0.0000   0.0000  1170.97  207.472  ?   ?   251.806   23.312      ?      ? 
1 1 1  -24   10   26 o  143.232   23.118  380.321  117.036   0.0000   0.0000  380.321  117.036  ?   ?   143.232   23.118      ?      ? 
1 1 1  -24   10   28 o   84.286   22.855  136.835   69.802   0.0000   0.0000  136.835   69.802  ?   ?    84.286   22.855      ?      ? 
1 1 1  -24   10   30 o  237.773   23.235  1065.21  195.269   0.0000   0.0000  1065.21  195.269  ?   ?   237.773   23.235      ?      ? 
1 1 1  -24   11    1 o  255.783   18.704  1220.81  167.506  1078.02  242.809  1350.49  231.382  240.427   28.573  271.140   24.144 -30.71274 37.40835 
1 1 1  -24   11    3 o  280.609   24.488  1446.61  242.873   0.0000   0.0000  1446.61  242.873  ?   ?   280.609   24.488      ?      ? 
1 1 1  -24   11    5 o  164.099   26.203  497.060  151.978   0.0000   0.0000  497.060  151.978  ?   ?   164.099   26.203      ?      ? 
1 1 1  -24   11    7 o  127.856   23.815  308.029  103.662   0.0000   0.0000  308.029  103.662  ?   ?   127.856   23.815      ?      ? 
1 1 1  -24   11    9 o   94.703   19.051  185.117   80.510 -55.9908  152.492  278.299   94.799   67.758   30.461  121.648   22.889 -53.89030 38.10189 
1 1 1  -24   11   11 o  144.913   19.310  376.104   91.060  454.570  163.422  340.772  109.662  153.225   31.235  136.602   22.713 16.62350 38.62052 
1 1 1  -24   11   13 o  207.178   22.638  784.140  165.766   0.0000   0.0000  784.140  165.766  ?   ?   207.178   22.638      ?      ? 
1 1 1  -24   11   17 o  197.743   22.593  715.704  157.907   0.0000   0.0000  715.704  157.907  ?   ?   197.743   22.593      ?      ? 
1 1 1  -24   11   19 o  125.560   23.850  298.724  101.973   0.0000   0.0000  298.724  101.973  ?   ?   125.560   23.850      ?      ? 
1 1 1  -24   11   21 o  472.851   27.651  4189.01  462.120   0.0000   0.0000  4189.01  462.120  ?   ?   472.851   27.651      ?      ? 
1 1 1  -24   11   23 o  287.051   23.815  1527.08  241.623   0.0000   0.0000  1527.08  241.623  ?   ?   287.051   23.815      ?      ? 
1 1 1  -24   11   25 o  184.728   22.723  632.587  148.360   0.0000   0.0000  632.587  148.360  ?   ?   184.728   22.723      ?      ? 
1 1 1  -24   11   31 o  233.900   23.381  1048.05  193.289   0.0000   0.0000  1048.05  193.289  ?   ?   233.900   23.381      ?      ? 
1 1 1  -24   11   33 o   59.790   20.046   65.873   49.927   0.0000   0.0000   65.873   49.927  ?   ?    59.790   20.046      ?      ? 
1 1 1  -24   11   35 o   57.017   19.661   59.653   48.067   0.0000   0.0000   59.653   48.067  ?   ?    57.017   19.661      ?      ? 
1 1 1  -24   12    2 f   89.140   20.406  145.420   78.680   56.123  123.203  206.918  102.244   74.692   30.177  103.587   27.476 -28.89485 40.81124 
1 1 1  -24   12    4 o  235.641   17.037  1001.18  141.892   0.0000   0.0000  1001.18  141.892  ?   ?   235.641   17.037      ?      ? 
1 1 1  -24   12    6 o  165.360   14.567  411.294   75.063  703.179  159.399  328.124   85.088  195.932   23.018  134.789   17.860 61.14264 29.13434 
1 1 1  -24   12    8 o  216.914   14.827  844.990  103.017  884.424  193.088  829.299  121.800  219.090   24.935  214.739   16.048 4.350967 29.65301 
1 1 1  -24   12   10 o  427.638   15.649  3283.23  220.366  3501.65  395.199  3184.67  265.468  435.363   25.683  419.912   17.887 15.45184 31.29777 
1 1 1  -24   12   12 o  233.361   15.596  978.020  113.680  1032.12  222.150  958.825  132.317  235.900   26.644  230.822   16.219 5.078125 31.19201 
1 1 1  -24   12   14 o  249.722   17.450  1215.08  132.483  1011.35  251.886  1292.99  155.770  231.527   30.781  267.917   16.450 -36.39020 34.90078 
1 1 1  -24   12   16 o   83.429   20.144  126.077   64.541   62.069  149.801  140.667   71.520   80.815   33.042   86.043   23.052 -5.228683 40.28887 
1 1 1  -24   12   18 o  269.143   23.455  1334.86  223.121   0.0000   0.0000  1334.86  223.121  ?   ?   269.143   23.455      ?      ? 
1 1 1  -24   12   20 o  244.764   21.237  1187.53  173.074  935.822  274.760  1353.10  222.841  218.883   35.516  270.645   23.296 -51.76173 42.47427 
1 1 1  -24   12   22 o  187.282   21.089  694.228  127.680  617.512  212.459  737.599  159.745  174.826   35.593  199.738   22.628 -24.91191 42.17711 
1 1 1  -24   12   24 f  407.746   26.338  3140.86  379.578   0.0000   0.0000  3140.86  379.578  ?   ?   407.746   26.338      ?      ? 
1 1 1  -24   12   26 o  141.508   22.747  374.490  113.770   0.0000   0.0000  374.490  113.770  ?   ?   141.508   22.747      ?      ? 
1 1 1  -24   12   28 o   72.568   22.435  100.059   63.379   0.0000   0.0000  100.059   63.379  ?   ?    72.568   22.435      ?      ? 
1 1 1  -24   12   32 o   79.293   22.637  126.176   66.577   0.0000   0.0000  126.176   66.577  ?   ?    79.293   22.637      ?      ? 
1 1 1  -24   12   34 o  149.910   23.230  449.537  123.082   0.0000   0.0000  449.537  123.082  ?   ?   149.910   23.230      ?      ? 
1 1 1  -24   13    1 o  186.559   20.124  664.927  127.783  790.458  182.454  544.077  179.019  206.372   25.014  166.746   31.531 39.62611 40.24775 
1 1 1  -24   13    3 o   88.708   17.174   65.816   43.042  316.727  126.262   32.823   45.785  127.631   28.688   49.785   18.890 77.84599 34.34822 
1 1 1  -24   13    5 o   90.284   18.678  168.719   59.092   65.904  140.603  190.776   65.123   79.546   32.202  101.021   18.935 -21.47504 37.35667 
1 1 1  -24   13    7 o  240.789   15.863  1068.60  120.083  1049.41  227.930  1075.97  141.281  237.250   27.182  244.328   16.360 -7.078217 31.72535 
1 1 1  -24   13    9 o  230.786   15.561  1001.55  113.461  912.192  209.316  1038.73  135.018  221.380   26.751  240.192   15.904 -18.81282 31.12199 
1 1 1  -24   13   11 o  274.605   15.969  1398.14  141.359  1345.65  256.204  1421.11  169.493  268.697   26.978  280.513   17.095 -11.81601 31.93808 
1 1 1  -24   13   13 o  273.059   16.102  1428.02  138.611  1230.58  252.187  1513.49  165.920  256.373   27.831  289.744   16.202 -33.37091 32.20352 
1 1 1  -24   13   15 o  452.312   19.764  3841.33  315.867  3830.75  451.539  3851.47  442.019  451.364   28.304  453.261   27.591 -1.897675 39.52721 
1 1 1  -24   13   17 o  404.747   18.198  2975.55  260.328   0.0000   0.0000  2975.55  260.328  ?   ?   404.747   18.198      ?      ? 
1 1 1  -24   13   19 o  286.644   17.114  1492.24  171.249  1775.70  268.946  1298.94  222.091  308.742   24.646  264.546   23.752 44.19620 34.22881 
1 1 1  -24   13   21 o   90.437   18.944  174.182   58.847 -13.8180  180.059  196.663   62.266   76.806   33.896  104.067   16.928 -27.26162 37.88816 
1 1 1  -24   13   23 o   76.823   19.147   92.417   43.863   90.649  151.901   92.578   45.815   83.770   33.626   69.876   18.324 13.89429 38.29456 
1 1 1  -24   13   25 o  242.300   19.007  1180.05  132.926  1020.06  271.940  1230.28  152.370  225.006   34.195  259.595   16.607 -34.58907 38.01404 
1 1 1  -24   13   27 o  116.495   21.005  227.592   62.276  347.491  184.881  212.247   66.141  125.660   38.222  107.330   17.435 18.33055 42.01091 
1 1 1  -24   13   29 o  200.274   17.611  738.916  120.638  978.052  204.676  611.612  149.336  222.837   25.987  177.710   23.776 45.12720 35.22237 
1 1 1  -24   13   31 o   67.778   19.104   72.384   51.265 -18.2895  174.419   80.958   53.634   70.698   32.102   64.858   20.721 5.839813 38.20827 
1 1 1  -24   13   33 o  144.047   23.060  454.220  104.257  513.604  207.506  434.167  120.581  140.995   39.864  147.098   23.193 -6.103210 46.11990 
1 1 1  -24   14    2 o  133.488   18.096  319.967   74.920  382.855  146.543  297.713   87.174  139.255   30.608  127.721   19.311 11.53346 36.19105 
1 1 1  -24   14    4 o  177.417   18.073  634.737   93.940  507.019  176.794  684.983  110.889  160.095   32.357  194.738   16.111 -34.64261 36.14617 
1 1 1  -24   14    6 o  175.902   14.960  532.554   84.476  652.923  163.153  488.464   98.742  187.524   24.616  164.280   17.006 23.24399 29.91903 
1 1 1  -24   14    8 o   65.321   18.219   36.892   40.152  102.598  128.491   29.782   42.269   82.963   31.604   47.679   18.136 35.28387 36.43821 
1 1 1  -24   14   10 o   55.360   18.933   51.748   44.546   0.0000   0.0000   51.748   44.546  ?   ?    55.360   18.933      ?      ? 
1 1 1  -24   14   12 o   63.398   16.927   62.206   46.701 -38.2969  121.246   79.714   50.605   61.030   27.319   65.765   19.996 -4.735088 33.85469 
1 1 1  -24   14   14 o  222.927   16.667  937.219  115.100  883.633  220.550  957.276  134.932  215.866   28.907  229.988   16.599 -14.12242 33.33385 
1 1 1  -24   14   16 o  212.816   15.844  832.694  102.818  845.150  205.837  828.553  118.686  211.493   27.536  214.139   15.681 -2.646820 31.68848 
1 1 1  -24   14   18 o  425.221   19.406  3428.72  291.312  3411.44  421.251  3444.55  403.290  423.446   28.146  426.997   26.722 -3.551270 38.81103 
1 1 1  -24   14   20 o   56.973   16.909   17.277   34.558   63.735  117.998   12.918   36.143   73.774   29.628   40.172   16.304 33.60254 33.81828 
1 1 1  -24   14   22 o  287.160   16.679  1544.97  152.580  1561.27  284.599  1538.39  180.751  284.415   28.311  289.905   17.640 -5.489990 33.35740 
1 1 1  -24   14   24 o  108.553   19.458  223.385   63.055  254.184  144.154  216.097   70.119  110.514   33.780  106.593   19.323 3.921333 38.91608 
1 1 1  -24   14   26 o   76.243   18.152  109.405   48.457   66.016  131.583  116.213   52.120   74.986   30.849   77.501   19.141 -2.515190 36.30431 
1 1 1  -24   14   28 f  181.470   19.630  687.583   99.516  624.247  204.617  707.206  113.894  167.695   35.622  195.244   16.505 -27.54903 39.25961 
1 1 1  -24   14   30 f   65.104   17.672   62.624   34.854   56.646  141.957   63.007   35.955   72.928   31.139   57.279   16.720 15.64923 35.34373 
1 1 1  -24   14   32 o  132.018   20.077  358.831   73.554  412.556  172.921  346.963   81.273  128.960   36.366  135.077   17.023 -6.116684 40.15322 
1 1 1  -24   15    1 o  166.846   21.542  556.485  121.841  688.971  169.856  416.057  174.873  191.408   25.107  142.283   35.012 49.12585 43.08380 
1 1 1  -24   15    3 o   44.217   13.892   5.9685   31.099 -108.7362  103.643   17.318   32.601   48.409   22.898   40.024   15.735 8.385094 27.78340 
1 1 1  -24   15    5 o  144.019   19.153  452.395   81.201  291.324  156.176  512.069   95.060  119.843   34.808  168.195   15.991 -48.35215 38.30523 
1 1 1  -24   15    7 o  118.501   19.461  312.194   76.563  161.141  150.767  364.684   88.876   95.423   34.634  141.578   17.761 -46.15426 38.92213 
1 1 1  -24   15    9 f  172.461   16.854  527.909   90.248  609.530  181.308  501.025  104.054  178.969   28.663  165.953   17.740 13.01561 33.70864 
1 1 1  -24   15   11 o  256.466   14.133  1164.61  116.240  1308.28  220.852  1109.56  136.708  265.205   23.561  247.728   15.613 17.47693 28.26506 
1 1 1  -24   15   13 o  265.538   15.541  1301.62  133.621  1311.13  243.024  1297.49  159.972  263.814   26.063  267.263   16.935 -3.449036 31.08217 
1 1 1  -24   15   15 o  140.307   16.175  317.185   71.238  483.222  147.729  266.877   81.317  159.924   26.135  120.689   19.063 39.23528 32.34905 
1 1 1  -24   15   17 f  197.348   22.754  726.438  158.710   0.0000   0.0000  726.438  158.710  ?   ?   197.348   22.754      ?      ? 
1 1 1  -24   15   19 o  194.806   14.235  649.822   88.037  826.426  174.305  589.343  102.003  209.651   23.523  179.961   16.037 29.68959 28.46943 
1 1 1  -24   15   21 o  372.170   15.165  2490.81  185.600  2874.55  338.813  2326.29  221.848  388.513   24.674  355.827   17.640 32.68655 30.33080 
1 1 1  -24   15   23 o  136.050   17.120  325.125   67.540  429.558  147.455  297.398   75.979  144.973   29.774  127.127   16.910 17.84587 34.24069 
1 1 1  -24   15   25 o  175.887   18.009  610.096   93.663  610.295  184.254  610.027  108.764  170.326   31.776  181.448   16.960 -11.12238 36.01824 
1 1 1  -24   15   27 o   98.175   19.194  147.151   49.880  302.625  143.982  125.947   53.172  116.250   33.323   80.100   19.058 36.14969 38.38769 
1 1 1  -24   15   29 o   71.261   17.903   98.153   46.768   33.126  141.255  106.159   49.563   69.412   30.345   73.110   19.005 -3.697678 35.80523 
1 1 1  -24   16    2 o  275.943   18.625  1452.25  181.297  1336.99  252.576  1574.75  260.387  264.090   27.059  287.796   25.599 -23.70547 37.24917 
1 1 1  -24   16    4 o  130.222   18.783  318.900   76.791  352.033  147.043  306.475   90.045  131.525   31.948  128.920   19.762 2.605148 37.56586 
1 1 1  -24   16    6 o   57.673   16.827   5.7995   28.174  114.067  118.543  -0.6821   29.005   82.588   30.590   32.757   14.033 49.83080 33.65495 
1 1 1  -24   16    8 o   54.931   16.143   29.098   42.202 -29.0152  109.817   39.167   45.712   58.478   26.100   51.384   19.003 7.094635 32.28529 
1 1 1  -24   16   10 o  293.284   15.760  1631.28  149.155  1522.17  266.835  1680.87  179.882  282.754   26.700  303.815   16.752 -21.06097 31.52011 
1 1 1  -24   16   12 o  213.792   21.112  1011.98  127.719  636.489  230.702  1177.92  153.365  173.487   38.617  254.098   17.077 -80.61131 42.22468 
1 1 1  -24   16   14 o  211.668   21.284  995.210  126.947  634.999  232.102  1148.96  151.638  172.547   38.978  250.789   17.107 -78.24162 42.56712 
1 1 1  -24   16   16 o  223.543   23.116  940.575  182.642   0.0000   0.0000  940.575  182.642  ?   ?   223.543   23.116      ?      ? 
1 1 1  -24   16   18 o  188.508   18.672  734.785  102.219  594.868  193.778  788.729  120.320  169.393   33.553  207.623   16.396 -38.22992 37.34462 
1 1 1  -24   16   20 o  114.915   19.813  227.019   71.210  375.945  146.605  181.035   81.465  134.341   31.434   95.489   24.128 38.85165 39.62654 
1 1 1  -24   16   22 o   65.118   17.529   56.020   40.546   92.155  115.133   50.904   43.321   76.154   29.677   54.083   18.664 22.07045 35.05770 
1 1 1  -24   16   24 f  130.565   17.962  319.706   82.888   0.0000   0.0000  319.706   82.888  ?   ?   130.565   17.962      ?      ? 
1 1 1  -24   16   26 o  157.410   16.804  467.547   79.076  557.945  160.442  438.542   90.881  161.976   29.094  152.845   16.823 9.130859 33.60801 
1 1 1  -24   16   28 o  160.982   17.473  483.524   82.285  636.023  175.460  440.528   93.166  169.792   30.351  152.171   17.322 17.62100 34.94669 
1 1 1  -24   17    1 o   99.605   18.094  210.513   62.867  138.285  122.072  236.584   73.340   86.215   31.183  112.995   18.364 -26.77966 36.18882 
1 1 1  -24   17    3 o  247.966   19.343  1197.76  168.833  1203.05  229.462  1191.51  249.301  249.669   26.003  246.264   28.642 3.404694 38.68501 
1 1 1  -24   17    5 o  254.367   14.292  1189.20  119.800  1248.72  213.319  1161.78  144.790  256.667   23.515  252.066   16.252 4.601227 28.58428 
1 1 1  -24   17    7 o  266.861   14.282  1251.08  127.724  1563.37  227.782  1107.86  154.256  288.293   22.355  245.429   17.783 42.86441 28.56474 
1 1 1  -24   17    9 o  116.633   18.878  275.328   70.233  243.877  137.011  286.537   81.798  108.668   32.870  124.597   18.574 -15.92911 37.75544 
1 1 1  -24   17   11 o  249.158   16.189  1134.72  142.563   0.0000   0.0000  1134.72  142.563  ?   ?   249.158   16.189      ?      ? 
1 1 1  -24   17   13 o   76.808   17.941  102.570   47.510  119.695  111.850   98.801   52.479   81.888   29.814   71.727   19.966 10.16132 35.88195 
1 1 1  -24   17   15 o  321.212   16.144  1891.29  183.285   0.0000   0.0000  1891.29  183.285  ?   ?   321.212   16.144      ?      ? 
1 1 1  -24   17   17 o  108.097   18.649  190.752   57.144  326.343  138.915  163.133   62.695  124.445   31.542   91.750   19.905 32.69481 37.29761 
1 1 1  -24   17   19 o  130.239   18.389  335.229   72.126  346.738  145.232  331.461   83.098  126.998   32.285  133.480   17.614 -6.482147 36.77719 
1 1 1  -24   17   21 o  276.228   15.032  1422.79  134.467  1572.60  249.116  1361.20  159.736  282.016   24.992  270.440   16.711 11.57672 30.06476 
1 1 1  -24   17   23 o  254.185   16.956  1281.86  137.111  1276.91  253.061  1283.92  163.130  247.461   28.933  260.909   17.690 -13.44815 33.91262 
1 1 1  -24   17   25 o  119.006   19.905  322.057   73.551  263.941  158.346  338.046   83.054  104.673   35.697  133.339   17.623 -28.66592 39.81058 
1 1 1  -24   18    2 o   52.444   15.564   22.080   39.652   19.596   93.301   22.628   43.805   59.441   25.309   45.448   18.121 13.99303 31.12734 
1 1 1  -24   18    4 o   97.684   18.313  205.373   62.169  147.096  118.990  227.254   72.912   86.813   30.858  108.555   19.730 -21.74162 36.62624 
1 1 1  -24   18    6 o  117.383   18.406  301.803   72.150  197.728  128.277  349.964   87.262   97.575   32.113  137.191   17.996 -39.61559 36.81155 
1 1 1  -24   18    8 o  199.084   20.656  808.195  139.650  910.982  192.769  694.671  202.587  216.354   25.209  181.813   32.729 34.54051 41.31213 
1 1 1  -24   18   10 o  185.516   16.153  638.040  104.072  827.154  163.701  509.758  134.825  208.225   22.243  162.808   23.430 45.41685 32.30690 
1 1 1  -24   18   12 o  112.689   18.546  235.249   65.595  314.874  129.673  207.867   76.042  122.443   30.161  102.936   21.590 19.50686 37.09248 
1 1 1  -24   18   14 o   44.335   13.336   8.0942   35.722 -179.7098  100.678   35.144   38.208   41.195   20.211   47.475   17.404 -6.280083 26.67163 
1 1 1  -24   18   16 o   62.108   16.124   22.127   32.150  155.715   99.665   6.6115   33.965   87.207   28.286   37.010   15.488 50.19619 32.24882 
1 1 1  -24   18   18 o  170.404   16.308  585.807   83.201  535.869  156.680  605.420   98.189  159.957   28.771  180.851   15.361 -20.89398 32.61523 
1 1 1  -24   18   20 o  274.894   16.817  1509.71  147.916  1470.99  268.769  1526.53  177.159  265.472   28.644  284.316   17.630 -18.84366 33.63488 
1 1 1  -24   18   22 o  168.485   18.093  594.706   91.106  555.979  171.850  609.846  107.448  157.393   31.983  179.577   16.929 -22.18445 36.18657 
1 1 1  -24   19    1 o   47.409   14.049   15.820   34.990   24.824   70.356   12.861   40.331   53.600   22.348   41.217   17.030 12.38345 28.09780 
1 1 1  -24   19    3 o   94.511   17.091  171.083   54.459  227.803   96.872  144.873   65.850  104.245   26.295   84.776   21.842 19.46956 34.18293 
1 1 1  -24   19    5 o   68.017   16.335   70.622   44.137  140.128   83.076   43.287   52.098   82.750   25.702   53.284   20.166 29.46584 32.66921 
1 1 1  -24   19    7 o  186.456   14.693  661.937   91.386  685.876  157.972  649.897  112.035  186.501   23.965  186.410   17.004 0.9019470E-01 29.38502 
1 1 1  -24   19    9 o  192.772   15.239  716.591   95.679  720.240  171.130  714.932  115.401  189.822   25.507  195.722   16.682 -5.900940 30.47796 
1 1 1  -24   19   11 o   65.043   16.196   65.393   40.096  111.079   85.164   52.381   45.449   75.489   26.162   54.597   19.101 20.89222 32.39270 
1 1 1  -24   19   13 o   83.301   17.964  137.359   53.626  153.067  102.324  131.411   62.965   85.745   28.699   80.856   21.616 4.889046 35.92872 
1 1 1  -24   19   15 o   76.767   16.898  100.627   47.568  178.251   89.724   70.280   56.101   91.960   26.288   61.574   21.240 30.38601 33.79588 
1 1 1  -24   19   17 o   31.883   11.669 -24.8137   14.779 -60.8785   89.149 -23.7946   14.986   46.799   21.849   16.967   8.2040 29.83125 23.33830 
1 1 1  -24   19   19 o   67.337   28.051   59.372  110.700   0.0000   0.0000   59.372  110.700  ?   ?    67.337   28.051      ?      ? 
1 1 1  -24   20    2 f   65.866   21.242   86.196   56.268   0.0000   0.0000   86.196   56.268  ?   ?    65.866   21.242      ?      ? 
1 1 1  -24   20    4 o   70.391   30.118   56.684  133.294   0.0000   0.0000   56.684  133.294  ?   ?    70.391   30.118      ?      ? 
1 1 1  -24   20    6 o  164.492   14.752  540.424   79.767  495.111  136.267  564.045   98.386  155.852   24.738  173.131   16.078 -17.27948 29.50349 
1 1 1  -24   20    8 o   57.107   15.453   53.111   42.274   20.383   81.442   65.181   49.459   55.323   23.603   58.890   19.951 -3.567020 30.90544 
1 1 1  -24   20   10 o   83.066   18.027  129.924   51.467  184.439  105.879  113.057   58.894   91.493   29.100   74.639   21.284 16.85442 36.05358 
1 1 1  -24   20   12 o   86.059   15.960  101.849   42.680  276.409   99.486   62.476   47.249  114.443   25.271   57.676   19.501 56.76748 31.91984 
1 1 1  -23    0    1 o   31.664   12.185   25.080   27.266   25.080   27.266   25.080   27.266   31.664   17.232   31.664   17.232 -0.000000 0.000000 
1 1 1  -23    0    3 o  226.181   11.505  923.207  128.520  923.207  128.520  923.207  128.520  226.181   16.270  226.181   16.270 -0.000000 0.000000 
1 1 1  -23    0    5 o   22.020   9.7483   4.7000   22.141   4.7000   22.141   4.7000   22.141   22.020   13.786   22.020   13.786 -0.000000 0.000000 
1 1 1  -23    0    7 o  250.728   11.517  1131.19  142.938  1131.19  142.938  1131.19  142.938  250.728   16.287  250.728   16.287 -0.000000 0.000000 
1 1 1  -23    0    9 o  175.792   11.296  562.430   97.374  562.430   97.374  562.430   97.374  175.792   15.975  175.792   15.975 -0.000000 0.000000 
1 1 1  -23    0   11 o  290.155   11.718  1511.12  168.681  1511.12  168.681  1511.12  168.681  290.155   16.572  290.155   16.572 -0.000000 0.000000 
1 1 1  -23    0   13 o  485.033   13.367  4209.25  322.956  4209.25  322.956  4209.25  322.956  485.033   18.904  485.033   18.904 -0.000000 0.000000 
1 1 1  -23    0   15 o  631.351   15.254  7143.40  480.093  7143.40  480.093  7143.40  480.093  631.351   21.572  631.351   21.572 -0.000000 0.000000 
1 1 1  -23    0   17 o   64.382   13.897   91.581   39.067   91.581   39.067   91.581   39.067   64.382   19.653   64.382   19.653 -0.000000 0.000000 
1 1 1  -23    0   19 o   31.086   11.966   24.172   26.306   24.172   26.306   24.172   26.306   31.086   16.923   31.086   16.923 -0.000000 0.000000 
1 1 1  -23    0   21 o  309.941   11.809  1724.28  181.739  1724.28  181.739  1724.28  181.739  309.941   16.701  309.941   16.701 -0.000000 0.000000 
1 1 1  -23    0   23 f   48.432   14.221   58.713   34.293   58.713   34.293   58.713   34.293   48.432   20.112   48.432   20.112 -0.000000 0.000000 
1 1 1  -23    0   25 o  274.861   16.916  1385.58  228.357  1385.58  228.357  1385.58  228.357  274.861   23.923  274.861   23.923 -0.000000 0.000000 
1 1 1  -23    0   27 o   23.537   10.153   8.5729   22.565   8.5729   22.565   8.5729   22.565   23.537   14.358   23.537   14.358 -0.000000 0.000000 
1 1 1  -23    0   29 o  191.868   11.027  668.445  104.148  668.445  104.148  668.445  104.148  191.868   15.595  191.868   15.595 -0.000000 0.000000 
1 1 1  -23    0   31 o   97.148   12.559  184.150   54.959  184.150   54.959  184.150   54.959   97.148   17.761   97.148   17.761 -0.000000 0.000000 
1 1 1  -23    0   33 o  505.029   13.597  4597.10  342.109  4597.10  342.109  4597.10  342.109  505.029   19.229  505.029   19.229 -0.000000 0.000000 
1 1 1  -23    0   35 o  227.271   11.711  939.512  131.418  939.512  131.418  939.512  131.418  227.271   16.562  227.271   16.562 -0.000000 0.000000 
1 1 1  -23    0   37 o  156.441   18.182  481.090  130.632  481.090  130.632  481.090  130.632  156.441   25.713  156.441   25.713 -0.000000 0.000000 
1 1 1  -23    0   39 o  208.271   17.454  833.980  174.978  833.980  174.978  833.980  174.978  208.271   24.683  208.271   24.683 -0.000000 0.000000 
1 1 1  -23    0   41 f  264.325   18.038  1353.88  233.225  1353.88  233.225  1353.88  233.225  264.325   25.510  264.325   25.510 -0.000000 0.000000 
1 1 1  -23    1    2 o  195.277   11.123  681.463   76.732  708.552  108.895  654.747  108.139  199.167   15.469  191.387   15.986 7.780502 22.24560 
1 1 1  -23    1    4 o   82.869   11.444  127.570   32.563   89.183   46.154  165.621   45.950   69.315   18.496   96.424   13.483 -27.10833 22.88842 
1 1 1  -23    1    6 o  234.388   11.189  981.424   92.695  987.611  131.184  975.253  130.997  235.132   15.785  233.644   15.863 1.488113 22.37868 
1 1 1  -23    1    8 o   84.670   11.701  131.044   34.284  115.268   48.617  146.649   48.354   78.690   17.886   90.650   15.092 -11.96029 23.40242 
1 1 1  -23    1   10 o  207.226   10.942  768.322   79.899  700.396  113.044  836.130  112.946  197.959   16.157  216.493   14.761 -18.53409 21.88417 
1 1 1  -23    1   12 o  250.203   11.332  1118.86  100.209  1123.39  141.797  1114.33  141.637  250.714   16.002  249.692   16.049 1.021500 22.66347 
1 1 1  -23    1   14 o  221.617   11.170  879.839   87.151  969.903  123.356  790.085  123.143  233.093   14.973  210.141   16.580 22.95247 22.34020 
1 1 1  -23    1   16 o  259.272   11.258  1202.43  103.103  1252.52  145.912  1152.49  145.707  264.727   15.595  253.816   16.242 10.91101 22.51653 
1 1 1  -23    1   18 o  187.598   11.100  629.398   73.580  645.785  104.132  613.059  103.982  190.064   15.501  185.132   15.891 4.932327 22.19951 
1 1 1  -23    1   20 o  295.871   11.750  1568.70  122.823  1620.46  173.821  1517.08  173.575  300.811   16.349  290.931   16.880 9.880157 23.49952 
1 1 1  -23    1   22 o  233.985   11.257  980.359   93.087  962.445  131.682  998.253  131.607  231.819   16.072  236.151   15.768 -4.331543 22.51477 
1 1 1  -23    1   24 o  427.336   26.150  3346.48  394.961  3346.48  394.961   0.0000   0.0000  427.336   26.150  ?   ?       ?      ? 
1 1 1  -23    1   26 o  107.110   11.413  205.918   43.153  218.305   61.153  193.632   60.902  110.365   15.677  103.854   16.591 6.510849 22.82659 
1 1 1  -23    1   28 o  235.128   11.320  993.191   94.038  961.350  133.100  1024.93  132.880  231.300   16.281  238.956   15.733 -7.656540 22.64095 
1 1 1  -23    1   30 o  434.796   12.842  3418.13  197.283  3515.49  279.019  3320.80  278.982  441.130   17.896  428.463   18.422 12.66702 25.68332 
1 1 1  -23    1   32 o  317.346   11.801  1820.10  132.192  1926.11  187.055  1714.33  186.840  326.782   16.195  307.909   17.168 18.87286 23.60168 
1 1 1  -23    1   34 o  348.377   15.336  2314.71  174.324  2468.19  214.209  2013.73  299.970  369.164   16.417  327.590   25.908 41.57437 30.67126 
1 1 1  -23    1   36 o  187.742   13.293  623.874   83.236  719.667  148.051  579.602  100.648  196.895   21.274  178.588   15.945 18.30705 26.58671 
1 1 1  -23    1   38 o  263.259   14.620  1300.75  127.156  1294.19  222.057  1303.94  155.102  259.994   24.165  266.524   16.465 -6.530151 29.24089 
1 1 1  -23    1   40 o  176.236   17.427  608.694  108.048  660.767  162.641  567.557  144.558  182.502   25.214  169.971   24.063 12.53114 34.85363 
1 1 1  -23    1   42 o  112.380   31.017  287.953  127.231  287.953  127.231   0.0000   0.0000  112.380   31.017  ?   ?       ?      ? 
1 1 1  -23    2    1 o   45.434   10.575   32.161   21.011   53.476   29.897   11.361   29.533   53.966   15.087   36.903   14.822 17.06288 21.14974 
1 1 1  -23    2    3 o  134.962   11.016  325.835   52.454  304.552   74.362  346.912   74.002  130.518   16.120  139.406   15.019 -8.887360 22.03228 
1 1 1  -23    2    5 o   66.983   12.256   83.057   29.811  106.381   42.391   60.236   41.932   75.723   16.320   58.244   18.288 17.47868 24.51121 
1 1 1  -23    2    7 o  239.780   11.193  1027.75   94.786  982.381  134.175  1072.94  133.919  234.434   16.193  245.125   15.457 -10.69040 22.38631 
1 1 1  -23    2    9 o  344.407   11.840  2121.91  144.123  2126.85  203.946  2116.98  203.696  344.810   16.735  344.004   16.753 0.8056030 23.67944 
1 1 1  -23    2   11 o   65.712   12.087   80.120   28.335   82.014   40.459   78.298   39.695   66.452   17.121   64.973   17.065 1.478516 24.17317 
1 1 1  -23    2   13 o   75.954   11.930  107.239   31.195  106.844   44.321  107.626   43.913   75.803   16.966   76.105   16.777 -0.3016434 23.86033 
1 1 1  -23    2   15 o  203.281   11.086  738.599   79.638  754.279  112.803  723.017  112.449  205.453   15.534  201.109   15.820 4.343948 22.17160 
1 1 1  -23    2   17 o  399.150   12.645  2859.38  178.303  2967.10  252.277  2751.85  252.042  406.776   17.547  391.524   18.214 15.25250 25.29089 
1 1 1  -23    2   19 o  159.277   14.397  472.506   74.957  501.325   91.920  415.305  129.502  167.434   15.533  151.121   24.245 16.31236 28.79422 
1 1 1  -23    2   21 o  138.400   10.963  342.674   53.626  343.044   76.076  342.308   75.604  138.470   15.544  138.331   15.463 0.1398315 21.92584 
1 1 1  -23    2   23 f  551.936   17.288  5438.14  320.796  5935.97  555.268  5188.73  393.022  568.120   27.653  535.752   20.756 32.36798 34.57571 
1 1 1  -23    2   25 o   66.892   13.034   83.593   31.080   87.268   38.664   76.882   52.251   68.424   16.232   65.360   20.397 3.063980 26.06787 
1 1 1  -23    2   27 f  451.030   13.239  3672.58  211.042  3682.05  298.701  3663.14  298.217  451.615   18.713  450.445   18.731 1.170441 26.47730 
1 1 1  -23    2   29 f  217.969   11.295  853.928   87.012  861.289  123.147  846.589  122.959  218.920   15.915  217.017   16.030 1.902466 22.58932 
1 1 1  -23    2   31 o  285.981   11.671  1475.69  117.790  1569.57  166.834  1382.39  166.327  295.232   15.988  276.731   17.005 18.50092 23.34108 
1 1 1  -23    2   33 o  368.778   14.553  2415.82  180.365  2736.30  314.695  2259.04  220.103  384.722   23.143  352.833   17.650 31.88815 29.10525 
1 1 1  -23    2   35 o  138.400   13.031  337.324   60.017  389.098  107.255  313.722   72.417  145.180   20.902  131.620   15.567 13.56078 26.06189 
1 1 1  -23    2   37 o  374.067   14.608  2528.48  183.105  2860.00  321.005  2368.59  222.930  389.018   23.347  359.116   17.564 29.90228 29.21538 
1 1 1  -23    2   39 o  129.339   16.717  315.492   73.720  407.203  117.867  256.564   94.480  145.475   22.924  113.202   24.337 32.27310 33.43352 
1 1 1  -23    2   41 o  231.130   16.463  1046.48  133.251  1260.19  199.647  874.804  178.938  253.185   22.310  209.076   24.215 44.10930 32.92568 
1 1 1  -23    3    2 o  344.728   12.068  2128.34  147.027  2102.19  208.061  2154.41  207.794  342.582   17.183  346.874   16.949 -4.291840 24.13561 
1 1 1  -23    3    4 o   71.687   14.262   93.557   35.420   94.499   65.569   93.169   42.089   72.620   22.880   70.754   17.035 1.865868 28.52485 
1 1 1  -23    3    6 o   65.510   11.625   79.018   27.455  105.003   39.643   55.067   38.059   75.345   15.406   55.675   17.414 19.67001 23.25051 
1 1 1  -23    3    8 o  234.551   11.243  983.135   93.202  975.211  131.791  991.062  131.824  233.595   15.963  235.507   15.837 -1.911270 22.48578 
1 1 1  -23    3   10 o  220.495   11.330  869.075   88.284  890.234  125.078  848.069  124.627  223.196   15.855  217.795   16.190 5.401321 22.66059 
1 1 1  -23    3   12 o  269.311   11.448  1297.29  108.921  1341.29  154.040  1253.29  154.034  273.933   15.910  264.688   16.465 9.245331 22.89592 
1 1 1  -23    3   14 o  683.522   16.122  8455.36  389.440  8601.04  550.824  8309.75  550.680  689.549   22.601  677.495   22.997 12.05341 32.24394 
1 1 1  -23    3   16 o  401.422   15.044  2841.25  202.878  3127.03  352.604  2699.83  248.050  414.989   24.040  387.855   18.095 27.13370 30.08863 
1 1 1  -23    3   18 o  195.752   11.111  686.241   76.717  736.658  108.539  635.908  108.450  203.032   15.125  188.472   16.280 14.55997 22.22208 
1 1 1  -23    3   20 o  106.977   11.488  208.479   42.160  235.830   59.678  181.227   59.570  114.890   14.696   99.064   17.661 15.82657 22.97598 
1 1 1  -23    3   22 o  382.901   15.102  2607.92  194.183  2799.01  335.903  2512.01  237.978  391.958   24.247  373.843   18.011 18.11508 30.20410 
1 1 1  -23    3   24 o   45.666   10.682   34.831   20.571   46.352   28.617   22.512   29.590   50.536   14.963   40.795   15.249 9.740776 21.36397 
1 1 1  -23    3   26 o  378.705   17.826  2630.73  238.590  2654.97  338.610  2606.84  336.238  380.452   25.181  376.957   25.237 3.494751 35.65109 
1 1 1  -23    3   28 o  166.330   10.979  496.681   64.386  542.301   91.934  452.764   90.201  173.920   14.956  158.739   16.077 15.18130 21.95778 
1 1 1  -23    3   30 o   97.602   14.680  175.925   46.337  178.584   84.607  174.785   55.382   96.636   24.683   98.567   15.897 -1.930885 29.35901 
1 1 1  -23    3   32 o   89.453   17.145  149.340   52.233   0.0000   0.0000  149.340   52.233  ?   ?    89.453   17.145      ?      ? 
1 1 1  -23    3   34 f  132.814   13.456  314.031   58.952  346.445  106.184  299.589   70.879  136.907   21.944  128.721   15.579 8.185837 26.91178 
1 1 1  -23    3   36 o  237.361   16.029  1054.88  133.923  1178.83  192.068  937.600  186.831  251.544   21.603  223.179   23.685 28.36531 32.05763 
1 1 1  -23    3   38 o  327.246   17.771  2071.48  205.525  2102.60  293.097  2041.38  288.277  329.635   25.157  324.856   25.107 4.779083 35.54213 
1 1 1  -23    3   40 o  156.064   18.069  495.066   96.219  440.580  140.076  543.743  132.398  144.999   28.348  167.130   22.413 -22.13104 36.13853 
1 1 1  -23    3   42 o   37.310   10.482  -5.5458   17.745   50.223   41.640 -17.9206   19.615   52.689   18.292   21.931   10.242 30.75849 20.96376 
1 1 1  -23    4    1 o  178.191   11.132  567.724   70.061  595.974   99.678  540.142   98.494  182.611   15.444  173.771   16.037 8.840012 22.26392 
1 1 1  -23    4    3 o  180.235   13.435  582.891   80.827  581.300   99.188  586.034  139.448  180.357   15.560  180.112   21.905 0.2450867 26.86912 
1 1 1  -23    4    5 o  182.621   11.193  596.753   72.152  564.483  102.386  628.588  101.693  177.648   16.307  187.594   15.337 -9.945816 22.38607 
1 1 1  -23    4    7 o  144.342   10.960  373.288   55.711  339.185   79.188  406.708   78.392  137.717   16.269  150.968   14.691 -13.25124 21.92055 
1 1 1  -23    4    9 o  367.228   12.384  2416.66  160.695  2484.02  227.494  2349.58  227.022  372.402   17.284  362.054   17.741 10.34753 24.76822 
1 1 1  -23    4   11 o  262.398   11.276  1231.16  104.558  1205.80  148.149  1256.34  147.586  259.668   16.142  265.129   15.750 -5.460907 22.55249 
1 1 1  -23    4   13 o  470.869   16.628  3996.25  261.390  3949.41  320.241  4089.76  452.444  468.676   19.332  473.063   27.060 -4.387329 33.25619 
1 1 1  -23    4   15 o  306.615   11.577  1683.71  125.307  1783.08  177.525  1585.04  176.898  315.746   15.908  297.485   16.824 18.26059 23.15396 
1 1 1  -23    4   17 o  320.487   12.130  1844.29  137.008  2005.94  194.031  1683.55  193.486  334.711   16.401  306.263   17.875 28.44791 24.25914 
1 1 1  -23    4   19 o  169.956   11.201  517.284   67.204  546.562   95.152  488.142   94.931  174.816   15.400  165.096   16.269 9.720444 22.40140 
1 1 1  -23    4   21 o  588.744   14.922  6269.79  310.399  6075.58  438.962  6464.03  438.979  579.411   21.435  598.078   20.767 -18.66718 29.84468 
1 1 1  -23    4   23 o  174.540   13.418  531.834   78.649  497.062   95.832  603.576  137.652  166.515   16.283  182.564   21.333 -16.04910 26.83701 
1 1 1  -23    4   25 o  283.311   14.011  1428.08  132.575  1520.82  231.510  1382.83  161.717  289.076   22.659  277.547   16.485 11.52795 28.02130 
1 1 1  -23    4   27 o  260.484   13.700  1200.38  119.347  1312.36  209.042  1146.24  145.367  268.406   22.035  252.562   16.285 15.84375 27.39974 
1 1 1  -23    4   29 o  157.436   14.369  461.598   73.180  421.358  130.074  480.233   88.518  151.346   24.316  163.525   15.315 -12.17882 28.73755 
1 1 1  -23    4   31 o  274.496   13.782  1331.64  126.847  1495.60  222.144  1252.31  154.514  285.591   22.007  263.400   16.597 22.19171 27.56430 
1 1 1  -23    4   33 o  240.829   16.599  1076.54  141.202  1056.11  201.965  1096.07  197.491  238.347   23.974  243.310   22.965 -4.962936 33.19878 
1 1 1  -23    4   35 o  130.692   25.972  333.068  115.743  333.068  115.743   0.0000   0.0000  130.692   25.972  ?   ?       ?      ? 
1 1 1  -23    4   37 o  473.115   19.764  4379.59  329.768  4714.22  468.779  4051.77  463.984  492.664   26.921  453.566   28.943 39.09866 39.52789 
1 1 1  -23    4   39 o  257.114   16.366  1285.36  146.641  1541.24  210.350  1043.43  204.535  284.161   20.944  230.068   25.153 54.09360 32.73110 
1 1 1  -23    4   41 o  355.659   15.596  2461.56  184.346  2602.72  321.715  2392.56  224.937  356.857   25.507  354.460   17.954 2.396790 31.19237 
1 1 1  -23    5    2 o  104.634   11.251  196.085   41.511  191.463   60.381  200.228   57.161  103.414   16.520  105.854   15.278 -2.439476 22.50167 
1 1 1  -23    5    4 o   74.152   11.865  103.373   31.844   59.034   46.115  143.784   44.025   58.509   19.254   89.795   13.872 -31.28573 23.73071 
1 1 1  -23    5    6 o  334.018   11.873  1997.88  140.139  1957.08  198.545  2038.38  197.828  330.566   16.993  337.469   16.586 -6.902557 23.74579 
1 1 1  -23    5    8 o  120.093   10.770  257.665   45.595  282.579   65.179  233.790   63.806  125.827   14.656  114.359   15.786 11.46709 21.54053 
1 1 1  -23    5   10 f  107.001   10.861  204.465   41.064  210.169   58.774  199.024   57.397  108.460   15.332  105.541   15.387 2.919128 21.72138 
1 1 1  -23    5   12 o  227.914   16.310  942.294  131.195  897.623  187.170  985.441  183.947  222.414   23.810  233.415   22.297 -11.00090 32.61983 
1 1 1  -23    5   14 o  392.272   15.951  2826.94  206.060  2666.92  358.363  2905.97  251.861  382.057   26.538  402.487   17.705 -20.43069 31.90208 
1 1 1  -23    5   16 o  133.102   11.309  317.679   53.079  296.291   75.627  338.443   74.516  128.610   16.637  137.594   15.322 -8.984787 22.61812 
1 1 1  -23    5   18 o  355.636   14.973  2275.22  177.877  2319.23  307.294  2253.04  218.138  356.931   24.358  354.341   17.418 2.590393 29.94514 
1 1 1  -23    5   20 o  352.238   12.036  2226.43  149.765  2309.25  212.009  2143.92  211.592  358.873   16.714  345.603   17.322 13.26938 24.07136 
1 1 1  -23    5   22 o  444.615   26.641  3627.69  418.650   0.0000   0.0000  3627.69  418.650  ?   ?   444.615   26.641      ?      ? 
1 1 1  -23    5   24 o  442.402   16.027  3570.91  235.111  3527.46  408.506  3592.44  287.501  438.147   26.379  446.656   18.212 -8.508881 32.05481 
1 1 1  -23    5   26 o  396.869   18.133  2897.86  254.345  2931.51  361.101  2864.72  358.311  399.186   25.594  394.551   25.694 4.635315 36.26618 
1 1 1  -23    5   28 o  238.167   16.917  1046.35  141.526  930.720  202.125  1157.56  198.229  224.604   25.461  251.730   22.280 -27.12579 33.83308 
1 1 1  -23    5   30 o  104.917   18.125  216.363   67.248  167.016  101.273  255.285   89.940   93.693   28.242  116.140   22.724 -22.44625 36.24924 
1 1 1  -23    5   32 o  192.220   15.662  680.770  105.249  814.889  152.249  558.012  145.658  210.948   20.420  173.493   23.754 37.45465 31.32457 
1 1 1  -23    5   34 o  271.736   16.833  1380.44  161.649  1397.51  231.005  1364.06  226.280  273.314   23.913  270.157   23.698 3.156982 33.66653 
1 1 1  -23    5   36 o  190.745   22.625  684.722  152.530   0.0000   0.0000  684.722  152.530  ?   ?   190.745   22.625      ?      ? 
1 1 1  -23    5   38 o  347.330   15.209  2257.95  175.755  2412.97  308.027  2183.12  214.011  351.982   24.760  342.678   17.670 9.303528 30.41825 
1 1 1  -23    5   40 o  400.926   16.933  3205.10  223.064  3169.85  389.551  3222.29  272.089  390.489   28.225  411.363   18.714 -20.87375 33.86542 
1 1 1  -23    6    1 o  182.555   10.706  597.565   68.819  544.166   98.066  649.380   96.600  174.387   15.911  190.724   14.330 -16.33746 21.41256 
1 1 1  -23    6    3 o  259.920   14.303  1256.20  121.777  1107.94  209.815  1331.52  149.542  246.940   24.039  272.900   15.504 -25.95973 28.60534 
1 1 1  -23    6    5 o  183.083   11.068  599.188   71.579  628.133  102.077  571.186  100.400  187.465   15.406  178.701   15.896 8.764786 22.13649 
1 1 1  -23    6    7 o  143.380   15.084  382.351   67.632  361.312  122.188  391.643   81.207  138.742   25.869  148.019   15.522 -9.277802 30.16855 
1 1 1  -23    6    9 o  141.881   11.251  360.498   56.333  349.719   81.171  370.514   78.243  139.776   16.430  143.986   15.375 -4.209686 22.50196 
1 1 1  -23    6   11 o  356.245   12.038  2274.02  151.576  2286.34  214.825  2261.80  213.901  357.208   17.015  355.281   17.034 1.927582 24.07668 
1 1 1  -23    6   13 o  286.564   11.592  1470.55  117.341  1532.94  166.431  1408.87  165.465  292.678   16.089  280.450   16.693 12.22818 23.18406 
1 1 1  -23    6   15 o  215.129   10.991  828.189   83.506  793.303  118.287  862.849  117.905  210.552   15.895  219.707   15.183 -9.154938 21.98148 
1 1 1  -23    6   17 o   87.217   15.407  145.960   44.114  127.096   84.343  153.064   51.758   83.390   25.897   91.044   16.700 -7.654587 30.81454 
1 1 1  -23    6   19 o  102.798   14.681  188.158   47.773  210.729   90.386  179.408   56.277  105.501   24.679  100.094   15.907 5.406952 29.36136 
1 1 1  -23    6   21 o   33.710   13.611   8.8569   25.048   0.0000   0.0000   8.8569   25.048  ?   ?    33.710   13.611      ?      ? 
1 1 1  -23    6   23 f  332.986   14.880  2002.90  164.429  2026.22  287.146  1991.52  200.569  333.016   24.396  332.956   17.043 0.6021118E-01 29.75967 
1 1 1  -23    6   25 o  470.265   19.042  4086.18  316.025  4357.06  448.901  3820.02  444.977  486.327   26.116  454.203   27.718 32.12473 38.08334 
1 1 1  -23    6   27 o  192.430   15.877  674.887  107.803  731.458  156.387  623.667  148.808  200.193   22.102  184.667   22.799 15.52586 31.75362 
1 1 1  -23    6   29 o  111.598   18.029  240.911   69.327  220.309  104.088  257.338   92.943  106.738   27.439  116.458   23.392 -9.719940 36.05712 
1 1 1  -23    6   31 o  133.227   15.844  328.491   69.640  520.196  105.890  182.377   92.445  169.342   17.692   97.112   26.289 72.23040 31.68802 
1 1 1  -23    6   33 o  260.116   16.088  1254.27  146.702  1474.66  212.903  1055.04  202.429  282.608   21.315  237.625   24.102 44.98303 32.17506 
1 1 1  -23    6   35 o  141.818   16.336  403.479   70.360  335.199  128.260  432.872   84.153  129.318   28.800  154.318   15.429 -25.00041 32.67276 
1 1 1  -23    6   37 o  280.775   14.066  1431.52  130.816  1616.78  234.482  1347.80  157.625  291.008   22.797  270.543   16.484 20.46509 28.13275 
1 1 1  -23    6   39 o   94.916   16.054  180.732   48.796  172.100   97.544  183.613   56.355   90.498   27.808   99.333   16.051 -8.835152 32.10822 
1 1 1  -23    6   41 o  116.852   18.271  282.343   72.489  349.971  115.428  238.301   93.149  127.927   26.404  105.777   25.263 22.14915 36.54287 
1 1 1  -23    7    2 o  157.689   11.371  442.129   63.149  493.719   93.649  399.111   85.517  166.083   15.954  149.295   16.206 16.78835 22.74133 
1 1 1  -23    7    4 o  374.751   12.074  2517.38  159.902  2567.88  227.689  2468.23  224.613  378.476   17.021  371.027   17.128 7.449677 24.14715 
1 1 1  -23    7    6 o   59.535   12.732   63.054   29.269   77.546   43.004   50.547   39.950   64.788   18.088   54.282   17.924 10.50585 25.46449 
1 1 1  -23    7    8 o  211.564   11.189  802.541   83.469  752.746  119.405  850.125  116.726  205.023   16.478  218.105   15.142 -13.08148 22.37847 
1 1 1  -23    7   10 o  330.088   15.542  2014.70  167.527  1851.80  293.703  2093.26  203.959  318.405   26.098  341.772   16.884 -23.36707 31.08373 
1 1 1  -23    7   12 o  335.421   15.570  2075.70  170.788  1926.67  299.479  2147.53  207.912  324.725   26.093  346.116   16.996 -21.39154 31.14023 
1 1 1  -23    7   14 o  363.960   15.438  2411.26  185.392  2357.38  324.450  2437.37  225.904  359.340   25.546  368.580   17.341 -9.240601 30.87562 
1 1 1  -23    7   16 o  166.923   14.984  524.982   79.735  451.655  142.876  558.149   96.091  157.206   25.714  176.641   15.391 -19.43449 29.96824 
1 1 1  -23    7   18 o  329.843   14.658  1945.88  160.824  2027.53  281.685  1906.38  195.890  333.725   23.881  325.961   17.003 7.763306 29.31570 
1 1 1  -23    7   20 o  117.406   15.627  246.837   64.848   0.0000   0.0000  246.837   64.848  ?   ?   117.406   15.627      ?      ? 
1 1 1  -23    7   22 o  215.122   15.951  840.632  121.047  915.351  174.330  771.070  168.207  224.498   21.970  205.747   23.131 18.75183 31.90199 
1 1 1  -23    7   24 o  308.773   17.003  1744.99  185.530  1784.04  265.002  1707.44  259.832  312.173   24.018  305.373   24.074 6.799957 34.00585 
1 1 1  -23    7   26 o  245.803   16.399  1104.24  142.345  1164.52  206.085  1049.25  196.845  252.235   23.117  239.372   23.267 12.86304 32.79794 
1 1 1  -23    7   28 f  328.078   17.170  1983.20  198.989  2078.16  284.672  1892.48  278.262  335.923   23.976  320.233   24.585 15.69055 34.34077 
1 1 1  -23    7   30 o  163.125   16.381  489.747   94.243  514.104  138.932  468.988  128.264  166.746   23.574  159.503   22.752 7.242645 32.76221 
1 1 1  -23    7   32 o  431.429   15.415  3328.80  222.914  3794.98  391.395  3104.98  271.197  450.502   24.581  412.356   18.608 38.14536 30.82965 
1 1 1  -23    7   34 o  116.959   17.181  294.788   62.675  190.535  118.441  335.334   73.864   98.011   30.730  135.907   15.377 -37.89545 34.36236 
1 1 1  -23    7   36 o  226.461   16.133  940.830  129.133   0.0000   0.0000  940.830  129.133  ?   ?   226.461   16.133      ?      ? 
1 1 1  -23    7   38 o  191.248   15.528  708.763   93.964  699.104  175.194  712.664  111.331  186.531   26.573  195.965   16.074 -9.433960 31.05663 
1 1 1  -23    7   40 o  187.030   19.661  810.172  104.178  565.086  191.839  912.675  124.065  153.713   35.952  220.348   15.930 -66.63464 39.32294 
1 1 1  -23    8    1 o  161.658   11.166  467.655   63.563  470.173   94.135  465.544   86.175  161.970   16.444  161.346   15.111 0.6244202 22.33257 
1 1 1  -23    8    3 o  480.677   12.602  4155.29  213.735  3902.14  303.314  4404.96  301.229  465.851   18.422  495.502   17.200 -29.65088 25.20311 
1 1 1  -23    8    5 o  321.678   11.497  1853.57  130.693  1837.44  186.239  1869.21  183.448  320.249   16.454  323.108   16.064 -2.859833 22.99490 
1 1 1  -23    8    7 o  181.584   17.954  657.292   93.960  515.295  180.711  709.903  109.998  163.971   32.331  199.197   15.624 -35.22507 35.90768 
1 1 1  -23    8    9 o  341.974   14.368  2040.10  163.585  2319.05  291.533  1911.91  197.630  357.452   23.075  326.497   17.126 30.95541 28.73622 
1 1 1  -23    8   11 o  314.717   14.418  1743.58  150.201  1913.63  268.770  1666.36  181.124  324.553   23.430  304.882   16.808 19.67081 28.83565 
1 1 1  -23    8   13 o  106.607   16.375  198.061   51.556  233.390  112.521  188.674   58.002  110.562   28.584  102.651   15.987 7.910622 32.75101 
1 1 1  -23    8   15 o  171.927   14.092  519.623   78.414  567.627  146.048  500.180   92.947  176.701   23.385  167.153   15.733 9.547791 28.18461 
1 1 1  -23    8   17 o  114.919   14.425  227.928   52.302  280.177   99.493  207.976   61.482  122.104   23.909  107.733   16.147 14.37180 28.85075 
1 1 1  -23    8   19 o  234.838   16.446  1003.19  136.449  1021.01  196.332  986.543  189.771  236.795   23.458  232.881   23.056 3.913879 32.89150 
1 1 1  -23    8   21 o  144.989   27.056  398.394  133.550  398.394  133.550   0.0000   0.0000  144.989   27.056  ?   ?       ?      ? 
1 1 1  -23    8   23 o   66.818   15.706   69.926   52.403 -62.6711   92.970  131.670   63.441   50.082   23.003   83.554   21.391 -33.47263 31.41164 
1 1 1  -23    8   25 o  247.739   16.672  1122.80  145.818  1174.92  212.525  1076.43  200.439  253.092   23.758  242.386   23.397 10.70593 33.34451 
1 1 1  -23    8   27 o  154.547   14.103  404.054   69.324  506.226  136.657  368.651   80.443  165.982   23.294  143.112   15.904 22.87047 28.20547 
1 1 1  -23    8   29 o  209.264   13.933  772.273   95.466  870.429  175.170  730.801  113.862  217.299   22.808  201.229   16.009 16.06969 27.86541 
1 1 1  -23    8   31 o  267.670   14.874  1311.36  129.573  1339.83  234.607  1298.87  155.429  267.642   24.801  267.697   16.427 -0.5453491E-01 29.74787 
1 1 1  -23    8   33 f  152.108   15.776  420.370   84.812   0.0000   0.0000  420.370   84.812  ?   ?   152.108   15.776      ?      ? 
1 1 1  -23    8   35 o  188.358   13.812  615.989   84.054  776.072  161.146  556.157   98.518  202.436   22.522  174.281   15.994 28.15462 27.62326 
1 1 1  -23    8   37 o  136.599   14.389  315.494   60.905  444.562  127.400  277.258   69.342  150.824   23.899  122.374   16.032 28.44940 28.77815 
1 1 1  -23    8   39 o  313.018   15.787  1917.71  161.383  1990.02  288.947  1884.93  194.557  310.769   26.306  315.267   17.460 -4.497803 31.57341 
1 1 1  -23    9    2 o  105.764   18.440  230.654   59.135  145.570  139.480  249.299   65.294   93.524   33.391  118.003   15.655 -24.47865 36.87915 
1 1 1  -23    9    4 o  373.822   14.680  2469.30  180.944  2683.65  325.475  2373.42  217.684  383.910   23.987  363.734   16.933 20.17548 29.36097 
1 1 1  -23    9    6 o  298.439   16.444  1702.69  155.572  1412.53  277.884  1835.15  187.754  276.932   28.390  319.946   16.603 -43.01385 32.88881 
1 1 1  -23    9    8 o  154.317   17.752  444.391   79.321  435.966  162.661  447.020   90.856  150.679   31.554  157.954   16.274 -7.274811 35.50385 
1 1 1  -23    9   10 o  146.377   14.264  319.535   63.777  534.793  140.155  263.322   71.622  171.573   23.112  121.182   16.722 50.39098 28.52719 
1 1 1  -23    9   12 o  572.460   18.568  6056.19  350.221  5842.32  611.355  6160.67  427.280  561.063   30.829  583.857   20.705 -22.79395 37.13694 
1 1 1  -23    9   14 o  111.321   20.944  246.218   84.195  179.097  139.022  285.096  105.805   99.779   33.451  122.863   25.210 -23.08363 41.88726 
1 1 1  -23    9   16 o  246.916   17.081  1103.99  148.543  1220.04  221.101  1008.52  200.544  258.651   24.186  235.181   24.126 23.47009 34.16161 
1 1 1  -23    9   18 o  138.796   20.613  377.344   96.387  308.536  157.307  418.705  121.964  125.862   34.386  151.730   22.743 -25.86805 41.22663 
1 1 1  -23    9   22 o   77.523   16.153   51.132   40.061  231.492  103.149   19.094   43.473  109.871   26.801   45.175   18.040 64.69539 32.30684 
1 1 1  -23    9   24 o  183.790   15.660  606.905  101.725   0.0000   0.0000  606.905  101.725  ?   ?   183.790   15.660      ?      ? 
1 1 1  -23    9   26 o  296.482   15.098  1584.91  145.382  1659.64  266.064  1553.10  173.588  299.536   25.131  293.428   16.738 6.107971 30.19504 
1 1 1  -23    9   28 o  233.933   23.213  1010.51  191.930   0.0000   0.0000  1010.51  191.930  ?   ?   233.933   23.213      ?      ? 
1 1 1  -23    9   30 o  163.355   17.684  513.185   82.098  491.092  170.114  519.893   93.736  157.148   31.721  169.562   15.641 -12.41371 35.36704 
1 1 1  -23    9   32 o  108.193   20.489  234.454   76.122  223.726  138.532  239.095   91.109  105.447   33.260  110.939   23.938 -5.491455 40.97890 
1 1 1  -23    9   34 o  409.391   16.537  3155.67  221.967  3268.40  396.532  3104.22  267.867  409.273   27.412  409.508   18.507 -0.2350159 33.07484 
1 1 1  -23    9   36 o  106.441   17.046  210.609   53.712  252.480  118.571  199.798   60.248  109.041   29.880  103.840   16.416 5.200974 34.09228 
1 1 1  -23    9   38 o  403.078   16.711  3200.70  221.517  3358.94  392.656  3126.82  268.287  401.743   27.653  404.412   18.770 -2.668671 33.42138 
1 1 1  -23   10    3 o  440.720   26.535  3565.04  413.336   0.0000   0.0000  3565.04  413.336  ?   ?   440.720   26.535      ?      ? 
1 1 1  -23   10    5 o  146.380   16.064  383.967   83.110   0.0000   0.0000  383.967   83.110  ?   ?   146.380   16.064      ?      ? 
1 1 1  -23   10    7 o  142.223   16.148  362.499   81.171   0.0000   0.0000  362.499   81.171  ?   ?   142.223   16.148      ?      ? 
1 1 1  -23   10    9 o  157.718   20.686  487.419  109.090  367.761  167.037  576.415  144.054  137.338   34.466  178.098   22.885 -40.75989 41.37166 
1 1 1  -23   10   11 o  724.305   24.352  9868.91  623.280 10138.96  884.597  9602.67  878.339  734.614   34.070  713.997   34.805 20.61725 48.70464 
1 1 1  -23   10   13 o  208.055   17.654  780.201  128.700  876.448  198.589  710.506  168.990  218.762   25.684  197.348   24.227 21.41402 35.30775 
1 1 1  -23   10   15 f  226.699   16.889  915.533  132.584  1217.72  203.509  692.686  174.762  258.923   22.238  194.476   25.425 64.44672 33.77803 
1 1 1  -23   10   17 o  458.756   18.916  3872.53  305.886  4269.22  440.305  3502.48  425.264  482.063   25.842  435.449   27.631 46.61438 37.83260 
1 1 1  -23   10   19 o  268.132   16.591  1292.28  157.229   0.0000   0.0000  1292.28  157.229  ?   ?   268.132   16.591      ?      ? 
1 1 1  -23   10   21 o  147.608   16.805  385.023   72.021  444.604  152.770  367.997   81.665  152.126   29.477  143.090   16.148 9.036118 33.61045 
1 1 1  -23   10   23 o   80.027   18.215   97.897   48.088  155.729  113.147   85.148   53.124   92.033   30.153   68.022   20.444 24.01100 36.43035 
1 1 1  -23   10   25 o  132.680   19.701  383.454   76.566  242.755  161.628  424.164   86.940  111.915   35.993  153.445   16.030 -41.53043 39.40102 
1 1 1  -23   10   27 o  173.917   14.828  519.669   81.275  633.976  161.705  481.033   94.012  184.673   24.774  163.161   16.302 21.51189 29.65680 
1 1 1  -23   10   29 o  169.327   19.092  549.720  109.793  537.701  169.197  558.462  144.300  165.445   30.041  173.208   23.571 -7.763718 38.18467 
1 1 1  -23   10   31 o   55.903   16.654   19.992   28.816   57.642  120.277   17.699   29.681   72.971   29.695   38.835   15.086 34.13563 33.30758 
1 1 1  -23   10   33 o  440.224   15.276  3474.81  223.936  4172.69  401.963  3160.73  269.659  467.160   24.344  413.289   18.460 53.87109 30.55227 
1 1 1  -23   10   35 o  289.573   15.523  1566.13  144.876  1716.91  270.003  1505.16  171.683  294.582   25.932  284.564   17.070 10.01816 31.04613 
1 1 1  -23   10   37 o  198.866   17.037  798.075  101.078  768.855  202.268  807.800  116.694  189.830   30.147  207.903   15.881 -18.07269 34.07389 
1 1 1  -23   11    2 o  181.588   22.440  600.224  144.023   0.0000   0.0000  600.224  144.023  ?   ?   181.588   22.440      ?      ? 
1 1 1  -23   11   10 o  270.989   24.127  1340.64  231.088   0.0000   0.0000  1340.64  231.088  ?   ?   270.989   24.127      ?      ? 
1 1 1  -23   11   12 o  330.697   24.821  2001.76  290.119   0.0000   0.0000  2001.76  290.119  ?   ?   330.697   24.821      ?      ? 
1 1 1  -23   11   14 o  247.829   23.564  1121.70  206.405   0.0000   0.0000  1121.70  206.405  ?   ?   247.829   23.564      ?      ? 
1 1 1  -23   11   16 o   57.643   19.114   57.331   45.415   0.0000   0.0000   57.331   45.415  ?   ?    57.643   19.114      ?      ? 
1 1 1  -23   11   18 o  433.494   18.783  3396.23  287.785   0.0000   0.0000  3396.23  287.785  ?   ?   433.494   18.783      ?      ? 
1 1 1  -23   11   20 o  167.583   15.919  441.179   76.637  647.496  181.197  396.231   84.574  186.724   27.456  148.441   16.120 38.28252 31.83801 
1 1 1  -23   11   22 o  256.210   16.770  1240.26  131.945  1134.54  254.380  1279.17  154.329  245.933   29.265  266.487   16.385 -20.55389 33.53969 
1 1 1  -23   11   24 o  140.640   17.301  350.675   70.575  412.860  150.920  333.271   79.842  145.411   30.346  135.869   16.626 9.541992 34.60202 
1 1 1  -23   11   26 o  147.808   15.268  322.014   66.295  564.195  155.783  268.456   73.259  173.889   25.347  121.727   17.028 52.16145 30.53560 
1 1 1  -23   11   28 o  132.706   17.702  286.638   64.422  426.302  156.171  257.999   70.719  146.225   31.170  119.187   16.788 27.03828 35.40322 
1 1 1  -23   11   30 o  177.692   18.057  593.119   92.277  629.194  192.776  582.397  105.100  176.668   32.053  178.716   16.639 -2.047729 36.11436 
1 1 1  -23   11   32 o  291.650   16.078  1601.47  148.935  1634.71  279.542  1588.30  175.994  289.363   27.333  293.938   16.940 -4.574707 32.15678 
1 1 1  -23   11   34 o  303.342   14.444  1653.44  141.249  1988.41  268.978  1525.89  165.976  319.627   23.810  287.057   16.359 32.57007 28.88802 
1 1 1  -23   11   36 o  214.855   19.601  1015.82  117.825  821.864  229.894  1084.91  137.218  188.951   35.733  240.758   16.125 -51.80693 39.20277 
1 1 1  -23   12    1 o  143.980   29.727  399.466  146.267  399.466  146.267   0.0000   0.0000  143.980   29.727  ?   ?       ?      ? 
1 1 1  -23   12    3 f  122.949   32.526  295.014  143.529  295.014  143.529   0.0000   0.0000  122.949   32.526  ?   ?       ?      ? 
1 1 1  -23   12   11 o  143.208   22.207  373.548  112.403   0.0000   0.0000  373.548  112.403  ?   ?   143.208   22.207      ?      ? 
1 1 1  -23   12   13 o  158.750   22.236  459.298  124.762   0.0000   0.0000  459.298  124.762  ?   ?   158.750   22.236      ?      ? 
1 1 1  -23   12   17 o  260.417   23.191  1241.80  213.452   0.0000   0.0000  1241.80  213.452  ?   ?   260.417   23.191      ?      ? 
1 1 1  -23   12   19 o   52.722   19.065   42.466   45.626   0.0000   0.0000   42.466   45.626  ?   ?    52.722   19.065      ?      ? 
1 1 1  -23   12   21 o  273.352   16.542  1347.56  159.815   0.0000   0.0000  1347.56  159.815  ?   ?   273.352   16.542      ?      ? 
1 1 1  -23   12   23 o  153.440   15.291  424.057   82.927   0.0000   0.0000  424.057   82.927  ?   ?   153.440   15.291      ?      ? 
1 1 1  -23   12   25 o  299.930   16.906  1630.84  179.223   0.0000   0.0000  1630.84  179.223  ?   ?   299.930   16.906      ?      ? 
1 1 1  -23   12   27 o  226.803   16.426  934.090  131.677   0.0000   0.0000  934.090  131.677  ?   ?   226.803   16.426      ?      ? 
1 1 1  -23   12   29 o  308.969   17.897  1796.12  194.374  2052.64  292.408  1593.04  260.179  328.639   25.174  289.299   25.445 39.34030 35.79358 
1 1 1  -23   12   31 f  240.744   16.559  1071.46  119.570  1171.65  248.332  1041.22  136.425  243.234   28.886  238.254   16.201 4.979767 33.11893 
1 1 1  -23   12   33 o  299.254   15.559  1647.31  145.638  1893.71  287.717  1562.43  168.871  308.276   26.406  290.233   16.462 18.04300 31.11742 
1 1 1  -23   12   35 o  179.889   18.354  629.724   94.792  728.831  200.570  601.221  107.563  181.197   32.513  178.581   17.041 2.615936 36.70816 
1 1 1  -23   13    2 o  184.533   26.590  630.861  173.429   0.0000   0.0000  630.861  173.429  ?   ?   184.533   26.590      ?      ? 
1 1 1  -23   13    4 o   82.500   20.924  106.527   82.115   27.372  126.055  164.877  108.230   71.161   29.812   93.839   29.368 -22.67776 41.84766 
1 1 1  -23   13    6 o  299.261   15.539  1663.08  149.512  1556.89  270.363  1709.85  179.447  290.221   26.357  308.300   16.468 -18.07919 31.07889 
1 1 1  -23   13    8 o  286.982   17.537  1516.63  177.205  1486.84  260.550  1542.26  241.719  283.815   25.974  290.148   23.571 -6.333313 35.07436 
1 1 1  -23   13   10 o  159.197   19.873  487.145  104.088  446.561  171.218  510.935  131.093  151.060   32.992  167.333   22.166 -16.27283 39.74683 
1 1 1  -23   13   12 o   95.023   19.600  178.545   69.108  120.931  125.963  203.355   82.659   86.543   31.619  103.503   23.172 -16.96078 39.20094 
1 1 1  -23   13   14 o  180.052   22.330  592.550  142.102   0.0000   0.0000  592.550  142.102  ?   ?   180.052   22.330      ?      ? 
1 1 1  -23   13   16 o  119.824   23.560  271.937   96.223   0.0000   0.0000  271.937   96.223  ?   ?   119.824   23.560      ?      ? 
1 1 1  -23   13   18 o  128.400   23.555  311.767  102.959   0.0000   0.0000  311.767  102.959  ?   ?   128.400   23.555      ?      ? 
1 1 1  -23   13   20 o  236.719   22.973  1032.00  192.207   0.0000   0.0000  1032.00  192.207  ?   ?   236.719   22.973      ?      ? 
1 1 1  -23   13   22 o   39.955   16.157   13.043   35.350   0.0000   0.0000   13.043   35.350  ?   ?    39.955   16.157      ?      ? 
1 1 1  -23   13   24 o  268.421   23.537  1340.52  223.296   0.0000   0.0000  1340.52  223.296  ?   ?   268.421   23.537      ?      ? 
1 1 1  -23   13   26 o  242.481   23.273  1099.61  199.453   0.0000   0.0000  1099.61  199.453  ?   ?   242.481   23.273      ?      ? 
1 1 1  -23   13   28 o   86.997   23.419  147.864   73.606   0.0000   0.0000  147.864   73.606  ?   ?    86.997   23.419      ?      ? 
1 1 1  -23   13   32 o  112.648   23.826  255.544   91.897   0.0000   0.0000  255.544   91.897  ?   ?   112.648   23.826      ?      ? 
1 1 1  -23   13   34 o   61.822   18.884   74.365   45.059   0.0000   0.0000   74.365   45.059  ?   ?    61.822   18.884      ?      ? 
1 1 1  -23   14    1 o  213.148   18.735  848.475  139.673  707.347  195.747  994.860  199.359  194.168   28.523  232.129   24.299 -37.96088 37.47000 
1 1 1  -23   14    3 o  192.679   18.716  771.617  104.838  537.553  190.517  873.276  125.557  165.160   33.776  220.198   16.133 -55.03862 37.43121 
1 1 1  -23   14    5 o   55.318   15.289  -6.9317   23.680  128.177   98.410 -15.2350   24.396   84.382   28.144   26.255   11.954 58.12652 30.57769 
1 1 1  -23   14    7 f   79.315   18.908  118.432   52.258   0.0000   0.0000  118.432   52.258  ?   ?    79.315   18.908      ?      ? 
1 1 1  -23   14    9 o  271.465   16.225  1415.12  139.632  1193.49  250.188  1515.39  168.278  252.882   27.992  290.048   16.415 -37.16634 32.44963 
1 1 1  -23   14   11 o  229.849   15.413  968.335  114.167  958.659  208.725  972.466  136.376  227.425   25.967  232.272   16.612 -4.846924 30.82569 
1 1 1  -23   14   13 f  104.781   18.733  239.640   70.070   89.408  141.940  288.047   80.571   83.407   32.820  126.155   18.070 -42.74762 37.46556 
1 1 1  -23   14   15 o  172.088   17.426  552.124   87.883  557.577  177.491  550.353  101.153  169.488   30.762  174.688   16.383 -5.200180 34.85261 
1 1 1  -23   14   17 o  195.126   22.642  700.750  156.154   0.0000   0.0000  700.750  156.154  ?   ?   195.126   22.642      ?      ? 
1 1 1  -23   14   19 o  264.164   17.680  1301.22  163.957  1282.97  245.225  1315.98  220.484  261.646   26.517  266.683   23.392 -5.036713 35.36024 
1 1 1  -23   14   21 o  179.083   20.001  623.098  117.680  586.644  193.294  644.568  148.339  171.513   33.085  186.653   22.485 -15.14015 40.00266 
1 1 1  -23   14   23 o  231.820   23.080  1001.38  189.111   0.0000   0.0000  1001.38  189.111  ?   ?   231.820   23.080      ?      ? 
1 1 1  -23   14   25 o  271.861   23.739  1391.00  228.101   0.0000   0.0000  1391.00  228.101  ?   ?   271.861   23.739      ?      ? 
1 1 1  -23   14   27 o  288.367   24.197  1585.39  246.618   0.0000   0.0000  1585.39  246.618  ?   ?   288.367   24.197      ?      ? 
1 1 1  -23   14   29 o  123.636   24.149  303.363  101.744   0.0000   0.0000  303.363  101.744  ?   ?   123.636   24.149      ?      ? 
1 1 1  -23   14   31 o   95.821   23.417  186.342   78.636   0.0000   0.0000  186.342   78.636  ?   ?    95.821   23.417      ?      ? 
1 1 1  -23   14   33 o  134.218   24.218  370.689  110.659   0.0000   0.0000  370.689  110.659  ?   ?   134.218   24.218      ?      ? 
1 1 1  -23   15    2 o   42.195   13.406   1.9163   29.040 -106.5917   97.719   12.428   30.415   46.872   22.190   37.517   15.051 9.354481 26.81250 
1 1 1  -23   15    4 o  159.312   14.299  411.897   73.987  604.268  143.456  342.183   86.358  181.238   22.395  137.387   17.784 43.85167 28.59746 
1 1 1  -23   15    6 o  236.329   16.102  1068.32  120.913  927.340  217.624  1131.28  145.425  222.343   27.693  250.316   16.437 -27.97337 32.20349 
1 1 1  -23   15    8 o   62.842   17.512   38.571   36.857   79.282  120.358   34.359   38.717   77.660   30.321   48.024   17.532 29.63628 35.02475 
1 1 1  -23   15   10 f  190.405   12.744  565.763   78.568  916.456  153.874  442.090   91.377  224.354   19.405  156.457   16.524 67.89734 25.48725 
1 1 1  -23   15   12 o  133.188   20.590  361.513   93.138  266.992  154.168  415.839  116.879  115.938   34.823  150.438   21.981 -34.50077 41.18010 
1 1 1  -23   15   14 o  280.254   15.103  1383.86  137.845  1593.85  256.404  1298.49  163.479  292.804   24.776  267.704   17.278 25.10025 30.20534 
1 1 1  -23   15   16 o  150.316   17.781  410.464   94.468   0.0000   0.0000  410.464   94.468  ?   ?   150.316   17.781      ?      ? 
1 1 1  -23   15   18 o  200.024   14.316  687.488   91.743  848.749  178.013  629.164  107.055  213.656   23.573  186.391   16.250 27.26476 28.63148 
1 1 1  -23   15   20 o  191.500   17.248  677.060  102.187  707.934  201.305  666.343  118.604  191.776   29.699  191.225   17.548 0.5517731 34.49591 
1 1 1  -23   15   22 o   75.929   17.992  108.808   48.300   31.947  136.261  119.853   51.654   72.553   30.726   79.305   18.728 -6.751694 35.98342 
1 1 1  -23   15   24 o  254.334   14.653  1146.34  121.747  1364.09  226.408  1057.77  144.402  268.355   23.871  240.313   17.001 28.04213 29.30591 
1 1 1  -23   15   26 o  219.441   15.094  890.248  105.282  949.845  199.774  867.331  123.881  221.463   25.522  217.418   16.121 4.044571 30.18714 
1 1 1  -23   15   28 o  192.023   17.838  707.085  118.375  814.578  192.865  642.117  149.939  202.005   27.013  182.041   23.304 19.96379 35.67567 
1 1 1  -23   15   30 o  110.706   20.218  230.377   70.946  346.318  145.257  194.055   81.303  124.130   32.665   97.282   23.833 26.84766 40.43574 
1 1 1  -23   15   32 o  145.775   22.615  527.533  115.763  325.223  188.361  650.331  146.750  111.690   38.896  179.859   23.085 -68.16903 45.23078 
1 1 1  -23   16    1 o  140.147   18.535  380.443   81.919  364.908  149.004  387.172   98.070  134.835   31.785  145.459   19.076 -10.62389 37.06987 
1 1 1  -23   16    3 o  189.367   18.736  739.927  105.146  548.601  189.174  825.458  126.484  165.408   33.507  213.326   16.775 -47.91798 37.47131 
1 1 1  -23   16    5 o   74.772   17.801   99.509   49.362   75.335  111.782  105.365   55.017   74.966   29.234   74.579   20.319 0.3873367 35.60189 
1 1 1  -23   16    7 o   78.330   17.815   81.541   47.290  187.239  108.252   56.613   52.571   98.124   29.114   58.537   20.540 39.58716 35.62999 
1 1 1  -23   16    9 o   83.238   17.821  129.346   49.869  115.117  113.439  132.755   55.522   82.774   30.042   83.703   19.178 -0.9294586 35.64153 
1 1 1  -23   16   11 f  155.070   14.629  409.699   72.402  519.094  142.072  371.323   84.148  166.995   24.071  143.145   16.632 23.85042 29.25784 
1 1 1  -23   16   13 o  162.601   17.907  511.901   87.826  478.328  166.391  524.867  103.403  155.229   31.406  169.974   17.212 -14.74524 35.81321 
1 1 1  -23   16   15 o   79.975   20.793  122.139   59.320   0.0000   0.0000  122.139   59.320  ?   ?    79.975   20.793      ?      ? 
1 1 1  -23   16   17 o  115.406   17.124  242.574   69.846   0.0000   0.0000  242.574   69.846  ?   ?   115.406   17.124      ?      ? 
1 1 1  -23   16   19 o  259.398   15.522  1243.13  128.322  1278.00  240.607  1229.27  151.698  259.021   26.282  259.775   16.522 -0.7532959 31.04358 
1 1 1  -23   16   21 o  183.410   14.904  584.802   87.281  731.307  170.503  532.779  101.602  196.176   24.590  170.644   16.846 25.53250 29.80718 
1 1 1  -23   16   23 o  266.419   16.919  1377.30  144.083  1295.28  261.268  1413.15  172.723  256.084   28.866  276.754   17.658 -20.67032 33.83834 
1 1 1  -23   16   25 o  162.465   20.608  611.768   96.639  386.761  184.142  697.296  113.530  130.624   37.755  194.306   16.531 -63.68187 41.21555 
1 1 1  -23   16   27 o  195.194   16.347  713.143  100.156  814.593  196.131  677.355  116.490  200.131   27.727  190.256   17.323 9.875015 32.69415 
1 1 1  -23   16   29 o  145.324   16.579  390.383   72.143  500.970  148.519  356.231   82.534  153.217   28.474  137.432   16.991 15.78552 33.15806 
1 1 1  -23   17    2 o  100.302   21.333  178.773   82.460  110.220  103.692  296.707  136.005   79.779   28.758  120.824   31.518 -41.04480 42.66608 
1 1 1  -23   17    4 o  264.726   14.532  1267.84  127.858  1375.59  225.956  1217.09  155.073  270.999   23.590  258.454   16.976 12.54507 29.06358 
1 1 1  -23   17    6 o  141.183   19.605  485.316   88.132  173.357  160.912  618.999  105.337   97.732   35.733  184.635   16.142 -86.90346 39.20926 
1 1 1  -23   17    8 o  278.812   14.043  1362.55  131.136  1647.60  233.105  1230.57  158.615  297.775   22.148  259.849   17.270 37.92667 28.08599 
1 1 1  -23   17   10 o  197.099   17.691  709.268  123.241   0.0000   0.0000  709.268  123.241  ?   ?   197.099   17.691      ?      ? 
1 1 1  -23   17   12 o  138.462   18.347  371.277   78.216  363.927  148.655  374.091   91.977  133.975   31.859  142.948   18.205 -8.973251 36.69324 
1 1 1  -23   17   14 o  197.427   15.077  673.981   98.493  872.728  181.335  590.810  117.305  215.441   23.814  179.413   18.499 36.02829 30.15473 
1 1 1  -23   17   16 o  101.652   19.206  190.903   64.833  245.050  123.388  170.253   76.199  109.858   30.628   93.445   23.183 16.41322 38.41216 
1 1 1  -23   17   18 o  216.329   14.732  848.847  103.296  936.977  191.625  812.749  122.640  221.862   24.437  210.796   16.461 11.06563 29.46398 
1 1 1  -23   17   20 o  125.030   18.772  327.205   71.861  268.623  142.564  347.160   83.205  112.755   33.401  137.306   17.145 -24.55025 37.54414 
1 1 1  -23   17   22 o  148.307   19.725  485.623   84.006  360.829  169.204  526.447   96.776  127.577   35.972  169.036   16.198 -41.45908 39.45068 
1 1 1  -23   17   24 o  148.385   17.313  403.396   75.905  509.724  158.942  371.982   86.394  155.612   29.986  141.157   17.316 14.45421 34.62688 
1 1 1  -23   17   26 o  107.405   18.022  255.389   61.069  192.544  128.773  273.625   69.366   93.811   32.189  121.000   16.220 -27.18893 36.04490 
1 1 1  -23   17   28 o  154.647   18.405  486.341   83.302  522.328  168.954  474.783   95.749  151.183   32.579  158.111   17.134 -6.927307 36.81001 
1 1 1  -23   18    1 o  130.684   18.188  329.484   78.311  372.425  131.715  306.006   97.395  135.807   28.356  125.560   22.786 10.24732 36.37650 
1 1 1  -23   18    3 o  102.156   33.935  212.436  143.122   0.0000   0.0000  212.436  143.122  ?   ?   102.156   33.935      ?      ? 
1 1 1  -23   18    5 o  248.379   13.476  1101.66  112.640  1271.33  196.555  1018.68  137.448  260.733   21.329  236.025   16.476 24.70772 26.95164 
1 1 1  -23   18    7 o  218.156   15.655  880.149  112.819  930.127  200.135  856.870  136.589  220.433   25.688  215.880   17.901 4.552246 31.30999 
1 1 1  -23   18    9 f  245.361   13.765  1072.01  112.373  1244.53  200.986  993.549  135.537  257.563   22.078  233.160   16.447 24.40263 27.53078 
1 1 1  -23   18   11 o  203.837   16.713  790.214  110.856  776.750  197.926  796.369  133.815  199.786   28.030  207.888   18.212 -8.101791 33.42653 
1 1 1  -23   18   13 o   90.494   16.696  173.899   55.602   87.176  104.280  208.349   65.725   74.560   28.455  106.428   17.472 -31.86785 33.39143 
1 1 1  -23   18   15 o  346.979   25.393  2321.70  311.418   0.0000   0.0000  2321.70  311.418  ?   ?   346.979   25.393      ?      ? 
1 1 1  -23   18   17 o  133.313   17.497  349.368   71.375  345.338  136.613  350.882   83.709  128.792   30.485  137.833   17.183 -9.041443 34.99377 
1 1 1  -23   18   19 o   59.980   16.620   49.497   42.762   42.472  101.456   51.014   47.156   65.125   26.969   54.836   19.433 10.28989 33.24056 
1 1 1  -23   18   21 o   97.993   18.523  175.673   57.888  253.093  119.743  152.061   66.129  108.609   30.134   87.377   21.548 21.23240 37.04541 
1 1 1  -23   18   23 f   87.543   17.060  176.164   59.106   41.917  123.965  215.662   67.241   68.202   29.109  106.885   17.799 -38.68269 34.11972 
1 1 1  -23   18   25 o   62.320   17.101   63.463   44.005   26.672  119.898   69.190   47.306   64.598   28.105   60.042   19.489 4.556675 34.20102 
1 1 1  -23   19    2 o   93.433   17.464  168.086   56.048  206.684   97.347  148.947   68.549  100.267   26.908   86.598   22.271 13.66875 34.92870 
1 1 1  -23   19    4 o  160.783   20.169  509.073  110.884  446.166  142.575  605.367  176.396  147.821   28.320  173.744   28.725 -25.92326 40.33782 
1 1 1  -23   19    6 o  125.905   17.357  345.151   69.801  220.699  119.697  409.280   85.923  102.745   30.644  149.064   16.309 -46.31871 34.71331 
1 1 1  -23   19    8 o   90.020   17.213  140.945   49.202  211.078  103.551  120.493   55.918  101.393   27.981   78.647   20.054 22.74580 34.42538 
1 1 1  -23   19   10 o   36.380   11.911 -12.5346   15.207   22.032   67.447 -14.3858   15.608   53.077   21.985   19.683   9.1735 33.39377 23.82192 
1 1 1  -23   19   12 o  182.657   14.965  660.472   87.809  555.006  152.604  712.674  107.363  168.322   25.651  196.993   15.420 -28.67119 29.92917 
1 1 1  -23   19   14 o  132.596   24.007  349.215  108.366   0.0000   0.0000  349.215  108.366  ?   ?   132.596   24.007      ?      ? 
1 1 1  -23   19   16 o  197.218   15.140  755.539   97.868  714.995  170.349  775.515  119.570  190.098   25.354  204.339   16.556 -14.24045 30.28051 
1 1 1  -23   19   18 o   86.938   18.092  155.987   55.149  140.416  111.927  160.980   63.376   83.690   29.909   90.186   20.364 -6.496284 36.18317 
1 1 1  -23   19   20 o  221.775   18.666  1011.10  144.457  925.398  214.152  1082.65  195.681  210.224   28.822  233.326   23.728 -23.10210 37.33253 
1 1 1  -23   19   22 o  138.508   22.416  434.602  107.471  462.921  149.501  404.318  154.600  144.863   30.179  132.154   33.154 12.70987 44.83253 
1 1 1  -23   20    1 o   68.386   16.322   91.756   46.778   66.780   80.118  104.675   57.620   64.358   24.846   72.414   21.174 -8.056122 32.64436 
1 1 1  -23   20    3 o   66.973   16.173   69.378   40.622  128.536   83.987   51.313   46.411   79.583   25.974   54.363   19.277 25.21934 32.34616 
1 1 1  -23   20    5 o   60.347   15.598   62.190   44.988   15.326   77.716   85.810   55.172   54.151   23.078   66.543   20.990 -12.39264 31.19587 
1 1 1  -23   20    7 o   56.862   14.924   53.628   37.223   31.559   76.143   60.558   42.669   56.717   23.415   57.007   18.509 -0.2898674 29.84707 
1 1 1  -23   20    9 o   88.577   17.141  131.672   50.204  240.176  101.174   96.227   57.826  107.146   26.788   70.008   21.394 37.13821 34.28236 
1 1 1  -23   20   11 o  124.205   17.478  291.021   69.836  389.671  126.742  248.012   83.686  136.875   27.157  111.535   22.010 25.34018 34.95658 
1 1 1  -23   20   13 o   63.855   20.873   77.947   54.230   0.0000   0.0000   77.947   54.230  ?   ?    63.855   20.873      ?      ? 
1 1 1  -23   20   15 o   56.053   15.263   46.328   37.903   49.157   78.766   45.476   43.239   60.382   24.222   51.724   18.578 8.658192 30.52649 
1 1 1  -23   20   17 o  181.063   15.354  660.817   91.509  588.766  154.420  699.813  113.605  169.478   25.779  192.649   16.684 -23.17126 30.70729 
1 1 1  -23   20   19 o  150.109   18.952  448.343   95.094  251.508  121.427  760.513  152.919  104.842   30.762  195.376   22.145 -90.53381 37.90353 
1 1 1  -23   21    2 o  138.045   21.241  377.370  103.636   0.0000   0.0000  377.370  103.636  ?   ?   138.045   21.241      ?      ? 
1 1 1  -23   21    4 o   74.842   15.734  116.097   52.205   18.743   82.770  180.411   67.274   55.228   23.684   94.456   20.721 -39.22739 31.46892 
1 1 1  -23   21    6 o   54.991   13.695   39.254   31.289   94.848   59.664   18.164   36.748   68.847   21.839   41.134   16.529 27.71222 27.38942 
1 1 1  -23   21    8 o   93.479   18.454  191.839   64.684  146.532   99.965  224.472   84.838   82.950   28.363  104.007   23.617 -21.05704 36.90855 
1 1 1  -23   21   10 o   99.916   18.327  232.044   71.371  112.190  123.532  292.095   87.441   77.464   30.574  122.368   20.217 -44.90449 36.65421 
1 1 1  -23   21   12 o   79.369   21.362  128.878   61.247   0.0000   0.0000  128.878   61.247  ?   ?    79.369   21.362      ?      ? 
1 1 1  -22    0    2 o  384.704   12.431  2647.41  237.902  2647.41  237.902  2647.41  237.902  384.704   17.580  384.704   17.580 -0.000000 0.000000 
1 1 1  -22    0    4 o  293.120   11.512  1539.90  167.480  1539.90  167.480  1539.90  167.480  293.120   16.281  293.120   16.281 -0.000000 0.000000 
1 1 1  -22    0    6 o  353.931   12.256  2241.88  215.633  2241.88  215.633  2241.88  215.633  353.931   17.332  353.931   17.332 -0.000000 0.000000 
1 1 1  -22    0    8 o   86.135   13.693  150.024   51.451  150.024   51.451  150.024   51.451   86.135   19.364   86.135   19.364 -0.000000 0.000000 
1 1 1  -22    0   10 o  235.789   11.267  1000.49  131.398  1000.49  131.398  1000.49  131.398  235.789   15.934  235.789   15.934 -0.000000 0.000000 
1 1 1  -22    0   12 o  199.169   11.229  717.604  110.149  717.604  110.149  717.604  110.149  199.169   15.880  199.169   15.880 -0.000000 0.000000 
1 1 1  -22    0   14 o   42.636   13.616   46.826   31.183   46.826   31.183   46.826   31.183   42.636   19.256   42.636   19.256 -0.000000 0.000000 
1 1 1  -22    0   16 o   84.009   13.059  142.042   47.989  142.042   47.989  142.042   47.989   84.009   18.468   84.009   18.468 -0.000000 0.000000 
1 1 1  -22    0   18 o  768.432   17.321 10603.51  663.744 10603.51  663.744 10603.51  663.744  768.432   24.495  768.432   24.495 -0.000000 0.000000 
1 1 1  -22    0   20 o  331.793   12.138  1974.09  200.067  1974.09  200.067  1974.09  200.067  331.793   17.165  331.793   17.165 -0.000000 0.000000 
1 1 1  -22    0   22 o  556.018   14.436  5540.36  399.993  5540.36  399.993  5540.36  399.993  556.018   20.416  556.018   20.416 -0.000000 0.000000 
1 1 1  -22    0   26 f   76.788   13.884  123.369   46.067  123.369   46.067  123.369   46.067   76.788   19.635   76.788   19.635 -0.000000 0.000000 
1 1 1  -22    0   28 o  157.785   11.363  456.578   87.490  456.578   87.490  456.578   87.490  157.785   16.070  157.785   16.070 -0.000000 0.000000 
1 1 1  -22    0   30 o   44.669   14.515   51.907   35.501   51.907   35.501   51.907   35.501   44.669   20.527   44.669   20.527 -0.000000 0.000000 
1 1 1  -22    0   32 o   28.704   11.497   19.300   25.453   19.300   25.453   19.300   25.453   28.704   16.260   28.704   16.260 -0.000000 0.000000 
1 1 1  -22    0   34 o  357.302   17.714  2345.42  312.796  2345.42  312.796  2345.42  312.796  357.302   25.052  357.302   25.052 -0.000000 0.000000 
1 1 1  -22    0   38 o   82.325   21.616  166.510   82.653  166.510   82.653  166.510   82.653   82.325   30.570   82.325   30.570 -0.000000 0.000000 
1 1 1  -22    0   40 o  110.343   21.250  269.315  101.317  269.315  101.317  269.315  101.317  110.343   30.051  110.343   30.051 -0.000000 0.000000 
1 1 1  -22    0   42 o   33.781   14.753   18.163   48.998   18.163   48.998   18.163   48.998   33.781   20.863   33.781   20.863 -0.000000 0.000000 
1 1 1  -22    1    1 o  240.221   11.358  1030.81   96.341  1084.56  136.464  977.402  136.031  246.527   15.661  233.914   16.454 12.61305 22.71573 
1 1 1  -22    1    3 o  122.302   13.995  276.573   55.220  260.665   94.703  284.769   67.972  118.226   23.492  126.378   15.217 -8.152290 27.98959 
1 1 1  -22    1    5 o   65.090   11.205   78.870   26.338   49.576   37.265  108.108   37.230   53.464   17.292   76.716   14.255 -23.25214 22.41002 
1 1 1  -22    1    7 o  454.171   12.959  3690.94  208.018  3669.52  294.235  3712.34  294.129  452.837   18.384  455.506   18.269 -2.669159 25.91776 
1 1 1  -22    1    9 o  434.063   12.904  3371.41  197.948  3310.30  279.962  3432.49  279.919  430.081   18.417  438.046   18.080 -7.964844 25.80849 
1 1 1  -22    1   11 o  133.812   10.956  319.353   51.813  315.692   73.451  322.980   73.100  133.039   15.621  134.585   15.367 -1.546738 21.91269 
1 1 1  -22    1   13 o  166.917   13.286  514.220   72.725  543.377   89.258  456.638  125.434  174.634   14.461  159.200   22.292 15.43419 26.57182 
1 1 1  -22    1   15 o  380.960   12.343  2596.82  166.184  2571.26  235.063  2622.36  234.976  379.062   17.545  382.859   17.365 -3.797150 24.68518 
1 1 1  -22    1   17 o  432.416   12.886  3351.90  196.894  3433.42  278.527  3270.47  278.375  437.745   18.002  427.086   18.441 10.65839 25.77139 
1 1 1  -22    1   19 o  242.178   11.381  1048.58   97.419  1049.61  137.815  1047.56  137.729  242.298   16.093  242.059   16.098 0.2385559 22.76251 
1 1 1  -22    1   21 o  152.568   10.805  415.984   58.241  430.268   82.493  401.789   82.238  155.206   15.038  149.930   15.519 5.276077 21.60976 
1 1 1  -22    1   23 o  389.901   15.094  2703.71  197.571  2888.29  341.665  2610.99  242.165  398.478   24.259  381.325   17.968 17.15338 30.18856 
1 1 1  -22    1   25 o   76.089   13.516   97.150   34.315  144.627   62.705   76.853   41.000   87.792   20.568   64.386   17.540 23.40620 27.03178 
1 1 1  -22    1   27 o  103.860   11.169  193.674   40.878  177.625   58.034  209.479   57.590   99.516   16.499  108.204   15.059 -8.688263 22.33811 
1 1 1  -22    1   29 o  105.075   10.701  198.057   39.676  185.437   56.169  210.623   56.053  101.683   15.629  108.468   14.621 -6.784752 21.40182 
1 1 1  -22    1   31 o  270.612   11.683  1317.71  111.742  1333.05  158.298  1302.48  157.757  272.201   16.454  269.022   16.591 3.179321 23.36665 
1 1 1  -22    1   33 o  202.005   15.054  792.147   96.982  875.674  118.645  623.966  168.355  220.693   15.210  183.318   25.984 37.37560 30.10837 
1 1 1  -22    1   35 o  204.907   15.627  758.021  113.179   0.0000   0.0000  758.021  113.179  ?   ?   204.907   15.627      ?      ? 
1 1 1  -22    1   37 o  201.687   14.767  760.815   97.864  727.584  171.027  776.993  119.332  196.625   24.610  206.749   16.330 -10.12389 29.53488 
1 1 1  -22    1   39 o  338.012   18.003  2199.84  215.053  2164.34  304.428  2235.21  303.835  335.016   25.710  341.007   25.209 -5.990997 36.00669 
1 1 1  -22    1   41 o  168.963   17.608  565.096  100.797  443.375  137.922  704.639  147.674  146.659   27.621  191.266   21.845 -44.60715 35.21499 
1 1 1  -22    1   43 o  160.189   18.096  527.959   99.267  444.816  135.415  624.536  145.945  144.154   27.583  176.224   23.432 -32.06969 36.19202 
1 1 1  -22    2    2 o  232.297   11.139  963.700   91.366  914.836  129.312  1012.41  129.111  226.353   16.163  238.241   15.333 -11.88791 22.27900 
1 1 1  -22    2    4 o  191.075   11.011  651.621   74.300  622.512  105.190  680.603  104.962  186.773   15.935  195.378   15.200 -8.605530 22.02139 
1 1 1  -22    2    6 o  213.475   10.979  813.458   82.703  868.704  117.136  758.543  116.785  220.772   15.012  206.177   16.026 14.59448 21.95858 
1 1 1  -22    2    8 o  449.747   16.615  3772.52  243.944  3304.39  421.981  4007.50  298.962  426.139   28.017  473.354   17.869 -47.21500 33.23048 
1 1 1  -22    2   10 o  298.627   11.684  1592.55  123.301  1623.56  174.395  1561.56  174.352  301.564   16.362  295.690   16.683 5.873810 23.36730 
1 1 1  -22    2   12 o  123.678   13.018  263.117   54.501  239.028   66.758  311.258   94.375  115.698   16.325  131.658   20.281 -15.95972 26.03516 
1 1 1  -22    2   14 o   39.564   9.5709   24.516   16.586   13.870   23.629   34.856   23.287   34.877   13.485   44.251   13.585 -9.374584 19.14181 
1 1 1  -22    2   16 o  412.874   15.791  3120.86  215.354  3209.50  263.901  2944.16  372.590  423.384   17.635  402.363   26.199 21.02124 31.58198 
1 1 1  -22    2   18 o  240.367   11.422  1034.54   96.788  1119.59  136.899  949.543  136.858  250.375   15.470  230.360   16.809 20.01495 22.84433 
1 1 1  -22    2   20 o  477.657   13.544  4101.54  228.608  4203.05  323.420  4000.17  323.182  483.662   18.919  471.651   19.387 12.01096 27.08849 
1 1 1  -22    2   22 o  267.958   11.476  1285.43  108.659  1319.62  153.729  1251.29  153.604  271.565   16.016  264.352   16.440 7.212402 22.95199 
1 1 1  -22    2   24 o  526.955   17.781  5126.66  309.521  5247.07  379.081  4885.83  536.114  539.453   19.882  514.458   29.484 24.99554 35.56123 
1 1 1  -22    2   26 o   14.110   5.2606 -20.5250   6.0649 -57.2690   24.192 -18.0607   6.2650   19.136   9.4851   9.0843   4.5527 10.05218 10.52113 
1 1 1  -22    2   28 o  254.745   11.366  1164.04  102.322  1191.66  144.864  1136.54  144.545  257.801   15.899  251.688   16.249 6.113449 22.73292 
1 1 1  -22    2   30 o  392.507   12.631  2778.25  175.218  2804.37  247.949  2752.20  247.643  394.382   17.788  390.632   17.937 3.750885 25.26118 
1 1 1  -22    2   32 o   85.504   14.289  138.520   40.030  132.698   72.784  141.044   47.931   83.795   23.580   87.213   16.144 -3.417412 28.57731 
1 1 1  -22    2   34 o  196.935   14.657  730.644   93.425  653.308  164.704  767.330  113.440  187.548   24.847  206.323   15.556 -18.77533 29.31474 
1 1 1  -22    2   36 o  570.169   21.760  6279.19  438.353  6465.65  620.663  6093.62  619.188  579.337   30.311  561.002   31.228 18.33484 43.51936 
1 1 1  -22    2   38 o  472.969   17.041  4242.29  266.727  4203.06  463.226  4261.75  326.236  465.608   28.148  480.331   19.216 -14.72348 34.08222 
1 1 1  -22    2   40 o   63.084   13.714   61.722   33.715  121.401   58.523   32.075   41.248   78.724   20.742   47.444   17.947 31.28017 27.42854 
1 1 1  -22    2   42 o  410.977   19.660  3497.55  283.623  3052.21  396.591  3963.75  405.774  380.398   29.497  441.556   26.000 -61.15717 39.32064 
1 1 1  -22    3    1 o  160.450   11.212  459.829   63.559  448.071   90.207  471.421   89.568  158.386   16.114  162.515   15.593 -4.129196 22.42353 
1 1 1  -22    3    3 o  145.967   10.814  380.032   55.791  381.928   79.166  378.160   78.638  146.327   15.307  145.606   15.280 0.7212982 21.62860 
1 1 1  -22    3    5 o  120.246   10.591  257.807   44.981  269.762   63.855  246.031   63.373  123.034   14.684  117.458   15.265 5.575836 21.18131 
1 1 1  -22    3    7 o  432.230   12.704  3343.17  194.039  3274.85  274.541  3411.36  274.283  427.759   18.159  436.700   17.770 -8.940826 25.40726 
1 1 1  -22    3    9 f  191.197   10.857  651.978   73.350  670.528  103.998  633.616  103.470  193.924   15.173  188.471   15.533 5.453323 21.71379 
1 1 1  -22    3   11 o  279.553   11.489  1395.58  113.505  1375.39  160.696  1415.69  160.346  277.510   16.383  281.595   16.111 -4.084869 22.97763 
1 1 1  -22    3   13 o  432.672   12.961  3354.34  198.125  3470.66  280.326  3238.24  280.056  440.269   18.015  425.076   18.641 15.19260 25.92286 
1 1 1  -22    3   15 o  511.991   13.719  4706.08  248.259  4749.59  351.219  4662.64  350.965  514.391   19.318  509.592   19.486 4.798920 27.43883 
1 1 1  -22    3   17 o  298.343   11.615  1591.65  122.480  1596.10  173.352  1587.21  173.073  298.761   16.417  297.924   16.436 0.8372803 23.23053 
1 1 1  -22    3   19 o  462.445   13.291  3840.98  217.219  3900.82  307.331  3781.26  307.058  466.099   18.656  458.791   18.936 7.308044 26.58191 
1 1 1  -22    3   21 o  321.323   11.927  1851.07  135.275  1962.02  191.506  1740.58  191.110  331.068   16.366  311.579   17.354 19.48853 23.85378 
1 1 1  -22    3   23 o  421.080   16.029  3210.24  224.769  3200.95  275.295  3228.82  389.282  421.968   18.459  420.193   26.212 1.774292 32.05891 
1 1 1  -22    3   25 o  334.097   14.886  2029.60  165.185  2051.65  202.505  1985.77  285.558  338.170   16.943  330.024   24.481 8.145996 29.77192 
1 1 1  -22    3   27 o  272.361   11.632  1331.64  111.822  1413.70  158.436  1250.20  157.846  280.845   15.961  263.876   16.924 16.96884 23.26359 
1 1 1  -22    3   29 o  659.094   23.207  8191.80  540.513  8030.53  765.112  8352.47  763.693  652.143   33.194  666.045   32.441 -13.90210 46.41419 
1 1 1  -22    3   31 o  257.059   14.328  1203.38  121.624  1191.86  213.161  1208.94  148.096  254.869   23.663  259.249   16.162 -4.379639 28.65599 
1 1 1  -22    3   33 o  362.203   15.102  2379.66  182.257  2462.67  317.259  2338.77  222.665  364.861   24.602  359.546   17.522 5.314270 30.20362 
1 1 1  -22    3   35 o  167.965   13.759  512.429   76.325  525.467  134.837  506.282   92.585  168.535   22.636  167.396   15.649 1.138931 27.51844 
1 1 1  -22    3   37 o  257.009   13.988  1204.07  119.611  1261.15  209.251  1176.37  145.774  259.717   22.795  254.300   16.219 5.417465 27.97625 
1 1 1  -22    3   39 o  574.614   18.262  6298.62  350.208  6710.41  608.656  6094.83  428.187  580.336   29.674  568.892   21.295 11.44403 36.52422 
1 1 1  -22    3   41 o  468.529   17.093  4365.01  263.407  4186.59  455.658  4454.56  322.812  451.703   28.541  485.355   18.818 -33.65240 34.18602 
1 1 1  -22    3   43 o   93.314   26.430  188.433   91.130  188.433   91.130   0.0000   0.0000   93.314   26.430  ?   ?       ?      ? 
1 1 1  -22    4    2 o  306.241   11.870  1676.81  128.474  1674.28  181.908  1679.32  181.473  306.004   16.819  306.479   16.753 -0.4747925 23.73915 
1 1 1  -22    4    4 o  194.376   11.116  674.362   76.357  689.398  108.366  659.534  107.609  196.543   15.600  192.209   15.840 4.333252 22.23187 
1 1 1  -22    4    6 o  137.030   10.965  335.001   53.090  347.094   75.487  323.165   74.681  139.493   15.311  134.567   15.702 4.926468 21.93091 
1 1 1  -22    4    8 o  240.552   11.216  1033.04   95.338  1012.15  135.097  1053.77  134.561  238.099   16.053  243.004   15.667 -4.904663 22.43138 
1 1 1  -22    4   10 o  481.749   13.555  4162.44  230.759  4255.07  326.515  4070.00  326.170  487.179   18.962  476.318   19.374 10.86157 27.10979 
1 1 1  -22    4   12 o  112.736   10.914  227.194   43.281  254.941   61.681  200.281   60.747  119.586   14.593  105.885   16.232 13.70103 21.82748 
1 1 1  -22    4   14 o   73.550   12.121  100.547   30.912  102.657   44.549   98.589   42.928   74.286   17.291   72.813   16.991 1.473389 24.24214 
1 1 1  -22    4   16 o  431.423   16.059  3356.18  230.939  3340.59  282.942  3387.29  399.712  431.520   18.551  431.326   26.219 0.1938477 32.11862 
1 1 1  -22    4   18 o  254.491   11.271  1157.93  101.373  1180.03  143.610  1135.99  143.118  256.934   15.814  252.048   16.065 4.886093 22.54284 
1 1 1  -22    4   20 o  421.209   12.874  3187.94  191.370  3390.38  270.883  2986.23  270.394  434.776   17.628  407.641   18.767 27.13531 25.74766 
1 1 1  -22    4   22 o  557.648   20.825  5735.23  410.395  5830.59  579.991  5639.62  580.783  562.509   29.172  552.787   29.726 9.722595 41.64925 
1 1 1  -22    4   24 o  612.200   15.295  6788.10  330.755  7059.51  467.955  6517.15  467.563  624.726   21.193  599.673   22.060 25.05249 30.59068 
1 1 1  -22    4   26 o  213.274   15.818  825.644  119.162  865.726  170.055  786.978  167.027  218.445   22.026  208.103   22.709 10.34174 31.63556 
1 1 1  -22    4   28 o  117.957   15.590  274.773   57.544  215.833  102.802  301.668   69.442  106.162   27.257  129.753   15.142 -23.59094 31.18084 
1 1 1  -22    4   30 o  542.461   17.581  5387.56  317.474  5490.21  551.197  5336.60  388.362  542.726   28.735  542.196   20.266 0.5303955 35.16217 
1 1 1  -22    4   32 o  327.327   14.873  1950.86  161.316  1968.43  282.114  1942.32  196.634  326.604   24.439  328.050   16.959 -1.446838 29.74674 
1 1 1  -22    4   34 o  533.187   17.620  5267.20  312.413  5372.02  542.894  5215.31  382.002  532.513   28.845  533.862   20.245 -1.348206 35.24017 
1 1 1  -22    4   36 o  173.733   14.232  564.213   80.508  532.305  142.534  579.163   97.562  168.628   23.915  178.837   15.435 -10.20929 28.46326 
1 1 1  -22    4   38 o   49.717   13.171   36.843   27.841   20.499   61.167   41.114   31.267   51.160   21.038   48.274   15.853 2.885666 26.34224 
1 1 1  -22    4   40 o  235.742   16.703  1078.50  139.116  1119.56  199.132  1039.35  194.432  240.277   23.448  231.207   23.793 9.070389 33.40528 
1 1 1  -22    4   42 o   78.664   16.578  125.654   49.021  136.270   76.192  118.155   64.035   81.088   24.509   76.239   22.330 4.848488 33.15588 
1 1 1  -22    5    1 o  163.695   13.613  493.614   73.406  444.981  126.068  518.560   90.291  156.923   22.730  170.466   14.986 -13.54283 27.22554 
1 1 1  -22    5    3 o  250.973   14.284  1139.28  118.223  1112.64  207.238  1152.13  143.943  247.995   23.643  253.950   16.037 -5.954971 28.56888 
1 1 1  -22    5    5 o   92.019   11.590  154.004   36.559  185.373   52.856  125.230   50.622  101.963   14.667   82.075   17.950 19.88760 23.18020 
1 1 1  -22    5    7 o   71.928   12.383   96.710   31.413   79.129   44.963  113.474   43.904   65.589   18.561   78.268   16.396 -12.67854 24.76546 
1 1 1  -22    5    9 o   58.449   11.008   63.253   23.199   57.569   33.508   68.486   32.151   56.118   16.072   60.779   15.046 -4.661369 22.01623 
1 1 1  -22    5   11 o  426.251   13.060  3257.05  196.746  3222.58  278.431  3291.42  278.052  423.962   18.581  428.540   18.358 -4.577698 26.11998 
1 1 1  -22    5   13 o  329.341   11.830  1939.96  137.699  1929.45  195.007  1950.42  194.466  328.435   16.799  330.247   16.660 -1.811981 23.65946 
1 1 1  -22    5   15 o  181.883   10.871  590.727   69.871  608.443   99.263  573.330   98.366  184.605   15.213  179.160   15.534 5.444763 21.74290 
1 1 1  -22    5   17 f  255.665   13.336  1132.47  114.702  1309.29  200.692  1046.69  139.782  269.447   21.074  241.883   16.350 27.56456 26.67260 
1 1 1  -22    5   19 o  278.934   11.487  1393.35  113.086  1483.66  160.313  1303.91  159.545  288.041   15.747  269.826   16.729 18.21530 22.97466 
1 1 1  -22    5   21 o  410.140   18.013  3020.93  261.123   0.0000   0.0000  3020.93  261.123  ?   ?   410.140   18.013      ?      ? 
1 1 1  -22    5   23 o  537.444   17.483  5253.46  312.646  5307.98  542.630  5226.37  382.521  536.716   28.605  538.173   20.110 -1.457336 34.96645 
1 1 1  -22    5   25 o  277.718   14.386  1398.77  132.203  1378.55  230.658  1408.66  161.332  275.119   23.721  280.316   16.284 -5.197601 28.77201 
1 1 1  -22    5   27 o  109.734   14.343  214.559   49.850  240.793   92.868  203.940   59.084  112.817   24.026  106.651   15.674 6.165825 28.68696 
1 1 1  -22    5   29 o  510.432   17.159  4759.52  291.368  4841.11  506.413  4719.14  356.238  510.520   28.065  510.345   19.750 0.1748657 34.31783 
1 1 1  -22    5   31 o  344.527   15.005  2167.40  171.218  2158.83  298.689  2171.60  208.958  342.103   24.703  346.950   17.040 -4.846161 30.00963 
1 1 1  -22    5   33 o  482.940   19.213  4248.02  327.944   0.0000   0.0000  4248.02  327.944  ?   ?   482.940   19.213      ?      ? 
1 1 1  -22    5   35 o  220.056   15.001  916.893  106.617  830.400  189.074  957.218  129.100  210.203   25.449  229.909   15.887 -19.70587 30.00107 
1 1 1  -22    5   37 o  220.292   16.081  909.742  124.860  1005.07  180.393  822.076  172.997  231.755   22.023  208.829   23.438 22.92558 32.16147 
1 1 1  -22    5   39 o  104.304   18.318  225.716   68.460  166.557  102.276  273.737   92.147   90.628   28.577  117.981   22.924 -27.35340 36.63560 
1 1 1  -22    5   41 o  153.353   18.725  489.287   97.357  411.435  142.191  557.993  133.578  137.949   30.016  168.758   22.395 -30.80984 37.45023 
1 1 1  -22    6    2 o  242.500   13.812  1070.08  111.167  1097.30  136.686  1016.91  191.062  247.844   15.604  237.155   22.794 10.68871 27.62319 
1 1 1  -22    6    4 o  188.469   10.820  635.534   71.888  588.648  102.307  681.261  101.034  181.505   15.948  195.432   14.627 -13.92722 21.63964 
1 1 1  -22    6    6 o  288.265   11.643  1486.18  118.577  1443.17  168.157  1528.72  167.234  284.057   16.749  292.473   16.178 -8.415680 23.28625 
1 1 1  -22    6    8 o  185.067   10.882  612.616   71.021  571.397  101.093  652.786   99.798  178.834   15.994  191.301   14.760 -12.46683 21.76372 
1 1 1  -22    6   10 o  256.106   11.488  1173.46  103.764  1268.64  147.354  1079.84  146.143  266.523   15.642  245.689   16.829 20.83430 22.97649 
1 1 1  -22    6   12 o   94.827   11.212  163.087   36.562  185.521   52.609  142.129   50.849  101.982   14.595   87.672   17.023 14.31010 22.42369 
1 1 1  -22    6   14 o  242.617   11.191  1051.91   95.958  1071.77  136.369  1032.42  135.051  244.898   15.755  240.336   15.899 4.562088 22.38252 
1 1 1  -22    6   16 f   70.756   13.845  102.570   38.290   22.638   71.813  134.321   45.260   56.100   22.901   85.411   15.566 -29.31108 27.69025 
1 1 1  -22    6   18 o  310.988   14.230  1714.55  147.840  1828.63  258.217  1658.92  180.320  317.648   22.999  304.329   16.764 13.31906 28.46070 
1 1 1  -22    6   20 o  354.996   14.784  2248.34  175.140  2360.20  305.376  2193.51  213.796  360.294   23.980  349.697   17.298 10.59723 29.56812 
1 1 1  -22    6   22 o  278.548   16.794  1412.89  165.159  1353.42  235.266  1470.67  231.910  272.534   24.424  284.562   23.058 -12.02786 33.58883 
1 1 1  -22    6   24 o  528.347   17.130  5051.06  301.768  5209.76  524.348  4972.46  369.002  531.850   27.894  524.844   19.892 7.006104 34.26023 
1 1 1  -22    6   26 o  428.417   18.254  3371.68  275.822  3641.99  392.313  3107.46  387.868  445.973   24.889  410.861   26.710 35.11151 36.50837 
1 1 1  -22    6   28 o  321.751   14.501  1852.29  155.444  1958.64  272.250  1800.86  189.340  327.167   23.544  316.336   16.935 10.83072 29.00166 
1 1 1  -22    6   30 o  145.292   16.113  385.545   82.549  402.790  121.851  370.916  112.226  148.177   23.266  142.406   22.297 5.770248 32.22542 
1 1 1  -22    6   32 o  514.086   20.128  4974.68  365.467  5201.36  518.937  4751.60  514.785  526.328   27.896  501.844   29.023 24.48434 40.25526 
1 1 1  -22    6   34 o  229.966   16.237  979.448  131.819  1047.20  190.080  916.675  182.963  237.778   22.618  222.154   23.302 15.62419 32.47349 
1 1 1  -22    6   36 o   70.713   16.334   90.199   45.573   97.721   76.377   86.040   56.791   73.416   24.793   68.011   21.271 5.404839 32.66779 
1 1 1  -22    6   38 o  176.561   16.449  590.178  102.225  659.722  152.704  533.705  137.608  185.923   23.238  167.200   23.286 18.72258 32.89710 
1 1 1  -22    6   40 o  165.535   15.220  530.848   79.621  522.743  148.680  534.107   94.279  161.366   26.069  169.703   15.718 -8.337524 30.44086 
1 1 1  -22    6   42 o  101.829   15.478  181.588   47.280  282.542  100.524  152.912   53.576  115.517   25.320   88.141   17.811 27.37556 30.95645 
1 1 1  -22    7    1 o  175.520   10.585  553.292   65.261  493.612   93.643  609.648   90.999  166.142   15.947  184.899   13.925 -18.75658 21.17070 
1 1 1  -22    7    3 o   91.501   11.307  151.897   35.798  152.979   51.760  150.906   49.564   91.081   16.694   91.920   15.256 -0.8390884 22.61448 
1 1 1  -22    7    5 o  162.930   13.834  461.203   76.690  422.052   94.662  535.977  130.821  153.490   17.449  172.371   21.473 -18.88101 27.66893 
1 1 1  -22    7    7 o  190.025   11.450  645.590   76.892  647.677  109.510  643.561  107.990  190.315   16.280  189.734   16.103 0.5817566 22.89906 
1 1 1  -22    7    9 f  481.864   13.544  4171.01  230.659  4142.45  326.590  4199.44  325.814  480.182   19.243  483.547   19.064 -3.365021 27.08747 
1 1 1  -22    7   11 o  115.353   13.976  233.082   51.150  269.960   95.177  218.105   60.654  120.216   23.241  110.490   15.532 9.726059 27.95284 
1 1 1  -22    7   13 o  205.655   14.555  778.691   97.354  717.636  172.168  807.390  118.038  198.775   24.506  212.536   15.713 -13.76094 29.11090 
1 1 1  -22    7   15 o  452.250   16.658  3740.01  248.754  3620.21  433.446  3798.85  303.755  444.654   27.580  459.845   18.689 -15.19110 33.31575 
1 1 1  -22    7   17 o  234.180   13.305  956.403  103.997  1075.58  184.052  900.505  126.048  244.005   21.341  224.354   15.896 19.65077 26.61072 
1 1 1  -22    7   19 o  103.667   14.831  189.858   48.755  218.059   92.267  178.933   57.428  107.376   24.811   99.958   16.255 7.417183 29.66118 
1 1 1  -22    7   21 o  477.155   19.743  4192.40  332.425  3942.34  471.460  4439.63  468.792  462.357   28.850  491.953   26.961 -29.59665 39.48699 
1 1 1  -22    7   23 o  426.803   15.871  3287.79  225.249  3365.55  392.901  3249.72  274.913  428.634   25.934  424.971   18.303 3.662415 31.74248 
1 1 1  -22    7   25 o  245.874   14.610  1108.38  117.331  1057.96  207.794  1131.98  142.163  240.527   24.443  251.221   16.011 -10.69408 29.21960 
1 1 1  -22    7   27 o  326.279   17.922  1966.14  205.553  1756.85  292.881  2169.30  288.558  308.298   26.878  344.259   23.715 -35.96066 35.84480 
1 1 1  -22    7   29 o  239.791   16.292  1052.49  138.003  1098.85  198.838  1009.41  191.690  244.905   22.971  234.676   23.111 10.22836 32.58475 
1 1 1  -22    7   31 o   95.110   15.729  159.552   52.353  253.393   84.743  101.630   66.578  116.000   21.460   74.219   23.002 41.78097 31.45803 
1 1 1  -22    7   33 o  259.774   16.804  1253.03  154.173  1281.93  223.137  1226.62  213.265  262.483   24.052  257.065   23.472 5.418274 33.60722 
1 1 1  -22    7   35 o   89.033   18.072  154.031   58.674  150.545   96.660  156.066   73.833   88.356   27.770   89.709   23.135 -1.352783 36.14458 
1 1 1  -22    7   37 o  193.666   15.756  730.007   95.758  655.797  176.667  760.879  113.949  183.361   27.260  203.971   15.806 -20.61049 31.51107 
1 1 1  -22    7   39 o   59.674   15.228   46.988   29.879   93.163   84.153   40.328   31.961   71.580   25.891   47.767   16.039 23.81273 30.45633 
1 1 1  -22    7   41 o  192.069   17.527  781.846  100.329  672.370  184.793  827.605  119.471  174.335   31.133  209.803   16.111 -35.46809 35.05442 
1 1 1  -22    8    2 o  325.656   12.065  1906.88  138.177  1695.76  195.840  2116.16  194.987  307.384   18.026  343.928   16.040 -36.54398 24.12956 
1 1 1  -22    8    4 o  191.673   10.423  659.031   70.227  589.491  100.348  725.783   98.316  181.594   15.635  201.752   13.787 -20.15807 20.84550 
1 1 1  -22    8    6 o  287.049   14.270  1465.78  136.095  1537.42  239.395  1431.56  165.428  291.289   23.253  282.810   16.550 8.479218 28.54082 
1 1 1  -22    8    8 o  238.478   14.873  1047.30  115.005  969.380  204.693  1083.25  139.022  230.839   25.088  246.118   15.982 -15.27930 29.74627 
1 1 1  -22    8   10 o   55.548   14.659   43.954   36.369   26.110   69.994   50.553   42.566   56.234   22.736   54.862   18.509 1.372890 29.31779 
1 1 1  -22    8   12 o  206.885   14.867  792.878   99.050  719.935  177.399  825.918  119.393  198.846   25.241  214.925   15.717 -16.07867 29.73477 
1 1 1  -22    8   14 o  214.435   15.911  822.583  120.588   0.0000   0.0000  822.583  120.588  ?   ?   214.435   15.911      ?      ? 
1 1 1  -22    8   16 o  281.531   14.879  1453.35  137.236  1370.69  241.016  1493.01  166.943  274.316   24.858  288.746   16.358 -14.42963 29.75784 
1 1 1  -22    8   18 o  215.734   13.714  816.550   97.672  899.602  175.854  779.500  117.454  222.796   22.332  208.671   15.925 14.12491 27.42854 
1 1 1  -22    8   20 o  156.967   22.161  446.697  122.945   0.0000   0.0000  446.697  122.945  ?   ?   156.967   22.161      ?      ? 
1 1 1  -22    8   22 o  304.783   15.724  1743.69  154.815  1533.46  272.867  1843.49  188.004  288.989   26.715  320.577   16.593 -31.58725 31.44819 
1 1 1  -22    8   24 f  513.685   17.711  4870.74  300.251  4728.35  523.390  4940.59  366.566  504.642   29.344  522.727   19.841 -18.08493 35.42221 
1 1 1  -22    8   26 o  397.771   18.382  2916.55  258.370  2911.16  369.206  2921.73  361.691  397.219   26.298  398.323   25.691 -1.103424 36.76414 
1 1 1  -22    8   28 o  186.964   17.830  655.227  115.703  557.743  171.013  737.521  157.126  173.023   27.965  200.905   22.128 -27.88222 35.66019 
1 1 1  -22    8   30 o  181.705   17.408  615.055  110.599  575.345  165.408  647.165  148.738  175.666   26.641  187.743   22.415 -12.07741 34.81620 
1 1 1  -22    8   32 o   91.650   18.399  165.342   62.301  133.027  101.995  184.575   78.687   85.272   28.652   98.029   23.091 -12.75720 36.79849 
1 1 1  -22    8   34 o  161.404   13.546  436.153   69.895  582.431  137.998  385.681   81.061  176.995   22.059  145.814   15.729 31.18112 27.09263 
1 1 1  -22    8   36 o  316.999   14.627  1822.76  153.560  2039.46  274.834  1724.40  185.158  327.568   23.738  306.430   17.096 21.13892 29.25362 
1 1 1  -22    8   38 o  330.306   15.358  2056.17  167.156  2184.09  297.602  1997.22  202.036  333.175   25.272  327.438   17.457 5.737549 30.71552 
1 1 1  -22    8   40 o  261.295   15.931  1359.42  133.664  1315.07  241.194  1379.08  160.576  252.025   27.077  270.566   16.791 -18.54184 31.86105 
1 1 1  -22    9    1 o  180.668   13.042  520.659   75.549  752.761  150.090  441.895   87.433  204.181   20.798  157.155   15.741 47.02599 26.08299 
1 1 1  -22    9    3 o   63.309   13.679   64.419   29.256   90.358   61.738   56.908   33.223   70.863   22.181   55.755   16.014 15.10802 27.35784 
1 1 1  -22    9    5 f  320.401   15.872  1925.84  164.938  1677.37  287.939  2047.19  201.223  302.780   26.906  338.023   16.843 -35.24368 31.74308 
1 1 1  -22    9    7 o  205.958   15.348  798.247  100.959  688.628  180.501  848.154  121.791  194.162   26.302  217.753   15.824 -23.59109 30.69577 
1 1 1  -22    9    9 o   93.879   15.683  165.087   47.357  151.467   92.742  169.891   55.080   90.315   26.982   97.443   15.993 -7.128120 31.36546 
1 1 1  -22    9   11 f   67.464   14.427   91.396   38.460  -0.0001   84.554  115.238   43.186   56.059   23.986   78.868   16.039 -22.80825 28.85468 
1 1 1  -22    9   13 o  457.589   16.280  3763.14  247.938  3903.04  433.170  3694.97  302.368  461.926   26.532  453.253   18.874 8.673187 32.56038 
1 1 1  -22    9   15 o  415.316   15.483  3068.73  214.812  3288.58  375.436  2961.73  261.923  424.676   25.013  405.956   18.255 18.72034 30.96549 
1 1 1  -22    9   17 o  229.479   14.307  945.088  107.451  964.850  193.095  936.223  129.324  230.309   23.721  228.648   16.003 1.661469 28.61440 
1 1 1  -22    9   19 o  104.626   15.795  196.031   58.411   0.0000   0.0000  196.031   58.411  ?   ?   104.626   15.795      ?      ? 
1 1 1  -22    9   21 f  284.142   16.384  1466.31  164.178  1608.97  237.484  1335.71  227.221  297.560   22.581  270.724   23.747 26.83691 32.76886 
1 1 1  -22    9   23 o  457.428   27.441  3865.21  443.660  3865.21  443.660   0.0000   0.0000  457.428   27.441  ?   ?       ?      ? 
1 1 1  -22    9   25 o  101.885   18.961  200.441   68.145  184.514  111.071  210.055   86.294   98.605   29.544  105.166   23.774 -6.561317 37.92185 
1 1 1  -22    9   27 o  497.384   28.167  4613.90  495.174   0.0000   0.0000  4613.90  495.174  ?   ?   497.384   28.167      ?      ? 
1 1 1  -22    9   29 o  151.063   17.419  448.945   77.367  386.446  149.938  471.623   90.320  140.324   31.053  161.803   15.793 -21.47874 34.83870 
1 1 1  -22    9   31 o  265.236   14.100  1240.05  122.918  1418.87  224.611  1163.60  146.861  276.901   22.950  253.571   16.386 23.32983 28.19976 
1 1 1  -22    9   33 f  292.763   16.824  1559.95  174.091   0.0000   0.0000  1559.95  174.091  ?   ?   292.763   16.824      ?      ? 
1 1 1  -22    9   35 o  493.836   17.021  4546.92  279.615  4908.77  491.476  4373.74  340.004  502.493   27.673  485.180   19.827 17.31332 34.04261 
1 1 1  -22    9   37 o  112.464   17.753  268.881   60.913  213.867  126.543  285.473   69.493  100.462   31.799  124.466   15.797 -24.00430 35.50661 
1 1 1  -22    9   39 o  197.013   15.157  738.987   95.089  799.323  179.695  715.521  112.064  198.515   25.611  195.510   16.217 3.005356 30.31356 
1 1 1  -22   10    2 o  213.292   14.853  813.119  111.970   0.0000   0.0000  813.119  111.970  ?   ?   213.292   14.853      ?      ? 
1 1 1  -22   10    4 o   92.493   16.345  119.914   43.535  246.557  106.016   94.225   47.747  113.877   26.788   71.110   18.735 42.76678 32.68967 
1 1 1  -22   10    6 o  144.176   18.110  418.380   74.902  326.425  150.502  448.655   86.356  129.969   32.770  158.383   15.426 -28.41335 36.21972 
1 1 1  -22   10    8 o   63.805   16.869   52.605   42.163   69.981   98.314   48.689   46.673   72.451   27.634   55.159   19.353 17.29264 33.73738 
1 1 1  -22   10   10 o  285.095   14.050  1400.69  132.173  1646.69  241.293  1295.23  157.983  301.347   22.655  268.843   16.626 32.50467 28.10089 
1 1 1  -22   10   12 o  113.629   16.527  260.206   58.707  189.680  109.813  288.429   69.468  100.282   29.205  126.975   15.479 -26.69353 33.05360 
1 1 1  -22   10   14 o  201.366   15.714  779.233   99.829  628.562  178.202  848.144  120.515  185.046   27.247  217.685   15.664 -32.63889 31.42810 
1 1 1  -22   10   16 o  510.394   17.728  4799.79  298.409  4631.75  520.231  4882.20  364.301  500.578   29.404  520.210   19.814 -19.63193 35.45649 
1 1 1  -22   10   18 o   64.188   20.668   72.813   53.281   0.0000   0.0000   72.813   53.281  ?   ?    64.188   20.668      ?      ? 
1 1 1  -22   10   20 o   49.981   21.887 -14.1747   73.760 -14.1747   73.760   0.0000   0.0000   49.981   21.887  ?   ?       ?      ? 
1 1 1  -22   10   22 o  516.538   19.802  4943.58  360.896  5311.67  514.038  4585.77  506.807  536.243   27.121  496.834   28.861 39.40872 39.60467 
1 1 1  -22   10   24 o  315.835   16.854  1826.20  187.666  2007.91  270.182  1656.82  260.863  331.356   23.070  300.315   24.576 31.04117 33.70764 
1 1 1  -22   10   26 o  269.991   13.288  1223.86  119.031  1609.58  218.510  1061.11  141.940  297.281   20.796  242.699   16.547 54.58191 26.57589 
1 1 1  -22   10   28 o  131.322   16.746  295.733   73.425  461.232  125.069  208.696   90.700  158.470   22.330  104.173   24.961 54.29670 33.49116 
1 1 1  -22   10   30 o  321.517   16.493  1968.66  170.179  1778.52  304.569  2054.97  205.200  306.513   28.114  336.521   17.252 -30.00772 32.98508 
1 1 1  -22   10   32 o   93.809   17.348  189.234   54.666   90.183  124.191  213.038   60.882   79.260   30.840  108.359   15.897 -29.09821 34.69598 
1 1 1  -22   10   34 o  219.522   17.690  922.320  136.106  905.734  204.550  935.498  182.328  216.588   26.721  222.456   23.189 -5.868164 35.37991 
1 1 1  -22   10   36 o  268.566   18.371  1425.06  173.152  1343.63  254.618  1495.12  236.170  259.453   27.766  277.679   24.064 -18.22614 36.74229 
1 1 1  -22   10   38 o  276.206   15.436  1468.54  137.915  1540.74  252.079  1437.70  164.762  275.687   25.870  276.725   16.846 -1.038361 30.87146 
1 1 1  -22   11    1 o  298.154   15.620  1591.67  164.600   0.0000   0.0000  1591.67  164.600  ?   ?   298.154   15.620      ?      ? 
1 1 1  -22   11    3 o  355.047   16.015  2385.95  183.187  2031.65  321.147  2556.82  223.029  332.520   27.325  377.573   16.712 -45.05307 32.03093 
1 1 1  -22   11    5 o   94.789   17.694  153.544   51.552  199.077  113.570  141.728   57.856  102.524   29.655   87.054   19.309 15.46954 35.38752 
1 1 1  -22   11    7 o  243.220   13.794  1052.01  109.184  1103.43  199.520  1030.03  130.450  246.503   22.900  239.937   15.382 6.566528 27.58708 
1 1 1  -22   11    9 o  243.090   15.564  1057.61  133.728   0.0000   0.0000  1057.61  133.728  ?   ?   243.090   15.564      ?      ? 
1 1 1  -22   11   11 o  286.522   14.221  1430.98  132.311  1612.23  246.644  1357.75  156.779  297.746   23.437  275.297   16.113 22.44888 28.44143 
1 1 1  -22   11   13 o  315.420   17.605  1814.76  196.122  1862.05  284.088  1771.71  271.086  319.226   25.179  311.613   24.613 7.613007 35.21064 
1 1 1  -22   11   15 o  245.371   16.515  1084.57  142.501  1222.49  214.569  975.729  190.605  259.166   23.424  231.576   23.287 27.59048 33.03038 
1 1 1  -22   11   17 o  336.334   16.760  2044.26  197.840  2414.66  293.714  1736.62  267.672  364.365   22.807  308.303   24.564 56.06131 33.51964 
1 1 1  -22   11   19 o  398.833   26.880  2932.74  378.909  2932.74  378.909   0.0000   0.0000  398.833   26.880  ?   ?       ?      ? 
1 1 1  -22   11   21 o  188.681   17.686  713.560   98.803  546.341  180.891  784.659  117.952  168.322   31.565  209.040   15.964 -40.71794 35.37276 
1 1 1  -22   11   23 o  213.177   14.024  803.499   98.084  880.920  178.336  769.923  117.442  219.409   22.997  206.945   16.056 12.46330 28.04736 
1 1 1  -22   11   25 o  107.303   16.341  183.440   50.634  289.925  115.231  157.960   56.367  122.631   27.289   91.976   17.984 30.65515 32.68187 
1 1 1  -22   11   27 o  100.007   17.464  173.506   49.796  220.431  120.134  163.771   54.718  106.228   30.435   93.786   17.139 12.44149 34.92872 
1 1 1  -22   11   29 o  254.397   16.687  1191.45  149.355  1350.52  223.115  1062.31  201.044  269.748   23.402  239.046   23.795 30.70207 33.37458 
1 1 1  -22   11   31 o  229.488   16.268  1000.23  117.273  942.472  219.623  1023.27  138.702  221.798   28.016  237.177   16.546 -15.37895 32.53672 
1 1 1  -22   11   33 o   46.457   14.401   17.588   25.797 -84.3509  114.666   23.022   26.476   53.451   24.896   39.463   14.484 13.98787 28.80262 
1 1 1  -22   11   35 f  253.090   17.928  1254.39  159.385  1249.26  237.979  1258.57  214.634  251.168   26.807  255.012   23.813 -3.843414 35.85674 
1 1 1  -22   11   37 o  174.004   20.650  710.518   98.569  492.018  196.553  783.932  113.931  142.834   38.194  205.174   15.711 -62.34048 41.29911 
1 1 1  -22   12    2 o   76.872   22.234  109.748   63.842   0.0000   0.0000  109.748   63.842  ?   ?    76.872   22.234      ?      ? 
1 1 1  -22   12    4 o  184.753   16.156  611.906  105.496   0.0000   0.0000  611.906  105.496  ?   ?   184.753   16.156      ?      ? 
1 1 1  -22   12    6 o  153.875   17.326  425.309   94.229   0.0000   0.0000  425.309   94.229  ?   ?   153.875   17.326      ?      ? 
1 1 1  -22   12    8 f  155.501   25.542  442.567  140.380   0.0000   0.0000  442.567  140.380  ?   ?   155.501   25.542      ?      ? 
1 1 1  -22   12   10 o  188.281   17.859  644.567  118.308  736.337  174.174  565.955  161.204  200.829   24.538  175.733   25.954 25.09540 35.71708 
1 1 1  -22   12   12 o  262.699   18.116  1281.01  165.049  1019.29  235.680  1532.91  231.212  234.952   28.381  290.447   22.523 -55.49451 36.23187 
1 1 1  -22   12   14 f  247.909   17.613  1126.37  153.710  1099.95  225.998  1149.12  209.675  244.777   26.122  251.042   23.631 -6.264877 35.22504 
1 1 1  -22   12   16 o  395.504   18.978  2886.78  264.777  2825.03  383.814  2942.85  365.743  390.879   27.782  400.129   25.862 -9.250549 37.95581 
1 1 1  -22   12   18 o  387.609   25.395  2761.94  347.909   0.0000   0.0000  2761.94  347.909  ?   ?   387.609   25.395      ?      ? 
1 1 1  -22   12   20 o  200.567   16.020  709.557   96.820  784.514  201.833  687.152  110.345  205.569   27.779  195.564   15.964 10.00464 32.03922 
1 1 1  -22   12   22 o  325.922   15.207  1911.04  160.503  2004.90  295.421  1871.73  191.181  329.538   25.364  322.306   16.782 7.232422 30.41342 
1 1 1  -22   12   24 o  134.332   18.624  271.760   65.090  463.440  173.676  240.438   70.207  153.298   33.029  115.366   17.218 37.93250 37.24704 
1 1 1  -22   12   26 o  238.084   17.446  1092.57  126.085  968.009  244.401  1137.74  147.184  225.316   30.690  250.852   16.601 -25.53572 34.89161 
1 1 1  -22   12   28 o   69.896   17.087   94.071   47.930 -163.7220  165.391  117.706   50.079   60.929   28.851   78.862   18.317 -17.93345 34.17456 
1 1 1  -22   12   30 o  171.883   16.438  464.948   78.186  711.547  195.301  417.883   85.321  192.094   28.765  151.672   15.916 40.42154 32.87506 
1 1 1  -22   12   32 o   83.020   17.112  130.070   44.328  125.612  110.144  130.932   48.422   82.958   29.667   83.081   17.061 -0.1225433 34.22321 
1 1 1  -22   12   34 o  191.549   14.909  653.986   89.550  797.925  178.872  605.843  103.448  201.936   25.062  181.162   16.156 20.77412 29.81787 
1 1 1  -22   12   36 o  346.281   17.004  2407.66  188.930  2314.51  340.285  2449.17  227.159  332.651   28.942  359.912   17.857 -27.26147 34.00795 
1 1 1  -22   13    1 o  241.486   17.143  1070.07  145.596  1047.59  215.440  1088.97  197.531  238.681   25.538  244.291   22.877 -5.609802 34.28659 
1 1 1  -22   13   13 o   84.805   20.328  135.384   60.137   0.0000   0.0000  135.384   60.137  ?   ?    84.805   20.328      ?      ? 
1 1 1  -22   13   15 o  196.108   14.672  688.882  101.694   0.0000   0.0000  688.882  101.694  ?   ?   196.108   14.672      ?      ? 
1 1 1  -22   13   17 o  164.334   15.319  484.580   88.976   0.0000   0.0000  484.580   88.976  ?   ?   164.334   15.319      ?      ? 
1 1 1  -22   13   19 o  213.298   17.502  896.542  112.096  717.066  214.413  964.049  131.498  195.074   31.098  231.523   16.070 -36.44980 35.00450 
1 1 1  -22   13   21 f  180.243   19.758  692.384   98.008  475.646  194.630  766.012  113.440  154.098   36.328  206.387   15.551 -52.28952 39.51629 
1 1 1  -22   13   23 o  166.406   19.917  573.201   93.116  443.705  188.639  614.919  107.070  148.232   36.296  184.580   16.412 -36.34772 39.83414 
1 1 1  -22   13   25 o  135.736   18.783  330.449   68.187  387.112  165.426  318.852   74.840  138.620   34.018  132.852   15.939 5.768707 37.56696 
1 1 1  -22   13   27 o  113.081   16.958  124.430   44.774  481.551  151.226   90.117   46.876  157.099   28.275   69.062   18.730 88.03732 33.91614 
1 1 1  -22   13   29 o  372.563   16.432  2593.47  198.598  2633.10  360.063  2576.15  238.089  370.218   27.517  374.907   17.968 -4.688995 32.86375 
1 1 1  -22   13   31 o  117.320   20.436  258.267   64.549  299.176  173.678  251.710   69.529  117.579   37.257  117.062   16.805 0.5174179 40.87190 
1 1 1  -22   13   33 o   43.302   14.328   1.1347   19.938 -15.7728  109.245   1.7173   20.278   58.514   26.081   28.091   11.872 30.42332 28.65571 
1 1 1  -22   13   35 o  166.363   20.236  618.580   93.308  506.882  191.718  653.251  106.812  145.857   37.102  186.870   16.172 -41.01360 40.47299 
1 1 1  -22   14    2 f  167.489   20.902  543.223  117.168  760.372  168.515  339.998  163.023  203.772   23.398  131.207   34.643 72.56499 41.80400 
1 1 1  -22   14    4 o  430.995   19.440  3447.62  295.632  3243.68  419.487  3648.86  416.701  417.626   28.419  444.365   26.532 -26.73862 38.87900 
1 1 1  -22   14    6 f  267.543   25.213  1316.56  238.421  1316.56  238.421   0.0000   0.0000  267.543   25.213  ?   ?       ?      ? 
1 1 1  -22   14    8 o  244.924   17.300  1103.95  148.785  1068.79  221.160  1133.03  201.096  240.770   25.989  249.079   22.843 -8.308624 34.60053 
1 1 1  -22   14   10 o  107.799   23.325  220.152   86.288   0.0000   0.0000  220.152   86.288  ?   ?   107.799   23.325      ?      ? 
1 1 1  -22   14   12 o  165.363   22.163  498.797  129.532   0.0000   0.0000  498.797  129.532  ?   ?   165.363   22.163      ?      ? 
1 1 1  -22   14   14 f  167.603   22.192  512.820  131.459   0.0000   0.0000  512.820  131.459  ?   ?   167.603   22.192      ?      ? 
1 1 1  -22   14   16 o  232.070   22.787  986.065  186.906   0.0000   0.0000  986.065  186.906  ?   ?   232.070   22.787      ?      ? 
1 1 1  -22   14   18 o  141.381   22.175  365.874  110.809   0.0000   0.0000  365.874  110.809  ?   ?   141.381   22.175      ?      ? 
1 1 1  -22   14   20 o   53.941   19.160   46.314   45.865   0.0000   0.0000   46.314   45.865  ?   ?    53.941   19.160      ?      ? 
1 1 1  -22   14   22 o  162.355   17.124  477.361   98.262   0.0000   0.0000  477.361   98.262  ?   ?   162.355   17.124      ?      ? 
1 1 1  -22   14   24 o   74.393   19.485  104.915   51.845   0.0000   0.0000  104.915   51.845  ?   ?    74.393   19.485      ?      ? 
1 1 1  -22   14   26 o  121.367   16.089  267.376   69.017   0.0000   0.0000  267.376   69.017  ?   ?   121.367   16.089      ?      ? 
1 1 1  -22   14   28 o  222.177   15.777  896.650  109.522  989.095  215.394  864.415  127.192  226.793   26.871  217.561   16.541 9.232101 31.55393 
1 1 1  -22   14   30 o  213.417   16.960  842.558  125.488  1106.27  198.569  667.205  161.919  240.689   23.342  186.146   24.611 54.54312 33.91953 
1 1 1  -22   14   32 o  105.518   19.343  207.562   58.701  271.060  144.466  195.005   64.243  110.584   33.819  100.451   18.785 10.13291 38.68595 
1 1 1  -22   14   34 o  100.635   20.650  238.711   89.599   71.028  150.419  330.929  111.549   75.459   32.132  125.811   25.947 -50.35149 41.30069 
1 1 1  -22   15    1 o  212.851   18.475  840.779  137.939  714.724  191.720  976.060  198.613  195.668   27.722  230.035   24.428 -34.36676 36.94942 
1 1 1  -22   15    3 o  398.839   18.905  2955.34  266.194  2788.15  375.034  3125.09  377.892  386.965   27.421  410.714   26.032 -23.74844 37.80957 
1 1 1  -22   15    5 o  357.292   14.408  2358.21  168.339  2219.79  296.148  2424.28  204.609  347.394   24.119  367.190   15.766 -19.79617 28.81503 
1 1 1  -22   15    7 o  261.544   16.604  1290.63  139.418  1164.04  249.724  1347.95  168.045  249.777   28.287  273.312   17.396 -23.53526 33.20810 
1 1 1  -22   15    9 o  148.285   14.904  362.583   71.315  498.565  139.098  314.093   83.062  164.710   23.894  131.861   17.822 32.84892 29.80845 
1 1 1  -22   15   11 o  245.623   18.285  1091.38  158.738   0.0000   0.0000  1091.38  158.738  ?   ?   245.623   18.285      ?      ? 
1 1 1  -22   15   13 o   82.852   18.265  103.396   51.190  185.456  110.989   81.223   57.693   98.494   29.538   67.210   21.492 31.28414 36.52967 
1 1 1  -22   15   15 f  113.899   19.289  238.931   72.274  286.499  130.349  217.815   86.847  120.925   30.502  106.873   23.620 14.05151 38.57787 
1 1 1  -22   15   17 o  336.086   24.518  2090.72  291.242   0.0000   0.0000  2090.72  291.242  ?   ?   336.086   24.518      ?      ? 
1 1 1  -22   15   19 o  225.581   22.833  938.814  182.051   0.0000   0.0000  938.814  182.051  ?   ?   225.581   22.833      ?      ? 
1 1 1  -22   15   21 o  362.938   25.190  2462.30  323.139   0.0000   0.0000  2462.30  323.139  ?   ?   362.938   25.190      ?      ? 
1 1 1  -22   15   23 o  184.812   22.557  634.386  147.347   0.0000   0.0000  634.386  147.347  ?   ?   184.812   22.557      ?      ? 
1 1 1  -22   15   25 o  186.147   22.639  647.891  148.948   0.0000   0.0000  647.891  148.948  ?   ?   186.147   22.639      ?      ? 
1 1 1  -22   15   27 o  279.213   23.990  1482.57  236.750   0.0000   0.0000  1482.57  236.750  ?   ?   279.213   23.990      ?      ? 
1 1 1  -22   15   29 o  186.205   22.989  664.596  151.297   0.0000   0.0000  664.596  151.297  ?   ?   186.205   22.989      ?      ? 
1 1 1  -22   15   33 o  179.139   16.826  606.212  106.536   0.0000   0.0000  606.212  106.536  ?   ?   179.139   16.826      ?      ? 
1 1 1  -22   16    2 o  279.228   15.033  1402.42  140.615  1512.32  244.471  1348.08  171.895  285.781   24.203  272.675   17.836 13.10593 30.06523 
1 1 1  -22   16    4 o  264.057   15.297  1323.45  129.903  1158.03  229.929  1401.01  157.437  249.355   26.089  278.760   15.979 -29.40436 30.59357 
1 1 1  -22   16    6 o  155.874   15.469  408.762   79.755  554.380  147.811  348.954   94.728  173.231   24.141  138.517   19.349 34.71426 30.93832 
1 1 1  -22   16    8 o  113.267   18.382  258.228   66.350  202.315  130.589  277.684   77.033  102.662   32.280  123.873   17.595 -21.21042 36.76388 
1 1 1  -22   16   10 o  179.683   20.123  666.006  108.156  496.222  195.054  741.385  129.965  157.150   35.903  202.216   18.184 -45.06554 40.24538 
1 1 1  -22   16   12 o   87.711   18.867  155.806   64.910   55.572  129.053  189.752   75.102   75.513   30.748   99.910   21.874 -24.39684 37.73473 
1 1 1  -22   16   14 o  280.970   15.833  1510.56  140.661  1313.74  255.316  1596.34  168.546  264.559   27.305  297.382   16.036 -32.82297 31.66513 
1 1 1  -22   16   16 o  300.409   16.728  1662.11  176.982  1864.67  261.395  1490.65  240.492  317.414   23.300  283.405   24.009 34.00827 33.45599 
1 1 1  -22   16   18 o  141.481   15.181  278.839   63.480  593.748  144.827  203.950   70.626  179.012   22.890  103.950   19.949 75.06228 30.36281 
1 1 1  -22   16   20 o  110.025   19.919  235.286   73.824  245.937  132.423  230.483   88.925  110.761   32.018  109.289   23.703 1.472008 39.83717 
1 1 1  -22   16   22 o   72.740   18.614   90.593   55.207   41.021  127.766  101.973   61.217   72.084   30.091   73.396   21.920 -1.312271 37.22851 
1 1 1  -22   16   24 o  168.131   18.084  530.584  104.242  581.485  172.209  501.147  130.961  173.032   28.158  163.229   22.700 9.802719 36.16880 
1 1 1  -22   16   26 o  185.667   22.877  655.773  150.125   0.0000   0.0000  655.773  150.125  ?   ?   185.667   22.877      ?      ? 
1 1 1  -22   16   28 o  356.644   26.026  2516.92  328.070   0.0000   0.0000  2516.92  328.070  ?   ?   356.644   26.026      ?      ? 
1 1 1  -22   16   30 o   67.842   21.286   90.077   56.819   0.0000   0.0000   90.077   56.819  ?   ?    67.842   21.286      ?      ? 
1 1 1  -22   16   32 o  118.564   24.397  293.343   98.829   0.0000   0.0000  293.343   98.829  ?   ?   118.564   24.397      ?      ? 
1 1 1  -22   17    1 o  197.907   15.971  754.906  102.927  639.959  176.082  814.568  126.857  183.992   27.077  211.822   16.944 -27.82944 31.94147 
1 1 1  -22   17    3 o  394.917   19.053  2938.63  265.700  2774.60  372.034  3109.40  379.592  383.188   27.469  406.646   26.411 -23.45718 38.10644 
1 1 1  -22   17    5 o  133.921   14.642  301.981   65.679  420.694  118.414  249.233   78.933  150.987   22.189  116.855   19.111 34.13221 29.28487 
1 1 1  -22   17    7 o   77.653   18.103  108.002   51.678   95.013  111.337  111.568   58.343   78.602   29.540   76.704   20.935 1.898270 36.20613 
1 1 1  -22   17    9 o  101.724   20.296  195.660   70.414   0.0000   0.0000  195.660   70.414  ?   ?   101.724   20.296      ?      ? 
1 1 1  -22   17   11 o  119.996   18.182  293.880   67.918  229.555  131.872  317.103   79.236  107.753   32.171  132.240   16.953 -24.48695 36.36406 
1 1 1  -22   17   13 o  274.918   14.963  1419.35  133.151  1316.46  237.014  1466.80  160.950  265.122   25.293  284.714   15.994 -19.59204 29.92614 
1 1 1  -22   17   15 o  259.370   23.370  1252.26  214.242   0.0000   0.0000  1252.26  214.242  ?   ?   259.370   23.370      ?      ? 
1 1 1  -22   17   17 o  185.251   14.826  608.813   89.454  701.086  166.258  571.217  106.124  193.335   24.331  177.168   16.948 16.16658 29.65132 
1 1 1  -22   17   19 o  379.432   15.991  2683.66  200.115  2706.26  351.962  2672.86  243.261  376.850   26.424  382.014   18.017 -5.163269 31.98207 
1 1 1  -22   17   21 o  333.701   18.649  2290.52  192.563  1748.64  342.777  2540.39  232.763  295.424   32.828  371.978   17.704 -76.55411 37.29774 
1 1 1  -22   17   23 o  234.998   17.743  1124.99  127.907  911.714  235.344  1214.40  152.376  212.908   31.275  257.087   16.769 -44.17891 35.48676 
1 1 1  -22   17   25 o  121.224   19.426  332.929   73.827  217.701  152.044  368.477   84.450  101.361   34.966  141.087   16.935 -39.72607 38.85135 
1 1 1  -22   17   27 f  194.446   21.546  819.967  136.984  636.240  208.711  959.005  181.563  167.405   36.318  221.487   23.193 -54.08183 43.09224 
1 1 1  -22   17   29 o  200.058   18.940  824.462  133.395  849.477  198.424  803.833  180.188  201.663   27.839  198.452   25.689 3.211777 37.88042 
1 1 1  -22   18    2 o  122.934   23.449  293.000  101.740  238.273  127.288  389.815  169.300  108.709   31.381  137.160   34.852 -28.45103 46.89800 
1 1 1  -22   18    4 o  300.943   13.631  1654.73  137.906  1692.81  235.030  1634.74  170.304  301.821   22.032  300.065   16.058 1.755157 27.26291 
1 1 1  -22   18    6 o  342.149   16.468  2228.67  185.189  2054.58  319.565  2316.69  227.235  328.232   27.546  356.066   18.056 -27.83322 32.93637 
1 1 1  -22   18    8 o   53.142   13.747   39.345   38.344 -89.4272   83.227   74.044   43.202   43.339   20.506   62.945   18.315 -19.60561 27.49380 
1 1 1  -22   18   10 o  235.665   12.817  952.184  101.470  1225.15  180.668  826.403  122.641  258.030   19.810  213.300   16.268 44.72960 25.63363 
1 1 1  -22   18   12 o   34.008   14.235   4.2409   28.701   0.0000   0.0000   4.2409   28.701  ?   ?    34.008   14.235      ?      ? 
1 1 1  -22   18   14 o  129.163   17.689  305.220   80.755   0.0000   0.0000  305.220   80.755  ?   ?   129.163   17.689      ?      ? 
1 1 1  -22   18   16 o  202.799   13.935  731.127   93.004  843.349  169.678  682.931  111.196  212.050   22.639  193.547   16.255 18.50291 27.87048 
1 1 1  -22   18   18 o  153.349   21.814  475.499  113.868  436.325  154.261  522.396  168.785  146.307   30.805  160.392   30.894 -14.08549 43.62801 
1 1 1  -22   18   20 o  173.493   21.423  705.028  109.605  394.686  196.097  846.031  132.180  132.835   39.125  214.151   17.463 -81.31589 42.84581 
1 1 1  -22   18   22 o  244.292   15.786  1181.29  123.353  1027.62  218.049  1253.61  149.591  227.821   27.080  260.763   16.231 -32.94226 31.57117 
1 1 1  -22   18   24 o   67.397   18.046   62.241   65.182 -20.9537   98.066  128.086   87.243   54.678   24.515   80.116   26.489 -25.43863 36.09237 
1 1 1  -22   18   26 o   85.005   19.700  148.286   74.516   61.821  111.002  219.214  100.535   68.679   28.303  101.332   27.409 -32.65241 39.39955 
1 1 1  -22   18   28 o  249.237   13.524  1186.27  109.372  1239.93  198.925  1163.03  130.939  248.948   22.608  249.527   14.847 -0.5791626 27.04715 
1 1 1  -22   19    1 o   90.297   15.738  142.839   48.164  223.780   85.199  104.823   58.389  106.839   23.225   73.756   21.243 33.08295 31.47500 
1 1 1  -22   19    3 o   94.726   20.621  186.164   82.729  251.925  102.996   66.595  138.881  112.372   26.383   77.081   31.700 35.29157 41.24257 
1 1 1  -22   19    5 o  140.363   16.550  381.681   75.502  362.213  127.370  392.229   93.749  134.791   27.662  145.936   18.175 -11.14439 33.09918 
1 1 1  -22   19    7 o  349.373   14.284  2201.24  168.727  2500.62  290.521  2048.86  207.264  364.674   22.540  334.072   17.553 30.60178 28.56875 
1 1 1  -22   19    9 o  102.815   19.774  201.751   69.247   0.0000   0.0000  201.751   69.247  ?   ?   102.815   19.774      ?      ? 
1 1 1  -22   19   11 o  246.425   15.044  1172.21  120.801  1029.10  208.425  1244.61  148.239  231.796   25.440  261.054   16.066 -29.25827 30.08871 
1 1 1  -22   19   13 o  174.783   18.113  563.771  111.895   0.0000   0.0000  563.771  111.895  ?   ?   174.783   18.113      ?      ? 
1 1 1  -22   19   15 o  230.530   16.298  1042.22  122.906  910.584  209.623  1111.17  151.720  215.622   27.506  245.438   17.490 -29.81682 32.59549 
1 1 1  -22   19   17 o   91.887   21.229  171.123   83.098  223.684  110.068  101.457  126.718  104.100   28.894   79.675   31.110 24.42522 42.45834 
1 1 1  -22   19   19 o  143.052   21.041  421.519  104.981  332.094  144.362  521.888  152.940  123.924   32.542  162.181   26.681 -38.25733 42.08173 
1 1 1  -22   19   21 o  110.507   22.262  266.219   91.026  260.336  124.687  272.933  133.193  109.554   30.876  111.459   32.079 -1.905594 44.52407 
1 1 1  -22   19   23 o   80.177   20.674  126.674   77.053  152.778  106.062   97.499  112.129   85.449   29.215   74.905   29.260 10.54401 41.34825 
1 1 1  -22   19   25 o  132.611   15.954  325.723   65.970  426.002  128.444  289.792   76.886  141.889   26.589  123.332   17.638 18.55640 31.90749 
1 1 1  -22   20    2 o   88.585   16.170  153.619   50.035  171.929   80.385  142.038   63.929   92.359   24.298   84.811   21.344 7.548912 32.34070 
1 1 1  -22   20    4 o  112.841   20.976  215.625   81.220  133.701   95.354  432.163  155.024   82.573   27.704  143.109   31.502 -60.53561 41.95108 
1 1 1  -22   20    6 o   61.718   15.584   64.584   40.713   63.256   74.238   65.155   48.687   63.671   24.079   59.765   19.789 3.905663 31.16714 
1 1 1  -22   20    8 f  203.187   14.563  778.949  100.078  778.683  166.934  779.098  125.040  201.231   23.471  205.144   17.245 -3.912415 29.12532 
1 1 1  -22   20   10 o   81.142   15.726  142.756   53.611   14.936   94.883  202.699   64.977   59.356   25.403  102.929   18.543 -43.57262 31.45116 
1 1 1  -22   20   12 o   80.932   19.716   64.270   60.225   17.888   66.970  260.366  137.702   51.997   21.753  109.867   32.891 -57.87001 39.43295 
1 1 1  -22   20   14 o  187.144   24.312  683.949  160.814  683.949  160.814   0.0000   0.0000  187.144   24.312  ?   ?       ?      ? 
1 1 1  -22   20   16 o   66.065   18.796   46.321   62.658   21.480   74.774  104.892  114.817   54.636   22.929   77.494   29.791 -22.85786 37.59273 
1 1 1  -22   20   18 o   74.094   15.800  115.703   49.259   33.007   86.507  155.382   59.923   59.397   24.775   88.791   19.617 -29.39392 31.60083 
1 1 1  -22   20   20 o  128.232   14.604  330.004   60.233  295.951  101.293  348.632   74.918  119.719   24.756  136.744   15.501 -17.02516 29.20842 
1 1 1  -22   20   22 o  108.390   17.183  253.015   62.154  210.962  109.288  273.119   75.565   97.227   29.345  119.552   17.883 -22.32507 34.36506 
1 1 1  -22   21    1 o   59.752   17.775   38.967   48.255   41.554   51.787   21.920  132.939   52.525   20.051   66.979   29.356 -14.45321 35.55011 
1 1 1  -22   21    3 o   71.250   16.535   96.089   47.971  125.615   74.257   74.940   62.845   78.647   24.279   63.852   22.454 14.79561 33.07034 
1 1 1  -22   21    5 o  118.450   15.467  265.833   62.327  374.378   98.024  192.170   80.752  139.916   19.822   96.984   23.748 42.93257 30.93323 
1 1 1  -22   21    7 o  105.296   15.455  215.327   54.880  259.561   87.148  186.259   70.647  113.914   22.444   96.677   21.254 17.23653 30.91026 
1 1 1  -22   21    9 o   71.592   28.476 -86.5996   14.343 -89.5889   14.471   79.693  107.934  ?   ?    71.592   28.476      ?      ? 
1 1 1  -22   21   11 o   82.190   15.440  130.352   42.510  150.049   79.365  122.427   50.340   85.357   24.820   79.023   18.372 6.333603 30.87938 
1 1 1  -22   21   13 f   63.202   15.391   75.504   41.947   51.589   70.030   88.885   52.384   59.161   23.120   67.244   20.321 -8.082375 30.78133 
1 1 1  -22   21   15 o   63.671   15.097   73.710   36.267   83.495   73.086   70.513   41.772   67.025   24.145   60.317   18.128 6.707268 30.19344 
1 1 1  -22   21   17 o   50.738   13.073   21.724   22.658   91.115   62.475   11.215   24.313   67.903   22.414   33.572   13.461 34.33101 26.14536 
1 1 1  -22   21   19 o  159.406   24.996  524.374  140.829  524.374  140.829   0.0000   0.0000  159.406   24.996  ?   ?       ?      ? 
1 1 1  -22   22    4 o   77.379   16.006  116.463   42.330   0.0000   0.0000  116.463   42.330  ?   ?    77.379   16.006      ?      ? 
1 1 1  -22   22    6 o  111.094   13.746  231.838   51.477  335.526   81.705  163.588   66.289  132.649   17.427   89.539   21.263 43.11045 27.49210 
1 1 1  -22   22    8 o   30.995   9.5743   3.9565   13.045  -4.1735   40.877   4.8784   13.765   37.201   16.292   24.790   10.062 12.41132 19.14870 
1 1 1  -22   22   10 o   93.758   14.766  173.519   46.811  205.038   75.431  153.777   59.697  100.069   21.932   87.447   19.778 12.62218 29.53287 
1 1 1  -22   22   12 o   35.682   13.822   16.365   24.863   0.0000   0.0000   16.365   24.863  ?   ?    35.682   13.822      ?      ? 
1 1 1  -21    0    1 o  239.594   11.310  1032.25  134.065  1032.25  134.065  1032.25  134.065  239.594   15.995  239.594   15.995 -0.000000 0.000000 
1 1 1  -21    0    3 o   85.764   13.569  148.483   50.794  148.483   50.794  148.483   50.794   85.764   19.189   85.764   19.189 -0.000000 0.000000 
1 1 1  -21    0    5 o  164.484   11.187  493.062   90.021  493.062   90.021  493.062   90.021  164.484   15.821  164.484   15.821 -0.000000 0.000000 
1 1 1  -21    0    7 o   31.696   11.995   25.468   26.018   25.468   26.018   25.468   26.018   31.696   16.964   31.696   16.964 -0.000000 0.000000 
1 1 1  -21    0    9 o  575.335   14.571  5910.90  417.822  5910.90  417.822  5910.90  417.822  575.335   20.607  575.335   20.607 -0.000000 0.000000 
1 1 1  -21    0   11 o   71.842   13.623  109.153   42.273  109.153   42.273  109.153   42.273   71.842   19.265   71.842   19.265 -0.000000 0.000000 
1 1 1  -21    0   13 o  174.852   11.216  555.706   96.173  555.706   96.173  555.706   96.173  174.852   15.862  174.852   15.862 -0.000000 0.000000 
1 1 1  -21    0   15 o   15.446   7.1620  -2.2422   13.827  -2.2422   13.827  -2.2422   13.827   15.446   10.129   15.446   10.129 -0.000000 0.000000 
1 1 1  -21    0   17 o   21.200   9.1067   7.2002   17.986   7.2002   17.986   7.2002   17.986   21.200   12.879   21.200   12.879 -0.000000 0.000000 
1 1 1  -21    0   19 o  101.845   19.755  222.185   86.953  222.185   86.953  222.185   86.953  101.845   27.937  101.845   27.937 -0.000000 0.000000 
1 1 1  -21    0   21 o  779.075   17.518 10900.30  680.630 10900.30  680.630 10900.30  680.630  779.075   24.775  779.075   24.775 -0.000000 0.000000 
1 1 1  -21    0   23 o  428.139   18.522  3326.01  392.976  3326.01  392.976  3326.01  392.976  428.139   26.194  428.139   26.194 -0.000000 0.000000 
1 1 1  -21    0   25 o   81.392   12.521  133.085   44.640  133.085   44.640  133.085   44.640   81.392   17.708   81.392   17.708 -0.000000 0.000000 
1 1 1  -21    0   27 o  240.934   11.504  1046.72  137.093  1046.72  137.093  1046.72  137.093  240.934   16.269  240.934   16.269 -0.000000 0.000000 
1 1 1  -21    0   29 o  383.556   12.525  2638.59  238.953  2638.59  238.953  2638.59  238.953  383.556   17.712  383.556   17.712 -0.000000 0.000000 
1 1 1  -21    0   31 o  394.401   12.775  2793.55  250.651  2793.55  250.651  2793.55  250.651  394.401   18.067  394.401   18.067 -0.000000 0.000000 
1 1 1  -21    0   33 o  742.072   24.594 10192.68  907.672 10192.68  907.672 10192.68  907.672  742.072   34.781  742.072   34.781 -0.000000 0.000000 
1 1 1  -21    0   35 o  393.909   12.508  2791.94  245.143  2791.94  245.143  2791.94  245.143  393.909   17.689  393.909   17.689 -0.000000 0.000000 
1 1 1  -21    0   37 o  196.261   17.218  728.941  161.915  728.941  161.915  728.941  161.915  196.261   24.350  196.261   24.350 -0.000000 0.000000 
1 1 1  -21    0   39 f  118.199   20.021  294.224  102.607  294.224  102.607  294.224  102.607  118.199   28.314  118.199   28.314 -0.000000 0.000000 
1 1 1  -21    0   41 f  513.189   20.721  5009.90  527.561  5009.90  527.561  5009.90  527.561  513.189   29.304  513.189   29.304 -0.000000 0.000000 
1 1 1  -21    0   43 o   93.660   22.035  211.973   91.861  211.973   91.861  211.973   91.861   93.660   31.162   93.660   31.162 -0.000000 0.000000 
1 1 1  -21    1    2 o  431.949   12.754  3332.71  194.714  3329.32  275.399  3336.09  275.336  431.727   18.048  432.172   18.025 -0.4449158 25.50795 
1 1 1  -21    1    4 o  284.275   14.179  1449.19  134.207  1438.18  232.029  1454.73  164.520  282.849   23.210  285.701   16.292 -2.852051 28.35720 
1 1 1  -21    1    6 o  325.787   14.543  1894.81  158.101  1918.16  273.518  1883.10  193.748  326.591   23.695  324.983   16.868 1.607635 29.08579 
1 1 1  -21    1    8 o  491.106   13.524  4311.40  234.722  4380.44  332.010  4242.42  331.885  495.080   18.974  487.131   19.276 7.949249 27.04770 
1 1 1  -21    1   10 o  324.862   11.846  1881.80  136.005  1862.65  192.412  1900.91  192.268  323.195   16.844  326.529   16.660 -3.334106 23.69101 
1 1 1  -21    1   12 o  359.354   12.112  2304.34  153.812  2350.69  217.568  2258.03  217.479  363.001   16.958  355.707   17.298 7.293579 24.22393 
1 1 1  -21    1   14 o  487.028   13.502  4244.77  232.386  4335.52  328.730  4154.13  328.558  492.295   18.893  481.761   19.296 10.53409 27.00477 
1 1 1  -21    1   16 o  291.260   11.608  1514.42  119.426  1575.45  168.957  1453.47  168.831  297.184   16.085  285.337   16.741 11.84683 23.21616 
1 1 1  -21    1   18 o  227.678   11.194  925.029   90.080  933.856  127.470  916.224  127.315  228.773   15.765  226.584   15.898 2.188324 22.38872 
1 1 1  -21    1   20 o  439.556   12.959  3462.43  201.325  3475.43  284.732  3449.43  284.701  440.393   18.293  438.720   18.360 1.673279 25.91759 
1 1 1  -21    1   22 o   91.357   11.474  151.698   36.255  145.063   51.442  158.246   51.103   88.581   17.050   94.132   15.360 -5.550743 22.94806 
1 1 1  -21    1   24 o   93.064   23.018  162.978   75.291  162.978   75.291   0.0000   0.0000   93.064   23.018  ?   ?       ?      ? 
1 1 1  -21    1   26 o  298.719   11.526  1598.68  121.629  1540.39  172.005  1656.98  172.015  293.198   16.598  304.240   15.997 -11.04208 23.05193 
1 1 1  -21    1   28 o  143.613   10.423  368.715   52.906  370.873   74.774  366.552   74.868  144.040   14.688  143.186   14.794 0.8534546 20.84648 
1 1 1  -21    1   30 o  144.880   11.046  376.224   56.537  390.862   80.178  361.748   79.736  147.717   15.357  142.043   15.882 5.674149 22.09257 
1 1 1  -21    1   32 o  106.503   11.128  203.828   41.805  219.757   59.373  188.167   58.873  110.692   15.176  102.314   16.280 8.377678 22.25655 
1 1 1  -21    1   34 o  341.171   14.160  2062.69  162.297  2293.11  282.480  1949.14  198.292  353.705   22.596  328.638   17.071 25.06766 28.31957 
1 1 1  -21    1   36 o  127.366   13.991  300.284   56.620  300.683  101.113  300.102   68.340  125.659   23.634  129.074   14.980 -3.414680 27.98138 
1 1 1  -21    1   38 o  108.952   16.911  229.963   65.277  159.007   92.844  299.325   91.796   90.501   26.988  127.403   20.386 -36.90202 33.82169 
1 1 1  -21    1   40 o  163.618   16.619  509.042   95.966  482.181  136.213  535.515  135.224  158.962   24.244  168.274   22.736 -9.311691 33.23715 
1 1 1  -21    1   42 o  222.038   16.893  964.386  132.523  998.460  188.510  931.092  186.340  226.192   23.580  217.883   24.197 8.309219 33.78602 
1 1 1  -21    1   44 o   76.328   16.868  119.014   52.191   81.698   74.465  155.044   73.171   66.366   24.301   86.290   23.401 -19.92460 33.73655 
1 1 1  -21    2    1 o  448.961   12.928  3602.88  205.142  3610.09  290.193  3595.67  290.036  449.414   18.269  448.508   18.296 0.9062195 25.85568 
1 1 1  -21    2    3 o  412.336   12.664  3037.14  184.498  2945.07  260.999  3129.10  260.841  406.021   18.187  418.652   17.628 -12.63040 25.32836 
1 1 1  -21    2    5 o  253.596   13.934  1155.24  117.565  1136.95  203.153  1164.45  144.156  251.542   22.850  255.650   15.954 -4.107681 27.86864 
1 1 1  -21    2    7 o  381.565   15.612  2678.93  195.651  2806.54  239.807  2424.89  338.360  396.667   17.105  366.463   26.123 30.20316 31.22499 
1 1 1  -21    2    9 o  464.642   13.211  3858.37  216.925  3935.49  306.882  3781.36  306.675  469.333   18.500  459.952   18.865 9.381714 26.42190 
1 1 1  -21    2   11 o  498.219   13.567  4440.05  238.874  4526.73  337.905  4353.44  337.734  503.138   19.001  493.300   19.371 9.837830 27.13440 
1 1 1  -21    2   13 o  172.983   13.381  535.993   77.167  533.009  133.159  537.502   94.688  172.270   21.870  173.696   15.424 -1.426300 26.76121 
1 1 1  -21    2   15 o  459.745   13.165  3782.17  213.876  3877.05  302.566  3687.41  302.368  465.578   18.387  453.911   18.847 11.66693 26.33038 
1 1 1  -21    2   17 o  383.639   12.504  2634.69  169.261  2812.54  239.495  2457.20  239.248  396.740   17.079  370.538   18.268 26.20142 25.00855 
1 1 1  -21    2   19 o  344.021   12.088  2116.76  146.943  2171.47  207.916  2062.17  207.701  348.513   16.879  339.528   17.308 8.984955 24.17567 
1 1 1  -21    2   21 o  375.180   12.345  2521.46  163.619  2614.14  231.489  2428.93  231.295  382.162   17.138  368.198   17.773 13.96329 24.69005 
1 1 1  -21    2   23 o  330.242   17.124  1981.08  199.729  2062.59  282.161  1899.23  282.759  337.249   23.672  323.235   24.750 14.01431 34.24780 
1 1 1  -21    2   25 o  260.196   15.965  1229.01  146.172  1367.24  207.665  1093.28  205.785  275.061   21.361  245.331   23.732 29.72997 31.92971 
1 1 1  -21    2   27 o  230.678   11.025  952.432   89.873  975.175  127.198  929.759  127.000  233.461   15.415  227.895   15.767 5.565796 22.05047 
1 1 1  -21    2   29 o  308.052   11.908  1703.51  129.627  1740.07  183.361  1666.99  183.279  311.407   16.659  304.697   17.019 6.710022 23.81533 
1 1 1  -21    2   31 o  200.140   13.756  723.343   91.273  727.873  159.522  721.139  111.289  199.805   22.589  200.476   15.706 -0.6709595 27.51260 
1 1 1  -21    2   33 o  252.055   13.365  1126.77  112.810  1224.69  196.806  1078.85  137.672  259.157   21.486  244.952   15.902 14.20430 26.73041 
1 1 1  -21    2   35 o   49.377   11.359   25.490   21.364   80.146   44.074   8.7047   24.425   65.514   18.319   33.239   13.434 32.27452 22.71707 
1 1 1  -21    2   37 o  473.913   18.876  4104.16  316.175   0.0000   0.0000  4104.16  316.175  ?   ?   473.913   18.876      ?      ? 
1 1 1  -21    2   39 o  170.279   13.114  515.482   74.748  590.658  131.785  479.826   90.759  178.199   20.924  162.359   15.816 15.84050 26.22882 
1 1 1  -21    2   41 o  404.247   19.348  3238.83  276.280  3131.59  391.430  3345.30  390.011  396.679   27.919  411.815   26.795 -15.13553 38.69662 
1 1 1  -21    2   43 o  140.430   17.398  399.135   84.617  407.525  119.794  390.781  119.539  143.183   23.671  137.678   25.505 5.505219 34.79699 
1 1 1  -21    3    2 o  372.023   12.282  2471.24  161.490  2458.32  228.571  2484.12  228.191  371.039   17.429  373.007   17.309 -1.968445 24.56363 
1 1 1  -21    3    4 o   80.616   11.636  119.386   32.546   95.052   46.370  143.014   45.692   71.584   18.267   89.649   14.420 -18.06512 23.27298 
1 1 1  -21    3    6 o  178.291   11.018  566.320   69.422  556.300   98.399  576.251   97.958  176.705   15.755  179.877   15.408 -3.172379 22.03695 
1 1 1  -21    3    8 o  221.547   14.159  896.487  103.405  931.095  126.789  827.742  178.695  228.616   15.691  214.478   23.573 14.13768 28.31756 
1 1 1  -21    3   10 o  312.246   11.647  1738.54  128.536  1743.68  181.942  1733.42  181.613  312.709   16.462  311.784   16.481 0.9249268 23.29365 
1 1 1  -21    3   12 o  275.622   11.496  1354.75  111.974  1382.37  158.520  1327.24  158.191  278.449   16.107  272.796   16.407 5.653320 22.99181 
1 1 1  -21    3   14 o  276.821   11.668  1368.35  114.023  1448.12  161.428  1288.92  161.078  284.954   16.028  268.688   16.962 16.26566 23.33665 
1 1 1  -21    3   16 o  360.178   12.252  2319.80  155.828  2436.79  220.533  2203.15  220.215  369.352   16.893  351.004   17.751 18.34784 24.50448 
1 1 1  -21    3   18 o  305.333   11.851  1666.39  127.864  1710.48  180.974  1622.44  180.679  309.409   16.549  301.257   16.969 8.152130 23.70230 
1 1 1  -21    3   20 o  346.994   12.155  2155.90  148.950  2257.87  210.797  2054.21  210.498  355.293   16.786  338.694   17.584 16.59924 24.31013 
1 1 1  -21    3   22 o  320.759   14.272  1824.96  153.571  1938.83  265.728  1767.85  188.180  327.293   22.971  314.224   16.944 13.06860 28.54403 
1 1 1  -21    3   24 o  218.579   11.150  854.562   86.129  870.258  121.967  838.948  121.643  220.602   15.643  216.556   15.893 4.045700 22.29955 
1 1 1  -21    3   26 f  649.122   19.670  7801.14  422.392  7561.20  732.406  7920.72  517.040  637.026   32.529  661.219   22.124 -24.19269 39.33974 
1 1 1  -21    3   28 o  280.422   13.980  1398.29  131.051  1483.52  228.277  1356.39  160.054  285.811   22.598  275.032   16.465 10.77975 27.95977 
1 1 1  -21    3   30 o  163.076   13.829  484.841   74.084  469.121  130.374  492.338   90.031  160.408   22.996  165.743   15.369 -5.335297 27.65858 
1 1 1  -21    3   32 o   83.484   13.738  115.486   37.612  182.441   69.398   87.638   44.756   98.501   20.596   68.468   18.187 30.03345 27.47653 
1 1 1  -21    3   34 o  363.034   14.360  2320.07  175.617  2669.67  305.865  2148.14  214.498  381.396   22.690  344.673   17.607 36.72330 28.72027 
1 1 1  -21    3   36 o  156.006   13.559  435.096   70.294  471.118  124.340  418.176   85.219  159.873   22.005  152.140   15.848 7.733063 27.11750 
1 1 1  -21    3   38 o  581.895   18.167  6326.06  352.923  6688.96  613.162  6146.28  431.580  587.983   29.505  575.808   21.206 12.17444 36.33495 
1 1 1  -21    3   40 o  291.957   13.849  1537.82  135.862  1755.74  237.259  1431.49  165.724  304.856   22.019  279.058   16.802 25.79785 27.69794 
1 1 1  -21    3   42 o  167.380   14.038  530.271   77.945  542.615  135.852  524.213   95.168  166.724   23.054  168.037   16.024 -1.312469 28.07582 
1 1 1  -21    3   44 o  142.382   19.630  432.361   94.514  392.080  124.543  487.060  145.133  135.165   27.014  149.598   28.489 -14.43275 39.26057 
1 1 1  -21    4    1 o  104.310   11.234  194.535   41.303  180.549   58.968  208.006   57.871  100.577   16.588  108.043   15.155 -7.465385 22.46834 
1 1 1  -21    4    3 o  242.953   11.073  1052.24   95.069  1031.10  134.706  1073.22  134.191  240.496   15.847  245.409   15.471 -4.912582 22.14693 
1 1 1  -21    4    5 o  169.498   11.000  512.013   65.883  503.027   93.494  520.875   92.853  168.003   15.745  170.992   15.364 -2.988907 21.99901 
1 1 1  -21    4    7 o  466.496   13.358  3892.48  220.242  3850.47  311.595  3934.43  311.345  463.948   19.002  469.045   18.781 -5.096893 26.71679 
1 1 1  -21    4    9 o  268.316   13.670  1282.70  122.516  1270.82  150.173  1306.36  211.861  267.010   15.913  269.621   22.232 -2.611359 27.33993 
1 1 1  -21    4   11 o  422.261   12.838  3187.48  191.574  3254.06  271.118  3121.09  270.735  426.712   17.976  417.810   18.334 8.902618 25.67623 
1 1 1  -21    4   13 o  210.997   11.080  794.374   82.534  752.266  116.864  836.277  116.578  205.362   16.101  216.632   15.226 -11.26982 22.15952 
1 1 1  -21    4   15 o  436.756   15.622  3383.20  228.472  3590.50  396.714  3280.32  279.472  445.429   25.199  428.083   18.471 17.34558 31.24347 
1 1 1  -21    4   17 o  250.553   14.101  1131.72  116.985  1113.48  203.920  1140.66  142.826  248.339   23.232  252.766   15.987 -4.426544 28.20159 
1 1 1  -21    4   19 o  561.751   14.516  5677.91  288.133  5831.62  407.649  5524.46  407.315  569.482   20.253  554.020   20.801 15.46240 29.03207 
1 1 1  -21    4   21 o  327.239   14.607  1925.55  159.395  1939.56  275.626  1918.52  195.380  327.100   23.841  327.377   16.885 -0.2771301 29.21466 
1 1 1  -21    4   23 o  527.250   16.764  4893.89  298.220  5554.68  516.425  4563.29  365.282  551.420   26.497  503.080   20.543 48.34073 33.52828 
1 1 1  -21    4   25 o  402.228   18.001  2953.43  255.836  3043.27  362.679  2864.44  360.941  408.486   25.120  395.971   25.790 12.51511 36.00224 
1 1 1  -21    4   27 o   98.011   15.197  210.401   51.367   78.567   91.119  271.815   62.192   72.669   26.838  123.352   14.265 -50.68308 30.39359 
1 1 1  -21    4   29 o  280.083   14.148  1406.82  131.925  1451.97  230.133  1384.72  161.006  282.375   23.059  277.792   16.398 4.583099 28.29504 
1 1 1  -21    4   31 o  140.524   13.412  352.402   62.202  370.051  110.795  344.280   75.166  142.514   21.996  138.534   15.351 3.980011 26.82315 
1 1 1  -21    4   33 o  328.194   14.444  1927.75  158.417  2061.58  276.408  1862.30  193.317  335.080   23.339  321.308   17.023 13.77277 28.88740 
1 1 1  -21    4   35 o  520.216   17.769  5060.62  305.682  4955.88  531.026  5112.53  373.832  511.365   29.381  529.067   19.991 -17.70184 35.53723 
1 1 1  -21    4   37 o  137.206   12.958  328.713   59.103  389.508  106.386  301.572   71.082  145.351   20.708  129.061   15.583 16.28967 25.91638 
1 1 1  -21    4   39 o  381.708   16.174  2781.86  202.633  2641.55  353.078  2850.76  247.438  369.686   27.022  393.730   17.781 -24.04385 32.34715 
1 1 1  -21    4   41 o  380.160   15.416  2716.19  195.456  2924.01  341.411  2614.86  238.387  386.157   25.015  374.163   18.026 11.99380 30.83292 
1 1 1  -21    4   43 o  129.340   13.410  307.766   57.514  360.441  103.476  284.217   69.186  135.502   21.606  123.179   15.891 12.32356 26.82086 
1 1 1  -21    5    2 o  102.699   11.726  191.636   41.462  176.492   59.409  206.017   57.892   97.887   17.828  107.510   15.235 -9.623116 23.45124 
1 1 1  -21    5    4 o  445.858   13.252  3557.65  208.814  3510.41  295.510  3604.76  295.106  442.861   18.879  448.856   18.602 -5.994629 26.50369 
1 1 1  -21    5    6 o  346.159   11.968  2139.30  146.395  2196.10  207.349  2082.85  206.719  350.782   16.724  341.536   17.125 9.245758 23.93643 
1 1 1  -21    5    8 o  251.252   11.559  1126.91  102.518  1194.21  145.238  1060.09  144.727  258.799   15.878  243.704   16.802 15.09488 23.11764 
1 1 1  -21    5   10 o  164.292   10.983  481.839   63.566  530.020   90.332  434.578   89.465  172.503   14.816  156.080   16.218 16.42273 21.96632 
1 1 1  -21    5   12 o  229.187   11.139  936.768   90.221  958.181  127.911  915.567  127.274  231.812   15.612  226.561   15.894 5.250229 22.27883 
1 1 1  -21    5   14 o  305.001   11.618  1661.02  125.232  1684.27  177.400  1637.92  176.812  307.146   16.341  302.856   16.518 4.289703 23.23537 
1 1 1  -21    5   16 o  400.669   12.732  2876.67  180.027  3064.68  254.948  2689.69  254.248  413.902   17.427  387.436   18.567 26.46567 25.46451 
1 1 1  -21    5   18 o  596.984   15.054  6428.96  316.900  6929.92  448.440  5929.23  447.889  620.690   20.441  573.278   22.105 47.41217 30.10756 
1 1 1  -21    5   20 o  372.699   15.673  2552.57  192.230  2384.38  333.904  2635.95  235.098  361.785   26.113  383.612   17.340 -21.82663 31.34531 
1 1 1  -21    5   22 o  432.453   18.497  3412.91  282.704  3467.90  400.712  3358.41  398.903  436.003   26.003  428.904   26.314 7.099670 36.99434 
1 1 1  -21    5   24 o  228.414   14.341  961.145  107.266  885.052  187.295  998.286  130.851  220.609   24.021  236.219   15.673 -15.60980 28.68137 
1 1 1  -21    5   26 o  321.081   17.042  1877.69  193.385  1883.59  275.019  1871.92  271.980  321.541   24.200  320.622   24.001 0.9186707 34.08299 
1 1 1  -21    5   28 o  171.837   14.420  551.894   80.132  486.651  141.187  582.897   97.327  163.232   24.472  180.442   15.261 -17.21085 28.84039 
1 1 1  -21    5   30 o   83.684   14.640  141.732   43.182   80.401   78.702  168.148   51.650   70.511   25.092   96.856   15.088 -26.34436 29.27925 
1 1 1  -21    5   32 o  590.034   18.595  6433.51  364.525  6485.81  633.020  6407.56  445.873  587.160   30.503  592.909   21.277 -5.748291 37.19030 
1 1 1  -21    5   34 o   92.378   15.085  166.526   45.792  136.398   85.007  178.842   54.352   85.102   25.925   99.654   15.431 -14.55196 30.16973 
1 1 1  -21    5   36 o  538.994   18.125  5471.01  323.135  5397.17  561.647  5507.55  395.069  530.472   29.956  547.516   20.415 -17.04346 36.25100 
1 1 1  -21    5   38 o  455.203   16.265  3831.53  247.027  4076.16  430.660  3711.57  301.570  461.618   26.396  448.789   19.012 12.82898 32.52968 
1 1 1  -21    5   40 o  204.720   14.933  807.348   98.975  750.279  175.419  834.000  119.879  196.410   25.269  213.029   15.921 -16.61951 29.86691 
1 1 1  -21    5   42 o  186.208   16.657  685.065  109.528  712.024  159.055  660.751  151.048  189.527   23.744  182.889   23.367 6.638794 33.31383 
1 1 1  -21    6    1 o  246.883   11.258  1089.47   98.060  1019.61  139.104  1158.47  138.256  238.918   16.473  254.848   15.349 -15.92952 22.51556 
1 1 1  -21    6    3 o  498.970   13.485  4467.07  237.333  4148.77  335.859  4784.54  335.422  480.940   19.758  517.000   18.356 -36.05957 26.96906 
1 1 1  -21    6    5 o  131.794   10.783  309.445   50.210  316.001   72.292  303.335   69.789  133.133   15.363  130.454   15.136 2.678543 21.56674 
1 1 1  -21    6    7 o  325.262   11.626  1888.72  133.627  1853.37  189.301  1923.83  188.654  322.192   16.623  328.332   16.257 -6.140503 23.25114 
1 1 1  -21    6    9 o  500.409   13.630  4487.04  241.059  4441.09  341.195  4532.83  340.624  497.810   19.392  503.008   19.159 -5.198425 27.26026 
1 1 1  -21    6   11 o  134.291   10.685  321.592   50.692  317.333   72.551  325.655   70.856  133.400   15.388  135.181   14.830 -1.781097 21.37071 
1 1 1  -21    6   13 o  340.789   12.045  2076.00  145.071  2057.52  205.455  2094.37  204.868  339.254   17.135  342.324   16.932 -3.069916 24.08932 
1 1 1  -21    6   15 o  393.634   15.687  2814.00  204.320  2734.01  355.277  2853.53  249.755  388.002   25.907  399.267   17.698 -11.26465 31.37495 
1 1 1  -21    6   17 o  189.066   14.386  660.608   88.475  595.714  155.475  691.687  107.594  181.309   24.262  196.824   15.467 -15.51418 28.77219 
1 1 1  -21    6   19 o  181.682   13.249  577.791   80.264  637.360  141.796  549.706   97.363  187.976   21.342  175.389   15.706 12.58728 26.49869 
1 1 1  -21    6   21 o  496.560   27.716  4517.32  486.432   0.0000   0.0000  4517.32  486.432  ?   ?   496.560   27.716      ?      ? 
1 1 1  -21    6   23 o  327.655   15.240  1975.83  164.032  1843.52  285.765  2040.85  200.321  317.862   25.436  337.448   16.796 -19.58603 30.48097 
1 1 1  -21    6   25 o  343.694   15.099  2144.58  171.813  2116.58  299.530  2158.32  209.750  340.576   24.883  346.812   17.111 -6.236420 30.19895 
1 1 1  -21    6   27 o  103.795   15.909  212.656   52.472  166.007   99.026  230.867   61.872   94.038   27.833  113.552   15.416 -19.51448 31.81712 
1 1 1  -21    6   29 o  209.082   15.058  824.803  100.946  715.995  179.463  875.162  122.091  197.290   25.736  220.874   15.639 -23.58353 30.11572 
1 1 1  -21    6   31 o   79.769   15.031  110.063   38.221  139.968   79.088  100.951   43.657   86.116   24.700   73.422   17.136 12.69359 30.06224 
1 1 1  -21    6   33 o  158.127   13.505  437.716   70.460  500.921  127.902  410.178   84.425  165.348   21.886  150.905   15.829 14.44301 27.00983 
1 1 1  -21    6   35 o  479.646   16.724  4233.70  266.928  4389.28  465.313  4157.39  325.881  482.300   27.297  476.991   19.330 5.308594 33.44765 
1 1 1  -21    6   37 o  419.742   15.961  3245.05  222.680  3424.86  390.523  3158.42  271.066  424.534   26.026  414.951   18.482 9.582764 31.92133 
1 1 1  -21    6   39 o  494.189   29.737  4867.69  519.414  4867.69  519.414   0.0000   0.0000  494.189   29.737  ?   ?       ?      ? 
1 1 1  -21    6   41 o  205.197   16.955  827.007  122.743  859.206  180.194  799.134  167.653  208.496   24.452  201.899   23.494 6.597458 33.91004 
1 1 1  -21    6   43 f   79.811   17.950  137.928   58.708   91.379   97.772  164.173   73.416   70.915   27.427   88.706   23.165 -17.79028 35.90090 
1 1 1  -21    7    2 o  376.057   12.105  2530.67  160.769  2425.29  227.757  2635.32  226.969  368.148   17.504  383.965   16.725 -15.81693 24.20931 
1 1 1  -21    7    4 o   68.632   11.877   86.760   28.544   98.322   42.340   77.128   38.646   72.751   16.805   64.514   16.787 8.237221 23.75319 
1 1 1  -21    7    6 o  294.439   10.847  1546.43  112.868  1536.83  160.391  1555.84  158.859  293.512   15.461  295.365   15.217 -1.853271 21.69328 
1 1 1  -21    7    8 o  274.354   14.638  1367.76  131.853  1310.69  231.854  1395.04  160.298  269.196   24.368  279.513   16.226 -10.31644 29.27614 
1 1 1  -21    7   10 o  401.491   15.745  2924.23  209.120  2848.89  364.063  2961.33  255.470  396.189   25.999  406.794   17.768 -10.60507 31.49053 
1 1 1  -21    7   12 o  166.780   15.767  501.023   92.892  519.223  134.070  484.219  128.825  169.681   22.355  163.878   22.241 5.802719 31.53459 
1 1 1  -21    7   14 o  165.665   16.091  538.198   81.018  416.450  143.680  594.955   98.101  148.738   28.366  182.593   15.201 -33.85518 32.18251 
1 1 1  -21    7   16 o  311.053   16.861  1752.30  185.355  1783.71  264.277  1721.88  260.039  313.802   23.828  308.304   23.864 5.497681 33.72296 
1 1 1  -21    7   18 o  296.531   14.600  1585.33  143.336  1581.37  250.688  1587.24  174.711  295.248   24.023  297.814   16.598 -2.565338 29.19924 
1 1 1  -21    7   20 o  362.914   17.429  2361.53  223.555   0.0000   0.0000  2361.53  223.555  ?   ?   362.914   17.429      ?      ? 
1 1 1  -21    7   22 o  309.560   15.028  1755.88  153.029  1663.55  267.092  1801.01  186.712  302.092   25.015  317.029   16.663 -14.93704 30.05680 
1 1 1  -21    7   24 o  348.155   16.653  2325.20  185.748  1888.31  323.597  2539.88  226.841  320.070   28.605  376.239   17.058 -56.16965 33.30502 
1 1 1  -21    7   26 o  356.875   17.094  2323.07  215.248  2503.01  307.398  2149.98  301.500  370.758   23.458  342.992   24.870 27.76611 34.18792 
1 1 1  -21    7   28 o  671.061   20.038  8339.10  446.493  8375.21  775.369  8321.18  546.130  666.666   32.906  675.455   22.876 -8.788818 40.07664 
1 1 1  -21    7   30 o  125.872   14.502  283.160   57.305  314.850  107.346  270.530   67.769  129.016   24.436  122.729   15.623 6.287193 29.00306 
1 1 1  -21    7   32 o  347.833   15.273  2210.93  175.318  2218.05  308.396  2207.53  213.103  346.115   25.210  349.552   17.249 -3.437256 30.54583 
1 1 1  -21    7   34 o  217.429   14.279  856.669  101.415  888.882  183.292  842.457  121.750  218.928   23.688  215.931   15.953 2.997055 28.55852 
1 1 1  -21    7   36 o  274.251   16.312  1401.25  157.475  1579.25  228.017  1238.93  217.743  291.451   22.135  257.052   23.966 34.39938 32.62447 
1 1 1  -21    7   38 o  226.775   25.020  986.003  200.540  986.003  200.540   0.0000   0.0000  226.775   25.020  ?   ?       ?      ? 
1 1 1  -21    7   40 o  256.823   18.050  1309.61  163.031  1231.31  236.722  1380.27  224.855  247.832   27.025  265.813   23.934 -17.98099 36.09910 
1 1 1  -21    7   42 o  266.192   15.390  1388.77  133.264  1416.49  239.151  1376.29  160.491  262.531   25.773  269.853   16.827 -7.322449 30.78005 
1 1 1  -21    8    1 o  187.179   11.410  626.807   75.401  596.582  107.022  656.596  106.247  182.635   16.579  191.722   15.679 -9.086868 22.81916 
1 1 1  -21    8    3 o  203.523   13.600  735.266   90.915  766.347  163.222  721.285  109.468  206.038   22.414  201.008   15.408 5.030136 27.19902 
1 1 1  -21    8    5 o  300.562   14.068  1594.13  141.068  1710.92  247.466  1537.91  171.697  307.814   22.746  293.309   16.562 14.50470 28.13695 
1 1 1  -21    8    7 o  279.491   13.726  1364.79  127.978  1515.57  226.186  1293.79  155.211  289.905   22.074  269.078   16.320 20.82776 27.45228 
1 1 1  -21    8    9 o  205.918   15.722  816.393  102.240  639.917  180.693  899.499  123.998  187.378   27.284  224.457   15.630 -37.07970 31.44354 
1 1 1  -21    8   11 o  431.098   16.151  3360.96  231.011  3346.70  402.111  3367.99  282.234  428.771   26.534  433.424   18.424 -4.652893 32.30285 
1 1 1  -21    8   13 o  332.038   15.364  2016.28  167.788  1909.73  292.971  2068.29  204.680  324.123   25.574  339.953   17.035 -15.83038 30.72785 
1 1 1  -21    8   15 o  200.462   15.866  718.231  112.412   0.0000   0.0000  718.231  112.412  ?   ?   200.462   15.866      ?      ? 
1 1 1  -21    8   17 o  333.185   14.880  1995.85  164.520  2022.25  287.587  1983.00  200.583  333.655   24.387  332.715   17.057 0.9393616 29.75986 
1 1 1  -21    8   19 o  286.272   16.534  1467.56  167.294   0.0000   0.0000  1467.56  167.294  ?   ?   286.272   16.534      ?      ? 
1 1 1  -21    8   21 o  256.905   15.030  1212.86  125.914  1139.50  222.731  1247.32  152.646  249.927   25.214  263.882   16.367 -13.95534 30.06036 
1 1 1  -21    8   23 o  113.326   18.261  247.732   71.262  211.596  108.502  275.146   94.502  105.387   28.461  121.265   22.888 -15.87735 36.52236 
1 1 1  -21    8   25 o  190.100   13.273  618.550   83.282  742.952  152.529  565.710   99.407  202.510   21.310  177.690   15.828 24.81998 26.54541 
1 1 1  -21    8   27 o  327.629   17.091  1963.13  197.775  2064.97  283.778  1866.94  275.786  336.012   23.895  319.246   24.441 16.76630 34.18105 
1 1 1  -21    8   29 o  319.163   13.800  1766.99  147.217  2090.17  262.080  1618.01  177.944  338.546   21.903  299.781   16.794 38.76431 27.60018 
1 1 1  -21    8   31 f  372.682   16.980  2562.53  221.618  3008.40  318.580  2144.46  308.492  405.224   22.244  340.140   25.661 65.08365 33.95940 
1 1 1  -21    8   33 o  230.714   16.575  982.631  134.893  1027.06  198.506  944.515  183.869  235.355   23.863  226.072   23.011 9.283524 33.15076 
1 1 1  -21    8   35 o  218.657   16.754  891.092  129.108  928.391  191.294  859.888  174.968  222.525   24.322  214.788   23.048 7.736877 33.50762 
1 1 1  -21    8   37 o  195.149   17.747  733.755  121.029  669.397  179.168  787.769  164.139  185.884   27.271  204.415   22.718 -18.53140 35.49413 
1 1 1  -21    8   39 o  224.024   14.653  935.579  106.606  998.135  195.093  908.948  127.291  226.271   24.394  221.777   16.239 4.493668 29.30526 
1 1 1  -21    8   41 o  204.109   15.265  800.311   99.163  851.424  186.640  780.207  117.050  204.242   25.855  203.977   16.236 0.2651367 30.52976 
1 1 1  -21    9    2 o  121.498   17.181  313.446   65.963  176.698  117.943  375.689   79.571   97.988   30.656  145.009   15.525 -47.02166 34.36293 
1 1 1  -21    9    4 f  258.775   14.781  1240.73  124.599  1113.54  218.024  1302.41  151.838  247.602   24.913  269.948   15.914 -22.34618 29.56221 
1 1 1  -21    9    6 o  349.605   14.703  2199.84  170.546  2205.73  297.478  2196.96  208.151  348.812   24.129  350.398   16.807 -1.585510 29.40582 
1 1 1  -21    9    8 o  421.718   17.134  3313.92  235.790  2976.82  410.969  3479.34  287.887  403.050   28.849  440.385   18.496 -37.33551 34.26879 
1 1 1  -21    9   10 o  226.212   14.344  930.024  106.078  896.279  188.231  945.730  128.412  222.370   23.949  230.054   15.793 -7.683914 28.68767 
1 1 1  -21    9   12 o  111.394   14.726  213.196   51.019  262.363   99.800  195.800   59.362  118.141   24.696  104.648   16.049 13.49233 29.45269 
1 1 1  -21    9   14 o  123.130   14.797  272.840   57.178  290.736  106.353  265.564   67.812  124.377   25.059  121.883   15.741 2.494354 29.59306 
1 1 1  -21    9   16 o  434.522   14.809  3283.47  216.482  3809.55  378.888  3028.48  263.778  458.316   23.390  410.728   18.170 47.58813 29.61828 
1 1 1  -21    9   18 o  508.851   16.909  4659.39  286.771  4846.30  499.884  4567.71  350.113  514.112   27.510  503.589   19.670 10.52347 33.81898 
1 1 1  -21    9   20 o  222.021   17.866  915.974  136.943  712.832  196.870  1106.41  190.616  196.831   28.299  247.211   21.816 -50.38007 35.73151 
1 1 1  -21    9   22 o  328.324   16.184  2042.66  171.187  1734.92  299.828  2191.50  208.514  307.143   27.619  349.504   16.880 -42.36133 32.36887 
1 1 1  -21    9   24 o  228.462   15.902  935.423  128.406   0.0000   0.0000  935.423  128.406  ?   ?   228.462   15.902      ?      ? 
1 1 1  -21    9   26 o  431.636   16.966  3469.09  239.684  3238.81  419.641  3580.59  292.000  417.841   28.415  445.431   18.547 -27.58942 33.93248 
1 1 1  -21    9   28 o  171.496   17.517  546.440  104.796  496.641  156.472  586.948  141.123  163.691   27.045  179.301   22.269 -15.61024 35.03340 
1 1 1  -21    9   30 o  493.006   20.201  4556.24  351.860  4476.26  501.382  4633.85  493.913  488.261   29.053  497.752   28.075 -9.490814 40.40170 
1 1 1  -21    9   32 o  277.788   23.650  1429.02  232.205   0.0000   0.0000  1429.02  232.205  ?   ?   277.788   23.650      ?      ? 
1 1 1  -21    9   36 o  210.415   13.597  768.573   93.408  954.317  175.382  695.019  110.364  225.628   21.992  195.201   15.997 30.42651 27.19467 
1 1 1  -21    9   38 o  189.260   18.149  706.026  119.474  673.630  182.551  730.298  158.016  183.559   28.138  194.961   22.932 -11.40218 36.29851 
1 1 1  -21    9   40 o  233.425   15.466  1049.95  115.135  1099.18  215.144  1030.19  136.295  232.336   26.199  234.513   16.443 -2.176682 30.93208 
1 1 1  -21   10    1 o  159.545   14.880  474.128   76.532  421.650  135.967  498.465   92.594  152.134   25.286  166.957   15.691 -14.82339 29.75926 
1 1 1  -21   10    3 o   71.178   14.978   87.664   37.228  104.214   71.425   81.491   43.621   76.030   23.868   66.325   18.102 9.705299 29.95582 
1 1 1  -21   10    5 o  305.033   16.345  1782.44  159.428  1435.30  278.119  1952.34  194.569  279.837   28.119  330.229   16.670 -50.39240 32.68929 
1 1 1  -21   10    7 o  224.997   16.317  982.378  115.640  757.633  203.924  1088.91  140.396  203.258   28.386  246.736   16.099 -43.47826 32.63335 
1 1 1  -21   10    9 o  307.273   18.201  1736.45  195.084  1436.89  277.870  2027.62  273.953  280.011   28.077  334.535   23.169 -54.52472 36.40226 
1 1 1  -21   10   11 o  498.804   17.365  4577.93  285.402  4361.32  496.917  4684.56  348.640  487.250   28.854  510.358   19.328 -23.10748 34.72952 
1 1 1  -21   10   13 o  262.489   15.369  1294.81  130.360  1114.22  228.286  1382.19  158.796  247.059   26.143  277.920   16.166 -30.86086 30.73769 
1 1 1  -21   10   15 o  237.071   17.247  1030.09  143.307  909.230  206.867  1141.61  198.712  223.067   26.238  251.076   22.392 -28.00832 34.49440 
1 1 1  -21   10   17 o  302.536   14.039  1602.17  141.455  1792.84  251.132  1513.56  171.197  314.461   22.595  290.611   16.667 23.84985 28.07734 
1 1 1  -21   10   19 o  144.145   19.878  417.716   97.682  215.020  143.557  592.479  133.299  107.231   33.862  181.058   20.830 -73.82710 39.75551 
1 1 1  -21   10   21 o   84.693   16.048  121.512   41.884  158.241   92.823  112.122   46.934   91.872   26.878   77.514   17.540 14.35818 32.09532 
1 1 1  -21   10   23 o  301.202   17.132  1656.97  182.319  1647.58  260.841  1665.95  254.937  300.224   24.582  302.180   23.870 -1.955841 34.26389 
1 1 1  -21   10   25 o  442.062   18.552  3600.31  289.519  3840.32  413.789  3370.11  405.228  456.911   25.623  427.212   26.837 29.69894 37.10473 
1 1 1  -21   10   27 o  317.383   16.755  1846.12  187.184  2073.12  269.406  1634.27  260.266  336.738   22.636  298.028   24.708 38.71033 33.50923 
1 1 1  -21   10   29 o  401.200   17.746  2976.87  250.496  3355.62  360.070  2621.64  348.712  426.781   23.870  375.620   26.266 51.16180 35.49250 
1 1 1  -21   10   31 o  152.583   14.156  389.290   67.225  505.755  138.147  353.155   76.950  165.248   23.653  139.917   15.560 25.33159 28.31221 
1 1 1  -21   10   33 o  213.495   18.130  869.435  134.529  776.977  201.745  943.465  180.524  201.697   28.300  225.293   22.671 -23.59669 36.26081 
1 1 1  -21   10   35 f  143.060   18.712  428.473   76.502  342.237  156.204  455.685   87.745  127.938   33.973  158.182   15.694 -30.24443 37.42317 
1 1 1  -21   10   37 o  248.619   15.350  1168.85  122.887  1190.43  225.353  1159.72  146.602  246.555   25.860  250.683   16.546 -4.128616 30.70041 
1 1 1  -21   10   39 o  166.597   15.761  516.702   92.805   0.0000   0.0000  516.702   92.805  ?   ?   166.597   15.761      ?      ? 
1 1 1  -21   11    2 o  268.565   15.985  1290.98  151.738   0.0000   0.0000  1290.98  151.738  ?   ?   268.565   15.985      ?      ? 
1 1 1  -21   11    4 o  264.950   14.028  1245.50  122.568  1318.55  219.166  1212.26  147.851  269.648   22.996  260.253   16.073 9.394714 28.05674 
1 1 1  -21   11    6 o  289.674   17.205  1648.78  156.566  1222.99  273.290  1856.79  191.020  257.425   30.037  321.922   16.788 -64.49667 34.41007 
1 1 1  -21   11    8 o  225.675   15.285  961.664  110.810  814.898  195.081  1031.57  134.639  211.225   26.131  240.125   15.864 -28.90047 30.56915 
1 1 1  -21   11   10 o  162.715   17.489  541.103   84.162  376.301  151.464  614.713  101.227  140.015   31.383  185.415   15.447 -45.40050 34.97849 
1 1 1  -21   11   12 o  101.322   16.082  217.310   54.588  111.637   99.919  262.268   65.174   81.521   28.333  121.122   15.224 -39.60088 32.16391 
1 1 1  -21   11   14 o  475.604   17.648  4193.97  275.613  3923.13  480.239  4326.99  336.557  461.076   29.469  490.132   19.428 -29.05536 35.29679 
1 1 1  -21   11   16 o   78.623   15.964  114.912   42.842  102.174   86.909  119.002   49.240   77.380   26.446   79.865   17.888 -2.485466 31.92778 
1 1 1  -21   11   18 o  405.298   25.652  3004.93  367.471   0.0000   0.0000  3004.93  367.471  ?   ?   405.298   25.652      ?      ? 
1 1 1  -21   11   20 o  158.418   18.024  471.076   97.083  419.370  144.167  513.978  131.322  148.544   28.496  168.292   22.078 -19.74730 36.04773 
1 1 1  -21   11   22 o  110.205   18.715  240.554   76.520  128.038  117.910  322.420  100.576   87.128   30.744  133.281   21.350 -46.15289 37.43072 
1 1 1  -21   11   24 o  537.893   20.560  5387.31  390.803  5522.20  555.698  5255.32  549.709  544.755   28.861  531.031   29.288 13.72443 41.11910 
1 1 1  -21   11   26 o  300.001   17.033  1651.24  180.456  1740.61  261.040  1569.43  249.741  307.808   23.994  292.193   24.182 15.61490 34.06628 
1 1 1  -21   11   28 o  329.409   17.009  1996.95  197.516  2206.63  286.288  1806.49  272.856  346.247   23.394  312.572   24.698 33.67554 34.01846 
1 1 1  -21   11   30 o  464.131   16.985  3978.58  260.433  4051.91  458.206  3943.58  316.532  463.315   27.981  464.946   19.262 -1.630646 33.96987 
1 1 1  -21   11   32 o  279.125   16.526  1415.09  163.041   0.0000   0.0000  1415.09  163.041  ?   ?   279.125   16.526      ?      ? 
1 1 1  -21   11   34 o   52.988   14.980   37.326   30.733 -31.6159  104.568   43.845   32.153   56.359   25.289   49.616   16.063 6.742970 29.95948 
1 1 1  -21   11   36 o  273.995   16.192  1460.32  141.531  1376.27  257.474  1496.71  169.424  263.373   27.659  284.618   16.842 -21.24454 32.38354 
1 1 1  -21   11   38 o  203.323   15.149  775.903   97.112  861.132  187.732  744.764  113.473  206.752   25.690  199.895   16.061 6.857437 30.29759 
1 1 1  -21   12    1 o   37.343   13.857   19.226   24.347   0.0000   0.0000   19.226   24.347  ?   ?    37.343   13.857      ?      ? 
1 1 1  -21   12    3 o  148.981   16.754  447.951   73.830  330.192  136.148  497.006   87.873  131.222   30.008  166.739   14.911 -35.51720 33.50794 
1 1 1  -21   12    5 o  194.694   12.907  653.812   81.407  751.028  153.060  615.463   96.132  203.793   21.250  185.595   14.655 18.19798 25.81302 
1 1 1  -21   12    7 o   99.353   17.101  166.820   50.743  223.472  112.206  152.255   56.894  108.247   28.817   90.458   18.421 17.78923 34.20166 
1 1 1  -21   12    9 o  157.134   14.086  409.067   69.854  528.296  140.369  369.820   80.535  170.534   23.288  143.733   15.853 26.80087 28.17199 
1 1 1  -21   12   11 o  205.384   14.658  750.278   97.806  792.528  179.521  732.444  116.637  208.579   24.351  202.189   16.321 6.390976 29.31515 
1 1 1  -21   12   13 o  158.249   15.795  480.713   76.198  412.101  138.999  510.190   91.107  147.620   27.657  168.879   15.264 -21.25916 31.58942 
1 1 1  -21   12   15 o  277.792   16.315  1403.11  159.302  1597.27  228.668  1220.03  222.052  296.888   21.792  258.696   24.285 38.19186 32.62916 
1 1 1  -21   12   17 o  446.520   26.734  3661.58  421.907   0.0000   0.0000  3661.58  421.907  ?   ?   446.520   26.734      ?      ? 
1 1 1  -21   12   19 o   67.010   24.602   67.336   76.390   67.336   76.390   0.0000   0.0000   67.010   24.602  ?   ?       ?      ? 
1 1 1  -21   12   21 o  133.461   18.973  350.066   86.833  228.835  128.294  452.550  117.957  109.061   31.511  157.861   21.141 -48.80020 37.94624 
1 1 1  -21   12   23 o  103.551   17.446  209.190   56.981  174.141  117.501  219.967   65.155   96.539   30.651  110.564   16.673 -14.02489 34.89229 
1 1 1  -21   12   25 o   76.178   16.481  110.257   45.127   75.054   95.256  120.444   51.243   72.302   27.291   80.053   18.484 -7.750664 32.96187 
1 1 1  -21   12   27 o  352.582   15.191  2257.82  177.031  2329.11  312.667  2224.18  214.774  354.498   24.954  350.666   17.329 3.831329 30.38110 
1 1 1  -21   12   29 o  173.975   19.732  596.293  114.088  475.014  172.288  691.006  152.253  154.440   32.587  193.510   22.261 -39.06978 39.46483 
1 1 1  -21   12   31 o  124.547   17.184  301.626   63.976  283.518  128.212  307.629   73.823  118.886   30.395  130.208   16.041 -11.32214 34.36810 
1 1 1  -21   12   33 f  139.009   14.424  318.432   61.173  446.922  131.250  282.774   69.143  153.450   24.200  124.569   15.704 28.88088 28.84886 
1 1 1  -21   12   35 o   50.585   14.805  -7.0620   14.235  126.937   98.812  -9.9020   14.385   81.321   28.180   19.849   9.0913 61.47250 29.61052 
1 1 1  -21   12   37 o  207.497   16.810  874.258  106.964  793.005  202.798  905.574  125.901  194.651   29.477  220.343   16.166 -25.69228 33.61928 
1 1 1  -21   13    2 o  369.678   18.612  2460.80  243.189   0.0000   0.0000  2460.80  243.189  ?   ?   369.678   18.612      ?      ? 
1 1 1  -21   13    4 o  120.623   17.142  261.213   73.084   0.0000   0.0000  261.213   73.084  ?   ?   120.623   17.142      ?      ? 
1 1 1  -21   13    6 o  163.643   14.004  449.195   75.617  580.542  140.129  395.235   89.816  178.903   22.161  148.384   17.126 30.51833 28.00716 
1 1 1  -21   13    8 o  109.063   18.145  213.925   69.944   0.0000   0.0000  213.925   69.944  ?   ?   109.063   18.145      ?      ? 
1 1 1  -21   13   10 o  222.287   17.998  918.600  137.706  689.415  195.408  1144.70  194.090  193.288   28.603  251.287   21.853 -57.99992 35.99606 
1 1 1  -21   13   12 o  217.775   17.554  865.193  135.019  896.481  195.436  836.625  186.751  221.497   24.964  214.053   24.684 7.443832 35.10737 
1 1 1  -21   13   14 o  143.809   20.003  393.174   98.844  346.426  146.857  431.891  133.649  133.854   31.556  153.764   24.592 -19.91058 40.00683 
1 1 1  -21   13   16 o   75.593   18.144   96.227   54.264  100.135  100.595   94.623   64.444   78.880   28.337   72.307   22.667 6.573898 36.28710 
1 1 1  -21   13   18 o  233.463   15.036  959.673  120.241  1361.85  186.919  675.774  157.047  274.496   19.266  192.431   23.091 82.06474 30.07263 
1 1 1  -21   13   20 o  268.177   14.012  1264.52  124.503  1414.31  223.194  1196.86  150.012  278.340   22.687  258.013   16.450 20.32758 28.02357 
1 1 1  -21   13   22 o  474.874   18.076  4243.81  280.884  3927.05  490.015  4398.82  342.790  457.299   30.317  492.448   19.695 -35.14835 36.15260 
1 1 1  -21   13   24 o  309.616   14.652  1700.59  150.278  1884.12  268.841  1617.18  181.238  319.939   23.774  299.294   17.133 20.64511 29.30451 
1 1 1  -21   13   26 o  116.831   17.539  282.885   61.859  205.633  125.468  307.694   71.101  102.976   31.521  130.686   15.393 -27.70996 35.07877 
1 1 1  -21   13   28 o  222.521   15.534  911.731  110.998  919.431  204.831  908.530  132.070  221.173   26.203  223.869   16.691 -2.696411 31.06731 
1 1 1  -21   13   30 o  263.008   18.153  1426.80  145.489  1031.07  261.019  1605.17  175.235  229.061   32.240  296.955   16.696 -67.89369 36.30696 
1 1 1  -21   13   32 o  414.759   16.740  3247.96  228.600  3300.80  403.408  3222.96  277.445  412.003   27.703  417.514   18.801 -5.511108 33.48032 
1 1 1  -21   13   34 o  126.768   19.980  342.893   69.363  295.673  169.270  352.422   76.040  115.079   36.815  138.456   15.539 -23.37777 39.96001 
1 1 1  -21   13   36 o  219.755   17.960  948.095  137.489  1123.39  218.227  832.718  177.045  235.272   26.243  204.238   24.526 31.03403 35.91992 
1 1 1  -21   14    1 o  183.271   22.213  611.331  143.890   0.0000   0.0000  611.331  143.890  ?   ?   183.271   22.213      ?      ? 
1 1 1  -21   14    3 o  434.204   26.373  3467.80  404.740   0.0000   0.0000  3467.80  404.740  ?   ?   434.204   26.373      ?      ? 
1 1 1  -21   14    9 o  104.301   29.634  207.562  114.381   0.0000   0.0000  207.562  114.381  ?   ?   104.301   29.634      ?      ? 
1 1 1  -21   14   11 o  436.430   27.002  3509.72  416.517   0.0000   0.0000  3509.72  416.517  ?   ?   436.430   27.002      ?      ? 
1 1 1  -21   14   13 o  316.538   25.274  1839.09  282.767  1839.09  282.767   0.0000   0.0000  316.538   25.274  ?   ?       ?      ? 
1 1 1  -21   14   15 o  265.443   15.206  1294.03  129.872  1247.68  236.598  1314.01  155.372  260.416   25.705  270.469   16.253 -10.05341 30.41258 
1 1 1  -21   14   17 o   45.396   14.067   8.2452   28.071 -28.5306   91.248   12.089   29.502   53.742   23.903   37.050   14.838 16.69103 28.13342 
1 1 1  -21   14   19 o  256.297   16.251  1254.02  132.006  1075.19  237.959  1333.52  158.657  240.382   28.008  272.212   16.490 -31.82999 32.50190 
1 1 1  -21   14   21 o  431.610   16.678  3414.67  236.954  3445.63  419.169  3400.13  287.255  430.008   27.580  433.211   18.761 -3.203369 33.35584 
1 1 1  -21   14   23 o  495.579   16.239  4426.87  268.235  4796.23  471.427  4250.04  326.181  507.541   26.280  483.617   19.083 23.92380 32.47730 
1 1 1  -21   14   25 o  460.283   17.861  3988.99  268.296  3837.04  474.825  4060.25  325.182  448.927   29.925  471.639   19.507 -22.71173 35.72189 
1 1 1  -21   14   27 o  518.500   17.351  4918.30  299.137  5367.12  528.298  4706.50  362.920  530.983   28.150  506.017   20.292 24.96628 34.70141 
1 1 1  -21   14   29 o  224.762   15.764  955.084  109.024  915.268  211.656  969.463  127.196  218.462   27.412  231.062   15.575 -12.60011 31.52729 
1 1 1  -21   14   31 o  204.113   13.965  747.924   92.401  848.034  172.465  707.618  109.432  211.448   23.077  196.779   15.734 14.66861 27.93047 
1 1 1  -21   14   33 o  240.948   17.450  1169.16  130.106  1046.67  243.133  1218.31  154.013  225.731   30.474  256.164   17.011 -30.43347 34.90046 
1 1 1  -21   14   35 o  149.121   16.517  416.818   87.056   0.0000   0.0000  416.818   87.056  ?   ?   149.121   16.517      ?      ? 
1 1 1  -21   15    2 o  148.423   20.191  419.030  102.861  296.392  142.268  553.357  148.894  123.167   32.287  173.679   24.256 -50.51205 40.38299 
1 1 1  -21   15    4 o  341.698   25.586  2149.25  309.004  2149.25  309.004   0.0000   0.0000  341.698   25.586  ?   ?       ?      ? 
1 1 1  -21   15    6 o  350.032   25.687  2255.37  317.788  2255.37  317.788   0.0000   0.0000  350.032   25.687  ?   ?       ?      ? 
1 1 1  -21   15   14 o  104.666   23.203  207.810   83.582   0.0000   0.0000  207.810   83.582  ?   ?   104.666   23.203      ?      ? 
1 1 1  -21   15   16 o   76.520   21.647  109.731   61.170   0.0000   0.0000  109.731   61.170  ?   ?    76.520   21.647      ?      ? 
1 1 1  -21   15   18 o  104.601   16.740  197.249   61.889   0.0000   0.0000  197.249   61.889  ?   ?   104.601   16.740      ?      ? 
1 1 1  -21   15   20 o  341.571   17.423  2109.67  210.345   0.0000   0.0000  2109.67  210.345  ?   ?   341.571   17.423      ?      ? 
1 1 1  -21   15   22 o  507.653   16.636  4688.88  281.151  4997.59  493.218  4540.28  342.191  516.235   27.032  499.072   19.399 17.16299 33.27217 
1 1 1  -21   15   24 o  402.130   18.756  2950.43  266.583   0.0000   0.0000  2950.43  266.583  ?   ?   402.130   18.756      ?      ? 
1 1 1  -21   15   26 o  148.246   14.709  378.599   67.029  463.778  138.625  352.608   76.575  156.978   24.985  139.514   15.529 17.46436 29.41806 
1 1 1  -21   15   28 o  320.936   14.369  1820.77  151.946  2169.43  278.264  1672.65  181.373  339.463   23.192  302.410   16.969 37.05292 28.73730 
1 1 1  -21   15   30 o   57.063   17.469   6.0021   59.568   15.805  110.380   1.9738   70.756   63.604   27.315   50.522   21.785 13.08275 34.93866 
1 1 1  -21   15   32 o  251.599   16.374  1248.40  131.103  1176.89  238.826  1279.25  156.848  241.044   28.033  262.153   16.928 -21.10925 32.74728 
1 1 1  -21   15   34 o   97.343   18.410  189.433   53.981  213.555  128.474  184.262   59.487   97.397   32.141   97.288   17.962 0.1091614 36.81969 
1 1 1  -21   16    1 o  160.024   20.208  484.291  109.700  341.973  148.985  652.823  162.127  131.822   32.243  188.225   24.370 -56.40283 40.41676 
1 1 1  -21   16    3 o  118.134   22.825  275.621   97.562  292.558  127.055  251.286  152.298  122.646   29.640  113.623   34.719 9.023163 45.65028 
1 1 1  -21   16    5 o   66.136   20.951   78.782   54.922   0.0000   0.0000   78.782   54.922  ?   ?    66.136   20.951      ?      ? 
1 1 1  -21   16    7 o  319.142   16.072  1925.35  166.047  1697.11  291.328  2035.17  202.085  302.257   27.270  336.026   17.015 -33.76889 32.14304 
1 1 1  -21   16    9 o   66.579   17.060   71.494   47.971   31.595  101.364   83.010   54.456   65.707   27.059   67.451   20.786 -1.744583 34.12080 
1 1 1  -21   16   11 o  252.103   16.598  1160.79  147.457  1241.13  219.102  1094.27  199.364  259.885   23.853  244.321   23.087 15.56393 33.19598 
1 1 1  -21   16   13 o  201.154   20.987  805.561  137.018  560.779  204.762  1004.04  184.382  168.075   35.578  234.233   22.272 -66.15790 41.97367 
1 1 1  -21   16   15 o   98.209   23.192  183.942   79.216   0.0000   0.0000  183.942   79.216  ?   ?    98.209   23.192      ?      ? 
1 1 1  -21   16   17 o  152.051   22.200  424.315  119.308   0.0000   0.0000  424.315  119.308  ?   ?   152.051   22.200      ?      ? 
1 1 1  -21   16   19 o  185.298   22.430  632.392  146.897   0.0000   0.0000  632.392  146.897  ?   ?   185.298   22.430      ?      ? 
1 1 1  -21   16   21 o  395.789   25.913  2936.96  362.492   0.0000   0.0000  2936.96  362.492  ?   ?   395.789   25.913      ?      ? 
1 1 1  -21   16   23 o  257.005   23.382  1231.16  212.393   0.0000   0.0000  1231.16  212.393  ?   ?   257.005   23.382      ?      ? 
1 1 1  -21   16   25 o  104.210   20.242  206.819   71.870   0.0000   0.0000  206.819   71.870  ?   ?   104.210   20.242      ?      ? 
1 1 1  -21   16   27 o  221.874   17.390  904.908  136.370   0.0000   0.0000  904.908  136.370  ?   ?   221.874   17.390      ?      ? 
1 1 1  -21   16   29 o   90.544   18.534  179.114   60.251   91.555  133.956  201.319   67.459   78.837   31.601  102.251   19.375 -23.41452 37.06804 
1 1 1  -21   16   31 o   89.349   20.880  162.783   74.515  187.842  123.666  148.498   93.368   93.729   31.549   84.969   27.359 8.760452 41.75970 
1 1 1  -21   16   33 o  120.258   12.293  265.087   52.250   0.0000   0.0000  265.087   52.250  ?   ?   120.258   12.293      ?      ? 
1 1 1  -21   17    2 f  164.037   14.432  465.917   79.282  572.622  141.351  416.940   95.763  176.404   22.671  151.670   17.864 24.73441 28.86351 
1 1 1  -21   17    4 o  186.493   18.255  637.805  119.423  547.030  159.305  754.266  180.441  171.374   26.300  201.612   25.322 -30.23744 36.50925 
1 1 1  -21   17    6 o  231.052   18.358  1059.34  134.220  816.147  233.253  1179.72  164.112  206.961   31.887  255.143   18.199 -48.18188 36.71500 
1 1 1  -21   17    8 o  390.902   16.642  2855.08  213.597  2698.63  372.747  2931.57  260.634  379.677   27.777  402.127   18.338 -22.44937 33.28387 
1 1 1  -21   17   10 o  148.613   18.459  418.024   92.296  411.711  146.769  422.154  118.704  145.538   29.542  151.689   22.141 -6.151306 36.91776 
1 1 1  -21   17   12 o  150.836   14.435  384.371   71.004  498.960  134.667  340.249   83.563  164.537   23.157  137.135   17.240 27.40195 28.86971 
1 1 1  -21   17   14 o  287.835   25.783  1545.06  262.300   0.0000   0.0000  1545.06  262.300  ?   ?   287.835   25.783      ?      ? 
1 1 1  -21   17   16 o  243.228   16.097  1137.66  124.781  977.377  222.612  1211.10  150.678  227.711   27.659  258.745   16.476 -31.03424 32.19490 
1 1 1  -21   17   18 o  116.944   17.748  238.546   68.213  361.992  121.256  181.392   82.507  136.993   25.994   96.894   24.172 40.09920 35.49574 
1 1 1  -21   17   20 o   84.900   31.215  121.540  123.043  121.540  123.043   0.0000   0.0000   84.900   31.215  ?   ?       ?      ? 
1 1 1  -21   17   30 o  112.493   23.469  257.312   90.296   0.0000   0.0000  257.312   90.296  ?   ?   112.493   23.469      ?      ? 
1 1 1  -21   17   32 o  124.029   23.773  318.632  100.420   0.0000   0.0000  318.632  100.420  ?   ?   124.029   23.773      ?      ? 
1 1 1  -21   18    1 o  102.588   17.691  224.291   64.078  116.566  118.197  269.130   76.257   83.561   30.614  121.615   17.741 -38.05331 35.38258 
1 1 1  -21   18    3 f  256.969   15.405  1249.82  129.900  1121.15  223.383  1315.56  159.673  244.532   25.846  269.406   16.769 -24.87401 30.80927 
1 1 1  -21   18    5 o  352.686   17.041  2392.47  196.042  2075.93  336.727  2554.78  241.121  330.673   28.811  374.699   18.207 -44.02618 34.08171 
1 1 1  -21   18    7 o  319.678   14.824  1895.86  156.995  1816.69  270.657  1936.00  192.731  312.388   24.513  326.967   16.677 -14.57880 29.64867 
1 1 1  -21   18    9 o  221.050   16.837  945.220  119.128  806.629  210.329  1010.68  144.548  206.102   28.873  235.998   17.329 -29.89618 33.67467 
1 1 1  -21   18   11 o  175.085   15.164  561.977   88.944  572.113  152.442  556.745  109.518  175.157   24.624  175.014   17.705 0.1429901 30.32825 
1 1 1  -21   18   13 o  134.335   21.594  355.066  100.684  282.517  137.021  440.212  148.441  118.738   31.948  149.932   29.061 -31.19424 43.18838 
1 1 1  -21   18   15 o   58.098   24.813   7.3239   90.174   7.3239   90.174   0.0000   0.0000   58.098   24.813  ?   ?       ?      ? 
1 1 1  -21   18   17 o  281.213   17.775  1487.30  176.114  1334.92  244.037  1652.91  254.413  265.602   25.996  296.824   24.250 -31.22226 35.55092 
1 1 1  -21   18   19 o  128.877   22.360  333.135  100.752  288.774  134.014  390.804  152.798  119.139   31.387  138.615   31.856 -19.47665 44.72089 
1 1 1  -21   18   21 o  146.431   21.135  433.413  105.621  451.292  147.190  414.433  151.651  150.277   28.759  142.584   30.978 7.693375 42.26978 
1 1 1  -21   18   23 o  289.544   18.316  1624.91  187.408  1584.75  263.736  1665.86  266.353  285.720   26.116  293.369   25.688 -7.649506 36.63203 
1 1 1  -21   18   25 o   59.030   16.024   53.930   41.032   8.3420  100.223   63.110   44.974   59.572   25.807   58.488   19.003 1.084064 32.04855 
1 1 1  -21   18   27 o  151.236   18.195  460.125   93.205  476.131  146.762  449.306  120.662  150.618   28.615  151.854   22.481 -1.236267 36.38990 
1 1 1  -21   18   29 o  108.678   18.801  244.382   69.006  281.276  117.651  225.033   85.200  112.978   29.238  104.378   23.643 8.599335 37.60125 
1 1 1  -21   19    2 o  129.345   20.703  313.688   90.500  244.686  113.135  436.298  150.810  110.726   28.679  147.964   29.866 -37.23869 41.40671 
1 1 1  -21   19    4 o  176.721   14.654  548.331   88.449  693.810  150.663  471.824  109.259  193.191   22.065  160.250   19.290 32.94150 29.30819 
1 1 1  -21   19    6 o  184.438   16.429  693.276   92.855  494.147  156.238  802.019  115.458  158.489   28.958  210.388   15.527 -51.89857 32.85831 
1 1 1  -21   19    8 o  164.783   16.308  493.251   94.979   0.0000   0.0000  493.251   94.979  ?   ?   164.783   16.308      ?      ? 
1 1 1  -21   19   10 o  203.881   18.352  765.659  130.421  642.468  169.071  946.684  204.952  184.174   25.973  223.588   25.935 -39.41373 36.70421 
1 1 1  -21   19   12 o  127.155   21.683  300.467   93.690  229.143  115.440  438.108  160.367  107.021   29.547  147.289   31.741 -40.26801 43.36531 
1 1 1  -21   19   14 o  144.134   25.925  404.665  127.213  404.665  127.213   0.0000   0.0000  144.134   25.925  ?   ?       ?      ? 
1 1 1  -21   19   16 o  128.144   21.873  323.140   95.438  283.957  119.881  390.950  157.706  118.722   28.852  137.565   32.882 -18.84322 43.74570 
1 1 1  -21   19   18 o   56.868   25.211 -17.6332  100.709   0.0000   0.0000 -17.6332  100.709  ?   ?    56.868   25.211      ?      ? 
1 1 1  -21   19   20 o   94.904   16.795  188.130   55.911  127.847  102.005  214.019   66.847   82.201   28.624  107.608   17.576 -25.40673 33.58920 
1 1 1  -21   19   22 o   58.494   14.341   54.345   32.348   77.562   65.075   46.725   37.280   65.587   22.861   51.402   17.322 14.18492 28.68243 
1 1 1  -21   19   24 o  102.616   15.438  195.936   50.223  247.013   94.456  175.804   59.301  109.917   24.892   95.314   18.268 14.60299 30.87553 
1 1 1  -21   19   26 o   48.451   12.725   10.231   17.349   95.867   64.671   3.5903   18.009   69.708   22.795   27.194   11.320 42.51366 25.45058 
1 1 1  -21   19   28 o  118.256   16.807  294.952   63.080  269.609  114.561  305.979   75.567  109.654   29.083  126.858   16.854 -17.20419 33.61346 
1 1 1  -21   20    1 o   26.338   11.866 -11.2608   23.287   0.0000   0.0000 -11.2608   23.287  ?   ?    26.338   11.866      ?      ? 
1 1 1  -21   20    3 o  119.430   18.088  189.593   69.841   99.272   78.662  525.896  151.788   73.652   25.160  165.209   25.995 -91.55710 36.17677 
1 1 1  -21   20    5 o   79.316   16.065  129.529   51.810   41.201   88.458  175.653   63.922   62.830   25.505   95.801   19.540 -32.97049 32.12980 
1 1 1  -21   20    7 o  201.363   17.700  754.676  124.007  601.315  162.589  967.956  191.738  176.926   26.000  225.800   24.025 -48.87404 35.40083 
1 1 1  -21   20    9 o   77.960   19.701   79.980   65.209   37.568   77.102  186.542  122.214   59.320   23.905   96.601   31.322 -37.28091 39.40218 
1 1 1  -21   20   11 o  100.342   21.981  194.154   84.408  154.938  106.776  259.490  137.823   89.042   29.298  111.642   32.777 -22.59972 43.96277 
1 1 1  -21   20   15 o  120.451   15.369  275.213   61.244  289.293  102.991  267.510   76.175  120.700   24.966  120.202   17.930 0.4976501 30.73716 
1 1 1  -21   20   17 o   67.595   16.081   84.251   50.276   2.4735   87.059  125.170   61.583   55.354   24.016   79.835   21.392 -24.48138 32.16161 
1 1 1  -21   20   19 f  136.004   17.000  385.319   72.485  309.555  125.916  422.870   88.646  121.022   29.667  150.986   16.611 -29.96406 34.00059 
1 1 1  -21   20   21 o   73.882   15.938  103.854   41.991  117.078   80.688   98.942   49.174   76.780   25.478   70.984   19.156 5.795021 31.87632 
1 1 1  -21   20   23 o  130.750   14.428  335.839   61.147  328.022  103.953  339.975   75.610  126.641   24.105  134.859   15.863 -8.218658 28.85624 
1 1 1  -21   20   25 o  125.321   17.796  366.913   72.922  215.882  123.302  448.153   90.432   96.856   31.465  153.785   16.637 -56.92889 35.59284 
1 1 1  -21   21    2 o   69.371   15.256   93.796   41.745   75.596   64.481  106.928   54.773   64.857   22.748   73.886   20.334 -9.029770 30.51136 
1 1 1  -21   21    4 o   69.898   19.061   79.235   61.798   93.808   69.789   26.312  132.996   70.570   23.701   69.226   29.858 1.344185 38.12150 
1 1 1  -21   21    6 o   68.027   12.241   69.797   30.532  157.692   54.496   29.587   36.860   90.794   17.618   45.260   16.999 45.53389 24.48160 
1 1 1  -21   21    8 o  126.548   13.875  320.058   56.174  252.047   91.587  361.073   71.123  112.531   23.772  140.564   14.316 -28.03345 27.74990 
1 1 1  -21   21   10 o  199.144   14.543  745.086   99.133  775.803  162.594  726.912  125.068  200.778   22.912  197.510   17.916 3.267944 29.08519 
1 1 1  -21   21   12 o  114.938   16.865  245.155   68.514   0.0000   0.0000  245.155   68.514  ?   ?   114.938   16.865      ?      ? 
1 1 1  -21   21   14 f  214.849   13.190  840.569   97.540  994.378  161.523  752.285  122.372  228.860   19.968  200.837   17.239 28.02319 26.38050 
1 1 1  -21   21   16 o   82.379   16.538  138.840   49.687  123.783   83.161  147.200   61.962   78.648   25.855   86.110   20.630 -7.461937 33.07643 
1 1 1  -21   21   18 o  135.082   16.701  388.536   72.282  285.100  117.362  451.750   91.748  114.942   28.915  155.222   16.723 -40.27995 33.40242 
1 1 1  -21   21   20 o   92.683   16.757  187.094   55.526  135.439   92.298  216.392   69.512   80.671   27.255  104.694   19.503 -24.02297 33.51428 
1 1 1  -21   21   22 o  124.751   16.451  335.685   65.442  265.091  111.597  372.684   80.791  109.148   28.588  140.353   16.286 -31.20521 32.90142 
1 1 1  -21   22    1 o   54.989   12.533   52.899   27.104   75.016   44.994   40.302   33.956   62.087   18.849   47.891   16.524 14.19565 25.06679 
1 1 1  -21   22    3 o   58.465   12.298   57.683   27.300   98.663   46.041   35.463   33.902   70.814   18.273   46.115   16.463 24.69824 24.59515 
1 1 1  -21   22    5 o   72.506   18.574  102.914   63.441  135.946   70.753 -32.5696  143.292   81.651   23.345   63.362   28.896 18.28825 37.14827 
1 1 1  -21   22    7 o   79.964   14.096  131.383   38.882  107.152   66.534  143.951   47.916   73.309   23.039   86.619   16.248 -13.30976 28.19247 
1 1 1  -21   22    9 o   79.037   14.246  108.673   39.864  192.370   68.867   66.496   48.887   98.474   20.455   59.600   19.835 38.87425 28.49229 
1 1 1  -21   22   11 o  117.651   16.738  259.879   69.600   0.0000   0.0000  259.879   69.600  ?   ?   117.651   16.738      ?      ? 
1 1 1  -21   22   13 o  105.596   14.564  212.891   50.804  259.963   85.452  187.156   63.184  113.621   22.074   97.570   19.005 16.05124 29.12833 
1 1 1  -21   22   15 o  165.046   13.840  511.965   78.685  593.137  129.584  464.557   99.032  173.995   21.071  156.098   17.950 17.89717 27.68034 
1 1 1  -21   22   17 o   94.128   16.478  183.406   52.560  187.428   90.375  181.350   64.611   93.134   26.300   95.121   19.859 -1.986549 32.95564 
1 1 1  -20    0    2 o  207.610   16.461  794.995  165.309  794.995  165.309  794.995  165.309  207.610   23.280  207.610   23.280 -0.000000 0.000000 
1 1 1  -20    0    4 o  292.028   11.636  1526.31  168.611  1526.31  168.611  1526.31  168.611  292.028   16.455  292.028   16.455 -0.000000 0.000000 
1 1 1  -20    0    6 o  150.841   11.366  416.782   83.245  416.782   83.245  416.782   83.245  150.841   16.074  150.841   16.074 -0.000000 0.000000 
1 1 1  -20    0    8 o  431.830   12.856  3325.86  276.376  3325.86  276.376  3325.86  276.376  431.830   18.181  431.830   18.181 -0.000000 0.000000 
1 1 1  -20    0   10 o   37.621   12.774   36.870   27.737   36.870   27.737   36.870   27.737   37.621   18.066   37.621   18.066 -0.000000 0.000000 
1 1 1  -20    0   12 o   31.843   12.010   25.761   25.996   25.761   25.996   25.761   25.996   31.843   16.985   31.843   16.985 -0.000000 0.000000 
1 1 1  -20    0   14 o  514.915   13.805  4730.85  354.160  4730.85  354.160  4730.85  354.160  514.915   19.524  514.915   19.524 -0.000000 0.000000 
1 1 1  -20    0   16 o  248.083   11.382  1105.58  139.781  1105.58  139.781  1105.58  139.781  248.083   16.097  248.083   16.097 -0.000000 0.000000 
1 1 1  -20    0   18 o  879.299   27.083 14074.72  1185.21 14074.72  1185.21 14074.72  1185.21  879.299   38.302  879.299   38.302 -0.000000 0.000000 
1 1 1  -20    0   20 o  423.550   12.808  3206.54  270.035  3206.54  270.035  3206.54  270.035  423.550   18.114  423.550   18.114 -0.000000 0.000000 
1 1 1  -20    0   22 o   96.827   12.154  181.344   53.296  181.344   53.296  181.344   53.296   96.827   17.188   96.827   17.188 -0.000000 0.000000 
1 1 1  -20    0   24 o  124.805   18.548  312.288  101.884  312.288  101.884  312.288  101.884  124.805   26.232  124.805   26.232 -0.000000 0.000000 
1 1 1  -20    0   26 o  119.626   11.282  267.456   64.099  267.456   64.099  267.456   64.099  119.626   15.955  119.626   15.955 -0.000000 0.000000 
1 1 1  -20    0   28 o  410.637   12.866  3022.25  262.902  3022.25  262.902  3022.25  262.902  410.637   18.195  410.637   18.195 -0.000000 0.000000 
1 1 1  -20    0   30 o   31.011   12.467   22.288   30.075   22.288   30.075   22.288   30.075   31.011   17.632   31.011   17.632 -0.000000 0.000000 
1 1 1  -20    0   32 o  152.310   17.834  448.805  124.581  448.805  124.581  448.805  124.581  152.310   25.222  152.310   25.222 -0.000000 0.000000 
1 1 1  -20    0   34 o  517.610   20.075  4903.08  515.823  4903.08  515.823  4903.08  515.823  517.610   28.391  517.610   28.391 -0.000000 0.000000 
1 1 1  -20    0   36 o  423.750   18.717  3293.99  392.895  3293.99  392.895  3293.99  392.895  423.750   26.470  423.750   26.470 -0.000000 0.000000 
1 1 1  -20    0   38 o  293.133   17.212  1590.12  248.186  1590.12  248.186  1590.12  248.186  293.133   24.341  293.133   24.341 -0.000000 0.000000 
1 1 1  -20    0   40 o  202.592   17.160  779.132  167.172  779.132  167.172  779.132  167.172  202.592   24.268  202.592   24.268 -0.000000 0.000000 
1 1 1  -20    0   42 o   36.738   15.370   28.902   48.671   28.902   48.671   28.902   48.671   36.738   21.736   36.738   21.736 -0.000000 0.000000 
1 1 1  -20    0   44 o   38.368   15.872   34.453   50.873   34.453   50.873   34.453   50.873   38.368   22.447   38.368   22.447 -0.000000 0.000000 
1 1 1  -20    1    1 o  271.357   11.383  1310.56  109.145  1347.02  154.424  1274.18  154.284  275.154   15.879  267.561   16.315 7.592682 22.76635 
1 1 1  -20    1    3 o  475.611   13.249  4033.08  222.699  3978.17  314.961  4087.97  314.927  472.345   18.866  478.878   18.607 -6.532166 26.49765 
1 1 1  -20    1    5 o  393.585   12.282  2757.72  170.838  2794.65  241.655  2720.82  241.548  396.237   17.255  390.931   17.482 5.306122 24.56317 
1 1 1  -20    1    7 o  292.120   11.490  1518.35  118.536  1590.08  167.720  1446.76  167.551  299.059   15.867  285.180   16.623 13.87894 22.98040 
1 1 1  -20    1    9 o  354.570   12.072  2237.58  151.283  2228.46  213.996  2246.70  213.898  353.841   17.111  355.298   17.033 -1.456635 24.14363 
1 1 1  -20    1   11 o  203.080   11.088  733.606   79.549  707.092  112.430  760.187  112.570  199.382   15.954  206.778   15.403 -7.395691 22.17615 
1 1 1  -20    1   13 o  245.213   11.153  1069.88   96.657  1060.91  136.750  1078.83  136.638  244.178   15.845  246.247   15.699 -2.069199 22.30566 
1 1 1  -20    1   15 o  463.065   13.237  3828.91  216.652  3849.33  306.437  3808.50  306.347  464.312   18.673  461.819   18.768 2.493500 26.47491 
1 1 1  -20    1   17 o  411.088   12.694  3017.65  184.438  3008.98  260.855  3026.31  260.813  410.491   17.979  411.685   17.924 -1.193878 25.38783 
1 1 1  -20    1   19 o  434.333   12.989  3373.46  199.394  3405.58  281.986  3341.34  281.986  436.426   18.281  432.241   18.458 4.184479 25.97849 
1 1 1  -20    1   21 o  300.853   11.661  1616.36  123.993  1636.16  175.517  1596.64  175.189  302.708   16.405  298.998   16.578 3.710663 23.32243 
1 1 1  -20    1   23 o  537.607   20.298  5285.75  385.686  5324.59  545.108  5246.81  545.777  539.665   28.578  535.549   28.833 4.115906 40.59671 
1 1 1  -20    1   25 o  359.398   12.215  2313.94  155.157  2292.46  219.470  2335.40  219.379  357.706   17.359  361.089   17.189 -3.382477 24.42982 
1 1 1  -20    1   27 o  157.919   11.002  446.147   61.367  464.478   86.777  427.809   86.796  161.204   15.230  154.634   15.881 6.570099 22.00375 
1 1 1  -20    1   29 o  407.391   12.564  2981.99  180.855  3069.90  255.897  2894.27  255.639  413.486   17.510  401.295   18.024 12.19061 25.12864 
1 1 1  -20    1   31 o  111.933   11.585  225.339   45.653  247.507   64.459  203.028   64.667  117.557   15.514  106.309   17.210 11.24828 23.17058 
1 1 1  -20    1   33 o  166.964   13.640  508.825   75.100  490.991  131.120  517.532   91.617  164.048   22.614  169.881   15.258 -5.833160 27.28025 
1 1 1  -20    1   35 o  542.725   17.395  5352.65  315.911  5675.42  548.044  5192.03  386.604  551.354   28.123  534.096   20.480 17.25818 34.78992 
1 1 1  -20    1   37 o   67.177   15.316   77.542   43.997   34.668   63.204  117.850   61.284   55.532   21.885   78.823   21.433 -23.29048 30.63183 
1 1 1  -20    1   39 o  429.208   19.077  3501.68  289.355  3566.43  409.427  3437.06  408.993  433.455   26.725  424.962   27.230 8.493744 38.15333 
1 1 1  -20    1   41 o  281.112   17.165  1508.49  170.507  1472.70  240.983  1544.37  241.284  277.520   24.568  284.705   23.978 -7.185150 34.32988 
1 1 1  -20    1   43 f  225.055   17.091  995.682  135.626  927.188  192.249  1063.55  191.361  216.426   25.132  233.683   23.169 -17.25740 34.18240 
1 1 1  -20    1   45 o  295.191   18.266  1805.16  190.545  1841.00  269.861  1769.52  269.085  298.543   25.575  291.839   26.087 6.704193 36.53226 
1 1 1  -20    2    2 o  271.708   11.433  1313.79  109.788  1301.51  155.370  1326.03  155.157  270.430   16.255  272.986   16.081 -2.555817 22.86537 
1 1 1  -20    2    4 o  120.613   10.984  258.756   46.804  250.571   66.344  266.865   66.038  118.700   15.814  122.526   15.249 -3.825752 21.96831 
1 1 1  -20    2    6 o  579.109   14.550  5988.78  297.815  5946.30  421.250  6031.22  421.099  577.034   20.655  581.185   20.500 -4.151001 29.10081 
1 1 1  -20    2    8 o  582.146   14.675  6052.96  301.940  6076.83  427.046  6029.11  426.969  583.305   20.714  580.986   20.793 2.318420 29.34952 
1 1 1  -20    2   10 o  292.926   11.539  1526.85  119.452  1499.94  169.037  1553.69  168.826  290.329   16.473  295.523   16.163 -5.194031 23.07829 
1 1 1  -20    2   12 o  145.004   11.057  374.344   56.576  400.031   80.205  348.904   79.818  149.989   15.129  140.018   16.129 9.971405 22.11415 
1 1 1  -20    2   14 o  338.767   12.034  2045.91  144.006  2126.22  203.754  1965.75  203.558  345.466   16.687  332.067   17.344 13.39917 24.06787 
1 1 1  -20    2   16 o  513.449   13.823  4715.26  250.839  4673.85  354.813  4756.63  354.666  511.166   19.639  515.731   19.457 -4.564514 27.64528 
1 1 1  -20    2   18 o  219.927   10.828  861.624   84.165  862.682  119.144  860.570  118.910  220.061   15.318  219.793   15.307 0.2681732 21.65527 
1 1 1  -20    2   20 o  581.221   14.780  6069.80  303.416  6328.96  429.184  5810.85  429.006  593.829   20.449  568.612   21.347 25.21722 29.56038 
1 1 1  -20    2   22 f  594.492   18.381  6432.59  363.199  6373.65  628.769  6462.10  444.936  589.669   30.169  599.316   21.005 -9.647705 36.76119 
1 1 1  -20    2   24 o  451.864   16.452  3713.67  246.777  3751.06  302.314  3639.01  427.218  457.168   18.709  446.560   27.068 10.60770 32.90436 
1 1 1  -20    2   26 o  483.531   13.528  4204.22  231.193  4225.47  327.017  4182.98  326.897  484.772   19.086  482.289   19.177 2.482910 27.05611 
1 1 1  -20    2   28 o  373.470   12.510  2504.49  165.112  2554.02  233.618  2455.06  233.390  377.216   17.523  369.725   17.860 7.491394 25.02040 
1 1 1  -20    2   30 o  442.697   15.892  3537.59  234.499  3620.67  407.134  3496.35  286.860  444.625   25.907  440.768   18.414 3.857452 31.78449 
1 1 1  -20    2   32 o  112.027   12.737  212.697   47.604  267.570   85.901  188.376   57.189  121.582   19.990  102.472   15.790 19.11026 25.47375 
1 1 1  -20    2   34 o  424.546   15.771  3276.59  222.861  3339.20  387.307  3245.60  272.491  425.252   25.769  423.840   18.190 1.412109 31.54185 
1 1 1  -20    2   36 o   75.379   13.967  101.941   34.708  118.879   66.247   95.533   40.749   79.368   22.554   71.390   16.483 7.977104 27.93477 
1 1 1  -20    2   38 o  262.758   14.359  1275.69  124.647  1242.91  217.018  1291.82  152.269  258.406   23.761  267.110   16.129 -8.704163 28.71836 
1 1 1  -20    2   40 o  164.707   16.662  513.757   96.226  447.122  136.864  578.894  135.317  153.328   25.255  176.086   21.742 -22.75764 33.32479 
1 1 1  -20    2   42 o  261.449   24.101  1322.44  222.709   0.0000   0.0000  1322.44  222.709  ?   ?   261.449   24.101      ?      ? 
1 1 1  -20    2   44 o  167.846   16.881  562.382   99.751  619.842  142.170  506.669  139.993  177.219   22.698  158.474   24.994 18.74481 33.76176 
1 1 1  -20    3    1 o  260.154   11.396  1205.19  104.763  1175.24  148.288  1235.04  148.027  256.901   16.331  263.407   15.900 -6.506287 22.79294 
1 1 1  -20    3    3 o  276.286   14.449  1382.09  131.693  1313.04  229.161  1416.15  160.920  270.485   23.971  282.087   16.140 -11.60236 28.89789 
1 1 1  -20    3    5 o   80.951   12.140  121.044   33.661  126.470   47.928  115.762   47.287   82.800   16.948   79.102   17.387 3.698212 24.28063 
1 1 1  -20    3    7 o  236.844   11.270  998.020   94.318  970.080  133.379  1025.97  133.392  233.506   16.161  240.182   15.713 -6.675858 22.54085 
1 1 1  -20    3    9 o  382.757   12.297  2612.09  166.093  2783.48  235.095  2441.29  234.688  395.401   16.822  370.112   17.941 25.28946 24.59380 
1 1 1  -20    3   11 o  281.730   11.429  1413.06  113.750  1463.43  161.025  1362.88  160.710  286.777   15.886  276.683   16.434 10.09415 22.85721 
1 1 1  -20    3   13 o  163.054   10.723  473.011   61.791  480.484   87.415  465.548   87.357  164.349   15.049  161.758   15.280 2.590942 21.44593 
1 1 1  -20    3   15 o  421.763   12.815  3176.61  190.964  3280.08  270.235  3073.41  269.892  428.693   17.835  414.834   18.408 13.85898 25.63059 
1 1 1  -20    3   17 o  778.411   17.552 10933.46  482.677 11308.34  682.685 10558.74  682.532  792.032   24.387  764.789   25.250 27.24213 35.10391 
1 1 1  -20    3   19 o  608.377   14.975  6648.25  321.972  6563.47  455.408  6732.96  455.266  604.434   21.317  612.320   21.036 -7.885498 29.94908 
1 1 1  -20    3   21 o  362.534   12.237  2350.46  156.801  2339.04  221.768  2361.87  221.733  361.643   17.350  363.425   17.262 -1.781952 24.47458 
1 1 1  -20    3   23 o  218.039   13.816  860.782   99.919  874.169  122.438  834.089  172.889  221.234   15.658  214.844   22.768 6.389465 27.63269 
1 1 1  -20    3   25 o  437.506   18.502  3491.46  286.039  3583.98  405.345  3399.70  403.702  443.436   25.863  431.576   26.466 11.86017 37.00417 
1 1 1  -20    3   27 o  570.294   17.995  5915.55  341.649  5987.45  592.555  5879.75  418.151  569.873   29.419  570.714   20.730 -0.8411865 35.98905 
1 1 1  -20    3   29 o  109.371   14.435  222.431   50.317  213.632   90.186  226.408   60.631  106.246   24.515  112.497   15.249 -6.250664 28.87049 
1 1 1  -20    3   31 o  288.991   16.858  1525.27  171.998  1451.89  244.175  1597.54  242.319  281.826   24.513  296.156   23.150 -14.33029 33.71656 
1 1 1  -20    3   33 o  230.805   13.569  947.382  104.661  1014.77  182.763  914.498  127.667  235.991   21.911  225.618   16.010 10.37302 27.13717 
1 1 1  -20    3   35 o  579.497   18.271  6209.69  351.945  6268.33  610.724  6180.54  430.643  576.890   29.952  582.104   20.931 -5.213379 36.54129 
1 1 1  -20    3   37 o   79.458   11.302   87.076   30.268  218.702   58.639   39.269   35.339  110.158   15.061   48.758   16.855 61.40047 22.60368 
1 1 1  -20    3   39 o  604.190   32.099  7168.48  685.463   0.0000   0.0000  7168.48  685.463  ?   ?   604.190   32.099      ?      ? 
1 1 1  -20    3   41 o  212.313   14.120  838.087   99.125  852.265  173.911  831.265  120.639  211.605   23.253  213.021   16.023 -1.416336 28.23907 
1 1 1  -20    3   43 o  168.682   16.725  558.740   99.699  572.441  142.366  545.555  139.664  170.757   23.589  166.608   23.718 4.149109 33.45090 
1 1 1  -20    3   45 o  235.051   17.608  1138.75  146.254  1128.65  207.902  1148.64  205.783  233.647   25.176  236.454   24.623 -2.807266 35.21513 
1 1 1  -20    4    2 o  311.217   11.846  1725.74  130.298  1718.76  184.415  1732.70  184.124  310.582   16.800  311.853   16.705 -1.270935 23.69132 
1 1 1  -20    4    4 o  351.893   11.988  2206.02  149.101  2228.10  211.040  2184.01  210.683  353.663   16.883  350.123   17.025 3.540314 23.97696 
1 1 1  -20    4    6 o  271.967   11.458  1316.56  110.139  1320.83  156.062  1312.33  155.460  272.406   16.209  271.528   16.199 0.8771667 22.91590 
1 1 1  -20    4    8 o  596.518   14.984  6368.22  315.756  6605.67  446.696  6131.09  446.397  607.770   20.795  585.265   21.580 22.50446 29.96846 
1 1 1  -20    4   10 o  285.756   11.737  1454.40  118.538  1437.09  167.808  1471.65  167.467  284.043   16.715  287.469   16.482 -3.426697 23.47474 
1 1 1  -20    4   12 f  157.232   11.252  440.155   62.527  444.110   88.716  436.251   88.140  157.936   15.893  156.529   15.932 1.406555 22.50319 
1 1 1  -20    4   14 f  284.959   11.494  1447.24  115.720  1496.93  163.880  1397.82  163.426  289.876   15.995  280.042   16.511 9.833954 22.98849 
1 1 1  -20    4   16 o  703.726   16.340  8911.89  406.208  9243.13  574.638  8581.04  574.292  717.032   22.674  690.420   23.534 26.61163 32.68005 
1 1 1  -20    4   18 o  750.710   17.140 10174.53  454.526 10557.04  642.924  9792.33  642.669  765.117   23.775  736.303   24.695 28.81427 34.27939 
1 1 1  -20    4   20 o  150.940   10.844  407.665   57.603  366.202   81.753  448.546   81.177  143.218   16.150  158.663   14.476 -15.44496 21.68829 
1 1 1  -20    4   22 o  371.393   15.329  2482.85  189.692  2475.49  232.391  2497.55  328.370  371.793   17.685  370.993   25.043 0.7995911 30.65739 
1 1 1  -20    4   24 f  248.897   13.906  1110.53  115.090  1125.41  200.466  1103.22  140.563  249.402   22.742  248.392   16.011 1.010178 27.81232 
1 1 1  -20    4   26 o  243.739   14.338  1092.08  114.716  1011.70  199.778  1131.62  140.119  235.960   23.955  251.518   15.762 -15.55759 28.67511 
1 1 1  -20    4   28 o  267.158   14.388  1300.98  126.922  1252.46  220.974  1324.86  155.049  262.354   23.831  271.962   16.130 -9.608490 28.77638 
1 1 1  -20    4   30 o  238.261   14.210  1035.56  111.453  997.427  195.145  1054.02  135.776  233.985   23.597  242.536   15.839 -8.550934 28.41948 
1 1 1  -20    4   32 o  181.323   14.350  613.762   84.480  548.058  148.319  645.313  102.781  172.946   24.264  189.701   15.329 -16.75523 28.70095 
1 1 1  -20    4   34 o  396.624   18.080  2907.71  253.298  3033.72  359.509  2783.50  356.941  405.484   25.085  387.764   26.044 17.71939 36.16010 
1 1 1  -20    4   36 o  275.397   14.060  1360.26  129.289  1457.30  226.011  1313.06  157.626  281.236   22.737  269.558   16.545 11.67737 28.11958 
1 1 1  -20    4   38 o  199.783   13.926  727.930   92.221  746.153  161.718  719.149  112.263  200.344   22.838  199.222   15.943 1.121735 27.85271 
1 1 1  -20    4   40 o  407.625   15.984  3125.98  215.837  3129.78  375.468  3124.11  263.775  403.344   26.338  411.906   18.118 -8.562012 31.96783 
1 1 1  -20    4   42 o  179.632   12.831  575.467   76.764  689.101  137.731  524.263   92.455  190.566   20.449  168.699   15.506 21.86745 25.66292 
1 1 1  -20    4   44 o  318.005   18.797  2097.05  209.676  1846.66  296.992  2345.88  296.063  295.713   28.415  340.296   24.615 -44.58362 37.59463 
1 1 1  -20    5    1 o  219.264   11.031  857.300   85.347  803.523  121.012  910.524  120.389  212.356   16.123  226.172   15.060 -13.81573 22.06255 
1 1 1  -20    5    3 o  383.997   12.284  2631.15  166.596  2520.56  235.843  2741.28  235.361  375.862   17.753  392.132   16.982 -16.27008 24.56734 
1 1 1  -20    5    5 o  239.305   11.255  1019.99   95.156  991.173  134.954  1048.48  134.192  235.913   16.185  242.698   15.644 -6.785172 22.50957 
1 1 1  -20    5    7 o  253.104   11.065  1141.86   98.804  1067.25  140.120  1215.65  139.344  244.805   16.194  261.404   15.082 -16.59889 22.12957 
1 1 1  -20    5    9 o  110.982   11.113  219.372   43.571  214.652   62.161  223.931   61.091  109.792   16.019  112.172   15.409 -2.379669 22.22701 
1 1 1  -20    5   11 o  216.527   11.377  835.683   86.997  798.568  123.262  872.522  122.803  211.693   16.474  221.362   15.696 -9.669800 22.75428 
1 1 1  -20    5   13 o  313.574   11.874  1753.46  131.597  1756.41  186.337  1750.53  185.877  313.835   16.799  313.312   16.785 0.5235901 23.74748 
1 1 1  -20    5   15 o  228.632   11.203  932.465   90.377  998.309  128.141  867.293  127.486  236.733   15.315  220.530   16.356 16.20322 22.40655 
1 1 1  -20    5   17 o  220.535   10.802  866.880   84.164  897.183  119.359  836.913  118.696  224.396   15.049  216.674   15.499 7.721741 21.60345 
1 1 1  -20    5   19 o  301.196   14.373  1624.05  143.963  1644.54  250.697  1613.97  175.848  301.798   23.502  300.594   16.551 1.204681 28.74571 
1 1 1  -20    5   21 o   90.534   22.331  153.655   71.012   0.0000   0.0000  153.655   71.012  ?   ?    90.534   22.331      ?      ? 
1 1 1  -20    5   23 o  436.286   16.632  3521.86  238.253  3238.75  413.535  3662.52  291.493  420.746   27.808  451.826   18.253 -31.08038 33.26364 
1 1 1  -20    5   25 o  142.985   16.649  379.173   81.384  324.604  116.137  431.825  114.079  131.281   25.949  154.688   20.865 -23.40681 33.29755 
1 1 1  -20    5   27 o  133.278   12.916  307.828   57.430  354.105  102.176  286.455   69.437  140.024   20.646  126.533   15.526 13.49160 25.83227 
1 1 1  -20    5   29 o  438.903   16.439  3538.36  238.367  3403.95  414.040  3605.00  291.526  430.275   27.226  447.531   18.430 -17.25702 32.87720 
1 1 1  -20    5   31 o  351.381   14.886  2229.43  174.035  2275.76  303.002  2206.62  212.601  352.543   24.317  350.219   17.175 2.323425 29.77109 
1 1 1  -20    5   33 o  345.471   15.475  2208.68  175.730  2087.43  306.482  2268.07  214.490  336.194   25.793  354.749   17.107 -18.55441 30.94986 
1 1 1  -20    5   35 o  622.888   19.058  7198.19  395.086  7380.66  686.210  7107.71  483.211  623.154   31.156  622.622   21.958 0.5322876 38.11624 
1 1 1  -20    5   37 o  153.306   16.460  477.980   76.120  356.225  134.950  534.794   92.184  134.490   29.225  172.122   15.153 -37.63141 32.91974 
1 1 1  -20    5   39 o  179.224   14.275  596.123   83.528  590.429  149.064  598.730  100.849  176.992   23.829  181.455   15.725 -4.463211 28.54936 
1 1 1  -20    5   41 o   59.069   14.029   60.440   30.949   62.970   64.548   59.684   35.268   61.803   22.626   56.336   16.592 5.466206 28.05785 
1 1 1  -20    5   43 o  113.278   13.873  227.435   50.344  310.313   94.626  194.712   59.458  124.578   22.310  101.978   16.496 22.59984 27.74621 
1 1 1  -20    6    2 o  395.201   11.907  2791.45  165.832  2551.64  234.738  3030.37  234.308  378.061   17.567  412.341   16.077 -34.27951 23.81346 
1 1 1  -20    6    4 o  435.669   12.780  3390.04  196.746  3309.16  278.440  3470.70  278.042  430.421   18.303  440.918   17.842 -10.49725 25.55998 
1 1 1  -20    6    6 o  264.684   11.772  1248.92  110.119  1273.67  156.101  1224.39  155.367  267.312   16.522  262.056   16.774 5.256439 23.54480 
1 1 1  -20    6    8 o   97.160   10.393  167.946   35.611  168.306   52.144  167.630   48.750   97.236   15.173   97.084   14.207 0.1520920 20.78575 
1 1 1  -20    6   10 o  883.925   18.994 14129.41  593.396 14259.13  839.388 13999.82  838.990  888.070   26.742  879.779   26.981 8.290588 37.98853 
1 1 1  -20    6   12 f  627.089   18.594  7065.25  388.948  7245.48  674.886  6975.63  475.936  630.739   30.273  623.438   21.599 7.300842 37.18862 
1 1 1  -20    6   14 o  490.105   16.839  4339.49  274.005  4297.02  475.727  4360.56  335.186  486.646   27.658  493.565   19.214 -6.918671 33.67733 
1 1 1  -20    6   16 o  477.115   17.099  4175.15  268.721  3920.88  466.754  4301.22  328.652  464.134   28.453  490.095   18.973 -25.96078 34.19846 
1 1 1  -20    6   18 o  311.588   14.891  1764.22  153.209  1692.63  266.608  1799.52  187.208  305.818   24.666  317.358   16.690 -11.53958 29.78155 
1 1 1  -20    6   20 o  537.948   20.078  5201.82  381.753   0.0000   0.0000  5201.82  381.753  ?   ?   537.948   20.078      ?      ? 
1 1 1  -20    6   22 o  321.375   14.535  1846.97  155.434  1900.08  271.312  1821.03  189.640  323.789   23.708  318.961   16.822 4.827881 29.06925 
1 1 1  -20    6   24 o  553.566   17.805  5572.08  327.784  5608.32  568.998  5554.08  401.009  552.103   29.159  555.029   20.442 -2.926331 35.61042 
1 1 1  -20    6   26 o  280.205   16.440  1425.48  162.773  1474.32  232.300  1378.37  228.148  284.979   23.063  275.431   23.436 9.548462 32.88082 
1 1 1  -20    6   28 o  390.670   15.033  2714.18  196.565  2916.18  342.437  2614.92  240.053  399.928   24.226  381.412   17.807 18.51605 30.06628 
1 1 1  -20    6   30 o  348.123   14.748  2171.06  171.179  2277.18  298.812  2119.23  208.844  352.975   23.952  343.271   17.213 9.703278 29.49539 
1 1 1  -20    6   32 o  426.074   15.415  3241.22  219.773  3521.94  383.810  3104.27  268.072  437.597   24.815  414.551   18.296 23.04599 30.83089 
1 1 1  -20    6   34 o  796.011   25.587 11746.67  719.870   0.0000   0.0000 11746.67  719.870  ?   ?   796.011   25.587      ?      ? 
1 1 1  -20    6   36 o  194.370   13.107  651.505   84.516  795.985  153.592  588.759  101.218  208.228   20.869  180.512   15.865 27.71556 26.21490 
1 1 1  -20    6   38 o  197.609   16.394  786.457  100.382  595.604  179.055  873.935  121.223  175.756   28.824  219.461   15.628 -43.70575 32.78833 
1 1 1  -20    6   40 o  315.161   15.534  1893.84  160.288  1825.11  281.658  1926.75  194.931  306.823   25.973  323.499   17.049 -16.67581 31.06811 
1 1 1  -20    6   42 o  163.025   17.581  567.339   84.663  444.807  155.107  619.339  101.043  143.250   31.493  182.801   15.639 -39.55077 35.16218 
1 1 1  -20    6   44 o  167.034   17.040  566.289  100.177  602.800  150.089  536.956  134.529  171.198   24.804  162.871   23.370 8.327438 34.07931 
1 1 1  -20    7    1 o  134.090   14.492  332.454   62.888  343.783   77.789  311.078  106.850  138.851   15.851  129.329   24.267 9.522873 28.98477 
1 1 1  -20    7    3 o  401.005   12.352  2871.83  175.062  2874.37  247.942  2869.32  247.209  401.177   17.486  400.833   17.449 0.3438721 24.70318 
1 1 1  -20    7    5 o  265.311   11.382  1256.06  106.623  1199.37  151.524  1311.65  150.063  259.313   16.532  271.309   15.649 -11.99606 22.76439 
1 1 1  -20    7    7 o  390.662   12.550  2727.81  173.030  2905.68  245.256  2551.53  244.151  403.477   17.198  377.847   18.282 25.62970 25.09991 
1 1 1  -20    7    9 o  496.646   16.295  4374.77  270.683  4634.17  470.938  4246.80  330.783  506.135   26.326  487.157   19.211 18.97842 32.58990 
1 1 1  -20    7   11 o  127.814   15.465  312.108   61.405  266.211  110.371  332.683   73.897  118.980   26.880  136.648   15.301 -17.66754 30.92953 
1 1 1  -20    7   13 o  466.052   16.538  3927.38  255.646  3875.73  444.335  3952.93  312.560  462.158   27.202  469.946   18.818 -7.788269 33.07643 
1 1 1  -20    7   15 o  366.110   14.662  2368.87  179.559  2527.31  312.902  2291.08  219.253  374.201   23.658  358.019   17.327 16.18146 29.32462 
1 1 1  -20    7   17 f  488.232   16.745  4293.56  272.106  4351.32  472.853  4264.96  332.717  488.863   27.366  487.601   19.306 1.262848 33.49089 
1 1 1  -20    7   19 o  333.819   17.022  1993.86  200.842   0.0000   0.0000  1993.86  200.842  ?   ?   333.819   17.022      ?      ? 
1 1 1  -20    7   21 o  453.450   16.147  3689.82  244.194  3813.48  424.627  3628.72  298.489  457.374   26.267  449.526   18.787 7.847198 32.29425 
1 1 1  -20    7   23 o  216.846   15.819  841.055  121.242   0.0000   0.0000  841.055  121.242  ?   ?   216.846   15.819      ?      ? 
1 1 1  -20    7   25 o  411.527   15.281  3014.71  210.363  3218.94  366.368  2914.26  256.939  420.306   24.662  402.748   18.050 17.55737 30.56180 
1 1 1  -20    7   27 o  354.185   17.567  2290.59  219.889  2280.81  312.837  2300.15  309.136  353.342   25.050  355.027   24.636 -1.684875 35.13420 
1 1 1  -20    7   29 o  250.313   14.622  1148.15  119.652  1098.74  211.720  1171.33  145.033  245.097   24.440  255.529   16.059 -10.43170 29.24379 
1 1 1  -20    7   31 o  490.143   19.424  4454.89  336.154  4705.47  477.595  4208.87  473.221  504.365   26.791  475.920   28.133 28.44464 38.84870 
1 1 1  -20    7   33 o  113.571   16.386  256.499   57.435  206.702  109.854  275.232   67.378  103.413   28.923  123.728   15.407 -20.31477 32.77125 
1 1 1  -20    7   35 o  246.799   14.151  1096.75  115.115  1160.74  205.682  1067.57  138.907  250.534   23.228  243.064   16.169 7.469772 28.30143 
1 1 1  -20    7   37 o  367.913   15.437  2486.91  188.040  2580.74  331.089  2442.24  228.463  369.982   25.319  365.843   17.669 4.138397 30.87434 
1 1 1  -20    7   39 o  235.705   14.223  1010.13  110.081  1104.67  199.204  968.566  132.079  241.339   23.353  230.071   16.242 11.26822 28.44648 
1 1 1  -20    7   41 o   63.572   15.523   64.911   52.350 -86.7023   97.717  125.943   61.998   47.467   22.385   79.676   21.512 -32.20930 31.04628 
1 1 1  -20    7   43 o  172.575   23.327  597.357  142.287   0.0000   0.0000  597.357  142.287  ?   ?   172.575   23.327      ?      ? 
1 1 1  -20    8    2 o   81.620   14.308  125.645   38.007  114.023   73.110  129.949   44.492   79.175   24.025   84.065   15.547 -4.889389 28.61679 
1 1 1  -20    8    4 o  289.792   15.050  1541.39  142.672  1418.90  249.727  1600.74  173.835  280.100   25.225  299.485   16.423 -19.38495 30.09994 
1 1 1  -20    8    6 o   59.613   13.705   57.957   28.855   65.354   62.356   55.941   32.549   63.866   22.372   55.359   15.836 8.507008 27.40946 
1 1 1  -20    8    8 o  330.054   14.621  1939.35  160.617  2002.03  280.571  1908.79  195.891  333.161   23.827  326.947   16.952 6.214325 29.24188 
1 1 1  -20    8   10 o   65.135   13.966   82.247   36.139   18.454   71.205  104.383   41.943   55.204   22.700   75.066   16.278 -19.86142 27.93290 
1 1 1  -20    8   12 o  315.335   15.017  1802.58  156.067  1743.94  273.188  1830.99  190.151  310.500   24.893  320.169   16.803 -9.668243 30.03370 
1 1 1  -20    8   14 o  175.028   13.792  541.190   79.322  572.377  142.805  527.275   95.391  178.161   22.678  171.894   15.701 6.266846 27.58311 
1 1 1  -20    8   16 o  141.775   15.465  358.752   77.494   0.0000   0.0000  358.752   77.494  ?   ?   141.775   15.465      ?      ? 
1 1 1  -20    8   18 o  426.696   16.143  3303.28  228.211  3254.86  397.207  3327.13  278.825  422.651   26.590  430.740   18.315 -8.088531 32.28680 
1 1 1  -20    8   20 o  231.000   15.899  963.751  129.710  1012.78  187.217  918.486  179.879  236.666   22.381  225.333   22.586 11.33365 31.79700 
1 1 1  -20    8   22 o  396.753   14.633  2740.57  195.462  3166.17  341.298  2532.85  238.436  417.868   23.109  375.639   17.959 42.22910 29.26661 
1 1 1  -20    8   24 o  485.588   16.551  4238.33  268.188  4424.63  466.793  4146.54  327.666  491.354   26.879  479.822   19.321 11.53162 33.10246 
1 1 1  -20    8   26 o  545.424   17.358  5368.81  315.798  5607.81  549.898  5251.20  385.752  551.643   28.204  539.204   20.241 12.43921 34.71516 
1 1 1  -20    8   28 o  333.237   17.124  1995.92  201.689   0.0000   0.0000  1995.92  201.689  ?   ?   333.237   17.124      ?      ? 
1 1 1  -20    8   30 o  267.354   15.628  1351.37  134.027  1178.70  238.288  1431.27  162.098  252.517   26.699  282.192   16.252 -29.67570 31.25641 
1 1 1  -20    8   32 o  196.640   15.971  749.192   97.761  614.700  178.821  806.523  116.753  181.496   27.876  211.784   15.597 -30.28784 31.94296 
1 1 1  -20    8   34 o  131.056   16.975  338.780   66.145  292.182  129.306  355.294   76.979  121.735   30.198  140.377   15.515 -18.64207 33.95083 
1 1 1  -20    8   36 o  603.689   22.923  7123.52  488.950  6990.77  694.875  7253.71  688.133  597.216   32.920  610.161   31.909 -12.94525 45.84604 
1 1 1  -20    8   38 o  484.376   20.727  4601.27  354.674  4521.46  505.867  4678.45  497.410  479.344   29.859  489.407   28.756 -10.06268 41.45384 
1 1 1  -20    8   40 o  224.780   17.195  981.013  136.185  1021.40  202.075  947.403  184.334  228.384   25.034  221.175   23.580 7.209167 34.39068 
1 1 1  -20    8   42 o   42.958   13.384   8.7208   29.219 -45.3415   86.266   15.727   31.055   47.694   21.998   38.222   15.252 9.472626 26.76820 
1 1 1  -20    9    1 o  339.158   16.678  2056.10  199.921   0.0000   0.0000  2056.10  199.921  ?   ?   339.158   16.678      ?      ? 
1 1 1  -20    9    3 o  137.845   16.639  382.912   69.915  271.478  124.071  434.762   84.632  119.576   29.531  156.115   15.338 -36.53853 33.27703 
1 1 1  -20    9    5 o  109.550   16.032  244.579   56.221  159.919  100.998  282.589   67.675   93.218   28.227  125.882   15.210 -32.66351 32.06465 
1 1 1  -20    9    7 o  153.263   15.714  453.184   74.206  370.014  131.293  492.224   89.952  140.396   27.442  166.130   15.319 -25.73357 31.42859 
1 1 1  -20    9    9 o  509.651   18.611  4898.74  307.826  4213.96  534.472  5238.64  376.551  478.978   31.571  540.325   19.717 -61.34729 37.22242 
1 1 1  -20    9   11 o  392.492   15.889  2795.68  205.933  2725.68  359.759  2829.80  251.150  387.376   26.276  397.608   17.871 -10.23236 31.77757 
1 1 1  -20    9   13 o  186.551   14.112  625.338   85.813  624.760  154.573  625.596  103.172  185.896   23.526  187.205   15.593 -1.308670 28.22398 
1 1 1  -20    9   15 o  403.743   15.704  2936.63  210.537  2957.99  366.990  2926.15  257.043  403.390   25.740  404.097   17.997 -0.7071838 31.40764 
1 1 1  -20    9   17 o  164.346   15.905  517.669   79.886  439.662  144.864  551.758   95.763  152.933   27.825  175.758   15.416 -22.82439 31.81019 
1 1 1  -20    9   19 o  420.567   25.883  3224.72  384.744   0.0000   0.0000  3224.72  384.744  ?   ?   420.567   25.883      ?      ? 
1 1 1  -20    9   21 o  413.323   16.110  3121.96  219.847  3021.30  383.140  3171.37  268.436  406.400   26.674  420.247   18.072 -13.84695 32.21956 
1 1 1  -20    9   23 o  327.085   14.219  1881.88  155.499  2079.25  273.180  1787.28  189.129  338.485   22.834  315.685   16.951 22.80026 28.43819 
1 1 1  -20    9   25 o  352.333   14.283  2167.76  168.543  2475.58  296.977  2021.51  204.703  369.143   22.762  335.523   17.262 33.62012 28.56684 
1 1 1  -20    9   27 o  295.976   23.693  1599.00  247.850   0.0000   0.0000  1599.00  247.850  ?   ?   295.976   23.693      ?      ? 
1 1 1  -20    9   29 f  313.132   15.340  1791.33  157.060  1768.53  279.970  1801.81  189.727  309.881   25.562  316.383   16.967 -6.502289 30.68044 
1 1 1  -20    9   31 o  278.768   14.920  1415.30  135.936  1421.42  243.553  1412.53  163.828  277.550   24.827  279.985   16.555 -2.434906 29.84072 
1 1 1  -20    9   33 o  118.779   19.778  287.342   83.652  188.247  135.072  348.999  106.544   99.742   32.958  137.816   21.873 -38.07373 39.55609 
1 1 1  -20    9   35 o  540.680   20.510  5595.82  390.999  6067.42  557.103  5138.00  548.899  564.666   27.914  516.693   30.057 47.97333 41.01945 
1 1 1  -20    9   37 o  330.202   17.915  2077.08  208.922  2124.76  302.652  2033.67  288.758  333.493   25.677  326.912   24.991 6.580841 35.83062 
1 1 1  -20    9   39 o  242.932   17.285  1141.35  147.999  1194.69  219.300  1096.73  200.558  247.574   25.062  238.290   23.813 9.283661 34.57099 
1 1 1  -20    9   41 o  384.629   15.737  2818.61  200.401  3151.51  357.313  2665.83  242.055  394.511   25.625  374.746   18.275 19.76468 31.47429 
1 1 1  -20   10    2 o  400.101   16.278  2948.48  213.874  2739.31  372.361  3051.46  261.270  387.533   27.185  412.668   17.913 -25.13501 32.55639 
1 1 1  -20   10    4 o  133.454   16.773  367.251   67.686  242.378  121.948  422.850   81.371  112.956   30.029  153.952   14.954 -40.99641 33.54616 
1 1 1  -20   10    6 o  322.949   14.848  1894.80  158.254  1827.32  276.023  1927.85  193.152  317.527   24.595  328.371   16.642 -10.84381 29.69645 
1 1 1  -20   10    8 f  201.576   15.978  725.829  113.833   0.0000   0.0000  725.829  113.833  ?   ?   201.576   15.978      ?      ? 
1 1 1  -20   10   10 o  277.679   15.491  1435.62  139.865  1268.58  244.365  1517.00  170.567  264.079   26.181  291.280   16.568 -27.20081 30.98280 
1 1 1  -20   10   12 o  160.497   18.629  548.822   87.989  323.901  156.367  653.042  106.440  129.796   33.764  191.198   15.751 -61.40211 37.25747 
1 1 1  -20   10   14 o   86.997   11.576  107.068   32.036  233.746   64.374   65.367   36.935  114.357   15.927   59.637   16.803 54.72001 23.15196 
1 1 1  -20   10   16 o  177.368   15.143  596.257   85.832  496.207  151.639  643.424  104.117  164.987   26.004  189.749   15.525 -24.76172 30.28573 
1 1 1  -20   10   18 o  149.013   16.174  397.366   85.184   0.0000   0.0000  397.366   85.184  ?   ?   149.013   16.174      ?      ? 
1 1 1  -20   10   20 o  255.454   16.155  1242.73  131.596  1034.78  233.152  1339.94  159.417  237.414   27.785  273.494   16.492 -36.08008 32.31085 
1 1 1  -20   10   22 o  132.575   15.762  325.522   63.711  320.489  121.691  327.422   74.779  129.898   27.369  135.253   15.643 -5.354980 31.52408 
1 1 1  -20   10   24 o  193.200   14.139  661.013   88.794  707.601  163.345  641.472  105.790  197.167   23.440  189.234   15.817 7.932907 28.27715 
1 1 1  -20   10   26 o   74.703   16.095  105.669   42.179   67.608   94.264  115.197   47.163   70.872   27.053   78.535   17.445 -7.663940 32.18952 
1 1 1  -20   10   28 o  211.169   16.113  808.659  119.816  901.480  178.261  732.171  161.820  222.167   22.702  200.171   22.872 21.99571 32.22585 
1 1 1  -20   10   30 o  244.126   24.877  1100.05  214.655  1100.05  214.655   0.0000   0.0000  244.126   24.877  ?   ?       ?      ? 
1 1 1  -20   10   32 o  432.457   18.786  3496.37  287.004  3649.90  411.124  3350.42  400.841  441.934   26.321  422.981   26.812 18.95239 37.57206 
1 1 1  -20   10   34 o  252.229   17.002  1185.15  151.269  1228.77  222.426  1147.61  206.333  256.246   24.559  248.212   23.519 8.034470 34.00439 
1 1 1  -20   10   36 o  281.540   15.163  1479.05  138.276  1475.18  250.389  1480.74  165.861  278.243   25.461  284.838   16.475 -6.594421 30.32614 
1 1 1  -20   10   38 o  293.941   15.169  1621.42  145.378  1682.58  262.443  1594.35  174.616  294.038   25.253  293.843   16.813 0.1950378 30.33795 
1 1 1  -20   10   40 o  364.505   17.039  2655.66  200.749  2577.72  358.505  2691.26  242.299  351.888   28.825  377.123   18.178 -25.23489 34.07828 
1 1 1  -20   11    1 o  339.335   15.903  2135.83  176.370  1935.92  307.487  2233.85  215.309  325.585   26.720  353.085   17.253 -27.50018 31.80632 
1 1 1  -20   11    3 o  141.854   17.126  414.917   73.144  275.042  130.506  478.978   88.319  119.947   30.665  163.760   15.259 -43.81308 34.25191 
1 1 1  -20   11    5 o  224.836   15.167  967.174  108.767  771.807  190.193  1062.12  132.588  205.820   26.145  243.852   15.384 -38.03163 30.33500 
1 1 1  -20   11    7 f  271.357   15.214  1369.42  134.142  1218.09  235.093  1442.47  163.342  258.707   25.710  284.006   16.272 -25.29901 30.42723 
1 1 1  -20   11    9 o  201.172   15.904  723.405  113.085   0.0000   0.0000  723.405  113.085  ?   ?   201.172   15.904      ?      ? 
1 1 1  -20   11   11 o  329.103   15.330  1975.63  166.339  1897.03  290.213  2014.08  202.991  322.868   25.431  335.338   17.127 -12.46945 30.66080 
1 1 1  -20   11   13 o  220.111   15.954  866.447  124.120   0.0000   0.0000  866.447  124.120  ?   ?   220.111   15.954      ?      ? 
1 1 1  -20   11   15 o  363.390   15.853  2430.49  189.176  2275.34  330.013  2506.43  230.874  352.918   26.457  373.862   17.472 -20.94339 31.70540 
1 1 1  -20   11   17 o  473.214   19.122  4029.31  319.816   0.0000   0.0000  4029.31  319.816  ?   ?   473.214   19.122      ?      ? 
1 1 1  -20   11   19 o  286.373   16.790  1490.65  169.900  1518.29  243.690  1464.51  236.999  288.915   23.864  283.832   23.625 5.082397 33.58013 
1 1 1  -20   11   21 o  290.286   15.310  1561.79  144.402  1431.05  255.163  1623.40  175.147  279.649   25.816  300.923   16.467 -21.27463 30.62076 
1 1 1  -20   11   23 o  289.704   14.334  1495.25  137.389  1579.81  243.950  1455.97  166.263  294.527   23.435  284.881   16.512 9.645721 28.66771 
1 1 1  -20   11   25 o  239.222   16.504  1043.07  139.411  1090.27  202.663  1000.67  192.075  244.307   23.470  234.137   23.210 10.16977 33.00874 
1 1 1  -20   11   27 o  206.908   17.026  787.455  123.985  760.515  181.895  810.836  169.449  203.188   25.328  210.628   22.762 -7.439636 34.05294 
1 1 1  -20   11   29 o  309.626   16.776  1759.52  183.158  1935.03  265.383  1599.88  253.101  324.639   23.129  294.612   24.307 30.02661 33.55215 
1 1 1  -20   11   31 o  367.319   18.056  2513.44  234.324  2554.03  336.855  2475.37  326.172  370.026   25.757  364.613   25.310 5.412872 36.11110 
1 1 1  -20   11   33 o   97.003   17.012  184.948   51.087  155.655  113.219  192.437   57.246   90.895   30.181  103.112   15.708 -12.21685 34.02444 
1 1 1  -20   11   35 o  134.372   18.639  371.824   70.631  313.071  152.029  387.997   79.761  122.652   33.927  146.092   15.447 -23.44010 37.27786 
1 1 1  -20   11   37 o  117.389   18.199  286.249   63.355  245.196  135.493  297.737   71.673  107.481   32.727  127.297   15.930 -19.81638 36.39858 
1 1 1  -20   11   39 o   84.475   18.044  129.931   45.613  167.836  122.405  123.819   49.154   89.280   31.341   79.670   17.893 9.610550 36.08880 
1 1 1  -20   12    2 o  368.633   16.172  2545.12  194.054  2235.53  337.418  2698.13  237.209  349.353   27.327  387.912   17.301 -38.55945 32.34303 
1 1 1  -20   12    4 o  157.113   18.485  523.727   86.002  316.651  152.891  619.577  104.019  128.102   33.418  186.123   15.812 -58.02090 36.96978 
1 1 1  -20   12    6 o  167.222   14.513  516.645   78.747  471.069  139.379  538.014   95.439  160.967   24.499  173.478   15.565 -12.51089 29.02526 
1 1 1  -20   12    8 o  250.724   15.174  1174.01  123.534  1031.28  215.908  1243.47  150.625  237.835   25.685  263.613   16.166 -25.77798 30.34870 
1 1 1  -20   12   10 o  205.081   14.674  751.000  106.367   0.0000   0.0000  751.000  106.367  ?   ?   205.081   14.674      ?      ? 
1 1 1  -20   12   12 o  321.971   15.872  1940.68  166.087  1703.98  289.610  2056.68  202.740  305.170   26.850  338.771   16.932 -33.60095 31.74337 
1 1 1  -20   12   14 o  227.222   13.853  926.054  104.079  940.995  183.348  918.951  126.423  227.817   22.770  226.626   15.783 1.190369 27.70563 
1 1 1  -20   12   16 o  234.104   15.436  1027.01  116.649  900.873  205.801  1086.72  141.589  221.896   26.241  246.313   16.264 -24.41649 30.87224 
1 1 1  -20   12   18 o  433.041   19.796  3465.73  301.155  3070.92  428.674  3850.48  423.174  407.461   29.766  458.622   26.106 -51.16110 39.59233 
1 1 1  -20   12   20 o  109.283   27.685  228.070  107.058  228.070  107.058   0.0000   0.0000  109.283   27.685  ?   ?       ?      ? 
1 1 1  -20   12   22 o  513.493   19.980  4873.24  362.505  5033.73  515.366  4716.08  509.996  522.121   27.927  504.866   28.581 17.25580 39.95952 
1 1 1  -20   12   24 o  143.979   23.055  378.528  117.322   0.0000   0.0000  378.528  117.322  ?   ?   143.979   23.055      ?      ? 
1 1 1  -20   12   26 o  165.315   16.404  493.042   95.098  583.227  144.458  424.067  126.334  178.534   22.893  152.097   23.501 26.43706 32.80809 
1 1 1  -20   12   28 o  242.727   17.788  1099.78  151.073  974.625  220.107  1211.26  207.728  228.610   27.241  256.843   22.883 -28.23332 35.57630 
1 1 1  -20   12   30 o  422.589   16.228  3285.24  226.254  3332.29  398.894  3262.93  274.721  421.529   26.774  423.649   18.347 -2.119934 32.45690 
1 1 1  -20   12   32 o  166.703   17.489  542.058   85.356  495.424  167.402  558.442   99.224  157.866   31.108  175.540   15.993 -17.67429 34.97847 
1 1 1  -20   12   34 f  136.589   17.088  345.511   68.660  384.173  141.997  333.714   78.439  137.957   29.978  135.220   16.412 2.736801 34.17672 
1 1 1  -20   12   36 o  203.787   14.014  720.680   92.134  929.938  177.748  643.802  107.737  220.568   22.800  187.006   16.300 33.56171 28.02772 
1 1 1  -20   12   38 o  290.880   17.919  1777.32  161.756  1465.08  291.247  1916.59  194.514  262.176   31.430  319.583   17.221 -57.40674 35.83864 
1 1 1  -20   12   40 o  152.051   20.869  600.510   93.621  333.240  184.480  693.220  108.652  112.557   38.530  191.545   16.049 -78.98840 41.73900 
1 1 1  -20   13    1 o  311.715   12.635  1696.87  131.631  1894.87  232.004  1602.87  159.849  324.027   20.258  299.402   15.106 24.62466 25.26972 
1 1 1  -20   13    3 o   53.028   15.029   27.118   35.317   28.464   81.610   26.808   39.175   60.142   24.466   45.914   17.460 14.22751 30.05743 
1 1 1  -20   13    5 o  320.934   13.343  1746.30  143.804  2201.05  255.786  1536.13  173.887  349.129   20.729  292.738   16.806 56.39124 26.68559 
1 1 1  -20   13    7 o  293.156   14.096  1500.90  137.522  1693.52  244.935  1412.22  166.190  305.611   22.676  280.700   16.751 24.91068 28.19193 
1 1 1  -20   13    9 o  275.947   15.028  1389.85  136.603  1338.23  238.844  1414.94  166.529  270.934   24.942  280.960   16.770 -10.02576 30.05536 
1 1 1  -20   13   11 o  103.910   15.993  213.644   54.043  160.577   97.950  236.870   64.799   92.793   27.731  115.027   15.939 -22.23426 31.98505 
1 1 1  -20   13   13 o  170.339   16.269  527.432   97.834  508.983  139.957  545.060  136.813  167.290   23.670  173.389   22.325 -6.098587 32.53731 
1 1 1  -20   13   15 o  377.277   17.952  2558.31  239.382   0.0000   0.0000  2558.31  239.382  ?   ?   377.277   17.952      ?      ? 
1 1 1  -20   13   17 o  273.117   24.153  1359.93  233.157  1359.93  233.157   0.0000   0.0000  273.117   24.153  ?   ?       ?      ? 
1 1 1  -20   13   19 o  181.927   17.323  611.301  110.040  530.261  160.379  683.388  151.261  169.844   26.716  194.010   22.059 -24.16582 34.64605 
1 1 1  -20   13   21 o  291.126   17.215  1553.07  176.962  1516.01  253.909  1588.08  246.769  287.474   24.990  294.777   23.685 -7.303009 34.43063 
1 1 1  -20   13   23 o  440.949   18.086  3715.99  257.692  3213.24  450.323  3960.77  314.224  413.911   30.782  467.986   18.997 -54.07480 36.17207 
1 1 1  -20   13   25 o  435.600   19.049  3438.19  293.273   0.0000   0.0000  3438.19  293.273  ?   ?   435.600   19.049      ?      ? 
1 1 1  -20   13   27 o  177.992   18.938  675.005   96.458  442.367  177.900  771.877  114.798  148.946   34.475  207.038   15.688 -58.09264 37.87643 
1 1 1  -20   13   29 o  102.700   29.613  206.297  113.403  206.297  113.403   0.0000   0.0000  102.700   29.613  ?   ?       ?      ? 
1 1 1  -20   13   31 o  395.054   14.878  2784.99  196.341  3190.32  347.507  2594.92  237.963  413.038   23.804  377.070   17.855 35.96844 29.75653 
1 1 1  -20   13   33 o  158.888   18.132  486.626   82.139  491.164  171.669  485.278   93.542  154.727   32.428  163.049   16.232 -8.321701 36.26392 
1 1 1  -20   13   35 o  128.342   19.937  374.229   72.418  258.344  168.235  400.586   80.232  108.899   36.797  147.785   15.360 -38.88657 39.87421 
1 1 1  -20   13   37 o  220.189   16.468  905.807  128.158   0.0000   0.0000  905.807  128.158  ?   ?   220.189   16.468      ?      ? 
1 1 1  -20   13   39 o  337.525   13.292  2108.91  158.565   0.0000   0.0000  2108.91  158.565  ?   ?   337.525   13.292      ?      ? 
1 1 1  -20   14    2 o  382.517   17.394  2627.92  235.163   0.0000   0.0000  2627.92  235.163  ?   ?   382.517   17.394      ?      ? 
1 1 1  -20   14    4 o  207.702   14.233  789.436   94.843  752.634  173.290  805.174  113.322  203.240   24.124  212.163   15.112 -8.923767 28.46629 
1 1 1  -20   14    6 o   64.310   16.698   54.025   40.024   80.382   96.743   48.582   43.962   74.172   27.602   54.449   18.801 19.72258 33.39680 
1 1 1  -20   14    8 o  284.730   15.464  1561.18  140.018  1236.39  245.182  1718.37  170.566  259.625   26.719  309.836   15.575 -50.21100 30.92744 
1 1 1  -20   14   10 o  280.578   16.187  1508.22  144.902  1231.31  254.755  1640.65  176.176  258.649   27.867  302.508   16.477 -43.85815 32.37406 
1 1 1  -20   14   12 o  172.749   17.328  547.271  104.906  518.955  156.264  570.504  141.544  168.253   26.277  177.244   22.594 -8.991760 34.65524 
1 1 1  -20   14   14 o  342.300   17.038  2138.14  204.750  2462.83  294.085  1832.69  285.237  368.177   22.599  316.422   25.505 51.75586 34.07665 
1 1 1  -20   14   18 o  106.216   16.828  200.865   64.789  322.121   99.403  111.305   85.429  133.222   21.111   79.211   26.213 54.01140 33.65676 
1 1 1  -20   14   20 o  150.853   18.651  483.027   82.690  312.980  153.744  552.240   98.086  126.322   33.780  175.384   15.823 -49.06249 37.30226 
1 1 1  -20   14   22 o  458.948   18.302  4024.27  272.083  3519.49  474.894  4270.94  331.969  432.389   31.074  485.507   19.346 -53.11795 36.60419 
1 1 1  -20   14   24 o  165.130   17.231  532.894   85.538  455.771  158.862  564.383  101.510  153.246   30.403  177.015   16.225 -23.76929 34.46156 
1 1 1  -20   14   26 o  451.173   17.040  3759.87  254.189  3787.18  445.434  3746.68  309.536  448.736   28.085  453.611   19.307 -4.874634 34.08092 
1 1 1  -20   14   28 o   98.703   16.122  169.095   47.523  221.794  102.753  154.755   53.600  106.476   27.204   90.929   17.310 15.54646 32.24427 
1 1 1  -20   14   30 o  239.401   17.752  1088.31  149.021  977.492  215.862  1189.21  205.982  226.516   26.962  252.285   23.100 -25.76880 35.50470 
1 1 1  -20   14   32 o  188.954   17.147  683.310   99.745  668.545  193.898  688.623  116.316  184.124   29.795  193.785   16.982 -9.661438 34.29497 
1 1 1  -20   14   34 o  181.173   15.393  594.167   86.190  695.324  174.311  561.431   99.161  187.835   26.256  174.511   16.077 13.32397 30.78693 
1 1 1  -20   14   36 o  142.559   16.691  386.409   59.031  436.627  150.156  377.229   64.200  141.479   30.894  143.638   12.646 -2.159592 33.38195 
1 1 1  -20   15    1 o  159.329   21.966  461.417  123.702   0.0000   0.0000  461.417  123.702  ?   ?   159.329   21.966      ?      ? 
1 1 1  -20   15    3 f   52.606   18.427   44.436   42.302   0.0000   0.0000   44.436   42.302  ?   ?    52.606   18.427      ?      ? 
1 1 1  -20   15    5 o   94.381   22.728  168.243   74.911   0.0000   0.0000  168.243   74.911  ?   ?    94.381   22.728      ?      ? 
1 1 1  -20   15    7 o  107.957   31.264  222.657  126.157   0.0000   0.0000  222.657  126.157  ?   ?   107.957   31.264      ?      ? 
1 1 1  -20   15    9 o  402.647   26.349  2977.25  374.979   0.0000   0.0000  2977.25  374.979  ?   ?   402.647   26.349      ?      ? 
1 1 1  -20   15   11 o  368.845   18.229  2497.59  237.396  2368.99  335.505  2626.54  335.952  358.976   26.443  378.713   25.098 -19.73740 36.45780 
1 1 1  -20   15   13 o  276.831   17.559  1405.20  171.586  1484.95  242.696  1325.50  242.622  284.977   24.095  268.684   25.549 16.29385 35.11866 
1 1 1  -20   15   15 o  415.457   17.057  3105.12  250.459   0.0000   0.0000  3105.12  250.459  ?   ?   415.457   17.057      ?      ? 
1 1 1  -20   15   17 o  238.378   17.288  1092.53  130.014  921.589  234.773  1168.14  156.143  222.095   29.908  254.660   17.348 -32.56523 34.57516 
1 1 1  -20   15   19 o  262.834   15.536  1262.43  132.681  1254.44  239.480  1265.97  159.378  260.580   26.002  265.088   17.011 -4.507751 31.07195 
1 1 1  -20   15   21 o  107.175   17.238  210.784   55.114  221.419  120.083  207.947   62.034  106.893   30.362  107.457   16.333 -0.5648880 34.47608 
1 1 1  -20   15   23 o  148.580   16.833  421.881   76.163  392.684  142.730  433.504   90.056  142.151   29.379  155.010   16.437 -12.85881 33.66512 
1 1 1  -20   15   25 o  223.223   13.702  844.664  100.694  1091.93  187.377  744.262  119.399  243.642   21.759  202.804   16.657 40.83783 27.40309 
1 1 1  -20   15   27 o  397.144   17.316  2987.71  224.528  2840.56  395.525  3057.67  272.732  385.375   29.038  408.913   18.871 -23.53839 34.63116 
1 1 1  -20   15   29 o   81.160   18.512  126.331   65.943   30.817  111.127  178.243   81.926   66.819   27.992   95.501   24.232 -28.68142 37.02367 
1 1 1  -20   15   31 o  285.470   18.122  1663.24  161.696  1329.22  287.641  1817.56  195.512  256.936   31.674  314.004   17.616 -57.06830 36.24357 
1 1 1  -20   15   33 f  164.799   18.406  631.151   75.572  399.937  165.914  691.679   84.889  134.357   34.697  195.240   12.302 -60.88313 36.81287 
1 1 1  -20   15   35 o  128.460   10.829  219.405   36.410  464.441  103.179  184.552   38.913  156.076   18.704  100.845   10.918 55.23028 21.65726 
1 1 1  -20   16    2 o   77.810   26.262  105.864   85.693  105.864   85.693   0.0000   0.0000   77.810   26.262  ?   ?       ?      ? 
1 1 1  -20   16    4 o  310.401   25.028  1769.95  274.583  1769.95  274.583   0.0000   0.0000  310.401   25.028  ?   ?       ?      ? 
1 1 1  -20   16   10 o  100.400   23.049  191.051   80.063   0.0000   0.0000  191.051   80.063  ?   ?   100.400   23.049      ?      ? 
1 1 1  -20   16   14 o   86.468   19.563  140.615   58.392   0.0000   0.0000  140.615   58.392  ?   ?    86.468   19.563      ?      ? 
1 1 1  -20   16   16 o   51.299   22.849 -27.5409   83.692   0.0000   0.0000 -27.5409   83.692  ?   ?    51.299   22.849      ?      ? 
1 1 1  -20   16   18 o  105.212   21.335  205.509   86.957  302.240  128.524  123.850  118.088  124.595   29.620   85.828   30.716 38.76695 42.67076 
1 1 1  -20   16   20 o  460.817   19.876  3988.12  322.463  3607.01  456.192  4368.70  455.872  437.424   29.507  484.209   26.637 -46.78531 39.75180 
1 1 1  -20   16   22 o  215.118   18.389  875.513  137.391  716.061  197.770  1024.24  191.006  194.646   28.747  235.590   22.939 -40.94464 36.77747 
1 1 1  -20   16   24 o   71.995   17.781   47.263   66.315  175.824   97.888 -61.7873   90.155   95.167   27.533   48.824   22.508 46.34325 35.56259 
1 1 1  -20   16   26 o  274.770   26.100  1429.85  253.472  1429.85  253.472   0.0000   0.0000  274.770   26.100  ?   ?       ?      ? 
1 1 1  -20   16   28 o  107.717   19.105  204.672   70.411  335.443  124.846  143.675   85.266  129.574   28.072   85.859   25.922 43.71566 38.20960 
1 1 1  -20   16   30 o  199.549   16.821  746.412  117.065  936.881  180.175  607.266  153.999  221.597   23.004  177.502   24.547 44.09492 33.64152 
1 1 1  -20   16   32 o  160.987   16.476  525.176   78.682  471.356  149.341  545.856   92.573  149.981   29.223  171.994   15.228 -22.01311 32.95261 
1 1 1  -20   16   34 o   77.483   11.779   33.791   25.194  283.335   81.920   7.7219   26.477  121.472   19.081   33.493   13.815 87.97849 23.55708 
1 1 1  -20   17    1 o  155.502   19.810  461.041  104.966  480.325  139.363  435.760  159.569  161.464   24.420  149.541   31.199 11.92262 39.62030 
1 1 1  -20   17    3 o  115.274   21.443  262.982   90.548  324.046  122.777  190.160  134.077  129.802   27.611  100.746   32.815 29.05576 42.88561 
1 1 1  -20   17    5 o   93.475   16.676  178.618   56.665   92.807  101.262  217.740   68.373   77.117   28.323  109.833   17.613 -32.71558 33.35292 
1 1 1  -20   17    7 o  342.146   14.893  2141.18  169.661  2101.95  291.907  2161.20  208.493  338.020   24.433  346.272   17.035 -8.252014 29.78578 
1 1 1  -20   17    9 f   71.324   16.778   86.935   46.696   94.959   84.740   83.435   55.958   74.896   26.089   67.751   21.103 7.145485 33.55504 
1 1 1  -20   17   11 o  223.697   25.019  923.122  197.809  923.122  197.809   0.0000   0.0000  223.697   25.019  ?   ?       ?      ? 
1 1 1  -20   17   21 o  233.810   25.585  1024.17  211.427   0.0000   0.0000  1024.17  211.427  ?   ?   233.810   25.585      ?      ? 
1 1 1  -20   17   23 o  214.008   25.610  863.373  193.716   0.0000   0.0000  863.373  193.716  ?   ?   214.008   25.610      ?      ? 
1 1 1  -20   17   25 o   72.991   19.164   85.678   66.292   63.816  100.309  102.631   88.331   69.944   27.568   76.038   26.627 -6.094292 38.32797 
1 1 1  -20   17   27 o  115.479   17.674  261.298   59.999  255.815  129.553  262.795   67.697  111.083   31.531  119.876   15.978 -8.793251 35.34771 
1 1 1  -20   17   29 o  161.491   18.101  515.679   99.220  515.448  153.931  515.844  129.776  158.847   28.463  164.135   22.370 -5.288422 36.20175 
1 1 1  -20   17   31 o  195.113   17.924  763.102  122.934  677.212  172.916  850.883  174.809  182.661   26.784  207.565   23.828 -24.90407 35.84883 
1 1 1  -20   17   33 o  165.982   16.673  552.442   97.397  589.756  146.037  522.547  130.714  170.413   24.246  161.551   22.892 8.861740 33.34561 
1 1 1  -20   18    2 o  182.190   18.641  589.253  109.988  354.897  139.830  969.549  178.124  134.548   30.151  229.832   21.928 -95.28406 37.28111 
1 1 1  -20   18    4 o  120.860   20.757  298.832   93.404  392.966  121.039  160.249  146.861  146.009   23.454   95.711   34.254 50.29781 41.51430 
1 1 1  -20   18    6 o  103.157   14.443  152.741   46.518  316.385   98.184  105.375   52.823  131.554   21.116   74.760   19.710 56.79381 28.88593 
1 1 1  -20   18    8 o  104.837   21.426  215.810   87.578  282.150  117.882  134.086  130.837  120.486   28.183   89.189   32.280 31.29754 42.85183 
1 1 1  -20   18   10 o  164.546   19.568  496.126  109.685  418.937  140.297  617.477  175.911  147.454   27.943  181.638   27.401 -34.18402 39.13578 
1 1 1  -20   18   12 o   83.033   31.989   98.685  132.602   0.0000   0.0000   98.685  132.602  ?   ?    83.033   31.989      ?      ? 
1 1 1  -20   18   16 o  249.049   24.243  1153.06  213.401  1153.06  213.401   0.0000   0.0000  249.049   24.243  ?   ?       ?      ? 
1 1 1  -20   18   18 o  254.900   25.227  1217.15  227.280  1217.15  227.280   0.0000   0.0000  254.900   25.227  ?   ?       ?      ? 
1 1 1  -20   18   22 o  100.933   22.666  197.260   78.881   0.0000   0.0000  197.260   78.881  ?   ?   100.933   22.666      ?      ? 
1 1 1  -20   18   24 o  252.838   23.350  1210.11  208.664   0.0000   0.0000  1210.11  208.664  ?   ?   252.838   23.350      ?      ? 
1 1 1  -20   18   26 o  188.989   22.622  681.037  151.106   0.0000   0.0000  681.037  151.106  ?   ?   188.989   22.622      ?      ? 
1 1 1  -20   18   28 o  258.988   23.905  1312.69  218.822   0.0000   0.0000  1312.69  218.822  ?   ?   258.988   23.905      ?      ? 
1 1 1  -20   18   30 o  260.905   16.481  1277.43  151.976   0.0000   0.0000  1277.43  151.976  ?   ?   260.905   16.481      ?      ? 
1 1 1  -20   19    1 o  283.372   14.985  1495.50  142.334  1425.06  239.290  1534.06  177.063  276.191   24.513  290.553   17.242 -14.36176 29.96938 
1 1 1  -20   19    3 o   57.108   14.777   50.647   37.739   34.223   67.584   58.089   45.492   56.601   22.527   57.614   19.132 -1.012741 29.55497 
1 1 1  -20   19    5 o   51.599   16.327 -17.1667   50.630 -17.7632   57.073 -14.9632  109.696   42.616   18.931   60.581   26.606 -17.96558 32.65407 
1 1 1  -20   19    7 o  183.577   18.386  611.455  117.315  515.266  150.476  760.534  187.333  165.900   25.663  201.254   26.336 -35.35379 36.77160 
1 1 1  -20   19    9 o  139.787   20.623  359.489   96.474  276.839  120.656  505.987  160.637  118.506   29.035  161.068   29.297 -42.56168 41.24684 
1 1 1  -20   19   11 f  137.251   21.200  385.612  101.416  471.636  133.192  266.927  156.447  159.282   23.659  115.220   35.186 44.06125 42.40000 
1 1 1  -20   19   15 f  220.569   17.080  878.625  130.210  669.009  168.743  1187.14  204.717  188.567   25.319  252.571   22.932 -64.00369 34.16029 
1 1 1  -20   19   17 o  115.771   14.734  250.321   55.590  256.744   96.028  247.083   68.175  115.007   24.381  116.534   16.552 -1.527611 29.46854 
1 1 1  -20   19   19 o   61.581   15.529   60.095   37.676   66.294   79.276   58.287   42.821   66.166   24.915   56.995   18.544 9.170494 31.05812 
1 1 1  -20   19   21 o  152.735   14.101  441.546   71.912  407.373  120.530  460.434   89.609  146.700   23.246  158.770   15.968 -12.07047 28.20205 
1 1 1  -20   19   23 o  175.947   14.968  574.696   91.483  740.524  138.131  445.126  122.099  198.980   19.641  152.914   22.592 46.06573 29.93562 
1 1 1  -20   19   25 o  120.145   18.325  297.605   75.312  259.864  112.214  328.540  101.592  111.446   28.404  128.844   23.160 -17.39761 36.64968 
1 1 1  -20   19   27 o  106.725   18.613  249.875   79.656   96.678  120.874  367.477  105.904   76.043   30.170  137.408   21.806 -61.36498 37.22596 
1 1 1  -20   19   29 o   95.196   23.148  187.835   77.131   0.0000   0.0000  187.835   77.131  ?   ?    95.196   23.148      ?      ? 
1 1 1  -20   20    2 o   65.230   17.023 -11.6656   35.244 -31.3012   36.855  198.384  120.540   30.548   14.190   99.912   30.948 -69.36447 34.04597 
1 1 1  -20   20    4 o   89.179   20.636  143.330   67.667  135.372   77.922  167.739  136.462   83.812   24.657   94.545   33.097 -10.73272 41.27182 
1 1 1  -20   20    6 o  110.906   21.829  231.748   80.841  213.311   93.981  284.201  158.519  104.283   25.670  117.529   35.313 -13.24619 43.65746 
1 1 1  -20   20    8 o   65.665   15.547   71.463   40.740   98.732   70.364   57.712   49.966   73.176   23.769   58.154   20.046 15.02207 31.09352 
1 1 1  -20   20   10 o  159.038   14.720  477.942   78.356  434.134  130.146  502.850   98.135  151.917   24.239  166.159   16.710 -14.24205 29.44040 
1 1 1  -20   20   12 o  138.337   17.467  349.889   85.404   0.0000   0.0000  349.889   85.404  ?   ?   138.337   17.467      ?      ? 
1 1 1  -20   20   14 o  221.247   13.716  919.857  101.583  848.215  169.523  959.994  126.887  212.738   22.546  229.755   15.625 -17.01686 27.43106 
1 1 1  -20   20   16 o  146.089   15.655  418.482   73.096  363.747  123.264  448.170   90.780  135.596   26.670  156.583   16.403 -20.98779 31.31064 
1 1 1  -20   20   18 o   81.771   16.625  132.576   48.871  114.793   88.508  140.375   58.616   78.308   26.689   85.234   19.831 -6.926094 33.24964 
1 1 1  -20   20   20 o  106.684   14.693  195.299   52.139  307.111   92.887  143.864   63.000  127.650   20.588   85.718   20.968 41.93235 29.38540 
1 1 1  -20   20   22 o   55.089   13.483   54.547   33.044   11.829   61.388   71.975   39.210   48.899   20.661   61.279   17.330 -12.38038 26.96671 
1 1 1  -20   20   24 o   88.806   14.873  180.547   57.981 -19.3737  100.858  279.230   70.860   55.298   24.823  122.314   16.391 -67.01622 29.74625 
1 1 1  -20   20   26 o  292.351   16.696  1797.39  155.524  1447.03  266.489  1978.35  191.523  260.939   28.895  323.764   16.737 -62.82526 33.39208 
1 1 1  -20   21    1 f   38.473   14.126   21.929   25.185   0.0000   0.0000   21.929   25.185  ?   ?    38.473   14.126      ?      ? 
1 1 1  -20   21    3 o   92.124   18.927  104.145   54.935   61.762   60.211  314.668  134.193   60.932   21.919  123.316   30.862 -62.38358 37.85417 
1 1 1  -20   21    5 o  146.471   12.718  390.683   64.486  420.733  103.549  371.647   82.419  150.486   19.469  142.457   16.369 8.028336 25.43553 
1 1 1  -20   21    7 o   89.524   17.942  152.434   54.793   0.0000   0.0000  152.434   54.793  ?   ?    89.524   17.942      ?      ? 
1 1 1  -20   21    9 o   65.503   13.741   81.519   33.213   74.847   57.054   84.939   40.847   64.251   21.429   66.755   17.204 -2.504272 27.48111 
1 1 1  -20   21   11 o   51.535   13.417   35.357   28.328   58.397   58.149   28.188   32.438   59.580   21.526   43.491   16.022 16.08985 26.83436 
1 1 1  -20   21   13 o   38.428   11.354   11.335   19.407   3.8837   51.863   12.548   20.928   44.185   18.842   32.672   12.675 11.51262 22.70867 
1 1 1  -20   21   15 o  163.229   13.084  486.873   73.010  533.538  121.638  460.593   91.281  168.303   20.448  158.155   16.330 10.14813 26.16858 
1 1 1  -20   21   17 o  199.564   15.506  791.298  101.894  661.065  168.871  865.856  127.774  182.936   26.118  216.192   16.722 -33.25583 31.01220 
1 1 1  -20   21   19 o  108.282   15.604  239.357   56.108  197.824   92.991  263.133   70.358   97.699   26.333  118.865   16.747 -21.16572 31.20700 
1 1 1  -20   21   21 o   56.182   14.223   54.948   34.273   45.226   63.049   59.025   40.833   56.240   21.949   56.124   18.095 0.1162643 28.44621 
1 1 1  -20   21   23 o   60.358   14.176   71.315   37.244   24.194   66.163   93.173   45.062   52.080   21.690   68.636   18.257 -16.55534 28.35103 
1 1 1  -20   22    2 o   57.363   12.675   50.754   28.670   99.124   49.455   26.270   35.186   71.236   19.205   43.490   16.545 27.74616 25.34932 
1 1 1  -20   22    4 o   66.024   18.226   68.886   52.569   81.022   56.808  -3.4468  138.691   65.506   21.361   66.541   29.538 -1.034973 36.45247 
1 1 1  -20   22    6 o  101.043   15.445  202.634   52.786  195.760   82.935  207.314   68.437   98.562   24.025  103.524   19.417 -4.961838 30.89073 
1 1 1  -20   22    8 o   97.883   14.164  173.207   47.956  271.611   77.224  111.439   61.182  120.517   18.129   75.250   21.766 45.26713 28.32753 
1 1 1  -20   22   10 o  149.193   15.120  440.137   74.062  384.974  118.529  475.469   94.859  138.383   25.161  160.004   16.774 -21.62169 30.23930 
1 1 1  -20   22   12 o   82.955   16.950  140.626   53.247  111.740   80.993  162.615   70.666   75.768   25.532   90.142   22.302 -14.37344 33.90080 
1 1 1  -20   22   14 o   70.675   13.711   88.157   33.977  135.058   59.933   65.943   41.246   82.471   20.617   58.878   18.081 23.59264 27.42206 
1 1 1  -20   22   16 o   82.315   14.341  119.624   39.299  187.030   71.930   90.943   46.921   96.568   21.614   68.062   18.856 28.50636 28.68258 
1 1 1  -20   22   18 o   73.835   16.340  111.122   47.637   93.020   74.679  123.541   61.855   69.576   24.476   78.094   21.655 -8.517746 32.68066 
1 1 1  -20   22   20 o  125.399   17.131  334.525   70.818  281.421  115.899  366.165   89.462  112.661   28.950  138.136   18.324 -25.47520 34.26153 
1 1 1  -20   23    1 o   73.373   12.078  103.465   30.643  126.176   46.798   86.418   40.544   80.397   17.000   66.350   17.160 14.04751 24.15561 
1 1 1  -20   23    3 o   38.985   10.679   19.660   21.104   7.7354   34.264   26.949   26.789   37.228   15.565   40.743   14.625 -3.514767 21.35785 
1 1 1  -20   23    5 o   84.995   20.575  157.368   70.505  175.698   77.409   68.142  170.787   92.243   23.636   77.747   33.684 14.49612 41.14946 
1 1 1  -20   23    7 o   59.739   13.777   66.620   33.053   76.680   51.409   59.531   43.154   63.033   20.302   56.445   18.628 6.588467 27.55314 
1 1 1  -20   23    9 o   83.673   13.081  129.893   38.984  198.234   60.696   81.907   50.861  102.631   16.733   64.714   20.112 37.91773 26.16265 
1 1 1  -20   23   11 f   68.153   20.664   92.251   54.100   0.0000   0.0000   92.251   54.100  ?   ?    68.153   20.664      ?      ? 
1 1 1  -20   23   13 o  141.759   14.249  388.215   69.880  404.134  111.335  377.867   89.764  142.863   22.049  140.655   18.056 2.207840 28.49893 
1 1 1  -20   23   15 o  152.024   14.152  456.159   73.003  428.414  118.256  473.244   92.796  146.004   22.916  158.044   16.612 -12.03996 28.30391 
1 1 1  -19    0    1 o  582.906   14.720  6052.12  427.657  6052.12  427.657  6052.12  427.657  582.906   20.818  582.906   20.818 -0.000000 0.000000 
1 1 1  -19    0    3 o  447.643   13.096  3569.96  291.887  3569.96  291.887  3569.96  291.887  447.643   18.521  447.643   18.521 -0.000000 0.000000 
1 1 1  -19    0    5 o  443.820   18.667  3537.88  410.761  3537.88  410.761  3537.88  410.761  443.820   26.399  443.820   26.399 -0.000000 0.000000 
1 1 1  -19    0    7 o  283.283   11.637  1435.63  163.497  1435.63  163.497  1435.63  163.497  283.283   16.457  283.283   16.457 -0.000000 0.000000 
1 1 1  -19    0    9 o  161.382   11.265  474.531   88.838  474.531   88.838  474.531   88.838  161.382   15.931  161.382   15.931 -0.000000 0.000000 
1 1 1  -19    0   11 o   83.218   12.811  138.704   46.694  138.704   46.694  138.704   46.694   83.218   18.118   83.218   18.118 -0.000000 0.000000 
1 1 1  -19    0   13 o  477.736   13.469  4067.21  320.480  4067.21  320.480  4067.21  320.480  477.736   19.049  477.736   19.049 -0.000000 0.000000 
1 1 1  -19    0   15 o  797.199   17.658 11343.56  702.054 11343.56  702.054 11343.56  702.054  797.199   24.972  797.199   24.972 -0.000000 0.000000 
1 1 1  -19    0   17 o  327.717   12.063  1920.48  196.385  1920.48  196.385  1920.48  196.385  327.717   17.060  327.717   17.060 -0.000000 0.000000 
1 1 1  -19    0   19 o  104.417   12.443  209.091   59.403  209.091   59.403  209.091   59.403  104.417   17.597  104.417   17.597 -0.000000 0.000000 
1 1 1  -19    0   21 o  687.458   16.180  8452.78  554.580  8452.78  554.580  8452.78  554.580  687.458   22.882  687.458   22.882 -0.000000 0.000000 
1 1 1  -19    0   25 o  685.705   16.073  8426.26  549.531  8426.26  549.531  8426.26  549.531  685.705   22.731  685.705   22.731 -0.000000 0.000000 
1 1 1  -19    0   27 o   43.334   13.579   48.110   31.026   48.110   31.026   48.110   31.026   43.334   19.204   43.334   19.204 -0.000000 0.000000 
1 1 1  -19    0   29 o  451.065   12.853  3642.35  288.716  3642.35  288.716  3642.35  288.716  451.065   18.177  451.065   18.177 -0.000000 0.000000 
1 1 1  -19    0   31 o  275.696   11.179  1365.21  152.888  1365.21  152.888  1365.21  152.888  275.696   15.809  275.696   15.809 -0.000000 0.000000 
1 1 1  -19    0   33 o  832.135   18.156 12505.86  753.559 12505.86  753.559 12505.86  753.559  832.135   25.677  832.135   25.677 -0.000000 0.000000 
1 1 1  -19    0   35 o   42.230   16.407   44.773   49.949   44.773   49.949   44.773   49.949   42.230   23.203   42.230   23.203 -0.000000 0.000000 
1 1 1  -19    0   37 f  776.185   25.458 11235.77  982.865 11235.77  982.865 11235.77  982.865  776.185   36.003  776.185   36.003 -0.000000 0.000000 
1 1 1  -19    0   39 o  229.932   16.922  987.944  189.663  987.944  189.663  987.944  189.663  229.932   23.931  229.932   23.931 -0.000000 0.000000 
1 1 1  -19    0   41 o   35.493   14.941   25.424   46.492   25.424   46.492   25.424   46.492   35.493   21.129   35.493   21.129 -0.000000 0.000000 
1 1 1  -19    0   43 o   39.915   16.106   38.946   50.433   38.946   50.433   38.946   50.433   39.915   22.777   39.915   22.777 -0.000000 0.000000 
1 1 1  -19    0   45 o   56.995   19.594   91.376   65.501   91.376   65.501   91.376   65.501   56.995   27.711   56.995   27.711 -0.000000 0.000000 
1 1 1  -19    1    2 o  411.462   12.658  3009.69  184.058  3060.95  260.357  2958.47  260.236  414.985   17.751  407.939   18.049 7.045929 25.31511 
1 1 1  -19    1    4 o  200.241   13.304  709.291   88.933  701.941  108.882  724.021  154.145  198.887   15.489  201.595   21.634 -2.708176 26.60705 
1 1 1  -19    1    6 o  310.332   14.658  1750.49  149.875  1610.85  259.226  1820.61  183.688  300.407   24.415  320.258   16.228 -19.85175 29.31572 
1 1 1  -19    1    8 f  245.814   11.184  1072.41   97.164  1065.85  137.497  1078.95  137.325  245.060   15.875  246.569   15.758 -1.509155 22.36747 
1 1 1  -19    1   10 o  157.468   11.001  440.366   61.173  419.897   86.593  460.759   86.432  153.796   15.930  161.139   15.176 -7.343185 22.00153 
1 1 1  -19    1   12 o  511.138   13.742  4651.10  248.228  4732.53  351.084  4569.71  351.012  515.644   19.264  506.633   19.602 9.011688 27.48353 
1 1 1  -19    1   14 o  216.983   11.125  836.597   85.303  819.083  120.683  854.084  120.591  214.700   15.903  219.265   15.561 -4.564728 22.24973 
1 1 1  -19    1   16 o  295.499   11.657  1554.01  121.681  1614.32  172.098  1493.72  172.067  301.272   16.162  289.725   16.803 11.54697 23.31432 
1 1 1  -19    1   18 o  165.051   10.688  484.684   62.315  504.910   88.246  464.568   88.007  168.507   14.817  161.595   15.409 6.912643 21.37687 
1 1 1  -19    1   20 o  468.739   13.394  3927.47  221.898  3916.44  313.827  3938.49  313.795  468.073   18.970  469.405   18.914 -1.331848 26.78760 
1 1 1  -19    1   22 o  303.079   14.110  1610.29  143.939  1764.12  249.019  1533.11  176.391  313.134   22.500  293.025   17.031 20.10892 28.21917 
1 1 1  -19    1   24 o  538.985   17.502  5259.72  313.790  5257.49  543.846  5260.84  384.191  536.701   28.670  541.270   20.082 -4.568420 35.00356 
1 1 1  -19    1   26 o  338.234   12.042  2047.69  143.955  2071.08  203.598  2024.32  203.567  340.190   16.933  336.279   17.127 3.910889 24.08461 
1 1 1  -19    1   28 f  161.973   10.894  468.927   62.360  475.759   88.274  462.122   88.106  163.163   15.307  160.784   15.504 2.378601 21.78716 
1 1 1  -19    1   30 o   96.696   10.740  169.814   35.683  192.028   50.922  148.382   50.017  103.727   13.890   89.665   16.386 14.06190 21.48095 
1 1 1  -19    1   32 o  602.028   18.530  6615.15  371.694  6742.33  644.405  6551.75  455.014  602.702   30.251  601.355   21.408 1.347351 37.05948 
1 1 1  -19    1   34 o  339.417   13.748  2007.47  157.446  2341.27  273.996  1842.92  192.380  358.785   21.607  320.049   17.007 38.73538 27.49697 
1 1 1  -19    1   36 o  421.612   18.619  3295.66  277.395  3365.81  392.362  3225.55  392.229  426.315   26.040  416.909   26.618 9.405731 37.23701 
1 1 1  -19    1   38 f  281.810   16.778  1470.28  167.063  1516.36  236.888  1424.69  235.642  286.377   23.404  277.244   24.048 9.133270 33.55622 
1 1 1  -19    1   40 o  270.716   23.888  1372.28  228.571  1372.28  228.571   0.0000   0.0000  270.716   23.888  ?   ?       ?      ? 
1 1 1  -19    1   42 o  435.106   19.561  3700.36  300.788  3766.24  425.658  3634.65  425.099  439.354   27.411  430.858   27.915 8.496033 39.12297 
1 1 1  -19    1   44 o   69.792   16.223   93.855   46.540   81.873   66.757  105.185   64.917   66.537   23.157   73.046   22.725 -6.509056 32.44503 
1 1 1  -19    1   46 f  108.267   17.421  249.965   68.781  153.154   97.462  346.022   97.082   84.000   28.008  132.533   20.725 -48.53311 34.84208 
1 1 1  -19    2    1 o   78.947   11.475  114.275   31.511  149.344   44.870   80.145   44.264   91.754   13.836   66.140   18.311 25.61404 22.95034 
1 1 1  -19    2    3 o  184.819   13.219  614.502   80.938  628.286   99.193  587.041  140.008  188.169   14.915  181.468   21.829 6.701813 26.43767 
1 1 1  -19    2    5 f  449.118   15.911  3578.46  238.423  3650.78  413.568  3542.46  291.793  451.856   25.896  446.379   18.495 5.476624 31.82205 
1 1 1  -19    2    7 o  359.062   14.986  2313.72  178.608  2244.60  309.034  2348.39  218.864  354.509   24.664  363.615   17.030 -9.106354 29.97196 
1 1 1  -19    2    9 o  432.705   12.850  3328.65  196.507  3386.70  278.004  3270.70  277.801  436.496   18.020  428.913   18.325 7.583099 25.70057 
1 1 1  -19    2   11 o  512.422   13.691  4673.69  247.955  4719.55  350.742  4627.88  350.582  514.951   19.271  509.892   19.453 5.059418 27.38235 
1 1 1  -19    2   13 o  201.084   10.780  718.080   76.608  730.255  108.496  705.974  108.185  202.790   15.137  199.377   15.352 3.413696 21.55987 
1 1 1  -19    2   15 o  277.420   11.477  1368.58  112.529  1374.91  159.121  1362.25  159.160  278.066   16.190  276.775   16.270 1.291412 22.95306 
1 1 1  -19    2   17 f  128.454   10.704  293.657   48.545  279.130   68.840  308.028   68.469  125.269   15.548  131.638   14.716 -6.369286 21.40800 
1 1 1  -19    2   19 o  392.390   12.504  2747.93  173.336  2845.81  245.212  2650.18  245.056  399.442   17.369  385.339   17.993 14.10318 25.00838 
1 1 1  -19    2   21 f  258.193   11.364  1189.21  103.609  1248.35  146.588  1130.17  146.464  264.667   15.670  251.719   16.462 12.94800 22.72818 
1 1 1  -19    2   23 o   85.729   13.975  136.225   39.851  135.734   49.022  137.182   68.429   85.738   16.778   85.720   22.354 0.1824188E-01 27.95012 
1 1 1  -19    2   25 o  406.081   15.528  2966.69  209.992  2995.70  364.220  2952.25  257.009  406.198   25.369  405.964   17.912 0.2347412 31.05523 
1 1 1  -19    2   27 o  161.886   10.878  468.225   62.239  469.386   88.337  467.080   87.705  162.081   15.420  161.691   15.347 0.3903198 21.75567 
1 1 1  -19    2   29 o  223.908   13.718  901.424  102.130  906.429  177.540  898.948  124.857  223.668   22.458  224.149   15.760 -0.4813995 27.43614 
1 1 1  -19    2   31 o  567.748   17.678  5815.76  335.689  6108.60  582.130  5669.87  410.888  575.479   28.620  560.017   20.759 15.46210 35.35579 
1 1 1  -19    2   33 o  319.832   14.837  1878.51  156.445  1786.06  272.068  1924.18  191.221  312.333   24.646  327.332   16.528 -14.99887 29.67474 
1 1 1  -19    2   35 o  339.369   14.842  2096.52  167.129  2090.83  290.735  2099.32  204.250  337.328   24.385  341.410   16.926 -4.082031 29.68400 
1 1 1  -19    2   37 o  493.994   16.729  4467.42  275.462  4596.27  478.036  4403.37  337.046  495.917   27.273  492.072   19.379 3.845032 33.45702 
1 1 1  -19    2   39 o   72.025   15.568   94.202   43.721  121.609   65.082   71.661   59.024   79.868   22.236   64.182   21.795 15.68653 31.13599 
1 1 1  -19    2   41 o   70.887   16.010   93.195   46.137   68.983   66.887  115.170   63.723   64.387   23.109   77.388   22.164 -13.00084 32.01993 
1 1 1  -19    2   43 o  311.824   25.217  1901.52  277.917  1901.52  277.917   0.0000   0.0000  311.824   25.217  ?   ?       ?      ? 
1 1 1  -19    2   45 f  195.920   17.100  772.351  117.843  851.822  167.016  693.564  166.297  207.289   22.796  184.550   25.495 22.73953 34.20000 
1 1 1  -19    3    2 o  208.908   11.219  775.336   82.822  758.391  117.375  792.140  116.882  206.620   16.073  211.195   15.658 -4.575165 22.43899 
1 1 1  -19    3    4 o  220.461   13.434  861.951   98.930  856.088  121.305  873.596  170.955  219.588   15.630  221.334   21.853 -1.746216 26.86721 
1 1 1  -19    3    6 o  249.108   14.799  1160.99  119.091  959.603  206.609  1261.19  145.737  231.663   25.233  266.554   15.469 -34.89104 29.59744 
1 1 1  -19    3    8 o  494.583   13.555  4353.25  236.889  4470.92  335.146  4235.76  334.876  501.308   18.915  487.858   19.421 13.44955 27.11004 
1 1 1  -19    3   10 o  510.452   13.703  4639.29  247.166  4760.42  349.665  4518.32  349.426  517.160   19.130  503.743   19.626 13.41653 27.40644 
1 1 1  -19    3   12 o  163.923   12.883  456.286   71.707  557.200  123.787  405.322   87.970  176.834   19.806  151.012   16.482 25.82236 25.76654 
1 1 1  -19    3   14 o  416.857   12.800  3094.53  188.590  3124.22  266.793  3064.88  266.622  418.869   18.021  414.844   18.184 4.025391 25.60100 
1 1 1  -19    3   16 o  945.132   19.932 16118.89  665.766 16343.99  941.628 15893.88  941.442  951.867   27.989  938.397   28.385 13.47015 39.86311 
1 1 1  -19    3   18 o  572.966   14.562  5876.60  294.780  6066.34  417.000  5687.08  416.763  582.328   20.260  563.604   20.922 18.72363 29.12383 
1 1 1  -19    3   20 o  244.206   11.439  1064.10   98.585  1132.45  139.516  995.929  139.324  252.113   15.657  236.299   16.682 15.81429 22.87850 
1 1 1  -19    3   22 o  791.166   25.450 11592.17  711.663 11593.59  1006.23 11590.76  1006.66  791.225   35.981  791.108   36.002 0.1170654 50.89984 
1 1 1  -19    3   24 o  557.615   18.232  5719.91  335.804  5867.91  411.380  5424.37  581.332  571.364   20.371  543.867   30.242 27.49786 36.46309 
1 1 1  -19    3   26 o  447.971   16.182  3632.50  240.965  3623.26  418.014  3637.10  294.891  445.761   26.532  450.181   18.533 -4.419525 32.36401 
1 1 1  -19    3   28 o  133.355   14.335  331.495   60.702  307.942  106.399  342.861   73.911  128.190   24.374  138.519   15.097 -10.32889 28.67093 
1 1 1  -19    3   30 o  235.374   14.169  1012.29  109.932  962.911  191.379  1036.60  134.299  230.118   23.530  240.629   15.791 -10.51131 28.33752 
1 1 1  -19    3   32 f  738.457   20.727 10006.99  510.868 10390.47  885.901  9815.93  625.312  743.487   33.713  733.427   24.122 10.05927 41.45387 
1 1 1  -19    3   34 o  203.656   13.460  739.626   91.471  781.390  159.732  719.248  111.578  207.154   21.816  200.159   15.772 6.994751 26.92024 
1 1 1  -19    3   36 o   96.715   13.638  162.911   41.866  209.885   78.084  143.958   49.598  105.408   21.683   88.022   16.550 17.38631 27.27688 
1 1 1  -19    3   38 o  219.567   13.251  864.429   96.762  918.794  170.207  838.470  117.617  223.540   21.543  215.594   15.435 7.945786 26.50176 
1 1 1  -19    3   40 o  435.537   16.495  3561.62  237.629  3511.40  413.125  3586.46  290.496  428.795   27.259  442.278   18.583 -13.48346 32.99091 
1 1 1  -19    3   42 o  331.373   17.993  2124.02  210.597  2050.48  298.723  2196.69  296.944  325.038   26.002  337.708   24.878 -12.66953 35.98659 
1 1 1  -19    3   44 o  420.000   20.058  3632.69  297.733  3597.78  421.718  3667.37  420.400  417.547   28.576  422.452   28.156 -4.905060 40.11616 
1 1 1  -19    4    1 o  190.858   10.777  647.606   72.561  697.380  103.084  598.721  102.157  198.166   14.718  183.549   15.747 14.61644 21.55404 
1 1 1  -19    4    3 o  120.893   10.921  259.789   46.550  283.040   66.257  237.124   65.415  126.262   14.847  115.524   16.021 10.73806 21.84260 
1 1 1  -19    4    5 o  272.491   11.398  1319.91  109.653  1394.26  155.304  1246.00  154.841  280.186   15.683  264.796   16.545 15.38965 22.79614 
1 1 1  -19    4    7 o  299.336   11.851  1592.54  125.366  1567.42  177.394  1617.60  177.195  296.964   16.901  301.708   16.617 -4.744263 23.70154 
1 1 1  -19    4    9 o  408.628   12.693  2971.71  183.189  3103.12  259.257  2840.69  258.881  417.711   17.560  399.545   18.332 18.16605 25.38576 
1 1 1  -19    4   11 o  585.198   14.591  6108.80  301.770  6030.47  426.878  6187.04  426.657  581.412   20.773  588.985   20.495 -7.572571 29.18176 
1 1 1  -19    4   13 o  651.036   15.491  7575.95  356.461  7598.63  504.215  7553.30  504.011  652.020   21.879  650.052   21.937 1.967102 30.98266 
1 1 1  -19    4   15 o  849.981   18.307 12998.67  549.684 13488.07  777.521 12509.65  777.222  866.262   25.395  833.700   26.376 32.56250 36.61424 
1 1 1  -19    4   17 o  599.982   15.030  6447.94  318.636  6634.23  450.783  6261.92  450.457  608.758   20.951  591.207   21.557 17.55078 30.06087 
1 1 1  -19    4   19 o  344.459   12.045  2116.95  146.632  2153.05  207.537  2080.96  207.203  347.417   16.901  341.501   17.167 5.916382 24.09043 
1 1 1  -19    4   21 o  470.228   26.895  4010.11  446.985   0.0000   0.0000  4010.11  446.985  ?   ?   470.228   26.895      ?      ? 
1 1 1  -19    4   23 o  261.380   14.708  1268.10  125.363  1119.16  217.925  1341.77  153.261  248.591   24.803  274.168   15.816 -25.57700 29.41637 
1 1 1  -19    4   25 o  285.881   16.847  1483.94  169.671  1354.23  240.602  1612.25  239.305  273.094   24.927  298.668   22.670 -25.57419 33.69363 
1 1 1  -19    4   27 o  197.434   13.415  693.993   88.212  721.043  154.094  680.807  107.584  199.727   21.829  195.142   15.598 4.584351 26.82909 
1 1 1  -19    4   29 o  289.154   13.704  1462.65  133.318  1647.30  232.068  1371.69  162.876  301.668   21.765  276.639   16.658 25.02823 27.40846 
1 1 1  -19    4   31 o  407.533   18.144  3040.53  261.307  3111.25  370.321  2970.40  368.772  412.391   25.407  402.674   25.911 9.716980 36.28885 
1 1 1  -19    4   33 o  417.316   15.857  3172.65  219.699  3173.72  381.989  3172.12  268.563  415.187   26.031  419.446   18.115 -4.258911 31.71393 
1 1 1  -19    4   35 o  386.535   15.779  2756.38  201.253  2656.90  350.353  2805.37  245.865  378.868   26.164  394.201   17.646 -15.33307 31.55839 
1 1 1  -19    4   37 o  315.490   14.535  1809.22  152.437  1851.06  265.838  1788.73  186.066  316.415   23.771  314.565   16.735 1.850464 29.07082 
1 1 1  -19    4   39 o  351.525   17.818  2321.85  221.369  2326.91  314.602  2316.90  311.545  351.820   25.300  351.231   25.096 0.5889893 35.63585 
1 1 1  -19    4   41 o  353.040   15.128  2332.01  176.911  2333.46  307.977  2331.29  216.126  349.597   24.925  356.484   17.153 -6.887268 30.25685 
1 1 1  -19    4   43 o  208.657   17.090  853.153  125.500  782.525  179.213  921.120  175.804  199.050   25.473  218.264   22.789 -19.21359 34.17950 
1 1 1  -19    4   45 o  320.719   19.083  2152.64  214.806  1913.75  304.875  2388.12  302.699  299.589   28.792  341.848   25.053 -42.25903 38.16595 
1 1 1  -19    5    2 o   37.748   9.5463   21.323   16.203   17.359   23.409   24.969   22.449   36.244   13.560   39.253   13.441 -3.009483 19.09252 
1 1 1  -19    5    4 o  146.694   12.902  370.732   64.307  341.135   79.274  427.687  109.969  138.527   16.191  154.861   20.091 -16.33458 25.80341 
1 1 1  -19    5    6 o  343.463   12.080  2098.25  146.634  2125.97  207.668  2070.69  207.077  345.737   16.994  341.189   17.172 4.547241 24.15944 
1 1 1  -19    5    8 o  600.512   14.610  6433.78  310.085  6404.59  438.674  6462.93  438.378  599.136   20.716  601.888   20.607 -2.752258 29.21951 
1 1 1  -19    5   10 o  486.207   13.699  4218.75  234.999  4510.68  332.539  3927.52  332.140  503.172   18.698  469.242   20.026 33.92993 27.39874 
1 1 1  -19    5   12 f  329.611   12.032  1935.78  139.933  2069.45  198.088  1802.63  197.702  341.060   16.433  318.162   17.581 22.89835 24.06494 
1 1 1  -19    5   14 o  577.755   14.681  5968.01  299.784  5962.05  424.090  5973.96  423.827  577.461   20.779  578.049   20.745 -0.5876465 29.36129 
1 1 1  -19    5   16 o   83.546   11.112  126.550   32.045  145.241   46.021  108.959   44.647   90.376   14.407   76.716   16.920 13.65988 22.22316 
1 1 1  -19    5   18 o   93.360   14.054  155.603   41.920  177.387   77.151  146.478   49.934   97.451   22.804   89.270   16.432 8.180817 28.10708 
1 1 1  -19    5   20 o  174.480   15.445  542.623   95.248   0.0000   0.0000  542.623   95.248  ?   ?   174.480   15.445      ?      ? 
1 1 1  -19    5   22 o  110.630   14.080  223.620   50.046  223.804   88.614  223.534   60.644  109.314   23.625  111.946   15.327 -2.631775 28.16098 
1 1 1  -19    5   24 o  385.120   15.029  2638.80  193.604  2778.35  336.289  2569.61  236.780  391.496   24.303  378.745   17.688 12.75079 30.05853 
1 1 1  -19    5   26 o  155.689   14.210  449.529   71.706  402.175  126.485  471.955   87.045  148.837   24.044  162.541   15.152 -13.70351 28.41981 
1 1 1  -19    5   28 o  296.582   14.979  1627.35  145.521  1483.66  253.139  1698.28  177.844  285.238   25.109  307.927   16.341 -22.68842 29.95809 
1 1 1  -19    5   30 o  474.174   16.256  4037.56  257.629  4237.17  447.499  3938.60  315.084  480.794   26.334  467.553   19.067 13.24185 32.51157 
1 1 1  -19    5   32 o  299.377   14.711  1636.92  145.508  1589.00  253.465  1660.47  177.708  294.697   24.334  304.057   16.536 -9.360229 29.42122 
1 1 1  -19    5   34 o  871.263   24.606 14585.04  707.751 14201.46  1227.05 14776.28  866.394  850.344   40.827  892.182   27.475 -41.83832 49.21119 
1 1 1  -19    5   36 o  731.491   21.451 10136.54  519.696 10069.00  901.884 10170.11  635.881  720.941   35.394  742.042   24.245 -21.10120 42.90194 
1 1 1  -19    5   38 o  134.189   13.724  324.805   60.645  342.208  108.422  316.881   73.161  135.969   22.561  132.408   15.633 3.561066 27.44790 
1 1 1  -19    5   40 o  255.547   16.284  1190.14  147.077   0.0000   0.0000  1190.14  147.077  ?   ?   255.547   16.284      ?      ? 
1 1 1  -19    5   42 o   52.942   12.909   32.566   24.992   86.260   56.404   19.449   27.878   67.380   21.219   38.505   14.708 28.87452 25.81856 
1 1 1  -19    5   44 o  200.372   14.864  793.116   96.442  739.033  170.235  818.678  117.035  191.316   25.175  209.428   15.811 -18.11154 29.72868 
1 1 1  -19    6    1 o  220.133   11.499  862.579   89.463  857.699  127.050  867.377  125.994  219.504   16.376  220.761   16.148 -1.257111 22.99841 
1 1 1  -19    6    3 o  333.958   12.148  1985.95  143.388  1974.27  203.243  1997.52  202.324  332.967   17.270  334.948   17.090 -1.981384 24.29675 
1 1 1  -19    6    5 o  191.186   11.486  650.140   77.606  662.181  110.229  638.305  109.281  192.947   16.164  189.425   16.323 3.522522 22.97143 
1 1 1  -19    6    7 o   28.665   7.9407   3.7756   12.683   18.862   18.369  -9.9687   17.533   34.705   12.143   22.625   10.235 12.07946 15.88137 
1 1 1  -19    6    9 o  318.261   12.176  1803.55  136.932  1850.87  193.985  1756.55  193.320  322.450   17.021  314.073   17.415 8.376678 24.35163 
1 1 1  -19    6   11 o  583.736   18.685  6225.46  359.757  5866.00  624.139  6404.30  440.251  568.910   31.040  598.563   20.810 -29.65234 37.36997 
1 1 1  -19    6   13 o  309.665   14.744  1738.69  150.543  1649.40  262.047  1782.68  183.922  302.937   24.474  316.394   16.447 -13.45694 29.48705 
1 1 1  -19    6   15 o  769.880   21.275 10734.24  545.513 10861.54  945.820 10670.78  667.775  769.799   34.762  769.961   24.538 -0.1624756 42.55054 
1 1 1  -19    6   17 o  371.844   15.309  2490.76  188.795  2454.58  328.222  2508.65  230.799  368.810   25.179  374.878   17.419 -6.068146 30.61734 
1 1 1  -19    6   19 o  239.387   13.979  1031.05  110.727  1015.38  193.362  1038.69  135.065  237.430   23.042  241.344   15.834 -3.914261 27.95777 
1 1 1  -19    6   21 o  123.438   15.066  280.759   62.577  382.302   91.239  190.564   85.990  146.179   17.659  100.697   24.414 45.48221 30.13108 
1 1 1  -19    6   23 o  209.454   14.704  820.727   99.659  707.820  174.344  875.526  121.459  197.480   24.978  221.429   15.519 -23.94928 29.40706 
1 1 1  -19    6   25 o   65.026   13.056   68.132   28.800  105.079   55.859   54.755   33.612   75.152   20.473   54.900   16.206 20.25230 26.11140 
1 1 1  -19    6   27 o  172.884   12.950  518.657   74.830  593.638  132.496  483.539   90.677  181.353   20.671  164.415   15.604 16.93744 25.89917 
1 1 1  -19    6   29 o  170.307   14.279  536.143   78.962  490.453  139.691  557.596   95.721  164.083   24.087  176.530   15.342 -12.44624 28.55786 
1 1 1  -19    6   31 o  278.234   16.362  1410.01  160.773  1487.97  229.203  1334.49  225.575  285.969   22.677  270.500   23.594 15.46954 32.72493 
1 1 1  -19    6   33 o  397.453   17.994  2908.94  252.661  3026.86  359.417  2793.73  355.252  405.653   25.068  389.252   25.822 16.40088 35.98856 
1 1 1  -19    6   35 o  269.259   16.285  1306.34  154.982   0.0000   0.0000  1306.34  154.982  ?   ?   269.259   16.285      ?      ? 
1 1 1  -19    6   37 o  131.276   15.137  315.480   61.297  335.624  116.689  307.804   72.037  131.975   25.941  130.576   15.609 1.399490 30.27468 
1 1 1  -19    6   39 o  431.618   16.208  3447.87  232.377  3583.43  406.449  3382.04  283.233  433.897   26.503  429.340   18.665 4.557739 32.41601 
1 1 1  -19    6   41 o   69.896   14.953   76.200   32.837  129.245   77.804   64.703   36.221   81.250   24.814   58.542   16.691 22.70792 29.90507 
1 1 1  -19    6   43 o  101.583   18.786  220.320   68.615  182.843  106.552  246.872   89.687   92.788   29.155  110.378   23.697 -17.59021 37.57137 
1 1 1  -19    7    2 o  446.910   13.447  3566.97  212.397  3595.25  300.623  3538.78  300.127  448.693   18.956  445.126   19.077 3.566803 26.89344 
1 1 1  -19    7    4 o  495.506   13.964  4388.09  244.407  4569.89  346.030  4207.10  345.259  505.857   19.354  485.155   20.135 20.70248 27.92801 
1 1 1  -19    7    6 o  281.700   11.682  1415.23  115.939  1551.89  164.542  1280.48  163.391  295.323   15.764  268.078   17.244 27.24460 23.36368 
1 1 1  -19    7    8 o  341.461   15.016  2095.91  169.821  2058.59  295.887  2114.25  207.378  338.427   24.737  344.495   17.032 -6.067993 30.03298 
1 1 1  -19    7   10 o  311.082   15.174  1767.08  154.947  1636.85  270.148  1830.93  189.153  301.568   25.345  320.596   16.693 -19.02789 30.34863 
1 1 1  -19    7   12 o  162.151   13.945  472.315   73.668  464.282  132.356  475.921   88.673  160.776   23.292  163.526   15.342 -2.749542 27.89058 
1 1 1  -19    7   14 o  423.525   15.639  3205.12  220.444  3262.95  383.816  3176.65  269.289  425.276   25.535  421.775   18.064 3.500275 31.27844 
1 1 1  -19    7   16 o  123.147   14.979  282.808   58.033  261.947  104.221  292.182   69.866  118.233   25.676  128.061   15.436 -9.828522 29.95828 
1 1 1  -19    7   18 o  216.048   14.745  865.151  103.149  767.130  181.880  911.625  125.238  205.993   24.981  226.103   15.671 -20.11034 29.48984 
1 1 1  -19    7   20 o  157.193   14.655  442.199   80.140  557.136  117.991  343.766  109.192  176.293   18.936  138.093   22.372 38.20023 29.30983 
1 1 1  -19    7   22 o  551.670   18.319  5609.00  333.282  5317.86  578.514  5753.62  407.744  537.840   30.433  565.500   20.400 -27.65973 36.63769 
1 1 1  -19    7   24 o  291.364   16.460  1519.26  169.510   0.0000   0.0000  1519.26  169.510  ?   ?   291.364   16.460      ?      ? 
1 1 1  -19    7   26 f  623.419   22.134  7203.56  487.698  7172.33  690.631  7234.63  688.790  621.965   31.417  624.873   31.187 -2.908447 44.26785 
1 1 1  -19    7   28 o  163.878   12.462  454.945   68.375  569.076  122.346  403.108   82.454  177.679   19.482  150.078   15.544 27.60120 24.92345 
1 1 1  -19    7   30 o   64.730   13.960   74.896   31.954   71.256   64.025   76.103   36.875   65.529   22.685   63.932   16.276 1.596313 27.92021 
1 1 1  -19    7   32 o  149.333   14.344  405.415   68.959  401.892  126.487  406.904   82.259  148.069   24.169  150.597   15.454 -2.528305 28.68770 
1 1 1  -19    7   34 o  259.196   16.657  1234.47  152.517  1238.81  219.492  1230.42  212.081  259.476   23.933  258.915   23.175 0.5609436 33.31499 
1 1 1  -19    7   36 o  283.141   14.100  1426.89  132.380  1575.47  236.148  1358.80  159.860  292.150   22.870  274.132   16.499 18.01794 28.19988 
1 1 1  -19    7   38 o  117.904   14.831  239.078   53.276  310.497  108.205  216.225   61.209  126.610   25.067  109.197   15.859 17.41370 29.66265 
1 1 1  -19    7   40 f  171.762   17.126  564.005  103.295  548.710  153.503  576.663  139.641  168.820   25.726  174.704   22.615 -5.884262 34.25284 
1 1 1  -19    7   42 o  267.341   15.038  1362.63  131.486  1389.18  234.671  1350.48  158.743  265.188   25.037  269.495   16.666 -4.307831 30.07670 
1 1 1  -19    7   44 o   43.345   13.244   12.480   21.112   16.509   78.997   12.170   21.909   53.963   23.140   32.728   12.889 21.23479 26.48724 
1 1 1  -19    8    1 o   75.299   17.122  105.146   44.539   0.0000   0.0000  105.146   44.539  ?   ?    75.299   17.122      ?      ? 
1 1 1  -19    8    3 o  133.198   16.557  359.413   67.098  247.118  120.062  410.414   80.913  114.547   29.482  151.849   15.076 -37.30138 33.11306 
1 1 1  -19    8    5 o  329.919   17.114  1958.91  199.508  1931.48  284.192  1985.56  280.146  327.557   24.547  332.281   23.854 -4.723633 34.22836 
1 1 1  -19    8    7 o  494.017   17.776  4515.43  287.373  4065.20  499.199  4738.59  351.448  473.164   29.850  514.869   19.313 -41.70523 35.55269 
1 1 1  -19    8    9 o  165.720   15.899  493.358   93.031  483.843  133.838  502.254  129.405  164.105   23.075  167.336   21.880 -3.231354 31.79892 
1 1 1  -19    8   11 f  477.973   17.099  4169.94  269.580  3949.96  468.355  4278.92  329.665  466.742   28.391  489.204   19.066 -22.46262 34.19878 
1 1 1  -19    8   13 o  321.615   14.637  1849.31  156.122  1868.90  273.248  1839.82  190.229  322.088   24.003  321.143   16.759 0.9454651 29.27481 
1 1 1  -19    8   15 o  132.669   12.753  304.553   55.680  342.340  101.347  288.217   66.638  138.127   20.759  127.211   14.821 10.91640 25.50689 
1 1 1  -19    8   17 o  245.704   14.113  1079.31  114.650  1093.63  201.960  1072.50  139.267  246.259   23.204  245.150   16.073 1.108612 28.22665 
1 1 1  -19    8   19 o  438.552   26.204  3494.40  406.175   0.0000   0.0000  3494.40  406.175  ?   ?   438.552   26.204      ?      ? 
1 1 1  -19    8   21 o  401.466   14.851  2830.47  200.156  3137.09  348.933  2680.09  244.355  416.209   23.720  386.723   17.877 29.48682 29.70222 
1 1 1  -19    8   23 o  103.716   15.224  199.437   49.586  193.835   94.434  201.570   58.264  101.232   26.193  106.199   15.522 -4.966988 30.44706 
1 1 1  -19    8   25 o   59.592   13.088   46.539   26.733  104.069   58.067   31.067   30.114   74.870   21.060   44.314   15.546 30.55594 26.17582 
1 1 1  -19    8   27 o  466.188   19.425  3995.24  319.880  3864.77  454.037  4123.82  450.737  458.260   28.032  474.116   26.898 -15.85660 38.84987 
1 1 1  -19    8   29 o  131.118   15.185  306.423   66.480  451.534  103.486  204.458   86.747  158.335   18.492  103.902   24.091 54.43244 30.36953 
1 1 1  -19    8   31 o  609.139   18.469  6763.14  375.266  7076.40  653.099  6608.74  458.514  615.510   30.021  602.768   21.522 12.74182 36.93846 
1 1 1  -19    8   33 o  332.431   13.605  1898.61  151.934  2347.89  269.354  1688.96  184.000  358.827   21.238  306.035   17.011 52.79147 27.21084 
1 1 1  -19    8   35 o   61.400   14.531   71.132   34.919 -21.1450   92.715   86.385   37.695   54.922   24.276   67.877   15.977 -12.95591 29.06227 
1 1 1  -19    8   37 o  201.015   13.556  704.191   89.362  839.205  165.282  648.421  106.227  212.848   21.970  189.182   15.887 23.66614 27.11237 
1 1 1  -19    8   39 f  246.404   14.596  1113.81  116.884  1176.57  213.630  1086.99  139.639  248.842   24.290  243.966   16.194 4.875214 29.19299 
1 1 1  -19    8   41 o   85.022   18.269  152.349   65.275   55.273  110.445  204.460   80.920   68.847   28.286  101.197   23.129 -32.35062 36.53789 
1 1 1  -19    8   43 o  317.265   25.775  2060.61  289.024   0.0000   0.0000  2060.61  289.024  ?   ?   317.265   25.775      ?      ? 
1 1 1  -19    9    2 f  219.698   15.140  907.209  107.203  760.836  187.311  978.509  130.731  205.108   25.838  234.288   15.787 -29.18024 30.27946 
1 1 1  -19    9    4 o  210.811   15.557  848.624  104.221  673.939  183.269  932.117  126.703  192.917   26.878  228.705   15.674 -35.78760 31.11456 
1 1 1  -19    9    6 o  104.971   16.248  211.304   55.424  175.437  100.935  226.787   66.316   97.186   27.913  112.756   16.640 -15.56984 32.49623 
1 1 1  -19    9    8 o  503.822   18.500  4774.27  302.466  4087.50  524.875  5115.73  370.096  473.082   31.391  534.562   19.588 -61.47903 37.00093 
1 1 1  -19    9   10 f  216.620   14.872  875.166  103.896  756.076  183.062  931.753  126.189  204.585   25.317  228.655   15.614 -24.06999 29.74441 
1 1 1  -19    9   12 o  197.437   13.829  697.239   89.381  701.114  160.089  695.483  107.736  197.333   22.953  197.542   15.431 -0.2088318 27.65777 
1 1 1  -19    9   14 o  101.479   15.762  194.042   50.974  174.493   96.761  201.551   59.971   96.670   27.183  106.289   15.964 -9.619438 31.52404 
1 1 1  -19    9   16 o  126.123   15.525  298.728   60.484  274.848  111.972  308.567   71.872  120.730   26.926  131.517   15.462 -10.78755 31.04950 
1 1 1  -19    9   18 o  230.595   15.683  949.444  127.823   0.0000   0.0000  949.444  127.823  ?   ?   230.595   15.683      ?      ? 
1 1 1  -19    9   20 o  183.235   14.940  622.424   88.044  561.699  157.773  649.886  106.101  175.759   25.398  190.711   15.741 -14.95177 29.88007 
1 1 1  -19    9   22 f  340.138   17.133  2101.17  205.879  2190.57  293.423  2014.47  288.941  347.389   23.898  332.888   24.558 14.50150 34.26656 
1 1 1  -19    9   24 o  316.313   15.211  1823.03  158.313  1769.95  278.026  1848.50  192.583  311.521   25.251  321.104   16.969 -9.582855 30.42283 
1 1 1  -19    9   26 o  598.034   19.192  6630.56  378.796  6372.04  658.216  6758.58  463.183  585.025   31.833  611.042   21.447 -26.01746 38.38341 
1 1 1  -19    9   28 o  192.867   15.571  666.309  106.143   0.0000   0.0000  666.309  106.143  ?   ?   192.867   15.571      ?      ? 
1 1 1  -19    9   30 o  440.327   15.672  3459.97  230.579  3757.24  403.818  3316.16  280.869  452.087   25.272  428.567   18.542 23.52020 31.34487 
1 1 1  -19    9   32 o  365.553   16.264  2485.66  193.935  2346.77  342.595  2551.15  235.257  355.265   27.284  375.841   17.710 -20.57574 32.52782 
1 1 1  -19    9   34 o  184.051   11.412  451.915   63.806  1068.09  136.943  281.059   72.111  243.343   15.922  124.759   16.354 118.5841 22.82439 
1 1 1  -19    9   36 o  176.008   14.793  567.813   82.389  577.250  156.074  564.167   97.006  175.406   25.175  176.610   15.540 -1.204300 29.58510 
1 1 1  -19    9   38 o  202.154   22.922  768.632  163.775   0.0000   0.0000  768.632  163.775  ?   ?   202.154   22.922      ?      ? 
1 1 1  -19    9   40 o   64.571   17.030   65.189   45.802   71.056   97.550   63.530   51.876   69.492   27.251   59.650   20.432 9.842758 34.06023 
1 1 1  -19    9   42 o  333.423   18.785  2276.51  221.171  2312.22  320.447  2244.02  305.644  335.059   27.059  331.787   26.064 3.272858 37.57018 
1 1 1  -19   10    1 o   78.049   13.413  129.962   42.479  -1.5449   76.838  187.845   50.977   53.392   22.856  102.706   14.043 -49.31379 26.82551 
1 1 1  -19   10    3 o  441.641   16.992  3627.50  244.995  3228.17  425.738  3825.22  299.567  420.954   28.615  462.328   18.333 -41.37424 33.98354 
1 1 1  -19   10    5 o  181.417   17.621  663.960   95.366  463.151  167.958  759.502  115.853  156.487   31.458  206.347   15.885 -49.86038 35.24117 
1 1 1  -19   10    7 o  399.286   19.257  2915.64  268.794  2443.42  381.377  3381.74  378.900  366.007   29.481  432.565   24.783 -66.55807 38.51405 
1 1 1  -19   10    9 o  295.661   15.030  1595.85  145.865  1500.98  255.271  1641.84  177.740  288.073   25.071  303.250   16.583 -15.17719 30.05947 
1 1 1  -19   10   11 o   46.866   11.562   18.625   17.745   69.304   48.647   10.847   19.058   62.532   19.708   31.201   12.098 31.33163 23.12474 
1 1 1  -19   10   13 o  122.514   16.372  297.698   62.723  223.361  112.042  331.629   75.697  108.708   28.728  136.321   15.711 -27.61250 32.74310 
1 1 1  -19   10   15 o  124.652   15.974  298.275   61.925  255.032  112.511  317.067   74.170  116.043   27.798  133.261   15.747 -17.21830 31.94818 
1 1 1  -19   10   17 o  241.237   15.403  1090.18  119.791  944.721  211.181  1159.19  145.456  227.811   26.228  254.664   16.160 -26.85262 30.80651 
1 1 1  -19   10   19 o  423.850   18.325  3272.34  274.505  3324.09  390.893  3221.98  385.579  427.168   25.890  420.531   25.941 6.636841 36.65070 
1 1 1  -19   10   21 o  368.008   15.503  2451.58  188.637  2440.99  330.469  2456.70  229.743  365.919   25.552  370.096   17.563 -4.176361 31.00606 
1 1 1  -19   10   23 o  397.188   14.540  2759.10  193.682  3129.46  339.830  2580.92  235.713  415.190   23.158  379.186   17.588 36.00354 29.07934 
1 1 1  -19   10   25 o  191.334   14.145  652.870   88.097  681.194  160.698  640.700  105.337  193.507   23.496  189.160   15.755 4.346786 28.28949 
1 1 1  -19   10   27 o  371.594   17.470  2522.84  229.205  2685.28  328.207  2368.21  320.229  383.508   24.213  359.681   25.190 23.82697 34.94004 
1 1 1  -19   10   29 o  126.697   16.008  294.138   60.580  305.835  121.587  290.275   69.869  126.201   27.992  127.194   15.542 -0.9935074 32.01685 
1 1 1  -19   10   31 o  286.544   14.347  1463.73  135.462  1574.58  243.239  1413.89  163.095  292.883   23.497  280.205   16.468 12.67850 28.69368 
1 1 1  -19   10   33 o  449.376   18.896  3772.22  299.816  4013.22  429.724  3543.65  418.506  463.815   26.213  434.937   27.224 28.87860 37.79289 
1 1 1  -19   10   35 o  168.388   16.634  519.217   98.182  601.863  150.875  458.511  129.307  179.742   23.749  157.035   23.297 22.70682 33.26843 
1 1 1  -19   10   37 o   52.607   15.123   11.192   33.776   70.879   85.017   0.0062   36.805   68.257   25.778   36.956   15.819 31.30189 30.24520 
1 1 1  -19   10   39 o  397.431   19.394  3125.58  272.275  3101.83  390.336  3148.09  379.982  395.146   27.949  399.716   26.896 -4.569702 38.78832 
1 1 1  -19   10   41 o  166.439   15.318  512.740   78.924  597.929  158.628  484.714   90.984  171.660   26.145  161.218   15.967 10.44196 30.63523 
1 1 1  -19   11    2 o  202.890   15.059  789.275   97.188  620.524  169.953  871.273  118.470  184.796   26.021  220.984   15.168 -36.18781 30.11871 
1 1 1  -19   11    4 o  178.617   17.880  659.063   94.118  423.500  164.575  773.548  114.732  149.047   32.183  208.186   15.592 -59.13893 35.76096 
1 1 1  -19   11    6 o  233.714   13.598  995.150  104.356  936.670  182.603  1023.51  127.170  227.862   22.673  239.566   15.019 -11.70468 27.19649 
1 1 1  -19   11    8 o   63.091   13.763   75.226   36.457   6.5208   67.997  102.943   43.189   51.733   21.796   74.448   16.811 -22.71433 27.52579 
1 1 1  -19   11   10 o  394.923   16.238  2872.29  210.588  2656.52  366.211  2978.89  257.404  381.956   27.127  407.890   17.855 -25.93402 32.47538 
1 1 1  -19   11   12 o  298.125   18.580  1805.33  169.216  1180.50  295.066  2111.54  206.559  252.684   33.039  343.566   17.010 -90.88248 37.16045 
1 1 1  -19   11   14 o  206.150   14.099  764.054   95.602  764.127  169.432  764.020  115.796  205.507   23.326  206.792   15.843 -1.285324 28.19802 
1 1 1  -19   11   16 o   76.572   13.906  102.046   33.849  123.835   68.678   95.056   38.902   81.581   22.888   71.564   15.802 10.01707 27.81295 
1 1 1  -19   11   18 o  247.250   17.395  1119.84  150.682  978.250  216.741  1252.29  209.630  231.454   26.495  263.045   22.548 -31.59157 34.79023 
1 1 1  -19   11   20 o  242.907   15.680  1111.99  122.696  953.259  215.692  1187.93  149.185  228.250   26.736  257.563   16.388 -29.31306 31.35911 
1 1 1  -19   11   22 o  240.419   14.906  1059.21  116.773  1006.37  207.487  1083.71  141.270  234.876   24.994  245.963   16.250 -11.08672 29.81209 
1 1 1  -19   11   24 o  205.806   13.816  744.811   93.620  817.008  169.224  712.968  112.386  212.118   22.572  199.495   15.939 12.62256 27.63206 
1 1 1  -19   11   26 o  378.961   15.497  2594.88  194.551  2648.52  341.548  2569.12  236.705  380.067   25.426  377.854   17.724 2.212433 30.99364 
1 1 1  -19   11   28 o  230.796   16.158  969.175  131.461  1072.53  191.910  877.794  180.448  242.496   22.391  219.097   23.302 23.39926 32.31628 
1 1 1  -19   11   30 o  442.916   19.306  3651.14  302.058  3573.92  430.995  3725.68  423.453  437.863   27.849  447.969   26.745 -10.10596 38.61163 
1 1 1  -19   11   32 o  161.923   16.339  474.079   89.170  644.404  138.646  353.925  116.449  187.645   20.905  136.200   25.115 51.44499 32.67727 
1 1 1  -19   11   34 o   58.395   16.386   41.479   46.025   5.9499   96.673   51.892   52.337   59.780   25.615   57.010   20.444 2.770325 32.77298 
1 1 1  -19   11   36 o  331.893   14.760  1984.66  162.072  2229.06  291.005  1874.77  195.137  343.667   23.958  320.120   17.247 23.54700 29.51970 
1 1 1  -19   11   38 f   61.261   20.230   68.659   50.892   0.0000   0.0000   68.659   50.892  ?   ?    61.261   20.230      ?      ? 
1 1 1  -19   11   40 o   52.743   16.737   51.842   35.041   0.0000   0.0000   51.842   35.041  ?   ?    52.743   16.737      ?      ? 
1 1 1  -19   12    1 o  152.580   13.781  416.162   69.400  425.142  122.871  411.955   84.099  153.325   22.673  151.835   15.671 1.489563 27.56205 
1 1 1  -19   12    3 o  251.061   14.761  1177.10  120.233  1023.72  209.891  1252.01  146.684  237.398   25.015  264.725   15.677 -27.32745 29.52140 
1 1 1  -19   12    5 o  131.542   13.954  325.900   57.117  290.039  102.279  342.151   68.853  124.543   24.107  138.542   14.061 -13.99865 27.90778 
1 1 1  -19   12    7 o  132.923   15.677  332.859   65.620  301.929  116.504  347.231   79.415  126.468   26.892  139.379   16.121 -12.91060 31.35343 
1 1 1  -19   12    9 o   81.552   15.123  127.356   42.141  106.253   77.299  136.281   50.269   77.325   24.893   85.779   17.180 -8.453484 30.24590 
1 1 1  -19   12   11 o  230.806   16.490  1017.55  121.642  828.600  213.213  1108.73  148.112  212.717   28.359  248.894   16.837 -36.17656 32.98032 
1 1 1  -19   12   13 o  219.432   15.153  901.802  107.509  781.951  188.576  959.515  130.858  207.210   25.749  231.654   15.982 -24.44382 30.30551 
1 1 1  -19   12   15 o  214.107   18.369  930.525  117.048  645.241  205.728  1067.07  142.329  184.059   32.828  244.155   16.493 -60.09602 36.73835 
1 1 1  -19   12   17 o  179.966   21.870  585.786  139.109   0.0000   0.0000  585.786  139.109  ?   ?   179.966   21.870      ?      ? 
1 1 1  -19   12   19 o  547.996   18.721  5590.45  337.033  5221.00  586.091  5772.98  411.962  530.518   31.257  565.474   20.612 -34.95544 37.44130 
1 1 1  -19   12   21 o  426.866   16.723  3344.25  235.343  3229.43  410.848  3400.33  287.116  419.069   27.738  434.664   18.689 -15.59573 33.44657 
1 1 1  -19   12   23 o  472.240   17.714  4155.48  274.110  3852.06  477.960  4304.19  334.605  455.983   29.657  488.498   19.380 -32.51541 35.42738 
1 1 1  -19   12   25 o  342.552   17.814  2155.47  215.415  2075.05  308.064  2232.41  301.332  335.909   25.948  349.196   24.415 -13.28696 35.62831 
1 1 1  -19   12   27 o  226.805   16.999  945.862  135.798  903.256  197.327  984.194  187.170  221.532   25.202  232.078   22.818 -10.54678 33.99702 
1 1 1  -19   12   29 o  307.883   16.773  1740.33  181.956  1934.13  262.612  1561.38  252.343  324.763   22.878  291.004   24.534 33.75934 33.54632 
1 1 1  -19   12   31 o  593.332   21.755  6709.22  455.898  7024.42  648.080  6400.45  641.447  607.970   30.160  578.694   31.361 29.27582 43.51004 
1 1 1  -19   12   33 o  369.395   16.255  2545.62  196.398  2503.02  348.518  2565.45  237.741  363.588   27.120  375.202   17.927 -11.61374 32.51012 
1 1 1  -19   12   35 o  117.770   18.873  310.621   70.134  179.592  144.206  351.215   80.266   96.760   34.014  138.779   16.364 -42.01923 37.74596 
1 1 1  -19   12   37 o  128.646   18.188  329.663   67.929  322.103  143.702  331.838   77.086  122.981   32.551  134.312   16.238 -11.33060 36.37660 
1 1 1  -19   12   39 o  110.805   17.329  223.941   42.387  281.769  137.500  217.868   44.558  112.083   32.691  109.528   11.510 2.554779 34.65817 
1 1 1  -19   13    2 o  133.172   15.632  344.763   64.457  280.277  114.375  374.775   78.027  121.523   27.296  144.822   15.244 -23.29847 31.26399 
1 1 1  -19   13    4 o  208.330   15.215  807.775  103.009  719.141  180.504  850.581  125.441  198.637   25.710  218.022   16.279 -19.38545 30.43044 
1 1 1  -19   13    6 o  231.091   12.822  924.032   99.144  1064.84  175.404  857.926  120.185  243.090   20.415  219.092   15.520 23.99870 25.64487 
1 1 1  -19   13    8 o  185.812   17.828  697.901   99.216  491.241  173.781  797.840  120.848  160.451   31.768  211.173   16.191 -50.72183 35.65582 
1 1 1  -19   13   10 o  325.475   15.521  1938.88  166.526  1846.04  289.876  1984.62  203.447  318.202   25.774  332.749   17.299 -14.54630 31.04137 
1 1 1  -19   13   12 o  164.648   12.810  469.161   70.339  539.631  125.239  436.689   85.014  172.995   20.483  156.302   15.389 16.69337 25.61933 
1 1 1  -19   13   14 o  163.233   17.690  547.933   86.085  367.141  151.515  634.114  104.610  138.189   31.696  188.277   15.720 -50.08862 35.38005 
1 1 1  -19   13   16 o  117.299   15.731  246.211   65.218   0.0000   0.0000  246.211   65.218  ?   ?   117.299   15.731      ?      ? 
1 1 1  -19   13   18 o   65.975   14.917   75.665   36.022   73.734   71.745   76.316   41.652   67.739   23.973   64.210   17.757 3.528770 29.83351 
1 1 1  -19   13   20 o  126.709   13.155  270.858   54.831  339.586  101.816  242.783   65.074  136.993   21.028  116.425   15.814 20.56775 26.31071 
1 1 1  -19   13   22 o  115.539   18.496  256.613   73.520  230.210  110.617  277.505   98.398  109.632   28.340  121.447   23.774 -11.81446 36.99165 
1 1 1  -19   13   24 o  494.958   28.011  4540.62  490.019   0.0000   0.0000  4540.62  490.019  ?   ?   494.958   28.011      ?      ? 
1 1 1  -19   13   26 o  380.693   25.928  2676.74  348.866  2676.74  348.866   0.0000   0.0000  380.693   25.928  ?   ?       ?      ? 
1 1 1  -19   13   28 o  418.005   17.524  3312.18  238.198  2992.18  417.090  3467.06  290.173  398.751   29.594  437.259   18.776 -38.50836 35.04789 
1 1 1  -19   13   30 o  119.160   13.542  211.720   49.358  383.207  105.661  163.854   55.823  144.652   20.667   93.667   17.506 50.98569 27.08434 
1 1 1  -19   13   32 o  530.832   20.279  5183.38  380.464   0.0000   0.0000  5183.38  380.464  ?   ?   530.832   20.279      ?      ? 
1 1 1  -19   13   34 o  246.542   13.920  1035.14  112.049  1369.83  212.479  906.207  131.877  270.404   22.232  222.679   16.756 47.72580 27.83936 
1 1 1  -19   13   36 f   97.568   18.523  188.830   54.541  172.357  137.707  191.895   59.398   93.089   33.185  102.047   16.469 -8.958069 37.04631 
1 1 1  -19   13   38 o  201.668   11.762  632.295   67.525  1002.59  163.441  556.080   74.149  228.571   20.231  174.765   12.004 53.80637 23.52440 
1 1 1  -19   14    1 o   96.760   17.043  177.691   55.344  168.031   98.782  182.111   66.814   94.672   27.736   98.849   19.814 -4.177162 34.08671 
1 1 1  -19   14    3 o  400.384   15.571  2828.17  208.827  3135.98  365.669  2679.20  254.390  414.779   24.943  385.988   18.647 28.79089 31.14269 
1 1 1  -19   14    5 o   94.647   17.509  163.447   53.817  175.832  106.841  159.237   62.297   96.952   28.960   92.343   19.689 4.609482 35.01846 
1 1 1  -19   14    7 o  138.237   15.235  351.957   66.263  347.238  119.988  354.028   79.482  135.834   25.939  140.640   15.990 -4.806610 30.47090 
1 1 1  -19   14    9 f  205.649   16.145  809.195  106.137  658.463  185.846  882.153  129.297  189.388   27.764  221.909   16.485 -32.52167 32.28932 
1 1 1  -19   14   11 o  166.799   16.807  554.263   84.965  412.477  149.304  622.172  103.328  147.128   29.734  186.471   15.678 -39.34285 33.61434 
1 1 1  -19   14   13 o  152.055   17.160  463.232   79.362  343.093  140.279  519.784   96.245  133.728   30.371  170.381   15.982 -36.65359 34.31976 
1 1 1  -19   14   15 o  100.469   16.324  180.887   57.967   0.0000   0.0000  180.887   57.967  ?   ?   100.469   16.324      ?      ? 
1 1 1  -19   14   17 o  284.645   16.935  1476.33  170.335  1471.23  243.209  1481.24  238.635  284.063   24.224  285.225   23.671 -1.162109 33.86940 
1 1 1  -19   14   19 o  435.797   19.124  3498.92  293.951  3265.68  417.211  3728.83  414.222  420.698   28.059  450.896   25.992 -30.19711 38.24734 
1 1 1  -19   14   21 o  219.149   17.259  884.490  132.823  804.388  192.436  957.373  183.559  209.089   26.040  229.210   22.658 -20.12102 34.51730 
1 1 1  -19   14   25 o  463.016   19.417  3987.24  317.742  4041.02  452.710  3935.03  446.073  466.074   27.482  459.957   27.439 6.116455 38.83491 
1 1 1  -19   14   27 o  153.638   17.312  434.517   93.266  451.490  142.062  421.660  123.643  155.893   25.783  151.383   23.109 4.510330 34.62325 
1 1 1  -19   14   29 o  327.918   17.783  2006.84  205.969  1995.23  296.146  2017.72  286.653  326.650   25.651  329.187   24.637 -2.537079 35.56645 
1 1 1  -19   14   31 o  278.577   17.529  1459.86  172.305  1428.70  249.091  1488.44  238.599  275.163   25.612  281.991   23.939 -6.827301 35.05828 
1 1 1  -19   14   33 o  181.526   16.602  614.687  105.404  751.791  158.227  505.304  141.328  200.031   22.380  163.021   24.528 37.00970 33.20398 
1 1 1  -19   14   35 o   69.231   15.747   76.760   33.057  112.179   90.986   71.374   35.482   77.299   27.027   61.164   16.168 16.13531 31.49389 
1 1 1  -19   14   37 o  162.320   12.154  418.719   55.529  635.816  135.348  374.782   60.889  181.211   21.132  143.429   12.011 37.78256 24.30724 
1 1 1  -19   15    2 o  398.410   14.679  2859.82  194.290  2898.89  338.849  2840.69  237.145  398.903   24.034  397.916   16.862 0.9875488 29.35868 
1 1 1  -19   15    4 o  172.214   16.443  576.739   86.680  470.113  154.496  625.721  104.715  157.499   28.815  186.928   15.849 -29.42857 32.88660 
1 1 1  -19   15    6 o  222.925   14.796  898.419  108.597  898.661  192.005  898.305  131.683  222.023   24.468  223.828   16.645 -1.805176 29.59297 
1 1 1  -19   15    8 o  129.935   15.678  310.301   64.150  313.360  117.141  308.990   76.669  128.585   26.650  131.286   16.523 -2.700317 31.35678 
1 1 1  -19   15   10 o  234.054   15.300  1004.31  116.322  960.162  208.119  1024.37  140.279  229.098   25.702  239.011   16.606 -9.913559 30.59983 
1 1 1  -19   15   12 o  223.798   16.333  909.094  128.814  1008.33  185.994  817.616  178.572  235.723   22.324  211.873   23.846 23.85025 32.66512 
1 1 1  -19   15   14 o   97.199   17.392  172.618   60.958  245.434   92.512  116.741   81.039  114.126   23.709   80.271   25.451 33.85535 34.78368 
1 1 1  -19   15   16 o  160.683   25.226  472.684  143.266  472.684  143.266   0.0000   0.0000  160.683   25.226  ?   ?       ?      ? 
1 1 1  -19   15   18 o  211.491   16.545  813.969  123.403  893.199  179.859  743.499  169.626  221.299   22.995  201.683   23.796 19.61652 33.09094 
1 1 1  -19   15   20 o  471.975   19.500  4126.97  325.279  4163.55  461.579  4090.88  458.466  474.076   27.547  469.874   27.606 4.201691 38.99936 
1 1 1  -19   15   22 o  211.116   16.546  815.344  123.249  884.243  178.115  752.045  170.722  219.809   22.926  202.423   23.862 17.38559 33.09112 
1 1 1  -19   15   24 o  319.725   17.527  1887.19  198.001  1914.51  284.470  1861.52  275.765  321.846   25.007  317.604   24.566 4.241516 35.05496 
1 1 1  -19   15   26 o  555.106   21.251  5849.20  416.906  5961.71  592.343  5738.75  586.881  560.597   29.895  549.615   30.211 10.98230 42.50249 
1 1 1  -19   15   28 o  197.757   16.492  718.414  114.447  849.687  170.992  611.880  154.039  214.249   22.581  181.264   24.044 32.98543 32.98446 
1 1 1  -19   15   30 o  258.932   16.845  1254.00  153.830  1372.27  224.105  1148.63  211.536  270.689   23.424  247.174   24.214 23.51544 33.68951 
1 1 1  -19   15   32 o  135.654   13.366  298.350   57.224  442.482  117.208  253.242   65.570  153.533   21.599  117.776   15.752 35.75705 26.73270 
1 1 1  -19   15   34 o  272.307   13.002  1296.69  117.028  1650.31  215.309  1148.41  139.421  294.986   20.651  249.628   15.802 45.35860 26.00325 
1 1 1  -19   15   36 f  100.094   17.012  235.806   58.825  114.576  117.436  276.413   67.966   78.449   30.135  121.740   15.796 -43.29053 34.02423 
1 1 1  -19   16    1 o   56.075   19.360   51.795   46.615   0.0000   0.0000   51.795   46.615  ?   ?    56.075   19.360      ?      ? 
1 1 1  -19   16    3 o  386.412   25.264  2734.17  345.037   0.0000   0.0000  2734.17  345.037  ?   ?   386.412   25.264      ?      ? 
1 1 1  -19   16    5 o  134.811   18.105  327.088   86.266   0.0000   0.0000  327.088   86.266  ?   ?   134.811   18.105      ?      ? 
1 1 1  -19   16    7 o  175.130   25.713  562.110  159.162   0.0000   0.0000  562.110  159.162  ?   ?   175.130   25.713      ?      ? 
1 1 1  -19   16    9 o  176.846   17.861  572.182  111.462  529.975  155.565  616.710  159.783  169.993   25.892  183.699   24.609 -13.70682 35.72124 
1 1 1  -19   16   11 o  168.100   19.450  533.291  108.353  338.228  148.182  757.420  158.840  132.005   32.076  204.196   22.009 -72.19130 38.90037 
1 1 1  -19   16   13 o  163.403   19.953  518.429  108.524  693.245  152.303  338.122  154.676  195.233   22.072  131.573   33.247 63.66017 39.90678 
1 1 1  -19   16   15 o   93.686   29.088  163.877  106.417  163.877  106.417   0.0000   0.0000   93.686   29.088  ?   ?       ?      ? 
1 1 1  -19   16   17 o  405.374   18.334  3029.32  262.346  3228.15  374.020  2836.75  368.078  418.893   25.262  391.855   26.576 27.03806 36.66712 
1 1 1  -19   16   19 o  250.939   16.889  1153.20  149.600  1236.14  216.886  1077.93  206.619  259.623   23.636  242.254   24.131 17.36908 33.77809 
1 1 1  -19   16   21 o  176.415   19.228  605.949  111.755  420.406  161.314  777.179  154.967  146.448   32.055  206.382   21.245 -59.93460 38.45565 
1 1 1  -19   16   23 o   66.442   15.516   60.786   52.535 -56.4655   82.656  140.255   68.048   47.038   21.636   85.846   22.246 -38.80847 31.03182 
1 1 1  -19   16   25 o  342.199   17.979  2186.57  217.409  2189.57  310.466  2183.69  304.543  342.255   25.665  342.142   25.184 0.1123962 35.95732 
1 1 1  -19   16   27 o  259.110   14.789  1237.19  125.471  1239.73  223.596  1236.03  151.587  257.236   24.593  260.983   16.434 -3.747070 29.57832 
1 1 1  -19   16   29 o  167.314   16.975  551.768   85.221  491.002  159.776  575.929  100.748  156.749   29.931  177.878   16.025 -21.12833 33.95086 
1 1 1  -19   16   31 o  386.834   14.220  2759.44  182.335  2910.46  321.373  2687.74  221.423  390.958   23.257  382.710   16.369 8.248383 28.44042 
1 1 1  -19   16   33 o  285.552   13.952  1531.52  130.600  1576.90  233.137  1510.76  157.659  285.034   23.142  286.070   15.593 -1.035980 27.90474 
1 1 1  -19   16   35 o   92.593   17.152  166.022   54.065   0.0000   0.0000  166.022   54.065  ?   ?    92.593   17.152      ?      ? 
1 1 1  -19   17    2 o  173.393   24.013  550.906  147.162  550.906  147.162   0.0000   0.0000  173.393   24.013  ?   ?       ?      ? 
1 1 1  -19   17    4 o   61.774   23.708   49.129   72.639   49.129   72.639   0.0000   0.0000   61.774   23.708  ?   ?       ?      ? 
1 1 1  -19   17   12 o  333.396   25.607  2047.71  301.748   0.0000   0.0000  2047.71  301.748  ?   ?   333.396   25.607      ?      ? 
1 1 1  -19   17   16 o  152.438   20.549  445.423  106.399  429.585  144.447  464.209  157.318  149.692   28.339  155.184   29.765 -5.492554 41.09838 
1 1 1  -19   17   18 o   79.835   19.849   90.713   68.013   50.910   83.636  168.427  116.865   64.730   25.275   94.941   30.613 -30.21136 39.69830 
1 1 1  -19   17   20 o  409.636   18.974  3134.01  274.333  2946.27  387.194  3323.26  388.741  396.663   27.618  422.609   26.026 -25.94690 37.94823 
1 1 1  -19   17   22 o  258.885   18.258  1257.24  166.234  1355.96  231.217  1151.62  239.167  270.299   24.202  247.471   27.344 22.82748 36.51605 
1 1 1  -19   17   24 o  298.024   16.133  1704.72  154.005  1496.16  274.055  1800.97  186.182  280.973   27.596  315.075   16.719 -34.10159 32.26575 
1 1 1  -19   17   26 o  357.258   18.734  2341.32  236.561   0.0000   0.0000  2341.32  236.561  ?   ?   357.258   18.734      ?      ? 
1 1 1  -19   17   28 o   52.264   13.369   45.039   26.924   9.7656   70.974   50.968   29.099   52.226   22.150   52.303   14.977 -0.7658768E-01 26.73798 
1 1 1  -19   17   30 o  312.568   17.957  1901.73  198.374  1907.49  281.588  1896.06  279.510  312.968   25.456  312.168   25.333 0.7995300 35.91352 
1 1 1  -19   17   32 o  173.045   16.348  611.998   86.288  527.523  155.135  649.839  103.830  158.860   28.685  187.230   15.690 -28.36909 32.69597 
1 1 1  -19   17   34 o  110.670   16.711  265.857   58.662  211.708  109.879  287.443   69.376   97.603   29.417  123.737   15.863 -26.13481 33.42148 
1 1 1  -19   18    1 f   64.784   18.385   41.349   65.215   80.525   75.638 -72.1372  128.736   69.802   24.625   59.765   27.308 10.03708 36.77077 
1 1 1  -19   18    3 o   70.802   17.070   64.669   67.423  159.281   78.690 -196.5753  130.758   91.443   24.032   50.161   24.249 41.28186 34.14027 
1 1 1  -19   18    5 o  167.817   18.347  515.976  104.820  410.611  138.419  657.629  160.494  146.476   27.753  189.158   24.006 -42.68143 36.69439 
1 1 1  -19   18    7 o  129.255   20.729  328.636   91.854  356.572  120.617  290.068  141.723  136.923   25.872  121.587   32.395 15.33601 41.45808 
1 1 1  -19   18    9 o  226.109   24.661  941.856  197.082  941.856  197.082   0.0000   0.0000  226.109   24.661  ?   ?       ?      ? 
1 1 1  -19   18   11 o  216.933   24.066  865.835  184.524  865.835  184.524   0.0000   0.0000  216.933   24.066  ?   ?       ?      ? 
1 1 1  -19   18   19 f  191.353   13.159  656.810   89.001   0.0000   0.0000  656.810   89.001  ?   ?   191.353   13.159      ?      ? 
1 1 1  -19   18   21 f  124.676   17.307  282.474   76.266   0.0000   0.0000  282.474   76.266  ?   ?   124.676   17.307      ?      ? 
1 1 1  -19   18   23 o  184.179   13.172  635.579   80.464  576.269  136.219  667.363   99.720  176.197   21.874  192.161   14.682 -15.96304 26.34434 
1 1 1  -19   18   25 o  366.040   15.319  2514.21  185.464  2461.17  321.918  2540.57  226.906  359.534   25.333  372.547   17.232 -13.01303 30.63838 
1 1 1  -19   18   27 o  101.953   18.542  197.831   64.353   0.0000   0.0000  197.831   64.353  ?   ?   101.953   18.542      ?      ? 
1 1 1  -19   18   29 o   54.849   14.761   36.028   34.229   71.799   72.366   25.719   38.849   65.078   23.937   44.620   17.280 20.45827 29.52268 
1 1 1  -19   18   31 o  129.679   27.842  355.986  123.800  355.986  123.800   0.0000   0.0000  129.679   27.842  ?   ?       ?      ? 
1 1 1  -19   18   33 o  117.910   14.281  263.001   51.978  305.245  100.347  247.511   60.766  120.840   24.336  114.979   14.953 5.862022 28.56298 
1 1 1  -19   19    2 o   85.692   20.840  126.121   67.016  126.387   75.297  125.108  146.994   81.845   24.281   89.539   33.877 -7.694237 41.67959 
1 1 1  -19   19    4 o   90.617   17.555   89.925   55.707   29.324   62.835  312.476  120.415   54.251   21.680  126.983   27.616 -72.73184 35.10928 
1 1 1  -19   19    6 o  106.146   19.630  165.249   68.804  103.584   78.780  363.532  141.265   76.006   25.173  136.285   30.128 -60.27858 39.26043 
1 1 1  -19   19    8 o  133.082   21.555  343.387   96.095  333.264  119.761  361.683  161.015  131.591   26.663  134.573   33.876 -2.982224 43.11035 
1 1 1  -19   19   10 o   48.172   15.824 -82.0052   51.934 -106.8816   58.760   6.7891  111.015   32.221   15.730   64.123   27.462 -31.90255 31.64784 
1 1 1  -19   19   12 o  415.729   14.870  3110.48  218.495   0.0000   0.0000  3110.48  218.495  ?   ?   415.729   14.870      ?      ? 
1 1 1  -19   19   14 o  241.127   13.994  1031.68  114.020  1167.25  196.590  962.958  139.966  251.746   22.094  230.509   17.180 21.23650 27.98744 
1 1 1  -19   19   16 o  112.134   17.776  245.577   68.312  223.883  103.939  262.075   90.637  106.970   27.377  117.299   22.683 -10.32856 35.55268 
1 1 1  -19   19   18 o  302.319   17.703  1717.71  188.654  1608.53  269.727  1822.28  263.960  292.118   26.124  312.520   23.897 -20.40268 35.40533 
1 1 1  -19   19   20 o  221.737   22.684  916.620  177.775   0.0000   0.0000  916.620  177.775  ?   ?   221.737   22.684      ?      ? 
1 1 1  -19   19   22 o  378.254   25.742  2728.75  344.152   0.0000   0.0000  2728.75  344.152  ?   ?   378.254   25.742      ?      ? 
1 1 1  -19   19   24 o  292.490   24.091  1632.99  249.050   0.0000   0.0000  1632.99  249.050  ?   ?   292.490   24.091      ?      ? 
1 1 1  -19   19   26 o   9.5788   4.5709  -5.8040   4.3152   0.0000   0.0000  -5.8040   4.3152  ?   ?    9.5788   4.5709      ?      ? 
1 1 1  -19   19   28 o   98.438   18.172  187.214   60.897   0.0000   0.0000  187.214   60.897  ?   ?    98.438   18.172      ?      ? 
1 1 1  -19   19   30 o  156.589   17.588  465.681   97.343   0.0000   0.0000  465.681   97.343  ?   ?   156.589   17.588      ?      ? 
1 1 1  -19   20    1 o   83.827   13.238  117.690   37.433  200.020   65.315   77.421   45.679  103.235   18.584   64.418   18.858 38.81703 26.47594 
1 1 1  -19   20    3 o  167.576   12.712  508.407   72.755  523.346  119.971  499.718   91.500  168.890   20.098  166.262   15.571 2.628677 25.42386 
1 1 1  -19   20    5 o   71.655   12.995   83.263   33.016  151.957   57.474   49.430   40.335   89.718   18.730   53.592   18.018 36.12586 25.98944 
1 1 1  -19   20    7 o  159.584   14.411  464.534   78.568  478.840  129.428  456.186   98.869  160.779   22.776  158.388   17.661 2.390869 28.82113 
1 1 1  -19   20    9 o   53.555   13.398   46.579   29.967   38.469   56.151   49.808   35.435   54.299   20.843   52.811   16.839 1.487782 26.79509 
1 1 1  -19   20   11 o  225.710   12.977  927.464   99.406  936.501  165.527  922.366  124.321  225.578   20.761  225.841   15.575 -0.2632294 25.95373 
1 1 1  -19   20   13 o   45.151   12.646   18.967   23.479   35.310   57.795   15.736   25.695   53.907   21.021   36.395   14.065 17.51189 25.29239 
1 1 1  -19   20   15 o  302.283   11.836  1588.51  121.680  1937.36  209.039  1409.73  149.645  325.490   18.171  279.076   15.171 46.41376 23.67142 
1 1 1  -19   20   17 o  284.435   12.851  1471.18  123.402  1524.40  209.148  1442.76  152.841  286.872   20.628  281.998   15.335 4.873779 25.70300 
1 1 1  -19   20   19 f  238.654   16.332  1129.29  126.306  901.260  212.700  1253.49  156.980  215.627   27.909  261.681   16.973 -46.05389 32.66481 
1 1 1  -19   20   21 o  287.592   15.019  1507.90  152.664   0.0000   0.0000  1507.90  152.664  ?   ?   287.592   15.019      ?      ? 
1 1 1  -19   20   23 o   47.454   12.787   26.983   32.640 -29.5937   57.113   54.424   39.775   40.170   18.290   54.738   17.875 -14.56854 25.57438 
1 1 1  -19   20   25 o   80.933   16.730  132.779   50.949  118.518   77.989  143.396   67.293   77.273   25.018   84.593   22.220 -7.320213 33.46061 
1 1 1  -19   20   27 o  132.770   23.692  357.949  107.102   0.0000   0.0000  357.949  107.102  ?   ?   132.770   23.692      ?      ? 
1 1 1  -19   20   29 o  183.564   23.288  682.079  151.091   0.0000   0.0000  682.079  151.091  ?   ?   183.564   23.288      ?      ? 
1 1 1  -19   21    2 o  108.386   14.257  211.390   52.632  283.858   84.491  165.439   67.281  124.073   19.267   92.699   21.019 31.37483 28.51358 
1 1 1  -19   21    4 o  105.713   15.447  230.458   55.565  136.661   87.620  293.555   71.864   84.379   26.427  127.046   16.004 -42.66664 30.89492 
1 1 1  -19   21    6 o   71.096   17.986   96.061   45.230   0.0000   0.0000   96.061   45.230  ?   ?    71.096   17.986      ?      ? 
1 1 1  -19   21    8 o  112.574   17.258  252.418   66.387  203.683  106.717  283.184   84.790  101.158   28.584  123.990   19.348 -22.83250 34.51617 
1 1 1  -19   21   10 o   41.395   11.323   18.941   20.723   29.455   42.429   15.648   23.748   47.385   18.135   35.404   13.563 11.98093 22.64580 
1 1 1  -19   21   12 o  120.529   22.964  280.382   94.254   0.0000   0.0000  280.382   94.254  ?   ?   120.529   22.964      ?      ? 
1 1 1  -19   21   14 o   34.946   10.285   3.6398   22.075 -74.8028   49.925   22.703   24.611   31.241   15.073   38.650   13.998 -7.408524 20.57086 
1 1 1  -19   21   16 o   60.319   11.340   34.959   25.236  144.761   52.836   2.5060   28.724   87.224   17.742   33.414   14.127 53.81044 22.67940 
1 1 1  -19   21   18 o   55.519   14.338   47.737   39.088  -7.3215   68.394   74.444   47.635   48.114   21.073   62.925   19.449 -14.81079 28.67595 
1 1 1  -19   21   20 o  200.058   14.020  767.718   93.074  710.833  157.751  798.094  115.277  191.911   23.257  208.204   15.665 -16.29288 28.04058 
1 1 1  -19   21   22 o  190.637   17.735  761.238  105.929  600.593  176.195  852.169  132.561  168.032   30.803  213.242   17.588 -45.20988 35.47026 
1 1 1  -19   21   24 o  150.676   12.859  409.005   66.641  540.824  110.715  334.113   83.452  168.499   18.590  132.853   17.772 35.64622 25.71875 
1 1 1  -19   21   26 o  142.329   16.062  443.633   70.206  304.564  117.116  521.639   87.713  117.574   28.483  167.083   14.853 -49.50956 32.12310 
1 1 1  -19   22    1 o  110.461   13.091  224.604   49.384  282.306   76.188  182.794   64.853  123.531   17.450   97.391   19.520 26.13947 26.18264 
1 1 1  -19   22    3 o   90.918   20.050  178.512   75.946  224.247   87.708   41.469  151.825  106.437   23.900   75.400   32.199 31.03784 40.09916 
1 1 1  -19   22    5 o  189.485   14.191  679.151   92.071  634.960  146.549  707.968  118.342  182.897   22.670  196.074   17.077 -13.17670 28.38215 
1 1 1  -19   22    7 o  138.939   12.762  345.173   61.522  451.682   96.976  273.432   79.590  156.453   17.537  121.425   18.545 35.02794 25.52389 
1 1 1  -19   22    9 f   19.315   6.8942  -5.2975   3.7502  -7.0701   26.929  -5.2624   3.7871   29.727   13.114   8.9031   4.2578 20.82418 13.78832 
1 1 1  -19   22   11 o  203.229   22.723  786.716  163.220   0.0000   0.0000  786.716  163.220  ?   ?   203.229   22.723      ?      ? 
1 1 1  -19   22   13 f  100.851   15.080  205.174   51.470  160.033   83.308  233.043   65.458   89.272   25.265  112.431   16.472 -23.15914 30.16068 
1 1 1  -19   22   15 f   58.830   14.088   60.833   34.020   70.627   55.652   54.990   42.987   62.298   21.163   55.362   18.601 6.936028 28.17580 
1 1 1  -19   22   17 o   81.023   15.223  126.171   43.225  151.350   71.209  111.481   54.392   86.776   22.888   75.270   20.076 11.50603 30.44522 
1 1 1  -19   22   19 o   84.925   14.954  141.260   43.809  159.513   70.869  129.971   55.733   88.785   22.543   81.065   19.655 7.720131 29.90822 
1 1 1  -19   22   21 f  176.391   13.437  599.065   80.940  582.635  130.913  609.232  102.982  172.528   21.469  180.255   16.164 -7.727264 26.87341 
1 1 1  -19   22   23 o   84.467   15.606  149.475   46.740  132.427   75.384  160.122   59.574   79.477   24.450   89.457   19.400 -9.980202 31.21198 
1 1 1  -19   23    2 f  102.421   16.407  212.946   57.534  203.069   88.545  220.163   75.690   99.271   25.194  105.570   21.024 -6.298569 32.81356 
1 1 1  -19   23    4 o   70.406   18.844   51.578   41.133   39.601   43.170  169.583  135.508   50.091   18.478   90.720   32.848 -40.62890 37.68897 
1 1 1  -19   23    6 o  126.393   14.759  302.690   63.985  356.045   99.760  265.400   83.400  136.462   20.684  116.324   21.060 20.13747 29.51871 
1 1 1  -19   23    8 o  100.362   16.307  207.132   58.124  150.963   88.734  249.343   76.924   85.842   26.547  114.881   18.945 -29.03861 32.61356 
1 1 1  -19   23   10 o   61.501   20.230   70.909   50.912   0.0000   0.0000   70.909   50.912  ?   ?    61.501   20.230      ?      ? 
1 1 1  -19   23   12 o  276.864   14.419  1485.85  134.119  1408.53  222.969  1529.69  167.887  267.484   23.584  286.244   16.594 -18.75995 28.83746 
1 1 1  -19   23   14 o  198.867   14.273  777.214   94.992  696.776  156.245  824.380  119.643  187.585   23.566  210.149   16.108 -22.56361 28.54517 
1 1 1  -19   23   16 o  105.936   16.222  229.336   58.135  225.848   91.363  231.710   75.359  103.872   25.153  108.000   20.492 -4.128036 32.44390 
1 1 1  -19   23   18 o  101.019   15.922  214.808   55.597  170.770   88.870  243.126   71.264   89.207   26.357  112.831   17.870 -23.62402 31.84389 
1 1 1  -19   24    1 f   35.955   14.025   16.034   25.732   0.0000   0.0000   16.034   25.732  ?   ?    35.955   14.025      ?      ? 
1 1 1  -19   24    3 o   74.654   14.248  109.577   39.413  150.562   58.644   75.814   53.227   86.720   19.595   62.588   20.690 24.13240 28.49590 
1 1 1  -19   24    5 o   94.583   20.527  151.449   59.902  122.991   65.463  297.907  148.506   77.438   22.548  111.728   34.309 -34.28941 41.05487 
1 1 1  -19   24    7 o   43.645   11.281   28.530   24.087   4.4706   37.138   46.000   31.646   37.598   15.987   49.693   15.921 -12.09498 22.56211 
1 1 1  -19   24    9 o   94.453   18.094  175.027   58.206   0.0000   0.0000  175.027   58.206  ?   ?    94.453   18.094      ?      ? 
1 1 1  -19   24   11 o  148.802   13.692  417.316   70.985  523.908  111.023  343.613   92.320  164.623   19.081  132.980   19.642 31.64241 27.38429 
1 1 1  -19   24   13 o  120.383   15.848  293.241   64.972  297.587  100.921  290.164   84.909  118.822   24.831  121.943   19.700 -3.121025 31.69644 
1 1 1  -18    0   18 o  421.243   18.351  3194.01  383.037  3194.01  383.037  3194.01  383.037  421.243   25.953  421.243   25.953 -0.000000 0.000000 
1 1 1  -18    0   20 o   63.113   18.747  100.068   59.475  100.068   59.475  100.068   59.475   63.113   26.512   63.113   26.512 -0.000000 0.000000 
1 1 1  -18    0   24 o  613.210   15.084  6722.52  461.065  6722.52  461.065  6722.52  461.065  613.210   21.332  613.210   21.332 -0.000000 0.000000 
1 1 1  -18    0   26 o  209.572   11.491  794.088  118.707  794.088  118.707  794.088  118.707  209.572   16.251  209.572   16.251 -0.000000 0.000000 
1 1 1  -18    0   28 o   47.672   13.597   56.111   31.612   56.111   31.612   56.111   31.612   47.672   19.229   47.672   19.229 -0.000000 0.000000 
1 1 1  -18    0   30 o  162.107   11.368  480.769   90.035  480.769   90.035  480.769   90.035  162.107   16.077  162.107   16.077 -0.000000 0.000000 
1 1 1  -18    0   32 o  579.944   14.481  6031.19  418.590  6031.19  418.590  6031.19  418.590  579.944   20.479  579.944   20.479 -0.000000 0.000000 
1 1 1  -18    0   34 o  821.455   26.188 12463.09  1070.32 12463.09  1070.32 12463.09  1070.32  821.455   37.036  821.455   37.036 -0.000000 0.000000 
1 1 1  -18    0   36 o  882.064   27.756 14523.51  1218.23 14523.51  1218.23 14523.51  1218.23  882.064   39.253  882.064   39.253 -0.000000 0.000000 
1 1 1  -18    0   38 o  317.484   17.361  1852.97  271.712  1852.97  271.712  1852.97  271.712  317.484   24.552  317.484   24.552 -0.000000 0.000000 
1 1 1  -18    0   42 o   48.981   17.976   64.495   57.021   64.495   57.021   64.495   57.021   48.981   25.422   48.981   25.422 -0.000000 0.000000 
1 1 1  -18    0   44 o  512.289   20.762  5020.74  527.637  5020.74  527.637  5020.74  527.637  512.289   29.361  512.289   29.361 -0.000000 0.000000 
1 1 1  -18    1   15 o  428.177   25.722  3275.91  389.266   0.0000   0.0000  3275.91  389.266  ?   ?   428.177   25.722      ?      ? 
1 1 1  -18    1   17 o  570.277   29.116  5844.68  586.868   0.0000   0.0000  5844.68  586.868  ?   ?   570.277   29.116      ?      ? 
1 1 1  -18    1   19 o  444.142   18.533  3544.26  290.876  3466.19  411.504  3622.22  411.219  439.169   26.511  449.114   25.906 -9.944672 37.06652 
1 1 1  -18    1   21 o  184.106   13.270  597.940   81.696  583.479   99.888  627.159  141.984  181.069   15.608  187.143   21.466 -6.073227 26.54040 
1 1 1  -18    1   23 o   54.981   15.648   55.185   31.865   55.185   31.865   0.0000   0.0000   54.981   15.648  ?   ?       ?      ? 
1 1 1  -18    1   25 o  545.135   17.500  5358.96  317.916  5329.79  389.344  5417.33  550.709  544.973   20.213  545.297   28.574 -0.3246460 35.00063 
1 1 1  -18    1   27 f  214.714   11.269  823.719   85.499  802.284  120.939  845.135  120.888  211.890   16.149  217.538   15.723 -5.647400 22.53841 
1 1 1  -18    1   29 o  353.414   11.882  2236.70  148.414  2262.22  210.002  2211.23  209.775  355.453   16.716  351.376   16.891 4.076660 23.76394 
1 1 1  -18    1   31 o  212.779   15.382  821.109  115.046  926.142  163.819  718.900  161.602  226.523   20.461  199.035   22.972 27.48775 30.76316 
1 1 1  -18    1   33 o   87.107   14.165  135.557   43.611   0.0000   0.0000  135.557   43.611  ?   ?    87.107   14.165      ?      ? 
1 1 1  -18    1   35 o  186.171   22.507  631.816  148.100  631.816  148.100   0.0000   0.0000  186.171   22.507  ?   ?       ?      ? 
1 1 1  -18    1   37 o  201.574   16.027  744.716  113.977  798.080  161.671  691.985  160.709  208.998   21.886  194.150   23.420 14.84808 32.05449 
1 1 1  -18    1   39 o  264.204   16.630  1291.84  155.239  1333.20  219.942  1250.78  219.142  268.594   23.168  259.813   23.864 8.781067 33.26041 
1 1 1  -18    1   41 o  140.948   16.601  376.519   80.769  350.145  114.089  403.019  114.361  134.620   24.895  147.276   21.970 -12.65648 33.20296 
1 1 1  -18    1   43 o  332.378   17.902  2132.51  210.236  2075.84  297.560  2189.00  297.078  327.537   25.704  337.218   24.925 -9.681519 35.80421 
1 1 1  -18    1   45 o  153.017   23.931  462.502  129.423  462.502  129.423   0.0000   0.0000  153.017   23.931  ?   ?       ?      ? 
1 1 1  -18    2   12 o  557.008   28.675  5547.82  564.526   0.0000   0.0000  5547.82  564.526  ?   ?   557.008   28.675      ?      ? 
1 1 1  -18    2   14 o  447.264   26.114  3574.22  412.821   0.0000   0.0000  3574.22  412.821  ?   ?   447.264   26.114      ?      ? 
1 1 1  -18    2   16 o  622.004   30.450  6956.92  669.420   0.0000   0.0000  6956.92  669.420  ?   ?   622.004   30.450      ?      ? 
1 1 1  -18    2   18 o  360.852   17.284  2332.64  220.400  2385.57  311.561  2279.61  311.825  365.008   24.150  356.696   24.734 8.312225 34.56870 
1 1 1  -18    2   20 o  566.019   18.216  5847.07  340.515  6010.69  417.079  5520.00  589.689  579.950   20.347  552.087   30.220 27.86292 36.43167 
1 1 1  -18    2   22 o  282.163   16.221  1431.09  161.637  1360.83  228.148  1501.89  229.032  275.100   23.464  289.227   22.405 -14.12659 32.44286 
1 1 1  -18    2   24 o  347.042   24.338  2173.84  298.531  2173.84  298.531   0.0000   0.0000  347.042   24.338  ?   ?       ?      ? 
1 1 1  -18    2   26 o  278.549   14.355  1406.11  132.504  1429.64  162.278  1359.05  229.520  282.908   16.229  274.191   23.684 8.716858 28.71055 
1 1 1  -18    2   28 o  432.555   15.870  3372.51  228.630  3410.75  396.549  3353.47  279.819  432.772   25.925  432.339   18.312 0.4328003 31.73999 
1 1 1  -18    2   30 o  456.351   15.944  3726.34  243.392  3917.67  422.349  3631.21  297.819  463.290   25.793  449.412   18.749 13.87759 31.88740 
1 1 1  -18    2   32 o  730.257   20.387  9741.36  497.272 10141.89  861.999  9541.58  608.784  736.484   33.115  724.029   23.790 12.45490 40.77423 
1 1 1  -18    2   34 o  413.744   16.021  3146.08  219.127  3026.25  380.170  3205.70  268.152  405.552   26.522  421.935   17.981 -16.38312 32.04293 
1 1 1  -18    2   36 o  242.870   14.888  1103.45  117.868  989.133  205.579  1159.43  143.862  231.766   25.096  253.975   16.026 -22.20810 29.77698 
1 1 1  -18    2   38 o  384.163   18.005  2740.24  244.303  2858.23  346.209  2623.21  344.788  392.778   24.939  375.549   25.976 17.22894 36.00919 
1 1 1  -18    2   40 o  170.622   16.091  539.874   97.004  558.386  138.116  521.853  136.273  173.594   22.511  167.649   22.998 5.944366 32.18122 
1 1 1  -18    2   42 o  385.259   18.608  2850.35  253.138  2722.14  358.322  2978.09  357.660  375.830   26.975  394.688   25.639 -18.85843 37.21557 
1 1 1  -18    2   44 o  117.930   17.486  279.596   70.566  301.481  101.116  258.818   98.526  122.851   24.148  113.009   25.298 9.842110 34.97282 
1 1 1  -18    2   46 o  181.687   23.839  664.816  153.088   0.0000   0.0000  664.816  153.088  ?   ?   181.687   23.839      ?      ? 
1 1 1  -18    3    1 f   86.157   23.469  136.507   73.403  136.507   73.403   0.0000   0.0000   86.157   23.469  ?   ?       ?      ? 
1 1 1  -18    3    9 o  533.782   28.084  5089.53  529.829   0.0000   0.0000  5089.53  529.829  ?   ?   533.782   28.084      ?      ? 
1 1 1  -18    3   11 o  609.357   30.017  6647.91  646.483   0.0000   0.0000  6647.91  646.483  ?   ?   609.357   30.017      ?      ? 
1 1 1  -18    3   13 o  972.001   40.855 17144.46  1403.58   0.0000   0.0000 17144.46  1403.58  ?   ?   972.001   40.855      ?      ? 
1 1 1  -18    3   15 o  158.176   15.333  446.123   85.690  457.773  120.830  434.336  121.540  160.276   21.330  156.076   22.032 4.200150 30.66571 
1 1 1  -18    3   17 o  987.945   29.557 17908.32  1031.99 18135.64  1459.32 17680.92  1459.60  994.459   41.519  981.430   42.078 13.02979 59.11303 
1 1 1  -18    3   19 o  126.355   12.670  276.332   54.152  258.020   66.515  312.325   93.254  120.451   15.624  132.259   19.949 -11.80826 25.33918 
1 1 1  -18    3   21 o  352.618   24.291  2236.90  302.745  2236.90  302.745   0.0000   0.0000  352.618   24.291  ?   ?       ?      ? 
1 1 1  -18    3   23 o  121.040   13.591  269.664   52.994  276.340   65.067  256.510   91.335  124.577   14.778  117.504   22.815 7.072845 27.18238 
1 1 1  -18    3   25 o  477.767   19.154  4150.19  323.424  4208.96  457.882  4091.68  456.900  481.225   26.921  474.309   27.255 6.915863 38.30836 
1 1 1  -18    3   27 o  182.012   15.484  597.846   99.541  626.000  141.385  570.175  140.169  186.335   21.468  177.690   22.319 8.644821 30.96762 
1 1 1  -18    3   29 o  361.675   17.428  2379.04  222.762  2419.29  315.707  2339.15  314.364  364.787   24.486  358.563   24.805 6.224335 34.85532 
1 1 1  -18    3   31 o  353.764   14.966  2257.36  176.140  2279.03  306.042  2246.62  215.391  353.679   24.482  353.849   17.222 -0.1703491 29.93299 
1 1 1  -18    3   33 o  391.276   14.753  2714.54  193.695  2951.15  336.554  2597.35  236.853  402.445   23.661  380.107   17.630 22.33801 29.50671 
1 1 1  -18    3   35 o   68.655   13.903   91.084   34.997   61.488   63.347  104.087   41.987   62.604   22.487   74.706   16.355 -12.10108 27.80560 
1 1 1  -18    3   37 o  807.096   22.331 12257.04  600.098 12610.25  1040.64 12081.06  734.531  806.581   36.503  807.611   25.733 -1.030457 44.66164 
1 1 1  -18    3   39 o  357.545   15.496  2375.37  182.766  2291.48  318.077  2416.72  223.312  350.065   25.708  365.025   17.309 -14.95932 30.99162 
1 1 1  -18    3   41 o  409.933   26.561  3201.93  384.833   0.0000   0.0000  3201.93  384.833  ?   ?   409.933   26.561      ?      ? 
1 1 1  -18    3   43 o  171.289   22.935  559.684  138.848   0.0000   0.0000  559.684  138.848  ?   ?   171.289   22.935      ?      ? 
1 1 1  -18    3   45 o  161.143   16.746  514.484   95.326  505.327  136.027  523.321  133.628  159.390   24.146  162.895   23.210 -3.505142 33.49195 
1 1 1  -18    4    2 o   85.227   24.244  132.730   76.510  132.730   76.510   0.0000   0.0000   85.227   24.244  ?   ?       ?      ? 
1 1 1  -18    4    4 o  262.835   22.986  1230.16  213.538  1230.16  213.538   0.0000   0.0000  262.835   22.986  ?   ?       ?      ? 
1 1 1  -18    4    6 f  261.180   16.078  1214.24  148.407  1237.12  211.021  1191.84  208.755  263.621   22.648  258.738   22.827 4.883423 32.15605 
1 1 1  -18    4    8 o  265.717   16.238  1257.49  152.473  1239.16  216.718  1275.46  214.559  263.774   23.246  267.660   22.680 -3.886169 32.47676 
1 1 1  -18    4   10 o  570.820   20.480  5831.73  413.170  5916.12  584.968  5747.72  583.654  574.985   28.784  566.654   29.142 8.330566 40.96077 
1 1 1  -18    4   12 o  386.605   14.995  2672.00  192.803  2694.34  236.293  2627.48  333.496  389.522   17.163  383.687   24.592 5.835663 29.98903 
1 1 1  -18    4   14 o  833.457   22.574 12628.64  623.086 12868.05  763.233 12150.24  1078.90  848.232   25.458  818.682   37.286 29.55005 45.14808 
1 1 1  -18    4   16 o  657.672   19.217  7819.12  419.333  7925.03  513.690  7607.58  725.983  666.235   21.815  649.108   31.644 17.12720 38.43464 
1 1 1  -18    4   18 o  412.692   18.113  3065.34  263.454  3325.78  372.532  2804.77  372.627  430.552   24.480  394.832   26.702 35.72073 36.22538 
1 1 1  -18    4   20 o  369.214   24.624  2452.46  321.330   0.0000   0.0000  2452.46  321.330  ?   ?   369.214   24.624      ?      ? 
1 1 1  -18    4   22 o  642.938   22.147  7547.62  503.256  7633.04  712.213  7462.44  711.210  646.677   31.160  639.200   31.480 7.476990 44.29435 
1 1 1  -18    4   24 o  148.771   21.987  398.333  115.614  398.333  115.614   0.0000   0.0000  148.771   21.987  ?   ?       ?      ? 
1 1 1  -18    4   26 o  359.291   24.652  2340.50  313.059  2340.50  313.059   0.0000   0.0000  359.291   24.652  ?   ?       ?      ? 
1 1 1  -18    4   28 o  541.019   20.362  5373.96  389.334  5441.90  551.199  5306.33  550.005  544.541   28.639  537.497   28.951 7.044189 40.72321 
1 1 1  -18    4   30 o  353.656   24.550  2277.77  306.869   0.0000   0.0000  2277.77  306.869  ?   ?   353.656   24.550      ?      ? 
1 1 1  -18    4   32 o  340.867   14.514  2072.20  165.329  2186.55  287.788  2015.87  201.986  346.616   23.491  335.118   17.053 11.49835 29.02830 
1 1 1  -18    4   34 f  105.997   14.103  205.764   47.611  210.639   86.576  203.651   57.006  105.390   23.804  106.604   15.129 -1.214806 28.20552 
1 1 1  -18    4   36 o  298.499   13.756  1568.65  137.816  1766.65  241.027  1472.48  167.986  311.058   21.923  285.941   16.622 25.11697 27.51195 
1 1 1  -18    4   38 o  532.348   17.952  5302.47  315.938  5180.33  548.802  5363.02  386.388  522.801   29.700  541.895   20.174 -19.09454 35.90382 
1 1 1  -18    4   40 o  268.456   16.738  1345.52  158.800  1375.90  226.068  1315.94  223.116  271.516   23.557  265.397   23.786 6.118958 33.47688 
1 1 1  -18    4   42 o   80.826   16.779  127.143   52.447   90.830   75.970  160.209   72.495   71.193   24.707   90.459   22.708 -19.26674 33.55778 
1 1 1  -18    4   44 o  132.544   17.572  354.079   79.265  364.654  114.032  344.193  110.258  134.462   24.912  130.625   24.788 3.836868 35.14324 
1 1 1  -18    4   46 o  214.251   24.279  935.801  183.852   0.0000   0.0000  935.801  183.852  ?   ?   214.251   24.279      ?      ? 
1 1 1  -18    5    1 o  379.123   24.953  2567.82  334.362  2567.82  334.362   0.0000   0.0000  379.123   24.953  ?   ?       ?      ? 
1 1 1  -18    5    3 o  186.842   13.224  613.418   81.964  640.814  144.666  600.466   99.470  189.704   21.576  183.980   15.297 5.723923 26.44833 
1 1 1  -18    5    5 o  743.861   24.127  9961.52  634.062  9640.87  897.391 10281.19  896.008  731.673   34.701  756.049   33.531 -24.37604 48.25428 
1 1 1  -18    5    7 o  429.429   18.480  3296.51  280.221  3142.63  397.213  3448.97  395.380  419.327   26.801  439.531   25.451 -20.20428 36.96003 
1 1 1  -18    5    9 o  222.676   13.297  887.691   98.525  900.709  120.996  862.072  169.733  225.337   15.192  220.014   21.827 5.323486 26.59361 
1 1 1  -18    5   11 o  232.527   14.067  961.968  109.132  961.710  133.868  962.478  188.430  232.744   16.273  232.310   22.949 0.4337311 28.13328 
1 1 1  -18    5   13 o  312.778   14.049  1747.88  146.311  1759.70  179.439  1724.42  252.728  314.765   16.129  310.791   23.007 3.973572 28.09772 
1 1 1  -18    5   15 o  302.540   14.677  1637.54  147.857  1646.87  181.319  1619.03  255.447  304.316   16.858  300.765   24.030 3.550629 29.35342 
1 1 1  -18    5   17 o  444.801   18.391  3556.94  289.048  3659.55  409.600  3455.15  407.957  451.287   25.680  438.315   26.333 12.97134 36.78160 
1 1 1  -18    5   19 o  417.120   18.144  3134.51  267.494  3127.50  378.993  3141.47  377.598  416.631   25.737  417.609   25.582 -0.9777832 36.28849 
1 1 1  -18    5   21 o  365.037   17.501  2403.47  225.741  2352.15  319.907  2454.38  318.589  361.060   25.068  369.014   24.427 -7.954254 35.00129 
1 1 1  -18    5   23 o   89.336   16.199  150.100   51.972  119.289   74.990  178.578   72.094   80.829   24.289   97.842   21.440 -17.01344 32.39744 
1 1 1  -18    5   25 o  521.914   28.318  4975.37  522.373  4975.37  522.373   0.0000   0.0000  521.914   28.318  ?   ?       ?      ? 
1 1 1  -18    5   27 o  496.603   19.482  4510.44  341.898  4610.46  484.425  4411.17  482.613  502.247   27.289  490.958   27.812 11.28940 38.96418 
1 1 1  -18    5   29 o  375.856   17.652  2573.82  234.479  2607.73  332.374  2540.23  330.839  378.369   24.854  373.342   25.072 5.026794 35.30312 
1 1 1  -18    5   31 o  147.158   13.876  395.621   66.584  376.819  118.290  404.341   80.559  143.970   23.246  150.346   15.160 -6.376160 27.75283 
1 1 1  -18    5   33 o  188.257   13.658  638.812   85.066  643.389  149.314  636.612  103.506  188.045   22.466  188.469   15.538 -0.4248505 27.31566 
1 1 1  -18    5   35 o  389.076   15.351  2735.27  199.136  2831.51  346.365  2687.75  243.383  392.227   24.985  385.925   17.843 6.301788 30.70197 
1 1 1  -18    5   37 o  294.480   14.538  1578.22  141.864  1593.76  248.121  1570.68  172.916  293.935   23.883  295.024   16.583 -1.089294 29.07563 
1 1 1  -18    5   39 o  259.059   13.801  1202.96  119.280  1306.90  209.474  1153.09  145.102  265.800   22.297  252.318   16.271 13.48267 27.60274 
1 1 1  -18    5   41 o  140.680   12.018  331.776   56.310  457.462  102.882  278.022   67.282  157.685   18.460  123.674   15.392 34.01083 24.03508 
1 1 1  -18    5   43 o  187.224   13.637  633.711   84.967  732.606  151.639  588.452  102.584  195.882   21.903  178.567   16.254 17.31503 27.27475 
1 1 1  -18    5   45 o   79.451   17.193  130.621   53.561  105.804   78.564  152.171   73.211   73.055   25.138   85.847   23.460 -12.79177 34.38503 
1 1 1  -18    6    2 o  221.600   14.124  886.272  102.741  841.863  180.535  907.543  124.948  217.113   23.526  226.086   15.636 -8.973114 28.24863 
1 1 1  -18    6    4 o   46.563   10.041   38.100   18.954   20.122   28.116   53.077   25.662   39.449   14.841   53.677   13.530 -14.22873 20.08270 
1 1 1  -18    6    6 o   46.372   10.559   35.296   19.854   48.949   30.119   24.806   26.402   52.115   15.329   40.630   14.525 11.48559 21.11786 
1 1 1  -18    6    8 o  160.204   11.386  456.608   64.152  513.156   91.355  401.595   90.107  170.050   15.200  150.358   16.955 19.69218 22.77104 
1 1 1  -18    6   10 o  354.770   12.194  2237.99  152.757  2357.91  216.442  2118.97  215.622  364.294   16.810  345.246   17.670 19.04739 24.38894 
1 1 1  -18    6   12 o   57.870   13.562   53.875   29.213   61.023   58.445   51.495   33.728   62.016   21.663   53.725   16.322 8.291508 27.12322 
1 1 1  -18    6   14 o  330.236   14.581  1942.66  160.141  1956.70  278.646  1935.74  195.686  330.582   23.848  329.889   16.783 0.6927490 29.16165 
1 1 1  -18    6   16 o   51.971   12.370   46.232   28.204  -1.2147   53.873   64.146   33.103   44.925   19.182   59.016   15.624 -14.09037 24.74036 
1 1 1  -18    6   18 o  113.662   14.843  233.788   57.642  311.603   85.566  169.134   77.995  132.127   18.323   95.197   23.356 36.92970 29.68574 
1 1 1  -18    6   20 o  259.627   22.760  1211.83  208.858   0.0000   0.0000  1211.83  208.858  ?   ?   259.627   22.760      ?      ? 
1 1 1  -18    6   22 o  559.388   20.634  5704.70  407.964  5706.06  577.955  5703.35  575.946  559.426   29.230  559.350   29.133 0.7531738E-01 41.26872 
1 1 1  -18    6   24 o  406.621   18.365  3006.00  263.642  2856.04  373.754  3154.52  371.945  396.210   26.690  417.033   25.234 -20.82312 36.73001 
1 1 1  -18    6   26 o  157.031   13.854  445.372   71.306  437.846  126.632  448.866   86.286  155.541   23.035  158.521   15.400 -2.979935 27.70859 
1 1 1  -18    6   28 o  155.375   14.261  445.849   72.015  406.541  127.105  464.433   87.396  149.566   24.044  161.184   15.341 -11.61864 28.52140 
1 1 1  -18    6   30 o  202.157   12.909  708.357   87.545  818.883  154.106  655.692  106.377  212.931   20.477  191.383   15.726 21.54756 25.81878 
1 1 1  -18    6   32 o  467.383   16.013  3902.83  250.532  4189.77  436.051  3761.44  306.097  478.019   25.809  456.746   18.961 21.27289 32.02547 
1 1 1  -18    6   34 o  383.304   15.887  2710.28  200.501  2595.06  349.882  2766.62  244.656  374.866   26.407  391.742   17.670 -16.87689 31.77385 
1 1 1  -18    6   36 o  162.592   13.587  468.263   72.591  511.872  131.522  449.160   87.051  167.167   22.260  158.017   15.587 9.150085 27.17449 
1 1 1  -18    6   38 f  365.323   16.215  2519.94  193.227  2322.33  338.448  2615.49  235.355  351.091   27.274  379.554   17.544 -28.46255 32.42950 
1 1 1  -18    6   40 o  445.865   16.134  3653.26  239.729  3913.13  419.729  3527.44  292.052  453.556   26.183  438.173   18.858 15.38342 32.26711 
1 1 1  -18    6   42 f  156.076   16.160  461.175   88.840  509.515  132.115  421.274  120.030  163.485   22.864  148.666   22.843 14.81938 32.31998 
1 1 1  -18    6   44 o  223.825   23.899  993.054  189.064   0.0000   0.0000  993.054  189.064  ?   ?   223.825   23.899      ?      ? 
1 1 1  -18    7    1 o  356.622   12.317  2264.00  155.176  2187.57  219.740  2340.03  219.165  350.571   17.734  362.673   17.098 -12.10217 24.63402 
1 1 1  -18    7    3 o  173.332   10.359  535.411   63.184  483.125   90.045  586.127   88.683  164.919   15.448  181.744   13.806 -16.82513 20.71792 
1 1 1  -18    7    5 o  289.565   15.561  1558.03  145.994  1334.39  254.713  1667.45  178.165  272.818   26.415  306.312   16.457 -33.49368 31.12223 
1 1 1  -18    7    7 o  210.708   15.670  836.104  105.388  684.991  186.094  907.451  127.870  195.413   26.944  226.004   16.008 -30.59125 31.34037 
1 1 1  -18    7    9 o  472.561   16.630  4007.06  260.704  3952.44  453.342  4034.04  318.668  469.174   27.338  475.948   18.943 -6.774506 33.26014 
1 1 1  -18    7   11 o  194.048   13.701  665.255   87.735  687.563  155.980  654.931  106.112  196.120   22.502  191.976   15.639 4.143814 27.40291 
1 1 1  -18    7   13 o  212.018   12.380  761.579   87.960  922.605  156.438  687.136  106.367  227.421   19.462  196.615   15.306 30.80580 24.76003 
1 1 1  -18    7   15 o  287.648   14.466  1493.62  137.079  1438.06  240.036  1520.51  166.987  283.023   23.996  292.273   16.165 -9.250275 28.93272 
1 1 1  -18    7   17 o  238.170   14.900  1045.47  115.455  937.540  202.630  1097.35  140.490  228.128   25.131  248.213   16.014 -20.08530 29.79949 
1 1 1  -18    7   19 f  295.690   16.493  1559.37  172.367   0.0000   0.0000  1559.37  172.367  ?   ?   295.690   16.493      ?      ? 
1 1 1  -18    7   21 o  383.031   14.836  2590.24  190.133  2775.58  331.492  2499.37  232.108  392.139   23.917  373.923   17.563 18.21570 29.67296 
1 1 1  -18    7   23 o  571.212   21.065  5978.70  425.209  5879.22  602.602  6077.35  600.080  566.261   30.109  576.163   29.468 -9.901978 42.12928 
1 1 1  -18    7   25 o  102.784   14.878  201.092   48.508  176.279   89.296  211.479   57.777   96.729   25.687  108.839   15.019 -12.11002 29.75556 
1 1 1  -18    7   27 o  116.379   15.632  242.207   64.300   0.0000   0.0000  242.207   64.300  ?   ?   116.379   15.632      ?      ? 
1 1 1  -18    7   29 f  298.965   14.474  1608.99  143.450  1628.58  251.157  1599.51  174.760  299.206   23.749  298.724   16.552 0.4820862 28.94840 
1 1 1  -18    7   31 o  192.681   12.411  621.047   80.059  816.338  144.038  533.745   96.305  212.766   19.154  172.596   15.787 40.16971 24.82125 
1 1 1  -18    7   33 o  412.428   15.952  3104.42  217.954  3096.27  380.206  3108.41  266.000  409.749   26.253  415.108   18.130 -5.358459 31.90497 
1 1 1  -18    7   35 o  745.364   21.395 10407.88  530.160 10609.17  920.477 10307.96  648.533  742.901   35.056  747.828   24.536 -4.926941 42.78965 
1 1 1  -18    7   37 o  162.750   15.981  504.658   78.856  469.252  148.285  518.618   93.114  155.926   27.933  169.575   15.536 -13.64984 31.96230 
1 1 1  -18    7   39 o  373.428   15.106  2527.98  187.621  2746.57  331.154  2424.65  227.691  382.373   24.503  364.483   17.675 17.88974 30.21255 
1 1 1  -18    7   41 o  313.884   16.991  1810.74  188.495   0.0000   0.0000  1810.74  188.495  ?   ?   313.884   16.991      ?      ? 
1 1 1  -18    7   43 o  144.842   14.574  383.052   67.236  446.232  129.618  359.794   78.643  150.424   24.380  139.261   15.978 11.16267 29.14884 
1 1 1  -18    7   45 o   28.210   11.826   3.3255   19.857   0.0000   0.0000   3.3255   19.857  ?   ?    28.210   11.826      ?      ? 
1 1 1  -18    8    2 o  156.923   16.205  477.437   77.830  376.237  137.840  524.804   94.302  142.047   28.447  171.798   15.530 -29.75179 32.41025 
1 1 1  -18    8    4 o  578.172   19.566  6297.96  365.903  5268.04  634.450  6811.25  447.895  538.700   33.322  617.645   20.517 -78.94495 39.13191 
1 1 1  -18    8    6 o  129.375   16.555  322.481   66.356  265.181  120.518  347.407   79.489  118.977   28.938  139.773   16.090 -20.79515 33.11014 
1 1 1  -18    8    8 o  471.560   18.948  3998.73  315.791  4044.43  447.513  3953.40  445.685  474.274   26.697  468.846   26.895 5.427673 37.89550 
1 1 1  -18    8   10 o  201.852   14.297  736.028   94.174  704.894  167.562  750.402  113.858  198.282   23.910  205.423   15.682 -7.140701 28.59351 
1 1 1  -18    8   12 f  433.711   14.917  3260.97  217.832  3702.17  379.270  3043.79  266.099  454.269   23.622  413.153   18.223 41.11618 29.83388 
1 1 1  -18    8   14 o  149.045   12.893  380.404   63.406  441.080  115.542  354.258   75.847  156.985   20.824  141.105   15.208 15.88071 25.78605 
1 1 1  -18    8   16 o  359.546   15.370  2331.82  182.823  2282.03  318.805  2356.22  223.164  355.702   25.358  363.389   17.375 -7.687439 30.73990 
1 1 1  -18    8   18 o  118.507   15.269  250.203   63.953   0.0000   0.0000  250.203   63.953  ?   ?   118.507   15.269      ?      ? 
1 1 1  -18    8   20 o  233.247   14.691  1002.24  111.509  910.238  196.269  1046.09  135.503  224.349   24.752  242.146   15.833 -17.79681 29.38234 
1 1 1  -18    8   22 o  181.589   11.964  543.383   73.038  749.884  130.389  448.961   88.169  204.607   18.030  158.571   15.732 46.03612 23.92843 
1 1 1  -18    8   24 o  145.306   13.159  368.269   63.231  409.431  113.721  349.848   76.074  150.661   21.356  139.952   15.379 10.70898 26.31747 
1 1 1  -18    8   26 o  470.152   18.900  4043.34  313.760  4260.09  445.394  3829.82  442.071  483.037   26.088  457.267   27.353 25.77060 37.79908 
1 1 1  -18    8   28 o  335.463   14.279  1986.95  160.082  2166.13  280.675  1900.56  194.888  345.400   22.991  325.526   16.939 19.87308 28.55723 
1 1 1  -18    8   30 o  669.626   19.281  8141.57  431.440  8585.67  749.700  7921.67  527.553  678.976   31.240  660.277   22.606 18.69928 38.56123 
1 1 1  -18    8   32 f  620.623   18.633  7015.06  386.023  7369.92  671.462  6839.87  471.781  628.114   30.246  613.131   21.770 14.98273 37.26594 
1 1 1  -18    8   34 o  626.003   18.344  7099.82  384.723  7737.30  669.770  6785.92  469.996  642.408   29.498  609.599   21.814 32.80865 36.68755 
1 1 1  -18    8   36 o  286.573   15.099  1518.47  140.921  1471.30  251.426  1540.07  170.160  281.201   25.297  291.944   16.491 -10.74292 30.19750 
1 1 1  -18    8   38 o  338.751   15.452  2123.91  171.779  2126.63  304.650  2122.64  207.997  335.980   25.655  341.522   17.231 -5.541595 30.90445 
1 1 1  -18    8   40 o  388.272   17.997  2776.18  246.980   0.0000   0.0000  2776.18  246.980  ?   ?   388.272   17.997      ?      ? 
1 1 1  -18    8   42 o  167.332   15.771  517.061   93.276   0.0000   0.0000  517.061   93.276  ?   ?   167.332   15.771      ?      ? 
1 1 1  -18    8   44 o   71.956   15.434  116.601   44.059   10.040  103.503  140.184   48.691   59.012   25.882   84.900   16.821 -25.88849 30.86815 
1 1 1  -18    9    1 o  177.392   13.428  556.393   78.857  578.586  139.514  545.974   95.592  179.642   21.973  175.141   15.442 4.500626 26.85669 
1 1 1  -18    9    3 o  397.079   17.308  2987.95  221.069  2431.90  383.740  3264.17  270.459  366.351   29.636  427.807   17.887 -61.45538 34.61545 
1 1 1  -18    9    5 o  101.849   11.361  164.809   37.724  239.126   72.555  137.274   44.163  115.813   17.725   87.885   14.217 27.92718 22.72254 
1 1 1  -18    9    7 o  430.177   16.063  3318.92  229.531  3314.00  399.231  3321.35  280.530  428.880   26.337  431.475   18.395 -2.594788 32.12518 
1 1 1  -18    9    9 o  131.523   12.388  295.388   54.265  347.143   97.302  272.024   65.377  139.376   19.752  123.671   14.957 15.70509 24.77599 
1 1 1  -18    9   11 o  224.543   15.869  967.664  112.904  748.924  197.861  1073.28  137.485  203.567   27.500  245.518   15.843 -41.95079 31.73743 
1 1 1  -18    9   13 o  226.843   21.242  1136.41  133.307  571.981  233.802  1408.28  162.267  172.579   39.220  281.107   16.332 -108.5278 42.48482 
1 1 1  -18    9   15 o  514.716   16.917  4738.06  290.423  4876.83  504.680  4669.36  355.115  518.732   27.527  510.701   19.674 8.030792 33.83433 
1 1 1  -18    9   17 o  494.502   16.711  4382.88  275.268  4486.89  478.877  4331.56  336.398  497.245   27.248  491.760   19.354 5.485016 33.42223 
1 1 1  -18    9   19 o  391.659   18.011  2780.53  249.265  2739.86  354.557  2820.27  350.506  388.697   25.808  394.621   25.130 -5.923706 36.02188 
1 1 1  -18    9   21 f  302.327   13.519  1583.98  137.154  1819.68  241.010  1471.08  166.797  317.785   21.458  286.869   16.451 30.91589 27.03797 
1 1 1  -18    9   23 o  271.024   15.551  1370.50  136.638  1210.27  239.837  1447.50  166.258  257.630   26.339  284.418   16.539 -26.78842 31.10109 
1 1 1  -18    9   25 o  677.313   18.817  8160.68  428.714  9135.82  744.976  7677.84  524.216  703.711   29.952  650.914   22.786 52.79724 37.63409 
1 1 1  -18    9   27 o   48.496   12.859   21.049   35.388 -77.1111   65.172   62.092   42.142   38.104   18.062   58.889   18.308 -20.78534 25.71859 
1 1 1  -18    9   29 o  347.016   13.612  2074.47  158.788  2487.00  279.901  1878.70  192.818  370.505   21.374  323.526   16.862 46.97995 27.22488 
1 1 1  -18    9   31 o  268.485   16.098  1294.38  152.760   0.0000   0.0000  1294.38  152.760  ?   ?   268.485   16.098      ?      ? 
1 1 1  -18    9   33 o  144.897   14.682  367.156   66.261  414.578  132.211  351.249   76.572  149.970   24.943  139.825   15.494 10.14511 29.36325 
1 1 1  -18    9   35 o  379.038   14.895  2574.48  187.476  2794.52  332.208  2471.66  227.093  388.580   24.189  369.495   17.389 19.08508 29.79035 
1 1 1  -18    9   37 o  156.816   16.677  482.399   76.639  424.974  148.824  503.124   89.406  146.759   29.710  166.874   15.159 -20.11508 33.35402 
1 1 1  -18    9   39 o  252.688   15.382  1209.31  124.691  1154.57  226.579  1233.08  149.338  245.445   26.118  259.931   16.255 -14.48636 30.76357 
1 1 1  -18    9   41 o  311.992   15.917  1880.22  160.883  1828.81  287.955  1903.55  193.984  303.671   26.829  320.313   17.134 -16.64215 31.83359 
1 1 1  -18    9   43 o  326.000   18.444  2173.51  212.359  2260.43  307.605  2094.37  293.531  331.993   26.215  320.006   25.952 11.98666 36.88808 
1 1 1  -18   10    2 o  163.475   15.896  476.202   91.846   0.0000   0.0000  476.202   91.846  ?   ?   163.475   15.896      ?      ? 
1 1 1  -18   10    4 o  290.593   14.759  1540.49  141.027  1435.96  245.488  1591.98  172.294  282.320   24.602  298.865   16.311 -16.54434 29.51766 
1 1 1  -18   10    6 o  253.975   12.976  1147.29  109.477  1166.43  191.364  1137.98  133.478  255.088   21.225  252.863   14.935 2.225494 25.95298 
1 1 1  -18   10    8 o  210.768   13.506  801.790   93.457  773.388  164.760  815.264  113.480  207.522   22.463  214.013   15.002 -6.491119 27.01211 
1 1 1  -18   10   10 o  216.973   15.966  845.967  122.423  841.131  174.297  850.676  171.992  216.327   22.796  217.620   22.361 -1.293121 31.93219 
1 1 1  -18   10   12 o  262.219   17.241  1353.31  141.105  967.909  246.331  1541.54  172.148  230.464   30.241  293.974   16.568 -63.50983 34.48220 
1 1 1  -18   10   14 o  425.530   16.311  3286.50  229.652  3185.76  399.142  3336.35  280.783  419.168   26.941  431.892   18.394 -12.72418 32.62169 
1 1 1  -18   10   16 o  328.741   17.439  1956.84  202.294  1848.16  287.921  2062.79  284.287  319.456   25.500  338.025   23.795 -18.56900 34.87783 
1 1 1  -18   10   18 o  205.362   22.073  760.136  160.217   0.0000   0.0000  760.136  160.217  ?   ?   205.362   22.073      ?      ? 
1 1 1  -18   10   20 o   55.663   13.518   52.514   29.781   25.207   63.909   60.088   33.659   54.135   21.782   57.190   16.015 -3.054810 27.03638 
1 1 1  -18   10   22 o  240.678   15.563  1035.26  132.389   0.0000   0.0000  1035.26  132.389  ?   ?   240.678   15.563      ?      ? 
1 1 1  -18   10   24 o  376.161   16.735  2654.91  204.404  2338.14  357.168  2809.19  249.258  356.722   28.328  395.599   17.827 -38.87729 33.47077 
1 1 1  -18   10   26 o  331.302   15.678  2030.34  169.192  1878.67  298.434  2102.18  205.390  320.277   26.363  342.327   16.975 -22.04974 31.35587 
1 1 1  -18   10   28 o  230.794   13.603  929.510  103.679  1048.44  187.457  877.097  124.446  240.353   22.066  221.235   15.915 19.11768 27.20683 
1 1 1  -18   10   30 o  145.458   18.594  458.195   79.527  274.622  148.796  531.604   94.094  118.750   33.821  172.165   15.463 -53.41560 37.18798 
1 1 1  -18   10   32 o  309.837   14.215  1696.33  146.061  1882.57  260.902  1611.31  176.273  320.573   23.027  299.101   16.674 21.47202 28.42989 
1 1 1  -18   10   34 o  629.799   23.094  7608.30  513.932  7498.36  730.724  7715.92  722.957  624.625   33.099  634.972   32.213 -10.34711 46.18709 
1 1 1  -18   10   36 o  146.894   19.878  431.269   97.919  346.550  152.651  490.500  127.639  130.975   32.992  162.812   22.181 -31.83734 39.75518 
1 1 1  -18   10   38 f  227.496   17.270  978.785  138.197  994.757  206.224  965.765  186.189  228.468   25.538  226.525   23.255 1.943069 34.53998 
1 1 1  -18   10   40 o  213.344   18.050  894.065  134.617  845.892  201.609  932.822  180.836  206.371   27.640  220.317   23.223 -13.94550 36.10098 
1 1 1  -18   10   42 o  138.964   19.858  409.766   93.072  389.348  149.674  422.638  118.842  131.667   32.386  146.260   22.989 -14.59314 39.71606 
1 1 1  -18   11    1 o  271.276   17.275  1455.55  146.130  1024.34  253.868  1669.21  178.704  236.760   30.337  305.792   16.534 -69.03171 34.55063 
1 1 1  -18   11    3 o   44.417   11.039   25.809   25.937 -59.9945   51.526   54.930   30.018   34.143   16.148   54.690   15.054 -20.54710 22.07705 
1 1 1  -18   11    5 o  101.214   15.270  199.613   50.239  154.100   89.775  220.363   60.619   91.229   26.360  111.199   15.424 -19.97031 30.54078 
1 1 1  -18   11    7 o  116.317   16.189  274.539   59.044  185.635  106.225  314.287   71.027   99.813   28.625  132.820   15.130 -33.00668 32.37775 
1 1 1  -18   11    9 o  211.699   17.964  920.682  111.541  592.428  195.285  1079.62  135.887  177.307   32.354  246.091   15.623 -68.78409 35.92851 
1 1 1  -18   11   11 o  175.989   12.938  542.943   75.530  586.453  134.236  522.787   91.364  180.701   21.018  171.277   15.092 9.423859 25.87522 
1 1 1  -18   11   13 o  324.113   15.647  1926.43  166.599  1792.03  290.140  1992.53  203.488  314.346   26.114  333.880   17.244 -19.53308 31.29381 
1 1 1  -18   11   15 o  463.832   16.004  3857.44  247.364  3951.37  430.060  3811.00  302.392  466.481   26.084  461.182   18.551 5.298706 32.00834 
1 1 1  -18   11   17 o  198.456   22.004  710.430  154.343   0.0000   0.0000  710.430  154.343  ?   ?   198.456   22.004      ?      ? 
1 1 1  -18   11   19 o  133.906   12.415  295.546   54.685  393.833  102.400  256.332   64.680  148.007   19.575  119.806   15.275 28.20078 24.82920 
1 1 1  -18   11   21 o  250.029   13.228  1090.31  110.230  1222.12  195.533  1028.91  133.458  260.179   21.263  239.878   15.741 20.30162 26.45571 
1 1 1  -18   11   23 o  295.830   13.829  1537.34  136.505  1694.99  240.725  1462.61  165.727  305.904   22.265  285.756   16.409 20.14838 27.65797 
1 1 1  -18   11   25 o  316.703   16.509  1903.49  168.245  1613.15  295.001  2043.46  204.822  295.978   28.200  337.428   17.174 -41.45041 33.01775 
1 1 1  -18   11   27 o  140.839   17.059  366.147   82.670  375.273  123.852  358.813  111.022  141.138   25.778  140.539   22.351 0.5990601 34.11805 
1 1 1  -18   11   29 o  569.113   19.418  6137.60  360.908  5579.88  628.210  6412.36  440.936  544.007   32.672  594.219   20.995 -50.21179 38.83630 
1 1 1  -18   11   31 o  153.266   14.758  418.838   72.005  448.453  137.097  407.557   84.616  155.986   24.867  150.546   15.902 5.440140 29.51680 
1 1 1  -18   11   33 o  574.236   30.915  6272.96  627.447  6272.96  627.447   0.0000   0.0000  574.236   30.915  ?   ?       ?      ? 
1 1 1  -18   11   35 o  193.291   17.716  702.252  119.524  681.078  182.019  718.304  158.479  189.777   27.136  196.806   22.783 -7.028656 35.43247 
1 1 1  -18   11   37 o  253.245   16.546  1196.09  147.254  1386.96  219.096  1038.84  198.867  271.899   22.799  234.590   23.985 37.30960 33.09127 
1 1 1  -18   11   39 o  219.007   18.210  942.356  139.385  878.323  207.729  994.796  187.986  210.357   27.940  227.657   23.363 -17.30002 36.42033 
1 1 1  -18   11   41 o  112.834   18.285  294.672   64.192  191.402  136.514  323.988   72.736   93.691   33.079  131.976   15.593 -38.28486 36.56973 
1 1 1  -18   12    2 o  296.592   15.129  1621.70  146.919  1475.86  255.808  1693.48  179.472  285.308   25.368  307.876   16.493 -22.56802 30.25779 
1 1 1  -18   12    4 o  268.824   15.286  1354.67  133.125  1155.91  231.659  1452.67  162.665  252.406   25.967  285.242   16.135 -32.83572 30.57190 
1 1 1  -18   12    6 o  327.701   18.858  1978.38  213.725  1529.35  303.494  2420.13  301.026  289.211   29.690  366.191   23.258 -76.97961 37.71552 
1 1 1  -18   12    8 o   87.340   13.344  145.769   37.363  122.130   69.293  155.459   44.365   81.222   23.061   93.459   13.431 -12.23739 26.68726 
1 1 1  -18   12   10 o  214.917   12.469  822.237   88.859  838.823  155.970  814.267  108.122  216.060   20.424  213.775   14.310 2.285492 24.93844 
1 1 1  -18   12   12 o  224.897   14.439  910.758  107.191  904.947  188.402  913.539  130.343  223.674   23.832  226.120   16.309 -2.445847 28.87777 
1 1 1  -18   12   14 o  313.408   14.174  1744.95  148.080  1829.05  258.770  1704.00  180.568  318.109   23.015  308.707   16.549 9.402008 28.34744 
1 1 1  -18   12   16 o   78.011   18.100  113.413   48.942   0.0000   0.0000  113.413   48.942  ?   ?    78.011   18.100      ?      ? 
1 1 1  -18   12   18 o  210.996   13.477  787.789   94.491  836.703  166.670  764.620  114.707  215.177   21.915  206.814   15.692 8.362854 26.95398 
1 1 1  -18   12   20 o  231.497   15.214  995.721  114.495  895.280  201.083  1043.91  139.277  221.522   25.683  241.472   16.319 -19.94981 30.42863 
1 1 1  -18   12   22 o   85.486   12.061   92.668   31.742  238.631   70.916   56.099   35.496  115.310   17.400   55.661   16.707 59.64882 24.12252 
1 1 1  -18   12   24 o   30.988   9.7926  -0.4121   16.884 -100.7701   57.741   8.9713   17.656   32.457   15.789   29.520   11.588 2.937437 19.58521 
1 1 1  -18   12   26 o  374.327   18.718  2585.57  246.440  2331.95  351.565  2830.58  345.549  355.354   27.991  393.300   24.858 -37.94537 37.43576 
1 1 1  -18   12   28 o  594.440   22.018  6632.06  462.402  6454.81  655.951  6807.14  651.937  585.943   31.673  602.938   30.592 -16.99463 44.03525 
1 1 1  -18   12   30 f  285.622   16.545  1496.00  166.140  1705.88  239.571  1301.55  230.601  305.440   22.192  265.804   24.546 39.63568 33.09027 
1 1 1  -18   12   32 o  416.516   18.650  3238.03  274.517  3310.40  391.931  3168.33  384.623  421.121   26.332  411.912   26.419 9.208191 37.30035 
1 1 1  -18   12   34 o  469.251   18.606  4148.29  305.951  4855.31  441.250  3493.65  424.590  509.711   24.493  428.791   28.016 80.92038 37.21280 
1 1 1  -18   12   36 o  455.227   16.031  3769.91  243.149  4241.17  430.548  3549.22  294.631  471.593   25.831  438.861   18.995 32.73264 32.06265 
1 1 1  -18   12   38 o  209.482   15.990  877.202   88.893  767.970  203.493  902.961   98.820  195.641   29.429  223.323   12.520 -27.68195 31.98091 
1 1 1  -18   12   40 o  255.075   15.185  1261.85  109.132  1255.73  239.300  1263.46  122.627  247.599   27.345  262.552   13.214 -14.95280 30.37036 
1 1 1  -18   13    1 o  216.013   16.415  846.810  124.939  787.415  178.994  903.244  174.474  208.362   24.305  223.665   22.071 -15.30293 32.83072 
1 1 1  -18   13    3 o  277.654   14.865  1401.90  136.257  1350.26  237.392  1427.27  166.395  272.827   24.618  282.480   16.666 -9.653168 29.72911 
1 1 1  -18   13    5 o  156.443   13.755  436.267   70.682  448.688  126.485  430.626   85.232  157.592   22.708  155.293   15.528 2.299561 27.50992 
1 1 1  -18   13    7 o  286.523   16.211  1579.91  147.837  1239.60  257.830  1746.60  180.447  260.466   28.007  312.579   16.333 -52.11292 32.42141 
1 1 1  -18   13    9 o  211.886   15.560  874.295  103.731  653.741  181.501  981.278  126.410  189.318   27.125  234.453   15.255 -45.13493 31.12016 
1 1 1  -18   13   11 o  158.599   17.469  515.585   82.655  347.090  146.144  594.829  100.225  134.711   31.292  182.487   15.539 -47.77629 34.93820 
1 1 1  -18   13   13 o  189.552   16.208  699.109   96.911  529.345  169.457  781.617  118.136  170.014   28.200  209.091   15.986 -39.07671 32.41609 
1 1 1  -18   13   15 o  127.161   15.883  309.756   61.576  271.112  115.423  325.129   72.801  119.422   27.856  134.900   15.269 -15.47720 31.76655 
1 1 1  -18   13   17 o  186.602   16.455  634.500  107.983  586.017  156.334  678.736  149.329  179.461   24.647  193.743   21.807 -14.28226 32.90932 
1 1 1  -18   13   19 o  241.059   16.485  1056.16  140.312  1013.18  199.749  1098.02  197.139  236.036   23.943  246.082   22.666 -10.04585 32.97014 
1 1 1  -18   13   21 o  275.418   16.878  1381.97  164.135  1332.28  234.275  1429.88  230.027  270.329   24.520  280.507   23.201 -10.17740 33.75680 
1 1 1  -18   13   23 o  154.982   17.504  447.913   92.812  404.839  135.615  485.863  127.292  146.312   27.227  163.652   22.007 -17.33961 35.00846 
1 1 1  -18   13   25 o  330.852   17.321  2004.21  202.534  2016.54  288.237  1992.18  284.650  331.818   24.577  329.885   24.413 1.933075 34.64164 
1 1 1  -18   13   27 o  314.811   17.172  1817.98  191.000  1886.05  273.132  1752.83  267.195  320.664   24.099  308.958   24.469 11.70630 34.34361 
1 1 1  -18   13   29 o  108.889   18.356  220.246   68.971  279.073  109.174  181.173   88.976  120.554   26.357   97.224   25.556 23.33020 36.71275 
1 1 1  -18   13   31 o  206.032   22.906  782.899  166.801   0.0000   0.0000  782.899  166.801  ?   ?   206.032   22.906      ?      ? 
1 1 1  -18   13   33 o   84.693   19.808  128.819   63.224  136.021  125.026  126.345   73.284   87.985   31.593   81.400   23.902 6.584694 39.61567 
1 1 1  -18   13   35 o  380.332   14.174  2535.09  179.828  3130.23  323.361  2268.62  216.373  408.722   22.384  351.941   17.395 56.78162 28.34813 
1 1 1  -18   13   37 o   58.210   14.792   11.248   16.022  159.019   94.933   6.9151   16.255   88.875   27.454   27.546   11.020 61.32823 29.58328 
1 1 1  -18   13   39 o  255.141   12.613  1104.90   95.349  1472.82  211.098  1010.60  106.872  275.245   21.699  235.038   12.865 40.20665 25.22626 
1 1 1  -18   14    2 o  220.538   13.868  882.401  101.068  854.269  176.038  896.233  123.439  217.168   22.935  223.909   15.598 -6.741058 27.73600 
1 1 1  -18   14    4 o   47.674   12.358   34.229   26.446   1.6445   53.581   44.723   30.408   45.218   19.214   50.131   15.547 -4.913525 24.71607 
1 1 1  -18   14    6 o  336.963   18.389  2082.62  217.181  1798.31  309.196  2359.50  305.125  313.333   27.920  360.593   23.941 -47.25977 36.77863 
1 1 1  -18   14    8 o  253.218   14.657  1170.04  122.273  1115.58  213.247  1196.71  149.244  247.825   24.345  258.611   16.328 -10.78653 29.31383 
1 1 1  -18   14   10 o  172.901   15.194  550.862   85.319  510.709  151.466  569.523  103.259  167.415   25.598  178.388   16.377 -10.97289 30.38839 
1 1 1  -18   14   12 o  306.467   16.967  1705.84  183.775  1733.87  260.657  1678.14  259.145  309.015   23.865  303.920   24.125 5.095276 33.93470 
1 1 1  -18   14   14 o   89.963   16.657  149.815   54.468  195.820   79.863  109.805   74.477  102.055   22.724   77.871   24.360 24.18416 33.31395 
1 1 1  -18   14   16 o  463.288   27.278  3936.44  446.668  3936.44  446.668   0.0000   0.0000  463.288   27.278  ?   ?       ?      ? 
1 1 1  -18   14   18 o  139.269   17.782  360.659   85.264  346.116  125.132  373.264  116.495  135.174   27.134  143.364   22.990 -8.190002 35.56424 
1 1 1  -18   14   20 o  500.735   19.765  4618.15  349.713  4755.32  496.490  4483.09  492.669  508.345   27.633  493.126   28.267 15.21884 39.52988 
1 1 1  -18   14   22 o  287.469   17.864  1526.22  179.556  1301.46  257.225  1739.82  250.759  265.767   27.384  309.171   22.948 -43.40433 35.72758 
1 1 1  -18   14   24 o  224.458   16.013  918.268  124.335  1180.12  181.926  688.755  170.320  255.200   20.169  193.717   24.876 61.48280 32.02517 
1 1 1  -18   14   26 f  108.557   18.646  221.646   69.806  253.609  110.577  200.469   90.009  114.714   27.607  102.400   25.071 12.31318 37.29168 
1 1 1  -18   14   28 o  173.154   17.701  560.182  106.977  505.250  158.816  605.806  144.738  164.570   27.304  181.738   22.533 -17.16779 35.40102 
1 1 1  -18   14   30 o   84.343   17.137  110.330   54.891  223.442   95.186   53.973   67.189  107.484   25.450   61.202   22.958 46.28156 34.27457 
1 1 1  -18   14   32 o  293.937   14.912  1601.73  142.825  1576.81  255.446  1613.06  172.268  289.748   24.944  298.126   16.349 -8.378082 29.82385 
1 1 1  -18   14   34 o  203.622   16.034  820.193  101.606  681.313  185.500  879.718  121.444  187.440   28.000  219.805   15.632 -32.36546 32.06833 
1 1 1  -18   14   36 o  157.382   12.509  404.344   63.332  606.035  125.339  335.195   73.390  179.600   19.745  135.163   15.362 44.43721 25.01740 
1 1 1  -18   14   38 o  185.802   14.696  639.923   92.713  940.956  145.910  436.078  120.068  222.646   18.542  148.958   22.806 73.68892 29.39212 
1 1 1  -18   15    1 o  280.413   13.347  1351.63  125.919  1621.48  221.591  1222.93  153.027  299.587   20.927  261.240   16.573 38.34631 26.69485 
1 1 1  -18   15    3 o  186.737   15.097  659.275   90.119  557.716  159.917  706.535  109.090  174.725   25.895  198.748   15.530 -24.02264 30.19491 
1 1 1  -18   15    5 o  118.977   14.843  256.346   56.782  270.462  101.259  249.872   68.579  119.839   24.727  118.115   16.427 1.723358 29.68627 
1 1 1  -18   15    7 o   75.993   16.220  104.645   48.894   66.595   70.563  139.787   67.813   65.717   23.718   86.269   22.132 -20.55209 32.43984 
1 1 1  -18   15    9 o   79.425   16.762  116.132   50.629  121.117   72.633  111.421   70.610   80.894   23.807   77.956   23.601 2.937630 33.52311 
1 1 1  -18   15   11 o  373.669   17.795  2547.03  235.019  2564.42  332.796  2529.73  331.940  374.967   25.111  372.372   25.221 2.595215 35.59023 
1 1 1  -18   15   13 o   58.098   14.961   47.993   41.604   12.533   63.902   74.083   54.813   51.338   21.343   64.859   20.971 -13.52089 29.92146 
1 1 1  -18   15   17 o  233.910   16.701  998.047  137.771  938.365  196.741  1055.47  192.988  226.760   24.548  241.060   22.651 -14.30060 33.40133 
1 1 1  -18   15   19 o  213.141   16.333  824.921  122.712  913.587  177.909  744.459  169.479  224.212   22.450  202.070   23.730 22.14128 32.66661 
1 1 1  -18   15   21 o  135.080   17.242  338.162   79.253  450.887  117.091  242.860  107.662  157.617   21.018  112.542   27.337 45.07510 34.48332 
1 1 1  -18   15   23 o  117.175   18.498  262.915   74.428  257.453  110.606  267.435  100.616  115.711   27.458  118.639   24.793 -2.928200 36.99508 
1 1 1  -18   15   25 o  131.775   18.580  327.843   83.199  380.937  125.056  285.681  111.440  141.558   25.951  121.991   26.596 19.56662 37.15933 
1 1 1  -18   15   27 o  282.567   17.063  1473.81  170.238  1568.14  244.884  1385.59  236.823  291.491   23.769  273.644   24.486 17.84677 34.12543 
1 1 1  -18   15   29 o  350.283   18.292  2302.85  225.998  2179.90  323.192  2420.49  316.145  340.335   26.868  360.232   24.830 -19.89624 36.58458 
1 1 1  -18   15   31 o  189.064   14.740  641.920   89.675  707.517  168.532  616.013  105.912  193.987   24.580  184.141   16.273 9.845566 29.47914 
1 1 1  -18   15   33 o  138.926   17.900  408.197   74.054  303.800  139.831  448.891   87.302  120.987   32.151  156.865   15.746 -35.87782 35.79986 
1 1 1  -18   15   35 o  252.134   13.536  1167.12  112.069  1265.89  202.235  1123.34  134.632  257.069   22.258  247.199   15.409 9.870163 27.07145 
1 1 1  -18   15   37 o  111.892   16.206  249.152   55.218  253.819  110.059  247.582   63.833  108.522   28.374  115.262   15.669 -6.740555 32.41284 
1 1 1  -18   16    2 o  217.377   14.772  881.591  104.578  780.031  182.154  931.525  127.725  206.689   24.935  228.065   15.845 -21.37686 29.54326 
1 1 1  -18   16    4 o  273.323   16.932  1359.01  163.349  1264.30  227.543  1459.72  234.641  263.335   24.447  283.310   23.433 -19.97443 33.86394 
1 1 1  -18   16    6 o  284.986   17.259  1485.29  171.942  1224.20  240.227  1759.54  246.209  258.520   26.291  311.452   22.366 -52.93219 34.51765 
1 1 1  -18   16    8 o  187.027   15.976  632.777  103.647  807.318  152.355  482.404  141.414  211.421   20.389  162.633   24.602 48.78801 31.95207 
1 1 1  -18   16   10 o  116.024   17.108  241.750   69.137  342.441  106.763  169.032   90.730  137.442   21.978   94.606   26.224 42.83647 34.21570 
1 1 1  -18   16   12 o  203.737   16.253  755.381  116.868  796.273  164.593  713.802  165.968  209.487   22.230  197.986   23.717 11.50111 32.50659 
1 1 1  -18   16   14 o  378.661   25.371  2623.90  339.548   0.0000   0.0000  2623.90  339.548  ?   ?   378.661   25.371      ?      ? 
1 1 1  -18   16   16 o  207.034   16.389  780.618  119.597  858.030  171.326  707.042  167.027  217.270   22.310  196.798   24.013 20.47278 32.77752 
1 1 1  -18   16   18 o  124.023   18.506  301.854   80.868  169.495  117.532  420.848  111.440   95.712   30.683  152.333   20.698 -56.62115 37.01160 
1 1 1  -18   16   20 o  243.086   17.029  1087.39  145.593  980.446  207.721  1190.66  204.126  230.774   25.467  255.397   22.613 -24.62343 34.05742 
1 1 1  -18   16   22 o  207.963   16.858  796.045  123.574  745.950  177.038  843.642  172.568  201.214   24.894  214.712   22.740 -13.49747 33.71619 
1 1 1  -18   16   24 o  256.301   12.843  1134.49  109.943  1358.99  196.442  1032.10  132.666  273.121   20.350  239.481   15.674 33.64027 25.68609 
1 1 1  -18   16   26 o  374.986   15.052  2542.40  187.540  2690.14  329.907  2471.87  227.954  380.673   24.520  369.300   17.464 11.37332 30.10353 
1 1 1  -18   16   28 o  459.347   17.076  3879.55  261.301  4111.57  456.791  3766.70  318.571  465.506   27.763  453.188   19.889 12.31799 34.15209 
1 1 1  -18   16   30 o  200.712   24.245  759.074  171.993  759.074  171.993   0.0000   0.0000  200.712   24.245  ?   ?       ?      ? 
1 1 1  -18   16   32 o  116.126   17.314  274.565   64.148  231.371  118.040  292.667   76.416  106.116   30.089  126.137   17.141 -20.02099 34.62838 
1 1 1  -18   16   34 o  293.787   17.941  1703.68  185.999  1665.58  268.240  1738.96  258.136  289.601   26.206  297.973   24.510 -8.372101 35.88207 
1 1 1  -18   16   36 f  273.939   16.366  1408.57  158.459   0.0000   0.0000  1408.57  158.459  ?   ?   273.939   16.366      ?      ? 
1 1 1  -18   17    5 o  154.118   28.018  450.126  147.000   0.0000   0.0000  450.126  147.000  ?   ?   154.118   28.018      ?      ? 
1 1 1  -18   17    7 o   83.372   28.650  119.607  102.032   0.0000   0.0000  119.607  102.032  ?   ?    83.372   28.650      ?      ? 
1 1 1  -18   17    9 o  331.782   17.408  2011.07  203.400  1792.63  282.950  2244.66  292.593  312.699   25.601  350.865   23.594 -38.16537 34.81537 
1 1 1  -18   17   11 o  325.546   17.665  1942.19  202.537  1739.66  283.404  2153.60  289.556  307.686   26.060  343.407   23.856 -35.72104 35.33075 
1 1 1  -18   17   13 o  392.565   26.379  2838.60  366.007   0.0000   0.0000  2838.60  366.007  ?   ?   392.565   26.379      ?      ? 
1 1 1  -18   17   15 f  121.416   18.314  282.543   78.633  171.388  111.201  393.708  111.206   95.666   29.740  147.166   21.380 -51.50024 36.62732 
1 1 1  -18   17   17 o  278.162   16.944  1418.11  166.247  1539.41  237.996  1302.52  232.324  290.084   23.213  266.239   24.689 23.84457 33.88762 
1 1 1  -18   17   19 o   60.617   14.606   64.866   35.350   21.807   77.223   76.281   39.761   57.270   23.605   63.964   17.210 -6.693764 29.21259 
1 1 1  -18   17   21 o  253.822   15.084  1178.52  126.017  1170.84  222.230  1182.16  152.992  251.684   24.982  255.960   16.911 -4.276154 30.16770 
1 1 1  -18   17   23 o  198.884   12.928  681.561   85.646  828.250  154.240  616.170  102.981  212.893   20.498  184.874   15.760 28.01920 25.85644 
1 1 1  -18   17   25 o  384.775   15.646  2688.10  200.885  2868.28  350.937  2600.29  244.995  391.662   25.351  377.888   18.343 13.77325 31.29139 
1 1 1  -18   17   27 f   66.595   15.730   82.089   46.620 -10.9871   92.674  113.622   53.942   55.990   24.526   77.201   19.703 -21.21070 31.45979 
1 1 1  -18   17   29 o  193.538   14.560  688.652   92.308  716.837  165.818  675.995  111.117  194.609   24.107  192.468   16.334 2.141281 29.11996 
1 1 1  -18   17   31 o  182.977   12.714  609.557   75.562  649.477  138.610  592.677   90.133  185.532   21.138  180.423   14.134 5.109238 25.42784 
1 1 1  -18   17   33 o  312.918   14.660  1891.71  150.093  1820.78  263.428  1925.80  182.638  303.688   24.542  322.149   16.040 -18.46176 29.31926 
1 1 1  -18   17   35 o  198.780   16.464  786.239  115.312  864.686  171.092  720.945  156.091  207.798   23.295  189.763   23.273 18.03438 32.92852 
1 1 1  -18   18    2 o  130.399   25.366  322.488  112.699  322.488  112.699   0.0000   0.0000  130.399   25.366  ?   ?       ?      ? 
1 1 1  -18   18    4 o  111.156   25.495  235.814   98.031  235.814   98.031   0.0000   0.0000  111.156   25.495  ?   ?       ?      ? 
1 1 1  -18   18   12 o   96.000   31.753  169.030  125.359   0.0000   0.0000  169.030  125.359  ?   ?    96.000   31.753      ?      ? 
1 1 1  -18   18   14 o  305.291   23.717  1709.99  255.915   0.0000   0.0000  1709.99  255.915  ?   ?   305.291   23.717      ?      ? 
1 1 1  -18   18   16 o  139.729   13.395  329.375   63.494  448.083  110.471  270.817   77.589  157.049   19.902  122.408   17.934 34.64118 26.79001 
1 1 1  -18   18   18 o  250.312   14.906  1178.67  121.938  1045.04  210.854  1245.81  149.468  237.643   25.104  262.980   16.081 -25.33685 29.81234 
1 1 1  -18   18   20 o  311.750   15.661  1866.64  158.169  1558.19  272.155  2023.95  194.364  288.725   26.669  334.775   16.426 -46.05005 31.32214 
1 1 1  -18   18   22 o  185.530   16.752  665.110   99.377  568.766  175.907  710.273  120.438  173.167   28.741  197.893   17.219 -24.72545 33.50417 
1 1 1  -18   18   24 o  174.052   15.675  565.928   88.892  548.455  158.245  573.984  107.445  170.440   26.269  177.663   17.111 -7.223618 31.35007 
1 1 1  -18   18   26 o  102.602   15.605  211.437   50.570  171.308   96.008  226.846   59.492   93.339   27.344  111.866   15.047 -18.52688 31.21014 
1 1 1  -18   18   28 o  219.825   15.286  929.440  109.353  845.818  191.077  970.168  133.349  209.507   25.804  230.142   16.394 -20.63464 30.57122 
1 1 1  -18   18   30 o  166.292   17.920  541.088  105.021  490.452  146.244  595.008  150.911  157.679   26.241  174.905   24.412 -17.22583 35.84053 
1 1 1  -18   18   32 o  113.214   16.381  275.908   58.223  208.591  107.519  303.838   69.256   98.453   28.963  127.976   15.311 -29.52279 32.76142 
1 1 1  -18   18   34 o   75.591   15.528  121.749   42.491   89.568   83.383  133.038   49.384   68.984   25.634   82.198   17.533 -13.21391 31.05696 
1 1 1  -18   19    1 o  178.976   18.212  580.172  111.635  541.973  139.639  647.826  185.835  171.837   22.992  186.114   28.251 -14.27742 36.42405 
1 1 1  -18   19    3 o  184.083   17.721  607.266  112.532  546.157  141.797  711.237  184.956  172.493   23.258  195.673   26.743 -23.17970 35.44226 
1 1 1  -18   19    5 f  137.866   18.292  334.276   84.831  269.593  104.860  456.792  144.314  118.671   25.741  157.060   25.997 -38.38972 36.58472 
1 1 1  -18   19    7 o   98.733   15.691  187.236   51.961  172.450   86.058  195.719   65.183   94.976   25.215  102.491   18.683 -7.514236 31.38179 
1 1 1  -18   19    9 o   49.963   13.280   34.131   32.329   0.0001   57.435   49.960   39.114   46.210   19.771   53.716   17.735 -7.505146 26.55951 
1 1 1  -18   19   11 o   75.084   16.270  105.676   48.571   68.648   76.102  131.127   63.093   66.959   24.560   83.209   21.348 -16.24973 32.54097 
1 1 1  -18   19   13 o  157.613   21.823  454.721  121.568   0.0000   0.0000  454.721  121.568  ?   ?   157.613   21.823      ?      ? 
1 1 1  -18   19   15 o   82.855   21.670  130.367   64.182   0.0000   0.0000  130.367   64.182  ?   ?    82.855   21.670      ?      ? 
1 1 1  -18   19   17 o  110.799   22.717  233.744   85.976   0.0000   0.0000  233.744   85.976  ?   ?   110.799   22.717      ?      ? 
1 1 1  -18   19   19 o  205.989   15.268  765.651  111.158   0.0000   0.0000  765.651  111.158  ?   ?   205.989   15.268      ?      ? 
1 1 1  -18   19   21 o  184.912   15.944  619.461  104.206   0.0000   0.0000  619.461  104.206  ?   ?   184.912   15.944      ?      ? 
1 1 1  -18   19   23 o  105.246   16.049  215.237   57.081  192.549   94.238  228.384   71.737   98.842   26.453  111.650   18.179 -12.80780 32.09754 
1 1 1  -18   19   25 o   36.545   10.761   1.9708   24.873 -67.5245   49.900   24.945   28.691   32.046   15.360   41.043   15.076 -8.996235 21.52229 
1 1 1  -18   19   27 o  208.967   14.826  850.386  101.146  743.433  173.409  905.535  124.522  195.841   25.052  222.093   15.863 -26.25230 29.65226 
1 1 1  -18   19   29 o  201.254   17.838  867.937  108.534  623.274  184.144  998.171  134.350  170.723   31.684  231.785   16.400 -61.06194 35.67648 
1 1 1  -18   19   31 o  244.967   17.901  1225.38  151.008  935.510  211.273  1528.15  215.919  211.122   28.313  278.811   21.911 -67.68912 35.80120 
1 1 1  -18   20    2 o   59.318   17.057   39.838   46.295   51.885   50.019 -32.1351  122.261   56.608   20.019   62.027   27.623 -5.419033 34.11412 
1 1 1  -18   20    4 o  116.373   17.651  259.734   68.922  260.412  111.162  259.311   87.845  115.656   27.581  117.090   22.035 -1.434319 35.30244 
1 1 1  -18   20    6 o  181.550   13.253  616.448   80.750  537.513  131.959  663.700  102.098  171.084   21.823  192.016   15.044 -20.93228 26.50567 
1 1 1  -18   20    8 o   63.501   13.032   63.242   30.605  115.443   53.732   38.176   37.234   78.107   19.519   48.894   17.274 29.21367 26.06473 
1 1 1  -18   20   10 o   50.745   12.831   39.044   26.967   43.957   50.891   37.126   31.798   54.452   20.067   47.038   15.997 7.413364 25.66276 
1 1 1  -18   20   12 o   50.904   17.526   43.160   38.189   0.0000   0.0000   43.160   38.189  ?   ?    50.904   17.526      ?      ? 
1 1 1  -18   20   14 o  191.654   15.858  675.756  102.729  688.320  172.786  668.886  127.762  191.814   25.486  191.495   18.877 0.3184052 31.71565 
1 1 1  -18   20   16 f  352.772   17.908  2334.56  223.195  2313.94  319.165  2354.29  312.240  350.917   25.733  354.627   24.911 -3.710175 35.81571 
1 1 1  -18   20   18 o  118.187   19.144  288.630   84.352  131.113  127.157  412.421  112.726   87.079   31.776  149.296   21.363 -62.21686 38.28899 
1 1 1  -18   20   20 o   71.483   20.798   96.939   55.715   0.0000   0.0000   96.939   55.715  ?   ?    71.483   20.798      ?      ? 
1 1 1  -18   20   22 o   69.409   20.609   91.491   54.230   0.0000   0.0000   91.491   54.230  ?   ?    69.409   20.609      ?      ? 
1 1 1  -18   20   24 o   88.560   22.498  154.497   70.559   0.0000   0.0000  154.497   70.559  ?   ?    88.560   22.498      ?      ? 
1 1 1  -18   20   26 o  203.591   16.037  766.414  115.398   0.0000   0.0000  766.414  115.398  ?   ?   203.591   16.037      ?      ? 
1 1 1  -18   20   28 o  224.566   15.408  937.108  122.294   0.0000   0.0000  937.108  122.294  ?   ?   224.566   15.408      ?      ? 
1 1 1  -18   20   30 o  172.169   18.030  665.093   93.599  456.282  157.018  780.192  116.576  141.053   32.204  203.284   16.225 -62.23029 36.06006 
1 1 1  -18   21    1 o  121.299   14.314  279.949   58.015  249.515   90.785  300.955   75.424  113.886   23.338  128.712   16.579 -14.82639 28.62786 
1 1 1  -18   21    3 o  195.136   15.801  629.570   96.448  355.530  117.874  1184.71  167.769  135.692   25.514  254.580   18.645 -118.8886 31.60113 
1 1 1  -18   21    5 o   98.533   14.870  190.833   50.241  141.961   78.961  224.077   65.124   85.940   24.689  111.125   16.581 -25.18459 29.74048 
1 1 1  -18   21    7 o  282.661   13.786  1433.65  133.006  1582.35  222.919  1351.44  165.741  292.685   21.549  272.637   17.200 20.04764 27.57156 
1 1 1  -18   21    9 o  235.334   13.581  1018.59  108.312  998.262  179.461  1030.24  135.843  232.258   21.861  238.411   16.121 -6.152817 27.16270 
1 1 1  -18   21   11 o  167.999   17.813  514.822  105.771   0.0000   0.0000  514.822  105.771  ?   ?   167.999   17.813      ?      ? 
1 1 1  -18   21   13 o  239.471   14.470  1089.14  114.526  960.353  193.247  1158.87  142.187  226.230   24.168  252.712   15.919 -26.48282 28.93972 
1 1 1  -18   21   15 o  288.999   14.220  1604.58  134.388  1357.50  228.151  1735.85  166.298  268.582   24.034  309.417   15.206 -40.83502 28.44058 
1 1 1  -18   21   17 o  211.333   14.559  850.383  102.490  760.088  170.894  901.104  128.081  200.421   24.125  222.247   16.305 -21.82605 29.11819 
1 1 1  -18   21   19 o  129.731   15.228  323.534   65.078  307.108  106.951  333.192   82.006  124.822   25.112  134.640   17.233 -9.817780 30.45628 
1 1 1  -18   21   21 o   36.124   10.825   6.3333   20.617  -1.6375   44.458   8.5171   23.271   39.916   17.240   32.331   13.097 7.585152 21.65027 
1 1 1  -18   21   23 o  186.602   17.727  690.764  115.153  578.013  165.154  797.438  160.641  169.684   27.538  203.520   22.332 -33.83505 35.45483 
1 1 1  -18   21   25 o  127.298   18.415  339.370   81.118  251.708  117.422  419.399  112.193  107.599   29.836  146.998   21.594 -39.39905 36.83023 
1 1 1  -18   21   27 o   69.705   20.953   97.398   55.798   0.0000   0.0000   97.398   55.798  ?   ?    69.705   20.953      ?      ? 
1 1 1  -18   22    2 o  212.357   13.208  863.246   94.087  705.383  150.004  965.631  120.804  194.092   21.866  230.622   14.820 -36.52977 26.41553 
1 1 1  -18   22    4 o  119.621   14.620  263.844   59.801  330.800   91.819  214.521   78.807  133.790   19.417  105.453   21.862 28.33672 29.23972 
1 1 1  -18   22    6 o  117.471   13.677  257.032   54.731  264.658   85.049  251.641   71.504  117.693   21.226  117.248   17.255 0.4454498 27.35471 
1 1 1  -18   22    8 o  174.695   12.462  551.243   75.959  611.527  119.357  510.207   98.475  182.268   18.527  167.122   16.671 15.14639 24.92388 
1 1 1  -18   22   10 o   72.054   20.078   99.297   53.039   0.0000   0.0000   99.297   53.039  ?   ?    72.054   20.078      ?      ? 
1 1 1  -18   22   12 o  205.059   12.952  773.552   90.569  782.426  149.097  768.363  114.016  204.861   20.592  205.256   15.716 -0.3946381 25.90390 
1 1 1  -18   22   14 o   70.424   13.771  100.921   36.864   52.830   62.603  126.449   45.610   59.079   22.161   81.769   16.353 -22.69030 27.54123 
1 1 1  -18   22   16 o   64.165   12.694   65.329   28.650  120.459   53.248   42.867   33.989   78.909   19.261   49.420   16.540 29.48908 25.38811 
1 1 1  -18   22   18 o  119.213   13.765  260.874   56.774  297.178   92.135  238.651   72.086  125.237   20.815  113.188   18.019 12.04922 27.53063 
1 1 1  -18   22   20 o  152.766   16.949  494.622   80.286  359.815  134.141  569.870  100.219  130.232   29.789  175.299   16.175 -45.06743 33.89709 
1 1 1  -18   22   22 o   94.745   16.104  183.719   52.236  173.593   85.231  189.811   66.106   91.303   25.455   98.187   19.733 -6.883820 32.20845 
1 1 1  -18   22   24 o  117.877   14.917  274.364   59.640  282.390   93.760  268.910   77.293  117.273   23.440  118.481   18.457 -1.208878 29.83471 
1 1 1  -18   23    1 o   48.116   11.625   36.940   24.257   57.072   36.730   21.367   32.305   55.330   17.074   40.902   15.781 14.42830 23.24999 
1 1 1  -18   23    3 o  116.824   13.909  252.770   54.357  370.870   83.820  167.054   71.409  141.702   16.736   91.945   22.221 49.75607 27.81816 
1 1 1  -18   23    5 o  105.580   14.793  218.561   53.144  188.414   81.772  240.605   69.926   97.158   23.962  114.003   17.354 -16.84528 29.58650 
1 1 1  -18   23    7 o   90.559   15.663  161.372   50.000  189.421   71.926  135.141   69.555   98.427   21.294   82.692   22.975 15.73500 31.32548 
1 1 1  -18   23    9 o  124.855   13.179  286.020   57.285  318.964   90.794  264.234   73.836  130.337   19.709  119.374   17.500 10.96287 26.35725 
1 1 1  -18   23   11 o   80.680   15.115  126.551   44.001  153.451   65.121  103.955   59.686   88.320   21.142   73.039   21.606 15.28059 30.22936 
1 1 1  -18   23   13 o   34.261   9.6961   7.4179   15.582   24.629   32.141   2.1302   17.815   41.921   15.846   26.600   11.179 15.32118 19.39222 
1 1 1  -18   23   15 o  171.388   14.528  569.569   84.613  522.558  135.923  599.311  108.115  163.540   23.515  179.237   17.066 -15.69707 29.05561 
1 1 1  -18   23   17 o  210.506   13.204  837.329   95.342  850.933  154.622  828.984  121.105  210.150   20.817  210.862   16.250 -0.7115021 26.40849 
1 1 1  -18   23   19 o  237.204   13.557  1084.38  109.030  1053.00  179.153  1102.84  137.406  231.664   21.880  242.745   16.015 -11.08055 27.11497 
1 1 1  -18   23   21 o   99.445   17.683  205.722   61.255  234.191   96.517  186.521   79.263  104.462   26.190   94.429   23.767 10.03301 35.36648 
1 1 1  -18   24    2 o   41.588   10.751   22.473   22.571  -4.4582   33.289   45.389   30.708   33.693   14.730   49.484   15.665 -15.79147 21.50274 
1 1 1  -18   24    4 o  195.958   19.117  769.279  127.077  730.883  157.894  839.886  214.111  192.636   23.190  199.280   30.399 -6.643539 38.23450 
1 1 1  -18   24    6 o   71.431   14.426  100.798   38.077  102.326   57.144   99.578   51.066   71.832   21.110   71.030   19.668 0.8014603 28.85285 
1 1 1  -18   24    8 o   66.570   13.981   85.888   35.234   97.443   52.446   76.383   47.567   70.239   20.105   62.901   19.434 7.338360 27.96222 
1 1 1  -18   24   10 o   70.442   14.266   96.542   37.903  123.811   55.658   72.958   51.760   78.888   19.949   61.996   20.398 16.89171 28.53181 
1 1 1  -18   24   12 o   95.964   15.098  184.654   49.510  188.902   75.621  181.467   65.499   96.305   22.604   95.622   20.022 0.6826096 30.19653 
1 1 1  -18   24   14 o   68.904   13.855   90.056   36.002  128.700   55.268   61.572   47.450   80.239   19.646   57.569   19.542 22.67004 27.70981 
1 1 1  -18   24   16 f  159.147   17.905  527.677   96.882  443.548  137.868  609.750  136.172  143.090   28.263  175.204   21.990 -32.11418 35.81003 
1 1 1  -17    0    1 o  715.813   16.469  9108.18  587.841  9108.18  587.841  9108.18  587.841  715.813   23.291  715.813   23.291 -0.000000 0.000000 
1 1 1  -17    0    3 o  178.177   16.768  591.552  141.935  591.552  141.935  591.552  141.935  178.177   23.713  178.177   23.713 -0.000000 0.000000 
1 1 1  -17    0    5 o  300.974   16.846  1634.98  249.784  1634.98  249.784  1634.98  249.784  300.974   23.824  300.974   23.824 -0.000000 0.000000 
1 1 1  -17    0    7 o  1466.50   28.028 38376.03  2051.09 38376.03  2051.09 38376.03  2051.09  1466.50   39.637  1466.50   39.637 -0.000000 0.000000 
1 1 1  -17    0    9 o  547.578   14.232  5330.75  388.349  5330.75  388.349  5330.75  388.349  547.578   20.128  547.578   20.128 -0.000000 0.000000 
1 1 1  -17    0   11 o  900.257   18.991 14412.75  852.846 14412.75  852.846 14412.75  852.846  900.257   26.857  900.257   26.857 -0.000000 0.000000 
1 1 1  -17    0   15 f  376.464   17.674  2547.17  329.205  2547.17  329.205  2547.17  329.205  376.464   24.994  376.464   24.994 -0.000000 0.000000 
1 1 1  -17    0   17 o  845.906   26.031 12841.91  1095.92 12841.91  1095.92 12841.91  1095.92  845.906   36.814  845.906   36.814 -0.000000 0.000000 
1 1 1  -17    0   19 o  576.547   20.783  5965.33  595.386  5965.33  595.386  5965.33  595.386  576.547   29.392  576.547   29.392 -0.000000 0.000000 
1 1 1  -17    0   31 o  723.429   23.918  9563.37  860.586  9563.37  860.586  9563.37  860.586  723.429   33.826  723.429   33.826 -0.000000 0.000000 
1 1 1  -17    0   33 o  152.483   17.459  447.456  122.605  447.456  122.605  447.456  122.605  152.483   24.691  152.483   24.691 -0.000000 0.000000 
1 1 1  -17    0   35 o  198.046   16.722  732.612  159.301  732.612  159.301  732.612  159.301  198.046   23.649  198.046   23.649 -0.000000 0.000000 
1 1 1  -17    0   37 o  486.585   19.602  4329.79  473.210  4329.79  473.210  4329.79  473.210  486.585   27.721  486.585   27.721 -0.000000 0.000000 
1 1 1  -17    0   39 f  108.197   20.136  250.169   94.087  250.169   94.087  250.169   94.087  108.197   28.476  108.197   28.476 -0.000000 0.000000 
1 1 1  -17    0   41 o  377.641   18.142  2633.50  338.817  2633.50  338.817  2633.50  338.817  377.641   25.656  377.641   25.656 -0.000000 0.000000 
1 1 1  -17    0   43 o   62.335   19.763  103.171   65.689  103.171   65.689  103.171   65.689   62.335   27.949   62.335   27.949 -0.000000 0.000000 
1 1 1  -17    0   45 o   40.786   16.463   41.154   52.721   41.154   52.721   41.154   52.721   40.786   23.283   40.786   23.283 -0.000000 0.000000 
1 1 1  -17    0   47 o   40.558   16.482   41.521   53.360   41.521   53.360   41.521   53.360   40.558   23.309   40.558   23.309 -0.000000 0.000000 
1 1 1  -17    1    2 o  993.274   20.485 17580.12  719.159 17644.58  1017.07 17515.67  1017.02  995.110   28.917  991.439   29.023 3.671387 40.97015 
1 1 1  -17    1    4 o  697.850   16.092  8651.48  396.767  8917.51  561.191  8385.61  561.035  708.632   22.406  687.068   23.103 21.56372 32.18372 
1 1 1  -17    1    6 f  802.241   17.586 11444.61  498.428 11822.27  704.942 11067.07  704.825  815.558   24.456  788.924   25.277 26.63336 35.17106 
1 1 1  -17    1    8 o  1121.88   22.428 22460.56  889.328 22388.43  1257.71 22532.68  1257.69  1120.06   31.770  1123.70   31.667 -3.637939 44.85667 
1 1 1  -17    1   10 o  349.262   12.041  2162.14  148.615  2203.40  210.185  2120.89  210.162  352.604   16.865  345.920   17.189 6.683868 24.08134 
1 1 1  -17    1   12 o  1464.63   35.327 39200.58  1714.61 39774.91  2100.01 38052.07  2969.67  1487.68   39.939  1441.59   58.284 46.08789 70.65460 
1 1 1  -17    1   14 o  755.516   24.073 10227.95  642.673 10485.19  908.799  9970.62  908.955  765.152   33.605  745.880   34.479 19.27209 48.14635 
1 1 1  -17    1   16 o  369.331   17.394  2435.21  226.366  2651.28  320.107  2219.08  320.154  385.885   23.470  352.776   25.677 33.10916 34.78709 
1 1 1  -17    1   18 o  461.690   26.418  3810.04  431.098   0.0000   0.0000  3810.04  431.098  ?   ?   461.690   26.418      ?      ? 
1 1 1  -17    1   20 o  274.183   22.896  1342.91  221.883   0.0000   0.0000  1342.91  221.883  ?   ?   274.183   22.896      ?      ? 
1 1 1  -17    1   28 o  394.796   25.284  2827.89  352.807   0.0000   0.0000  2827.89  352.807  ?   ?   394.796   25.284      ?      ? 
1 1 1  -17    1   30 o  340.764   24.264  2108.28  292.235   0.0000   0.0000  2108.28  292.235  ?   ?   340.764   24.264      ?      ? 
1 1 1  -17    1   32 f  395.888   25.437  2860.55  355.921   0.0000   0.0000  2860.55  355.921  ?   ?   395.888   25.437      ?      ? 
1 1 1  -17    1   34 o  302.235   16.774  1663.73  179.178  1677.13  253.659  1650.38  253.134  303.478   23.648  300.992   23.794 2.485535 33.54735 
1 1 1  -17    1   36 o  202.783   15.947  749.765  114.294  746.253  161.930  753.252  161.344  202.283   22.649  203.282   22.456 -0.9998169 31.89427 
1 1 1  -17    1   38 o  481.374   19.670  4321.78  334.616  4250.66  473.552  4392.69  472.884  477.181   28.078  485.566   27.554 -8.385101 39.33951 
1 1 1  -17    1   40 o  356.372   17.750  2367.29  223.559  2407.12  316.717  2327.75  315.605  359.488   24.927  353.256   25.278 6.232117 35.50074 
1 1 1  -17    1   42 o  318.464   17.400  1912.16  195.820  1952.91  277.294  1871.61  276.569  322.048   24.361  314.881   24.851 7.167023 34.79980 
1 1 1  -17    1   44 o  190.036   16.598  692.486  111.300  654.724  158.207  729.489  156.609  184.390   24.276  195.682   22.644 -11.29240 33.19697 
1 1 1  -17    1   46 o   65.611   15.719   81.405   43.765   95.734   61.764   66.955   62.022   69.721   22.231   61.501   22.230 8.219772 31.43900 
1 1 1  -17    2    1 o  214.252   11.049  813.278   83.666  807.380  118.415  819.157  118.228  213.474   15.694  215.030   15.556 -1.556076 22.09750 
1 1 1  -17    2    3 o  849.568   18.300 12840.79  549.452 13057.82  777.104 12623.83  776.981  856.794   25.662  842.341   26.098 14.45215 36.60060 
1 1 1  -17    2    5 o  353.809   12.050  2219.77  150.555  2330.90  213.028  2108.88  212.805  362.685   16.618  344.932   17.455 17.75272 24.10097 
1 1 1  -17    2    7 o  784.348   17.367 10940.30  481.181 11361.89  680.547 10518.85  680.439  799.553   24.082  769.143   25.030 30.40973 34.73388 
1 1 1  -17    2    9 o  454.850   18.544  3681.25  298.116  3680.31  421.993  3682.19  421.208  454.789   26.253  454.911   26.197 -0.1222534 37.08756 
1 1 1  -17    2   11 o  170.242   15.637  515.707   93.902  482.331  133.558  548.332  132.048  164.753   22.936  175.732   21.260 -10.97882 31.27376 
1 1 1  -17    2   13 o  891.158   26.934 14270.41  848.260 14518.02  1199.52 14022.72  1199.72  899.021   37.750  883.294   38.429 15.72748 53.86858 
1 1 1  -17    2   15 o  244.221   22.464  1060.96  193.901   0.0000   0.0000  1060.96  193.901  ?   ?   244.221   22.464      ?      ? 
1 1 1  -17    2   17 o  573.802   29.109  5894.60  590.349   0.0000   0.0000  5894.60  590.349  ?   ?   573.802   29.109      ?      ? 
1 1 1  -17    2   19 o  137.795   21.504  338.499  104.733   0.0000   0.0000  338.499  104.733  ?   ?   137.795   21.504      ?      ? 
1 1 1  -17    2   23 o  157.897   21.622  446.653  120.670   0.0000   0.0000  446.653  120.670  ?   ?   157.897   21.622      ?      ? 
1 1 1  -17    2   25 o  409.399   25.499  3028.26  368.974   0.0000   0.0000  3028.26  368.974  ?   ?   409.399   25.499      ?      ? 
1 1 1  -17    2   27 o  334.031   24.075  2017.00  284.228   0.0000   0.0000  2017.00  284.228  ?   ?   334.031   24.075      ?      ? 
1 1 1  -17    2   29 o  489.541   27.493  4377.88  475.690   0.0000   0.0000  4377.88  475.690  ?   ?   489.541   27.493      ?      ? 
1 1 1  -17    2   31 o  777.717   36.041 11368.35  990.695   0.0000   0.0000 11368.35  990.695  ?   ?   777.717   36.041      ?      ? 
1 1 1  -17    2   33 o  156.672   21.964  444.828  121.627   0.0000   0.0000  444.828  121.627  ?   ?   156.672   21.964      ?      ? 
1 1 1  -17    2   35 o  634.851   31.788  7543.92  713.276   0.0000   0.0000  7543.92  713.276  ?   ?   634.851   31.788      ?      ? 
1 1 1  -17    2   37 o   82.748   16.324  129.369   49.757  114.725   71.906  142.823   68.924   78.659   23.817   86.837   22.331 -8.177856 32.64870 
1 1 1  -17    2   39 o  366.769   25.200  2496.92  326.677   0.0000   0.0000  2496.92  326.677  ?   ?   366.769   25.200      ?      ? 
1 1 1  -17    2   41 o  278.023   16.804  1442.06  165.052  1493.51  234.038  1391.16  232.805  283.190   23.382  272.856   24.140 10.33426 33.60764 
1 1 1  -17    2   43 o  158.441   17.146  485.481   92.687  412.522  131.757  556.957  130.411  144.425   26.798  172.456   21.395 -28.03143 34.29116 
1 1 1  -17    2   45 f   44.314   18.268   15.220   46.256   15.220   46.256   0.0000   0.0000   44.314   18.268  ?   ?       ?      ? 
1 1 1  -17    2   47 o  256.306   24.915  1348.87  225.701   0.0000   0.0000  1348.87  225.701  ?   ?   256.306   24.915      ?      ? 
1 1 1  -17    3    2 o  962.261   24.480 16569.44  784.463 16566.17  1358.49 16571.08  960.854  960.181   40.030  964.342   28.191 -4.160645 48.96011 
1 1 1  -17    3    4 o  400.684   15.090  2803.96  203.054  2997.31  351.431  2707.06  248.785  410.621   24.215  390.747   18.014 19.87469 30.18027 
1 1 1  -17    3    6 o  880.724   26.510 13904.75  824.855 13427.43  1166.28 14382.46  1166.76  865.387   38.131  896.062   36.840 -30.67499 53.02028 
1 1 1  -17    3    8 o  835.335   25.874 12514.47  762.367 13415.32  1078.03 11613.21  1078.27  865.856   35.226  804.815   37.906 61.04059 51.74715 
1 1 1  -17    3   10 o  561.476   20.425  5624.81  404.889  5925.48  572.446  5323.82  572.753  576.636   28.087  546.316   29.662 30.32080 40.85038 
1 1 1  -17    3   12 o  151.924   21.666  410.098  116.338   0.0000   0.0000  410.098  116.338  ?   ?   151.924   21.666      ?      ? 
1 1 1  -17    3   14 o  873.097   37.548 13714.90  1158.69   0.0000   0.0000 13714.90  1158.69  ?   ?   873.097   37.548      ?      ? 
1 1 1  -17    3   16 o  303.167   23.333  1637.39  250.020   0.0000   0.0000  1637.39  250.020  ?   ?   303.167   23.333      ?      ? 
1 1 1  -17    3   18 o  336.110   23.928  2016.96  284.258   0.0000   0.0000  2016.96  284.258  ?   ?   336.110   23.928      ?      ? 
1 1 1  -17    3   20 o  945.175   40.352 16365.75  1348.03   0.0000   0.0000 16365.75  1348.03  ?   ?   945.175   40.352      ?      ? 
1 1 1  -17    3   22 o  125.186   22.665  289.223   96.591   0.0000   0.0000  289.223   96.591  ?   ?   125.186   22.665      ?      ? 
1 1 1  -17    3   24 o  254.732   22.711  1166.16  204.475   0.0000   0.0000  1166.16  204.475  ?   ?   254.732   22.711      ?      ? 
1 1 1  -17    3   26 o  559.047   29.142  5700.04  575.828   0.0000   0.0000  5700.04  575.828  ?   ?   559.047   29.142      ?      ? 
1 1 1  -17    3   28 o  365.508   24.697  2422.72  319.053   0.0000   0.0000  2422.72  319.053  ?   ?   365.508   24.697      ?      ? 
1 1 1  -17    3   30 o  589.950   30.191  6416.71  629.534   0.0000   0.0000  6416.71  629.534  ?   ?   589.950   30.191      ?      ? 
1 1 1  -17    3   32 o  290.829   23.446  1536.97  241.003   0.0000   0.0000  1536.97  241.003  ?   ?   290.829   23.446      ?      ? 
1 1 1  -17    3   34 o  132.395   21.926  318.012  102.600   0.0000   0.0000  318.012  102.600  ?   ?   132.395   21.926      ?      ? 
1 1 1  -17    3   36 o  377.326   25.205  2617.87  336.147   0.0000   0.0000  2617.87  336.147  ?   ?   377.326   25.205      ?      ? 
1 1 1  -17    3   38 o  255.750   23.172  1201.48  209.458   0.0000   0.0000  1201.48  209.458  ?   ?   255.750   23.172      ?      ? 
1 1 1  -17    3   40 o  513.828   28.950  5016.96  525.756   0.0000   0.0000  5016.96  525.756  ?   ?   513.828   28.950      ?      ? 
1 1 1  -17    3   42 o   35.870   10.846   0.9905   23.922  -7.8261   39.560   6.0727   30.035   36.509   16.007   35.231   14.638 1.277988 21.69141 
1 1 1  -17    3   44 o  108.055   24.172  232.927   90.008   0.0000   0.0000  232.927   90.008  ?   ?   108.055   24.172      ?      ? 
1 1 1  -17    3   46 o  154.781   16.629  476.806   90.847  508.093  129.719  446.689  127.270  160.207   22.909  149.355   24.109 10.85155 33.25764 
1 1 1  -17    4    3 o  441.904   25.906  3476.36  404.615  3476.36  404.615   0.0000   0.0000  441.904   25.906  ?   ?       ?      ? 
1 1 1  -17    4    5 o  949.440   28.084 16199.33  942.339 15956.65  1332.38 16442.22  1332.96  942.208   40.009  956.671   39.422 -14.46283 56.16760 
1 1 1  -17    4    7 o  471.196   18.482  3964.22  306.319  3513.91  432.780  4416.28  433.624  444.108   27.571  498.284   24.622 -54.17639 36.96487 
1 1 1  -17    4    9 o  309.897   23.451  1707.52  256.862   0.0000   0.0000  1707.52  256.862  ?   ?   309.897   23.451      ?      ? 
1 1 1  -17    4   11 o  641.624   30.821  7357.19  698.958   0.0000   0.0000  7357.19  698.958  ?   ?   641.624   30.821      ?      ? 
1 1 1  -17    4   13 o  1171.51   47.297 24956.88  1958.40   0.0000   0.0000 24956.88  1958.40  ?   ?   1171.51   47.297      ?      ? 
1 1 1  -17    4   15 o  751.350   33.975 10146.63  902.236   0.0000   0.0000 10146.63  902.236  ?   ?   751.350   33.975      ?      ? 
1 1 1  -17    4   17 o  329.984   16.839  1933.92  196.394   0.0000   0.0000  1933.92  196.394  ?   ?   329.984   16.839      ?      ? 
1 1 1  -17    4   19 o  134.333   15.172  320.498   72.038   0.0000   0.0000  320.498   72.038  ?   ?   134.333   15.172      ?      ? 
1 1 1  -17    4   21 o  251.512   22.609  1133.17  200.982   0.0000   0.0000  1133.17  200.982  ?   ?   251.512   22.609      ?      ? 
1 1 1  -17    4   23 o  211.760   15.587  798.582  116.660   0.0000   0.0000  798.582  116.660  ?   ?   211.760   15.587      ?      ? 
1 1 1  -17    4   25 o  371.213   24.726  2489.36  324.415   0.0000   0.0000  2489.36  324.415  ?   ?   371.213   24.726      ?      ? 
1 1 1  -17    4   29 o  446.992   26.481  3645.12  418.364   0.0000   0.0000  3645.12  418.364  ?   ?   446.992   26.481      ?      ? 
1 1 1  -17    4   31 o  409.371   25.682  3059.69  371.589   0.0000   0.0000  3059.69  371.589  ?   ?   409.371   25.682      ?      ? 
1 1 1  -17    4   33 o  391.324   25.343  2799.91  350.524   0.0000   0.0000  2799.91  350.524  ?   ?   391.324   25.343      ?      ? 
1 1 1  -17    4   35 o  357.951   24.758  2349.35  313.231   0.0000   0.0000  2349.35  313.231  ?   ?   357.951   24.758      ?      ? 
1 1 1  -17    4   37 o  404.817   25.859  3030.66  369.987   0.0000   0.0000  3030.66  369.987  ?   ?   404.817   25.859      ?      ? 
1 1 1  -17    4   39 o  291.586   23.752  1573.27  244.786   0.0000   0.0000  1573.27  244.786  ?   ?   291.586   23.752      ?      ? 
1 1 1  -17    4   41 o  205.575   22.939  787.740  166.673   0.0000   0.0000  787.740  166.673  ?   ?   205.575   22.939      ?      ? 
1 1 1  -17    4   43 o  219.705   23.352  918.198  181.336   0.0000   0.0000  918.198  181.336  ?   ?   219.705   23.352      ?      ? 
1 1 1  -17    4   45 o  230.688   24.101  1050.41  196.506   0.0000   0.0000  1050.41  196.506  ?   ?   230.688   24.101      ?      ? 
1 1 1  -17    5    2 o  778.796   34.676 10877.27  954.484 10877.27  954.484   0.0000   0.0000  778.796   34.676  ?   ?       ?      ? 
1 1 1  -17    5    4 o  912.929   38.723 14989.55  1249.47 14989.55  1249.47   0.0000   0.0000  912.929   38.723  ?   ?       ?      ? 
1 1 1  -17    5   14 o  640.666   30.852  7358.79  698.618   0.0000   0.0000  7358.79  698.618  ?   ?   640.666   30.852      ?      ? 
1 1 1  -17    5   16 o  616.700   30.263  6830.40  659.636   0.0000   0.0000  6830.40  659.636  ?   ?   616.700   30.263      ?      ? 
1 1 1  -17    5   18 o  265.517   22.764  1259.84  213.627   0.0000   0.0000  1259.84  213.627  ?   ?   265.517   22.764      ?      ? 
1 1 1  -17    5   20 o  444.158   26.141  3548.79  410.369   0.0000   0.0000  3548.79  410.369  ?   ?   444.158   26.141      ?      ? 
1 1 1  -17    5   22 o  477.331   26.971  4117.61  455.031   0.0000   0.0000  4117.61  455.031  ?   ?   477.331   26.971      ?      ? 
1 1 1  -17    5   26 o  458.364   26.654  3819.54  431.813   0.0000   0.0000  3819.54  431.813  ?   ?   458.364   26.654      ?      ? 
1 1 1  -17    5   28 o  841.835   38.045 13341.58  1131.98   0.0000   0.0000 13341.58  1131.98  ?   ?   841.835   38.045      ?      ? 
1 1 1  -17    5   30 o  305.861   23.638  1698.68  255.537   0.0000   0.0000  1698.68  255.537  ?   ?   305.861   23.638      ?      ? 
1 1 1  -17    5   32 o  181.005   22.015  593.815  140.844   0.0000   0.0000  593.815  140.844  ?   ?   181.005   22.015      ?      ? 
1 1 1  -17    5   34 o  366.558   24.879  2460.31  322.323   0.0000   0.0000  2460.31  322.323  ?   ?   366.558   24.879      ?      ? 
1 1 1  -17    5   36 o  449.652   26.852  3744.82  426.753   0.0000   0.0000  3744.82  426.753  ?   ?   449.652   26.852      ?      ? 
1 1 1  -17    5   38 o  529.927   29.142  5291.20  545.836   0.0000   0.0000  5291.20  545.836  ?   ?   529.927   29.142      ?      ? 
1 1 1  -17    5   40 o  230.358   22.964  985.326  186.973   0.0000   0.0000  985.326  186.973  ?   ?   230.358   22.964      ?      ? 
1 1 1  -17    5   42 o  389.287   26.246  2909.51  361.116   0.0000   0.0000  2909.51  361.116  ?   ?   389.287   26.246      ?      ? 
1 1 1  -17    5   44 o   47.082   18.227   29.195   43.209   0.0000   0.0000   29.195   43.209  ?   ?    47.082   18.227      ?      ? 
1 1 1  -17    5   46 o   87.495   24.219  160.398   77.443   0.0000   0.0000  160.398   77.443  ?   ?    87.495   24.219      ?      ? 
1 1 1  -17    6    1 o  117.779   24.532  256.315   98.808  256.315   98.808   0.0000   0.0000  117.779   24.532  ?   ?       ?      ? 
1 1 1  -17    6    9 o  559.872   28.706  5601.17  568.035   0.0000   0.0000  5601.17  568.035  ?   ?   559.872   28.706      ?      ? 
1 1 1  -17    6   11 o  488.961   27.004  4269.71  466.684   0.0000   0.0000  4269.71  466.684  ?   ?   488.961   27.004      ?      ? 
1 1 1  -17    6   13 o  662.733   31.474  7885.60  737.234   0.0000   0.0000  7885.60  737.234  ?   ?   662.733   31.474      ?      ? 
1 1 1  -17    6   15 o  509.656   27.551  4654.96  496.288   0.0000   0.0000  4654.96  496.288  ?   ?   509.656   27.551      ?      ? 
1 1 1  -17    6   17 o  389.205   24.924  2713.78  342.865   0.0000   0.0000  2713.78  342.865  ?   ?   389.205   24.924      ?      ? 
1 1 1  -17    6   19 o  137.741   21.435  339.352  104.354   0.0000   0.0000  339.352  104.354  ?   ?   137.741   21.435      ?      ? 
1 1 1  -17    6   21 o  422.500   25.726  3219.17  384.160   0.0000   0.0000  3219.17  384.160  ?   ?   422.500   25.726      ?      ? 
1 1 1  -17    6   23 o  477.778   27.035  4137.70  456.540   0.0000   0.0000  4137.70  456.540  ?   ?   477.778   27.035      ?      ? 
1 1 1  -17    6   27 o  366.893   24.707  2443.32  320.396   0.0000   0.0000  2443.32  320.396  ?   ?   366.893   24.707      ?      ? 
1 1 1  -17    6   29 o  210.823   22.253  804.308  165.819   0.0000   0.0000  804.308  165.819  ?   ?   210.823   22.253      ?      ? 
1 1 1  -17    6   31 o  303.518   23.628  1675.43  253.472   0.0000   0.0000  1675.43  253.472  ?   ?   303.518   23.628      ?      ? 
1 1 1  -17    6   33 o  428.395   26.193  3368.20  396.593   0.0000   0.0000  3368.20  396.593  ?   ?   428.395   26.193      ?      ? 
1 1 1  -17    6   35 o  451.207   26.848  3765.16  428.167   0.0000   0.0000  3765.16  428.167  ?   ?   451.207   26.848      ?      ? 
1 1 1  -17    6   37 o  296.094   23.742  1614.14  248.465   0.0000   0.0000  1614.14  248.465  ?   ?   296.094   23.742      ?      ? 
1 1 1  -17    6   39 o  473.950   27.818  4247.31  465.990   0.0000   0.0000  4247.31  465.990  ?   ?   473.950   27.818      ?      ? 
1 1 1  -17    6   41 o  178.015   22.729  593.302  143.009   0.0000   0.0000  593.302  143.009  ?   ?   178.015   22.729      ?      ? 
1 1 1  -17    6   43 o  232.082   23.548  1035.70  193.162   0.0000   0.0000  1035.70  193.162  ?   ?   232.082   23.548      ?      ? 
1 1 1  -17    6   45 o  158.976   23.403  501.774  131.497   0.0000   0.0000  501.774  131.497  ?   ?   158.976   23.403      ?      ? 
1 1 1  -17    7    2 o  126.416   24.541  294.655  105.699  294.655  105.699   0.0000   0.0000  126.416   24.541  ?   ?       ?      ? 
1 1 1  -17    7    4 o  388.755   25.079  2696.20  344.588  2696.20  344.588   0.0000   0.0000  388.755   25.079  ?   ?       ?      ? 
1 1 1  -17    7    6 o  430.977   17.692  3316.84  268.821  3602.42  381.694  3035.76  378.665  449.561   24.022  412.393   25.979 37.16855 35.38306 
1 1 1  -17    7    8 o  324.195   16.449  1872.47  188.285  1988.21  268.640  1760.71  263.973  334.099   22.750  314.292   23.763 19.80698 32.89743 
1 1 1  -17    7   10 o  859.551   37.265 13348.38  1132.12   0.0000   0.0000 13348.38  1132.12  ?   ?   859.551   37.265      ?      ? 
1 1 1  -17    7   12 f  380.306   24.698  2583.41  331.987   0.0000   0.0000  2583.41  331.987  ?   ?   380.306   24.698      ?      ? 
1 1 1  -17    7   14 f  496.806   27.264  4426.63  478.739   0.0000   0.0000  4426.63  478.739  ?   ?   496.806   27.264      ?      ? 
1 1 1  -17    7   16 o  254.651   22.600  1159.57  203.410   0.0000   0.0000  1159.57  203.410  ?   ?   254.651   22.600      ?      ? 
1 1 1  -17    7   18 o  519.010   27.911  4860.92  511.998   0.0000   0.0000  4860.92  511.998  ?   ?   519.010   27.911      ?      ? 
1 1 1  -17    7   20 o   81.768   21.503  124.190   62.972   0.0000   0.0000  124.190   62.972  ?   ?    81.768   21.503      ?      ? 
1 1 1  -17    7   22 o   90.536   22.011  153.104   69.751   0.0000   0.0000  153.104   69.751  ?   ?    90.536   22.011      ?      ? 
1 1 1  -17    7   24 o  256.670   22.746  1188.08  206.348   0.0000   0.0000  1188.08  206.348  ?   ?   256.670   22.746      ?      ? 
1 1 1  -17    7   28 o  220.321   22.312  878.321  173.745   0.0000   0.0000  878.321  173.745  ?   ?   220.321   22.312      ?      ? 
1 1 1  -17    7   30 o  594.423   30.394  6541.65  638.567   0.0000   0.0000  6541.65  638.567  ?   ?   594.423   30.394      ?      ? 
1 1 1  -17    7   32 o  225.037   22.488  919.948  178.867   0.0000   0.0000  919.948  178.867  ?   ?   225.037   22.488      ?      ? 
1 1 1  -17    7   34 o  242.387   22.756  1072.16  194.950   0.0000   0.0000  1072.16  194.950  ?   ?   242.387   22.756      ?      ? 
1 1 1  -17    7   36 o  409.335   25.949  3103.95  375.424   0.0000   0.0000  3103.95  375.424  ?   ?   409.335   25.949      ?      ? 
1 1 1  -17    7   38 o  472.053   27.701  4198.41  462.179   0.0000   0.0000  4198.41  462.179  ?   ?   472.053   27.701      ?      ? 
1 1 1  -17    7   40 o  320.032   24.449  1926.38  276.556   0.0000   0.0000  1926.38  276.556  ?   ?   320.032   24.449      ?      ? 
1 1 1  -17    7   42 o  104.638   23.981  216.694   86.794   0.0000   0.0000  216.694   86.794  ?   ?   104.638   23.981      ?      ? 
1 1 1  -17    7   44 f  125.177   24.494  318.320  104.490   0.0000   0.0000  318.320  104.490  ?   ?   125.177   24.494      ?      ? 
1 1 1  -17    8    1 o  298.133   14.463  1625.69  141.159  1467.48  245.692  1703.64  172.465  286.527   24.261  309.740   15.754 -23.21323 28.92692 
1 1 1  -17    8    3 o  344.362   15.928  2189.89  178.705  1911.86  310.575  2327.51  218.500  326.773   26.891  361.953   17.080 -35.17999 31.85629 
1 1 1  -17    8    5 o  307.357   14.362  1679.53  146.550  1687.77  255.824  1675.50  178.794  307.536   23.536  307.177   16.468 0.3594666 28.72496 
1 1 1  -17    8    7 o  527.958   16.520  4895.10  292.261  5219.73  507.661  4734.17  357.436  540.095   26.594  515.822   19.606 24.27252 33.03963 
1 1 1  -17    8    9 o  379.498   16.892  2574.92  225.880  2826.87  321.363  2328.90  317.556  398.038   22.843  360.959   24.891 37.07858 33.78405 
1 1 1  -17    8   11 o  394.790   18.493  2799.01  257.216  2562.27  365.558  3031.14  361.985  377.963   27.364  411.618   24.881 -33.65512 36.98517 
1 1 1  -17    8   13 o  399.583   18.262  2866.49  257.582  2718.46  365.969  3011.82  362.607  389.170   26.606  409.996   25.023 -20.82629 36.52448 
1 1 1  -17    8   15 o   71.693   15.806   91.756   43.831   82.770   71.134   97.256   55.651   70.521   23.927   72.866   20.659 -2.344635 31.61175 
1 1 1  -17    8   17 o  251.496   16.683  1138.91  147.774  1043.32  210.716  1231.42  207.294  240.883   24.750  262.108   22.376 -21.22571 33.36529 
1 1 1  -17    8   19 o  532.258   28.323  5135.52  532.816   0.0000   0.0000  5135.52  532.816  ?   ?   532.258   28.323      ?      ? 
1 1 1  -17    8   21 f  188.925   21.865  641.538  146.002   0.0000   0.0000  641.538  146.002  ?   ?   188.925   21.865      ?      ? 
1 1 1  -17    8   23 o  668.503   32.256  8225.28  762.139   0.0000   0.0000  8225.28  762.139  ?   ?   668.503   32.256      ?      ? 
1 1 1  -17    8   25 o  611.247   30.692  6876.63  663.072   0.0000   0.0000  6876.63  663.072  ?   ?   611.247   30.692      ?      ? 
1 1 1  -17    8   27 o   61.231   19.442   66.415   47.274   0.0000   0.0000   66.415   47.274  ?   ?    61.231   19.442      ?      ? 
1 1 1  -17    8   29 o  142.724   21.605  368.609  108.985   0.0000   0.0000  368.609  108.985  ?   ?   142.724   21.605      ?      ? 
1 1 1  -17    8   31 o  664.987   32.575  8268.41  765.631   0.0000   0.0000  8268.41  765.631  ?   ?   664.987   32.575      ?      ? 
1 1 1  -17    8   33 o  490.107   27.764  4448.17  480.935   0.0000   0.0000  4448.17  480.935  ?   ?   490.107   27.764      ?      ? 
1 1 1  -17    8   35 o  153.614   21.950  431.083  119.177   0.0000   0.0000  431.083  119.177  ?   ?   153.614   21.950      ?      ? 
1 1 1  -17    8   37 o  304.750   23.955  1719.69  258.020   0.0000   0.0000  1719.69  258.020  ?   ?   304.750   23.955      ?      ? 
1 1 1  -17    8   39 f  245.717   23.156  1125.51  201.102   0.0000   0.0000  1125.51  201.102  ?   ?   245.717   23.156      ?      ? 
1 1 1  -17    8   43 o  169.802   23.150  561.455  138.939   0.0000   0.0000  561.455  138.939  ?   ?   169.802   23.150      ?      ? 
1 1 1  -17    8   45 o  362.532   17.144  2500.11  219.669   0.0000   0.0000  2500.11  219.669  ?   ?   362.532   17.144      ?      ? 
1 1 1  -17    9    2 o  147.156   13.450  384.929   65.342  388.337  115.386  383.320   79.279  147.422   22.145  146.890   15.270 0.5317688 26.89930 
1 1 1  -17    9    4 o  217.199   12.315  811.274   89.557  925.546  158.014  757.195  108.702  227.900   19.617  206.497   14.894 21.40283 24.63026 
1 1 1  -17    9    6 o  436.465   16.974  3519.61  241.844  3102.06  419.814  3727.01  295.871  415.335   28.598  457.594   18.294 -42.25815 33.94869 
1 1 1  -17    9    8 f  151.969   12.460  394.116   63.327  462.511  112.563  362.444   76.599  161.088   19.770  142.851   15.171 18.23723 24.92048 
1 1 1  -17    9   10 o  720.566   21.181  9531.22  502.638  8884.83  871.618  9853.28  615.242  699.117   35.274  742.016   23.459 -42.89832 42.36267 
1 1 1  -17    9   12 o  494.373   18.586  4605.63  296.805  3827.51  514.940  4992.75  363.209  459.690   31.694  529.055   19.424 -69.36459 37.17211 
1 1 1  -17    9   14 f  471.876   17.055  4038.55  265.954  3878.39  462.318  4117.76  325.140  463.447   28.224  480.305   19.153 -16.85864 34.10912 
1 1 1  -17    9   16 o  330.030   15.790  2011.40  170.053  1796.53  296.408  2116.83  207.622  315.478   26.583  344.582   17.047 -29.10385 31.57941 
1 1 1  -17    9   18 f  275.371   22.968  1363.66  223.543   0.0000   0.0000  1363.66  223.543  ?   ?   275.371   22.968      ?      ? 
1 1 1  -17    9   20 o  176.191   17.036  567.625  104.541  473.885  151.204  653.472  144.698  161.691   26.458  190.690   21.469 -28.99890 34.07264 
1 1 1  -17    9   22 o  158.115   14.313  457.289   72.348  699.089  108.204  261.790   97.295  197.935   15.467  118.294   24.089 79.64056 28.62691 
1 1 1  -17    9   24 o  276.123   16.649  1381.10  162.384  1363.34  232.853  1397.90  226.567  274.259   24.022  277.986   23.060 -3.727081 33.29841 
1 1 1  -17    9   26 f  197.040   23.189  703.823  161.492  703.823  161.492   0.0000   0.0000  197.040   23.189  ?   ?       ?      ? 
1 1 1  -17    9   28 o  422.398   18.348  3261.62  273.913  3310.02  389.712  3214.38  385.072  425.513   25.913  419.282   25.985 6.231537 36.69683 
1 1 1  -17    9   30 o  582.653   30.121  6296.23  620.289   0.0000   0.0000  6296.23  620.289  ?   ?   582.653   30.121      ?      ? 
1 1 1  -17    9   32 o  513.340   28.355  4887.71  514.471   0.0000   0.0000  4887.71  514.471  ?   ?   513.340   28.355      ?      ? 
1 1 1  -17    9   36 o   57.134   19.066   56.547   45.162   0.0000   0.0000   56.547   45.162  ?   ?    57.134   19.066      ?      ? 
1 1 1  -17    9   38 o  251.377   23.174  1175.92  205.895   0.0000   0.0000  1175.92  205.895  ?   ?   251.377   23.174      ?      ? 
1 1 1  -17    9   40 o   59.824   19.734   64.331   48.433   0.0000   0.0000   64.331   48.433  ?   ?    59.824   19.734      ?      ? 
1 1 1  -17    9   42 o  290.079   15.229  1548.33  156.138   0.0000   0.0000  1548.33  156.138  ?   ?   290.079   15.229      ?      ? 
1 1 1  -17    9   44 o  237.966   15.557  1060.04  130.846   0.0000   0.0000  1060.04  130.846  ?   ?   237.966   15.557      ?      ? 
1 1 1  -17   10    1 o  181.606   16.349  645.866   90.576  483.954  158.234  724.775  110.465  161.367   28.800  201.844   15.484 -40.47705 32.69876 
1 1 1  -17   10    3 o   63.226   14.025   68.923   32.163   69.692   62.656   68.648   37.477   65.297   22.451   61.155   16.815 4.141655 28.04973 
1 1 1  -17   10    5 o  118.472   10.964  235.387   43.216  291.842   78.330  210.682   51.817  128.012   17.312  108.932   13.458 19.08087 21.92823 
1 1 1  -17   10    7 o  618.955   19.715  7063.18  400.690  6461.65  694.894  7362.81  490.434  596.324   32.970  641.586   21.627 -45.26239 39.43038 
1 1 1  -17   10    9 o  391.189   17.489  2922.41  218.704  2302.19  379.683  3230.39  267.549  356.629   30.122  425.749   17.780 -69.11923 34.97801 
1 1 1  -17   10   11 o  190.002   18.212  737.965  101.964  482.527  179.029  860.603  124.049  160.117   32.739  219.888   15.961 -59.77112 36.42304 
1 1 1  -17   10   13 o  499.202   17.494  4534.73  288.617  4340.31  501.018  4631.30  353.089  489.428   28.963  508.976   19.628 -19.54779 34.98716 
1 1 1  -17   10   15 o   84.064   14.518  150.674   50.792 -17.0758   92.891  222.221   60.665   56.419   24.638  111.709   15.365 -55.29025 29.03626 
1 1 1  -17   10   17 o  383.375   17.601  2625.61  238.501   0.0000   0.0000  2625.61  238.501  ?   ?   383.375   17.601      ?      ? 
1 1 1  -17   10   19 o  252.378   15.689  1194.58  127.816  1021.28  223.955  1278.29  155.656  237.187   26.715  267.569   16.459 -30.38199 31.37801 
1 1 1  -17   10   21 o  442.326   16.425  3546.22  240.799  3502.83  419.080  3567.61  294.216  438.573   27.036  446.079   18.661 -7.506104 32.85046 
1 1 1  -17   10   23 o  468.463   16.228  3936.91  253.442  4072.95  441.180  3869.90  309.630  472.689   26.407  464.237   18.871 8.451660 32.45659 
1 1 1  -17   10   25 o  658.144   20.576  8104.05  445.130  7568.22  772.698  8370.19  544.570  636.480   34.348  679.808   22.665 -43.32770 41.15200 
1 1 1  -17   10   27 o  201.764   16.320  740.233  116.160  716.589  167.754  762.012  161.003  198.466   23.915  205.062   22.214 -6.596283 32.64024 
1 1 1  -17   10   29 o  136.152   15.286  332.553   70.666  434.247  108.677  258.061   93.014  155.099   19.825  117.205   23.274 37.89360 30.57294 
1 1 1  -17   10   31 o  186.639   14.392  617.414   91.566  883.923  140.370  420.009  120.808  221.465   17.933  151.814   22.515 69.65114 28.78365 
1 1 1  -17   10   33 o  181.623   14.801  591.276   93.013  782.398  140.423  441.872  124.155  207.821   19.117  155.425   22.601 52.39586 29.60182 
1 1 1  -17   10   35 o  333.078   16.990  2046.24  199.592  2239.13  289.210  1870.82  275.800  348.356   23.489  317.799   24.554 30.55759 33.98003 
1 1 1  -17   10   37 o  218.747   17.206  897.091  132.215  858.409  195.147  929.913  179.759  213.613   25.847  223.880   22.717 -10.26776 34.41152 
1 1 1  -17   10   39 o  241.839   15.266  1063.19  130.490   0.0000   0.0000  1063.19  130.490  ?   ?   241.839   15.266      ?      ? 
1 1 1  -17   10   41 o  218.410   23.031  918.515  177.786   0.0000   0.0000  918.515  177.786  ?   ?   218.410   23.031      ?      ? 
1 1 1  -17   11    2 o  235.392   15.884  986.965  132.151   0.0000   0.0000  986.965  132.151  ?   ?   235.392   15.884      ?      ? 
1 1 1  -17   11    4 o  438.421   17.146  3562.26  245.568  3168.42  426.472  3757.61  300.359  418.129   28.858  458.714   18.526 -40.58484 34.29245 
1 1 1  -17   11    6 o  172.578   14.781  569.306   80.965  444.631  141.979  629.387   98.561  157.065   25.576  188.091   14.826 -31.02582 29.56202 
1 1 1  -17   11    8 o  657.580   20.050  7922.94  435.590  7557.98  755.341  8104.78  533.178  643.136   33.229  672.024   22.447 -28.88763 40.10072 
1 1 1  -17   11   10 f  236.033   22.792  1000.76  190.145   0.0000   0.0000  1000.76  190.145  ?   ?   236.033   22.792      ?      ? 
1 1 1  -17   11   12 o  525.701   18.208  5074.54  315.224  4749.37  547.197  5236.05  385.643  510.707   30.315  540.694   20.180 -29.98764 36.41694 
1 1 1  -17   11   14 o  229.042   13.694  933.854  104.227  955.065  182.280  923.550  127.044  230.467   22.377  227.616   15.792 2.851059 27.38846 
1 1 1  -17   11   16 o  110.474   13.365  217.112   52.183   0.0000   0.0000  217.112   52.183  ?   ?   110.474   13.365      ?      ? 
1 1 1  -17   11   18 o  186.143   15.697  664.849   92.476  525.724  163.369  730.446  112.178  169.977   27.193  202.310   15.688 -32.33308 31.39417 
1 1 1  -17   11   20 o  215.331   13.179  813.216   94.313  886.100  167.289  779.258  114.190  221.751   21.344  208.912   15.465 12.83838 26.35789 
1 1 1  -17   11   22 o  343.746   16.085  2188.26  180.786  1998.10  315.593  2281.15  220.562  330.727   26.998  356.766   17.491 -26.03851 32.16933 
1 1 1  -17   11   24 o  607.596   18.369  6651.74  373.049  7017.61  648.468  6470.77  456.074  616.886   29.742  598.305   21.567 18.58112 36.73823 
1 1 1  -17   11   26 o  221.128   13.958  862.652  102.344  936.903  182.141  828.393  123.722  227.227   22.679  215.028   16.279 12.19868 27.91692 
1 1 1  -17   11   28 o  225.566   13.973  903.535  103.969  960.594  185.952  877.585  125.401  229.850   22.890  221.282   16.034 8.568665 27.94658 
1 1 1  -17   11   30 o  145.423   14.182  366.727   65.791  421.686  126.936  346.540   76.931  151.865   23.649  138.982   15.661 12.88255 28.36438 
1 1 1  -17   11   32 o   61.040   14.727   65.059   33.929   27.182   81.238   73.062   37.342   59.480   24.327   62.601   16.605 -3.121319 29.45395 
1 1 1  -17   11   34 o  219.154   17.517  967.575  116.695  719.185  213.559  1073.31  139.337  194.389   31.083  243.919   16.162 -49.53006 35.03403 
1 1 1  -17   11   36 o  116.860   16.140  227.762   54.888  318.417  121.815  204.667   61.483  127.456   27.822  106.263   16.370 21.19214 32.28048 
1 1 1  -17   11   38 o  255.956   17.355  1242.34  156.319  1234.90  231.373  1248.58  212.029  254.391   25.733  257.520   23.295 -3.128799 34.71092 
1 1 1  -17   11   40 f  337.350   26.810  2247.11  319.671  2247.11  319.671   0.0000   0.0000  337.350   26.810  ?   ?       ?      ? 
1 1 1  -17   12    1 o  214.410   16.284  880.590  111.303  693.969  194.063  972.072  135.872  195.419   28.097  233.401   16.471 -37.98219 32.56844 
1 1 1  -17   12    3 o  211.010   14.640  835.947   99.657  700.805  173.854  902.085  121.623  197.005   24.968  225.016   15.293 -28.01070 29.27934 
1 1 1  -17   12    5 o  223.276   15.610  940.604  112.131  779.253  195.745  1019.41  136.801  207.454   26.696  239.098   16.188 -31.64426 31.22080 
1 1 1  -17   12    7 o  223.631   15.741  936.386  113.905  799.411  198.727  1003.40  139.004  210.103   26.761  237.159   16.583 -27.05568 31.48264 
1 1 1  -17   12    9 o  335.404   15.371  2039.52  170.405  1967.09  296.449  2075.27  208.248  329.909   25.424  340.899   17.284 -10.99066 30.74219 
1 1 1  -17   12   11 o  159.489   14.232  453.731   74.807  462.730  132.795  449.548   90.540  160.230   23.449  158.748   16.137 1.482224 28.46451 
1 1 1  -17   12   13 o   93.064   15.954  179.314   53.842   74.579   95.827  227.634   65.088   73.199   27.425  112.929   16.307 -39.72928 31.90733 
1 1 1  -17   12   15 o  452.285   17.916  3832.03  263.931  3362.44  458.283  4065.07  322.848  428.441   30.264  476.129   19.185 -47.68802 35.83213 
1 1 1  -17   12   17 o  291.033   23.764  1532.61  244.448  1532.61  244.448   0.0000   0.0000  291.033   23.764  ?   ?       ?      ? 
1 1 1  -17   12   19 o  229.989   22.714  956.426  184.640   0.0000   0.0000  956.426  184.640  ?   ?   229.989   22.714      ?      ? 
1 1 1  -17   12   21 o  502.310   28.038  4625.68  497.781  4625.68  497.781   0.0000   0.0000  502.310   28.038  ?   ?       ?      ? 
1 1 1  -17   12   23 o  221.718   16.573  895.547  129.412  827.046  185.372  960.672  180.747  213.115   24.610  230.320   22.203 -17.20525 33.14569 
1 1 1  -17   12   25 o  164.889   16.097  492.821   93.694  509.128  136.644  478.351  128.719  167.395   23.096  162.383   22.428 5.011612 32.19312 
1 1 1  -17   12   27 o  299.139   23.735  1631.23  250.950   0.0000   0.0000  1631.23  250.950  ?   ?   299.139   23.735      ?      ? 
1 1 1  -17   12   29 o  335.190   24.423  2059.77  289.346   0.0000   0.0000  2059.77  289.346  ?   ?   335.190   24.423      ?      ? 
1 1 1  -17   12   31 o  393.776   18.284  2867.12  254.436  2904.05  363.243  2831.54  356.505  396.210   25.939  391.342   25.774 4.867249 36.56702 
1 1 1  -17   12   33 o  334.411   24.640  2072.82  291.233   0.0000   0.0000  2072.82  291.233  ?   ?   334.411   24.640      ?      ? 
1 1 1  -17   12   37 o  187.765   16.521  642.807  107.883  813.367  170.691  529.352  139.215  207.917   23.227  167.613   23.499 40.30368 33.04143 
1 1 1  -17   12   39 o  208.833   13.725  721.744   91.064  1053.76  183.869  613.836  104.822  235.122   22.126  182.544   16.247 52.57858 27.44991 
1 1 1  -17   12   41 o  321.474   13.376  1829.93  129.945  2259.62  274.855  1706.24  147.467  338.454   22.977  304.495   13.702 33.95822 26.75210 
1 1 1  -17   13    2 o  368.297   16.964  2530.44  203.707  2233.30  353.884  2677.70  249.120  349.871   28.618  386.724   18.226 -36.85361 33.92854 
1 1 1  -17   13    4 o  345.463   15.853  2237.56  177.663  1913.89  308.588  2398.04  217.287  324.557   26.901  366.370   16.780 -41.81305 31.70546 
1 1 1  -17   13    6 o  213.489   14.302  832.012  100.227  779.484  175.233  857.551  122.187  207.744   23.865  219.234   15.769 -11.48972 28.60432 
1 1 1  -17   13    8 o  413.474   16.228  3099.23  222.428  3035.56  386.224  3130.82  272.078  408.796   26.731  418.151   18.409 -9.354919 32.45678 
1 1 1  -17   13   10 o  145.260   15.877  397.990   72.092  355.902  128.382  417.375   87.126  137.628   27.356  152.891   16.123 -15.26291 31.75358 
1 1 1  -17   13   12 o  267.650   16.468  1294.31  155.771  1275.33  220.532  1313.20  220.057  265.642   23.488  269.658   23.089 -4.015656 32.93623 
1 1 1  -17   13   14 f  306.500   16.676  1702.07  180.034  1871.40  255.785  1535.82  253.445  321.955   22.478  291.044   24.638 30.91086 33.35104 
1 1 1  -17   13   18 f  445.887   18.810  3629.97  296.435  3666.95  420.658  3593.48  417.803  448.168   26.556  443.607   26.647 4.561188 37.62069 
1 1 1  -17   13   20 o  342.742   17.409  2137.67  210.873  2142.69  300.118  2132.77  296.357  343.088   24.750  342.397   24.489 0.6904297 34.81715 
1 1 1  -17   13   22 o   85.937   17.552  140.226   57.817   94.519   89.098  173.471   75.988   75.926   26.732   95.948   22.753 -20.02155 35.10414 
1 1 1  -17   13   24 o  224.496   22.805  915.552  180.952   0.0000   0.0000  915.552  180.952  ?   ?   224.496   22.805      ?      ? 
1 1 1  -17   13   26 o  315.451   16.964  1816.21  189.015  1908.00  270.142  1728.18  264.561  323.406   23.633  307.496   24.343 15.90958 33.92780 
1 1 1  -17   13   28 o  393.642   18.019  2851.57  250.474  3012.03  357.211  2696.37  351.311  404.850   24.964  382.434   25.991 22.41638 36.03748 
1 1 1  -17   13   30 o  453.034   19.448  3823.15  311.249  3731.27  442.941  3912.77  437.456  447.216   28.023  458.853   26.974 -11.63785 38.89534 
1 1 1  -17   13   32 o   97.571   24.533  183.144   84.518   0.0000   0.0000  183.144   84.518  ?   ?    97.571   24.533      ?      ? 
1 1 1  -17   13   34 o   72.874   18.177   88.633   54.008   91.059  103.520   87.725   63.306   76.289   28.520   69.460   22.545 6.828773 36.35493 
1 1 1  -17   13   36 o  366.282   17.857  2551.38  230.559  2801.22  331.398  2317.01  320.973  384.533   24.383  348.031   26.093 36.50201 35.71300 
1 1 1  -17   13   38 o  168.788   13.616  504.412   74.607  610.128  140.713  463.071   87.994  178.812   22.265  158.764   15.681 20.04889 27.23268 
1 1 1  -17   13   40 o  156.650   15.075  451.422   77.372  702.740  125.515  297.389   98.263  192.373   18.460  120.928   23.838 71.44523 30.14972 
1 1 1  -17   14    1 o  217.511   13.853  858.555   99.571  826.058  173.167  874.606  121.701  213.737   22.923  221.285   15.561 -7.547745 27.70511 
1 1 1  -17   14    3 o  275.238   14.458  1356.64  132.336  1382.10  230.758  1344.16  161.540  276.332   23.627  274.144   16.672 2.188202 28.91660 
1 1 1  -17   14    5 o  302.478   14.497  1681.30  143.877  1546.83  250.372  1747.59  175.803  292.185   24.244  312.771   15.903 -20.58618 28.99454 
1 1 1  -17   14    7 o  179.514   15.804  582.454   99.881  647.066  142.326  519.756  140.203  189.518   21.248  169.510   23.401 20.00761 31.60852 
1 1 1  -17   14    9 o  305.409   16.873  1689.31  182.119  1717.08  257.663  1661.58  257.448  307.977   23.671  302.842   24.052 5.134979 33.74629 
1 1 1  -17   14   11 o  206.189   15.989  768.810  116.344  820.539  165.156  717.850  163.921  213.217   21.916  199.161   23.287 14.05582 31.97758 
1 1 1  -17   14   13 o  362.543   17.603  2388.89  225.499  2329.25  319.056  2448.41  318.752  357.888   25.223  367.197   24.560 -9.308746 35.20529 
1 1 1  -17   14   17 o   90.363   17.845  154.281   59.176  137.535   90.212  166.928   78.400   86.612   26.764   94.113   23.609 -7.501297 35.68913 
1 1 1  -17   14   19 o  351.456   17.310  2249.95  214.666  2417.35  305.726  2087.17  301.486  364.672   23.720  338.240   25.219 26.43127 34.62088 
1 1 1  -17   14   21 o   88.870   15.887  143.243   60.650   8.9005   90.454  252.972   81.749   59.282   25.066  118.459   19.525 -59.17698 31.77316 
1 1 1  -17   14   23 o  210.402   16.523  807.476  122.610  765.418  175.812  847.301  171.079  204.810   24.287  215.993   22.410 -11.18320 33.04636 
1 1 1  -17   14   25 o  597.381   21.871  6673.56  461.753  6623.80  654.612  6722.83  651.435  594.951   31.130  599.811   30.728 -4.859375 43.74143 
1 1 1  -17   14   27 o  275.177   23.590  1387.33  229.438   0.0000   0.0000  1387.33  229.438  ?   ?   275.177   23.590      ?      ? 
1 1 1  -17   14   29 o  156.477   22.936  449.357  126.852   0.0000   0.0000  449.357  126.852  ?   ?   156.477   22.936      ?      ? 
1 1 1  -17   14   31 o  188.187   16.169  650.119  104.023  888.916  154.536  452.274  140.663  220.642   19.816  155.732   25.555 64.91016 32.33807 
1 1 1  -17   14   33 o  213.780   13.585  795.423   95.790  957.005  175.541  726.907  114.309  227.344   21.846  200.216   16.153 27.12843 27.16946 
1 1 1  -17   14   35 o  277.908   12.469  1326.21  115.726  1705.74  208.799  1157.94  139.034  303.622   19.457  252.193   15.598 51.42924 24.93726 
1 1 1  -17   14   37 o  191.718   11.457  594.454   71.492  913.437  138.335  478.210   83.509  221.747   17.650  161.688   14.613 60.05867 22.91436 
1 1 1  -17   14   39 o   92.234   16.356  162.873   46.406  193.712   99.310  154.258   52.489   95.197   27.788   89.271   17.260 5.925804 32.71177 
1 1 1  -17   15    2 o  113.868   16.987  243.291   66.211  224.233   91.909  263.853   95.466  109.057   24.448  118.678   23.590 -9.620659 33.97381 
1 1 1  -17   15    4 o   86.748   16.738  140.831   52.691  139.349   72.585  142.483   76.610   86.249   23.273   87.246   24.063 -0.9978256 33.47624 
1 1 1  -17   15    6 o   94.825   16.998  169.397   57.023  168.414   81.927  170.321   79.416   94.551   24.364   95.099   23.710 -0.5475693 33.99602 
1 1 1  -17   15    8 o  319.645   16.985  1855.81  191.635  1744.85  270.515  1967.58  271.514  309.803   24.705  329.486   23.315 -19.68311 33.96951 
1 1 1  -17   15   10 o   60.246   14.130   57.955   37.136   24.120   52.496   91.849   52.541   49.963   19.864   70.528   20.101 -20.56540 28.25986 
1 1 1  -17   15   12 o  233.614   16.305  989.470  134.591  1015.79  190.354  963.159  190.327  236.801   22.744  230.428   23.369 6.372940 32.60973 
1 1 1  -17   15   14 o  244.608   23.115  1085.41  199.841   0.0000   0.0000  1085.41  199.841  ?   ?   244.608   23.115      ?      ? 
1 1 1  -17   15   16 o  232.395   16.406  980.698  134.657  1030.05  191.451  932.385  189.433  238.306   22.730  226.484   23.665 11.82227 32.81273 
1 1 1  -17   15   18 o   52.144   14.633   27.824   39.840   3.4835   67.720   40.707   49.268   50.909   21.616   53.379   19.731 -2.470261 29.26689 
1 1 1  -17   15   20 o  241.964   16.542  1065.34  141.440  1096.07  201.120  1035.26  198.951  245.481   23.180  238.448   23.607 7.032913 33.08464 
1 1 1  -17   15   22 o  365.034   17.720  2440.53  228.558  2516.32  324.648  2366.04  321.831  370.800   24.772  359.267   25.345 11.53259 35.43997 
1 1 1  -17   15   24 o  346.049   17.484  2198.41  213.456  2366.45  304.144  2035.30  299.651  359.488   23.937  332.611   25.489 26.87689 34.96712 
1 1 1  -17   15   26 o  336.543   17.464  2086.01  207.448  2220.54  294.767  1953.99  292.003  347.682   23.987  325.404   25.389 22.27725 34.92815 
1 1 1  -17   15   28 o  298.407   12.618  1558.95  125.775  1774.47  222.635  1457.92  152.430  312.068   20.185  284.746   15.146 27.32132 25.23532 
1 1 1  -17   15   30 o  240.215   17.030  1119.62  129.889  949.916  231.925  1197.17  156.783  223.508   29.358  256.921   17.265 -33.41275 34.05902 
1 1 1  -17   15   32 o  202.183   19.694  806.671  132.514  624.243  194.324  965.243  181.173  176.595   32.325  227.771   22.505 -51.17564 39.38714 
1 1 1  -17   15   34 o   64.145   13.717   86.609   36.110 -20.3319   83.010  111.568   40.103   51.242   22.794   77.048   15.266 -25.80585 27.43397 
1 1 1  -17   15   36 o  135.814   14.762  339.195   60.963  387.621  120.132  322.399   70.750  139.117   25.367  132.511   15.106 6.605865 29.52384 
1 1 1  -17   15   38 o  240.473   12.954  1025.25  104.268  1343.10  187.400  882.734  125.485  263.913   20.090  217.032   16.359 46.88120 25.90807 
1 1 1  -17   16    1 o  305.865   17.136  1704.72  184.794  1845.59  262.086  1565.45  260.596  318.796   23.260  292.934   25.170 25.86182 34.27161 
1 1 1  -17   16    3 o   59.970   14.968   48.830   41.646   91.534   61.602   12.882   56.519   71.190   22.136   48.750   20.153 22.43999 29.93584 
1 1 1  -17   16    5 o  287.068   16.748  1497.39  169.918  1501.80  239.380  1492.90  241.230  287.538   23.554  286.598   23.814 0.9395447 33.49526 
1 1 1  -17   16    7 o  241.813   16.349  1061.31  139.700  1076.53  196.623  1045.80  198.522  243.642   22.833  239.984   23.405 3.658066 32.69754 
1 1 1  -17   16    9 o  137.468   17.063  352.470   80.194  406.756  112.210  295.797  114.652  150.022   21.162  124.914   26.773 25.10802 34.12695 
1 1 1  -17   16   11 o  174.563   16.044  552.622   98.980  562.135  140.910  543.357  139.064  176.054   22.645  173.072   22.734 2.982712 32.08780 
1 1 1  -17   16   13 o  275.010   16.700  1376.85  162.021  1471.49  229.235  1282.38  229.030  284.734   22.778  265.285   24.426 19.44891 33.39909 
1 1 1  -17   16   15 o  156.295   22.963  443.810  126.851  443.810  126.851   0.0000   0.0000  156.295   22.963  ?   ?       ?      ? 
1 1 1  -17   16   17 o   98.654   17.374  182.166   63.441  270.129   91.428  100.485   88.102  120.219   22.339   77.089   26.615 43.13058 34.74801 
1 1 1  -17   16   19 o   55.936   21.029   42.746   56.431   0.0000   0.0000   42.746   56.431  ?   ?    55.936   21.029      ?      ? 
1 1 1  -17   16   21 o  125.878   25.609  300.904  110.061   0.0000   0.0000  300.904  110.061  ?   ?   125.878   25.609      ?      ? 
1 1 1  -17   16   23 o  134.314   18.206  342.326   83.253  367.935  119.395  318.091  116.148  139.510   25.138  129.118   26.343 10.39215 36.41301 
1 1 1  -17   16   25 o  324.650   15.979  1896.90  183.347   0.0000   0.0000  1896.90  183.347  ?   ?   324.650   15.979      ?      ? 
1 1 1  -17   16   27 o  155.127   21.810  441.720  119.581   0.0000   0.0000  441.720  119.581  ?   ?   155.127   21.810      ?      ? 
1 1 1  -17   16   29 o  272.431   17.117  1383.46  164.779  1362.86  234.241  1403.63  231.843  270.238   24.524  274.624   23.885 -4.386444 34.23389 
1 1 1  -17   16   31 o   86.902   14.758  147.476   41.665  125.149   81.741  155.313   48.429   81.168   25.542   92.635   14.791 -11.46707 29.51542 
1 1 1  -17   16   33 o  184.950   16.224  626.386  106.057   0.0000   0.0000  626.386  106.057  ?   ?   184.950   16.224      ?      ? 
1 1 1  -17   16   35 o   99.975   12.891  156.284   39.998  274.431   83.459  121.057   45.572  120.514   19.594   79.437   16.759 41.07703 25.78297 
1 1 1  -17   16   37 o   51.933   12.996   37.924   21.491   64.706   62.146   34.286   22.904   60.698   22.204   43.168   13.510 17.52985 25.99123 
1 1 1  -17   17    2 o   95.451   19.347  175.835   68.860  200.673   86.967  134.094  112.739  102.960   24.291   87.942   30.120 15.01783 38.69491 
1 1 1  -17   17    4 o  114.397   19.874  248.822   79.360  238.128  106.040  262.437  119.652  111.766   27.119  117.028   29.060 -5.262245 39.74878 
1 1 1  -17   17    6 o   90.487   19.187  153.946   66.125  168.766   85.494  131.879  104.321   94.478   25.156   86.495   28.977 7.982704 38.37302 
1 1 1  -17   17    8 o  182.782   16.493  606.695  106.088  686.068  153.254  533.666  147.002  194.468   22.297  171.097   24.309 23.37080 32.98576 
1 1 1  -17   17   10 o  225.634   16.305  927.061  129.306  1048.97  184.492  809.355  181.284  240.601   21.695  210.667   24.347 29.93401 32.61045 
1 1 1  -17   17   12 o  356.718   17.656  2325.52  222.537  2394.02  315.383  2257.60  314.051  362.102   24.643  351.333   25.291 10.76846 35.31113 
1 1 1  -17   17   14 o  206.098   23.487  773.844  171.086  773.844  171.086   0.0000   0.0000  206.098   23.487  ?   ?       ?      ? 
1 1 1  -17   17   16 o  179.221   16.453  587.733  102.964  478.932  143.627  702.768  147.684  161.630   25.142  196.811   21.231 -35.18030 32.90662 
1 1 1  -17   17   18 o   72.951   14.432   70.321   51.410 -57.9475   72.933  196.998   72.479   43.414   20.095  102.488   20.721 -59.07319 28.86474 
1 1 1  -17   17   20 o   55.983   12.182   21.434   18.539  122.150   60.682   11.066   19.469   80.503   21.078   31.464   12.220 49.03889 24.36436 
1 1 1  -17   17   22 o  202.790   14.944  738.189  107.112   0.0000   0.0000  738.189  107.112  ?   ?   202.790   14.944      ?      ? 
1 1 1  -17   17   24 o  181.150   16.809  647.902   92.909  521.843  165.273  706.143  112.340  164.362   29.536  197.938   16.058 -33.57555 33.61843 
1 1 1  -17   17   26 o  230.698   15.003  987.593  113.051  948.613  200.161  1005.85  136.993  225.579   25.105  235.816   16.436 -10.23685 30.00688 
1 1 1  -17   17   28 o  434.316   20.956  3935.69  281.358  2807.56  488.988  4494.04  344.008  373.824   37.009  494.808   19.670 -120.9838 41.91193 
1 1 1  -17   17   30 o   40.992   18.297 -18.4387   53.981   0.0000   0.0000 -18.4387   53.981  ?   ?    40.992   18.297      ?      ? 
1 1 1  -17   17   32 o  126.514   17.811  354.147   71.043  218.281  127.020  415.997   85.701  102.478   31.773  150.550   16.106 -48.07229 35.62206 
1 1 1  -17   17   34 o  199.513   11.896  694.321   79.287  893.717  142.924  605.677   95.295  217.734   18.572  181.291   14.872 36.44321 23.79285 
1 1 1  -17   17   36 o  156.542   14.088  474.765   71.542  475.640  128.628  474.373   86.087  153.775   23.666  159.309   15.289 -5.533264 28.17519 
1 1 1  -17   18    5 f  331.731   25.452  2017.73  298.419   0.0000   0.0000  2017.73  298.419  ?   ?   331.731   25.452      ?      ? 
1 1 1  -17   18    7 o   83.258   29.292  116.266  106.959   0.0000   0.0000  116.266  106.959  ?   ?    83.258   29.292      ?      ? 
1 1 1  -17   18    9 f   71.754   18.617   78.655   57.422   83.658   66.983   64.785  111.526   69.448   23.220   74.060   29.108 -4.611450 37.23479 
1 1 1  -17   18   11 f  432.747   19.151  3457.45  292.808  3504.17  410.524  3409.07  417.758  436.024   26.638  429.470   27.521 6.553375 38.30188 
1 1 1  -17   18   15 o  128.389   12.416  280.271   53.681  353.292   94.868  245.879   65.106  139.749   19.207  117.029   15.740 22.71922 24.83241 
1 1 1  -17   18   17 o  434.038   15.509  3333.58  226.517  3775.16  394.238  3115.96  276.762  453.090   24.618  414.987   18.869 38.10260 31.01762 
1 1 1  -17   18   19 o  190.425   13.370  640.016   84.670  707.706  150.333  608.567  102.468  196.889   21.603  183.960   15.760 12.92921 26.74041 
1 1 1  -17   18   21 o  151.795   13.757  421.049   68.826  412.777  120.718  425.032   83.775  149.894   22.786  153.697   15.422 -3.802719 27.51411 
1 1 1  -17   18   23 o   81.442   15.650  134.719   45.178   82.873   86.381  154.241   53.006   71.973   26.201   90.911   17.125 -18.93822 31.30083 
1 1 1  -17   18   25 o  123.970   15.093  287.414   58.890  288.459  107.348  286.964   70.435  121.997   25.707  125.944   15.823 -3.947662 30.18626 
1 1 1  -17   18   27 o  246.227   16.634  1196.87  130.302  973.948  228.299  1304.57  158.688  224.840   28.728  267.615   16.777 -42.77516 33.26832 
1 1 1  -17   18   29 o   89.874   13.718  150.447   39.616  157.385   73.800  147.638   46.955   89.620   23.139   90.128   14.740 -0.5077362 27.43523 
1 1 1  -17   18   31 o  109.103   17.526  265.875   65.495  147.266  117.226  319.702   78.970   86.794   30.652  131.413   17.002 -44.61918 35.05150 
1 1 1  -17   18   33 o  114.587   15.866  287.869   57.934  186.978  100.173  338.573   71.015   93.856   28.043  135.318   14.848 -41.46152 31.73106 
1 1 1  -17   18   35 o  171.013   17.618  650.432   89.381  471.954  156.531  736.780  108.876  144.029   31.616  197.996   15.558 -53.96674 35.23652 
1 1 1  -17   19    2 o  108.227   17.262  224.092   66.503  157.400   96.703  283.934   91.602   91.459   27.604  124.993   20.735 -33.53407 34.52401 
1 1 1  -17   19    4 o  106.428   24.231  215.539   89.105  215.539   89.105   0.0000   0.0000  106.428   24.231  ?   ?       ?      ? 
1 1 1  -17   19   10 o  327.825   24.117  1972.41  279.433   0.0000   0.0000  1972.41  279.433  ?   ?   327.825   24.117      ?      ? 
1 1 1  -17   19   12 o  120.637   22.655  273.946   93.049   0.0000   0.0000  273.946   93.049  ?   ?   120.637   22.655      ?      ? 
1 1 1  -17   19   14 o  121.986   19.137  269.719   82.508   0.0000   0.0000  269.719   82.508  ?   ?   121.986   19.137      ?      ? 
1 1 1  -17   19   16 o  294.429   13.328  1584.57  130.421  1532.70  224.406  1611.03  160.267  289.436   21.936  299.422   15.144 -9.986359 26.65593 
1 1 1  -17   19   18 o  266.025   17.502  1398.43  148.370  1070.86  254.505  1567.08  182.611  237.790   30.282  294.260   17.558 -56.47025 35.00390 
1 1 1  -17   19   20 o  166.819   14.972  509.011   83.624  515.271  143.338  505.781  102.963  166.610   24.341  167.029   17.441 -0.4190216 29.94449 
1 1 1  -17   19   22 o   82.147   16.111  130.323   46.586  115.870   83.630  136.826   56.096   79.334   25.920   84.961   19.140 -5.627174 32.22114 
1 1 1  -17   19   24 o  202.756   16.669  803.588  108.714  672.174  188.801  868.772  132.971  187.174   28.539  218.338   17.231 -31.16437 33.33730 
1 1 1  -17   19   26 o  121.872   16.006  278.847   62.986  296.202  111.865  270.791   76.216  122.275   26.638  121.469   17.752 0.8062820 32.01136 
1 1 1  -17   19   28 o   99.410   15.130  193.039   49.956  178.460   86.061  200.448   61.351   94.428   25.283  104.392   16.628 -9.963890 30.26057 
1 1 1  -17   19   30 o  205.737   15.313  888.143   97.107  613.195  167.458  1027.44  119.195  174.762   27.111  236.713   14.247 -61.95151 30.62600 
1 1 1  -17   19   32 o   49.640   13.481   36.248   32.533   25.428   55.597   41.882   40.119   49.466   20.166   49.814   17.895 -0.3473053 26.96146 
1 1 1  -17   20    1 o  259.666   17.010  1227.37  154.811  1123.44  203.540  1370.01  238.453  247.129   23.303  272.203   24.785 -25.07463 34.01932 
1 1 1  -17   20    3 o  232.295   15.829  941.824  126.397  704.182  161.230  1320.77  203.598  195.729   23.306  268.861   21.425 -73.13203 31.65779 
1 1 1  -17   20    5 o  275.163   13.104  1365.31  122.155  1394.31  204.921  1349.32  152.141  276.472   20.971  273.853   15.718 2.618805 26.20765 
1 1 1  -17   20    7 o  179.541   13.045  572.272   80.698  635.350  132.168  534.780  101.896  186.886   20.009  172.196   16.742 14.69003 26.08962 
1 1 1  -17   20    9 o  213.285   15.283  832.233  114.641  939.040  164.199  730.652  160.131  227.015   20.464  199.555   22.703 27.45975 30.56519 
1 1 1  -17   20   11 o  235.799   22.668  1020.89  188.915   0.0000   0.0000  1020.89  188.915  ?   ?   235.799   22.668      ?      ? 
1 1 1  -17   20   13 o  199.001   22.215  727.111  156.248   0.0000   0.0000  727.111  156.248  ?   ?   199.001   22.215      ?      ? 
1 1 1  -17   20   15 o  152.561   21.787  427.584  117.477   0.0000   0.0000  427.584  117.477  ?   ?   152.561   21.787      ?      ? 
1 1 1  -17   20   17 o  130.919   21.673  315.492  100.285   0.0000   0.0000  315.492  100.285  ?   ?   130.919   21.673      ?      ? 
1 1 1  -17   20   19 o  100.858   16.240  184.307   57.891   0.0000   0.0000  184.307   57.891  ?   ?   100.858   16.240      ?      ? 
1 1 1  -17   20   21 o   63.462   18.650   75.242   44.600   0.0000   0.0000   75.242   44.600  ?   ?    63.462   18.650      ?      ? 
1 1 1  -17   20   23 o  282.015   13.242  1439.53  126.538  1553.98  214.691  1378.61  156.637  288.977   21.020  275.053   16.112 13.92368 26.48473 
1 1 1  -17   20   25 o   75.702   11.605   87.163   31.371  192.674   55.706   38.160   37.963  102.729   15.342   48.676   17.416 54.05278 23.20994 
1 1 1  -17   20   27 o   56.126   14.102   53.983   35.182   38.771   56.995   63.348   44.718   53.719   20.895   58.533   18.943 -4.813797 28.20382 
1 1 1  -17   20   29 o  112.114   15.671  283.695   58.210  140.626   95.092  369.435   73.615   82.825   27.666  141.403   14.729 -58.57780 31.34298 
1 1 1  -17   20   31 o   96.742   18.772  197.208   65.079  175.034   83.619  231.273  103.643   90.765   25.181  102.719   27.848 -11.95425 37.54466 
1 1 1  -17   21    2 f  127.809   19.221  293.603   78.842  253.879   93.888  388.611  145.199  115.110   23.861  140.508   30.141 -25.39797 38.44224 
1 1 1  -17   21    4 o  242.796   12.581  1078.19  103.661  1040.47  170.631  1100.25  130.505  238.450   20.246  247.141   14.940 -8.690155 25.16189 
1 1 1  -17   21    6 o   40.744   11.229   19.118   23.236   4.4823   39.136   27.086   28.876   39.346   16.554   42.141   15.177 -2.794998 22.45861 
1 1 1  -17   21    8 o  107.238   13.517  221.124   48.073  178.853   75.462  249.996   62.365   96.679   22.505  117.796   14.979 -21.11711 27.03446 
1 1 1  -17   21   10 o  369.528   13.482  2492.94  167.775  2482.95  283.123  2498.34  208.286  367.175   21.816  371.881   15.847 -4.706177 26.96416 
1 1 1  -17   21   12 o   58.167   13.615   55.217   32.137   79.338   52.293   40.577   40.737   65.721   20.388   50.612   18.048 15.10943 27.22907 
1 1 1  -17   21   14 o   71.018   14.641   96.825   38.952   75.686   64.357  109.045   48.933   66.175   22.753   75.861   18.432 -9.686417 29.28217 
1 1 1  -17   21   16 o   87.041   16.596  147.239   52.323  131.523   78.290  159.925   70.339   82.924   24.795   91.158   22.068 -8.233871 33.19278 
1 1 1  -17   21   18 o   90.744   16.974  162.223   55.904  130.336   82.954  188.756   75.669   82.586   25.689   98.901   22.193 -16.31447 33.94717 
1 1 1  -17   21   20 o  110.443   23.069  236.955   87.145   0.0000   0.0000  236.955   87.145  ?   ?   110.443   23.069      ?      ? 
1 1 1  -17   21   22 o  117.006   23.231  267.702   92.682   0.0000   0.0000  267.702   92.682  ?   ?   117.006   23.231      ?      ? 
1 1 1  -17   21   24 o  241.565   23.420  1125.66  199.960   0.0000   0.0000  1125.66  199.960  ?   ?   241.565   23.420      ?      ? 
1 1 1  -17   21   26 o  158.609   18.575  475.269  104.129   0.0000   0.0000  475.269  104.129  ?   ?   158.609   18.575      ?      ? 
1 1 1  -17   21   28 o   24.797   10.467   1.5088   15.732   0.0000   0.0000   1.5088   15.732  ?   ?    24.797   10.467      ?      ? 
1 1 1  -17   22    1 o   74.436   14.200  107.589   39.759   67.171   59.334  140.526   53.563   62.728   21.831   86.144   18.164 -23.41594 28.39968 
1 1 1  -17   22    3 o   84.408   18.926  144.607   67.960  189.491   78.306   7.6169  136.802   99.046   22.836   69.769   30.187 29.27633 37.85177 
1 1 1  -17   22    5 o   38.743   14.581   20.266   27.146   0.0000   0.0000   20.266   27.146  ?   ?    38.743   14.581      ?      ? 
1 1 1  -17   22    7 o  112.355   14.272  234.302   54.703  246.580   85.190  225.688   71.357  113.596   22.013  111.113   18.170 2.483406 28.54317 
1 1 1  -17   22    9 o  116.232   11.916  242.527   48.498  270.897   75.084  222.219   63.528  121.865   17.432  110.600   16.251 11.26489 23.83242 
1 1 1  -17   22   11 o   62.003   12.559 -20.1457   4.0830   71.504   26.579 -22.3607   4.1321   62.003   12.559  ?   ?       ?      ? 
1 1 1  -17   22   13 o  140.835   16.147  384.825   74.299  344.848  121.873  408.471   93.732  132.315   26.975  149.355   17.756 -17.03951 32.29447 
1 1 1  -17   22   15 o   57.945   13.638   60.182   32.180   48.332   54.860   66.398   39.734   56.271   20.816   59.618   17.627 -3.347942 27.27640 
1 1 1  -17   22   17 o  134.693   15.806  361.604   69.279  288.167  110.639  408.971   88.855  120.076   26.754  149.311   16.837 -29.23469 31.61141 
1 1 1  -17   22   19 o  171.875   15.681  605.416   83.884  435.088  137.290  706.881  105.963  147.151   27.405  196.599   15.249 -49.44753 31.36237 
1 1 1  -17   22   21 o   53.476   12.524   47.752   26.255   66.068   46.213   39.022   31.903   59.637   19.253   47.314   16.024 12.32323 25.04863 
1 1 1  -17   22   23 o   61.532   14.427   71.067   36.679   62.818   54.971   77.686   49.243   59.486   20.992   63.578   19.795 -4.092163 28.85309 
1 1 1  -17   22   25 o   34.599   12.262 -29.6206   4.9194   19.357   18.776 -33.2307   5.0975   34.599   12.262  ?   ?       ?      ? 
1 1 1  -17   23    2 o   62.129   13.787   71.988   33.996   59.261   50.824   82.293   45.733   58.481   20.214   65.776   18.756 -7.294430 27.57471 
1 1 1  -17   23    4 o  156.738   13.708  457.144   74.074  449.215  117.680  462.347   95.328  154.745   21.516  158.731   16.992 -3.986343 27.41654 
1 1 1  -17   23    6 o   51.671   10.294   39.081   23.270   92.017   35.180  -2.0929   31.027   69.933   14.700   33.409   14.416 36.52409 20.58864 
1 1 1  -17   23    8 o   75.372   14.780  112.258   41.873   76.747   64.610  137.975   54.982   65.897   22.790   84.847   18.826 -18.95079 29.56035 
1 1 1  -17   23   10 o   49.673   17.329   41.307   37.395   0.0000   0.0000   41.307   37.395  ?   ?    49.673   17.329      ?      ? 
1 1 1  -17   23   12 o  138.592   15.118  380.289   68.083  309.663  108.818  425.719   87.275  124.833   25.525  152.352   16.208 -27.51868 30.23565 
1 1 1  -17   23   14 f   41.788   11.404   22.128   23.957   12.403   37.422   28.882   31.186   40.309   16.502   43.268   15.744 -2.959419 22.80753 
1 1 1  -17   23   16 o   93.205   12.807  163.487   40.351  194.524   62.288  141.044   52.967  100.841   18.143   85.569   18.080 15.27303 25.61353 
1 1 1  -17   23   18 o  154.677   16.695  505.532   80.959  349.556  129.708  605.078  103.621  128.748   29.178  180.606   16.233 -51.85837 33.39003 
1 1 1  -17   23   20 o   47.665   12.357   36.329   27.366   25.819   42.759   43.620   35.615   45.709   18.005   49.621   16.930 -3.912167 24.71412 
1 1 1  -17   23   22 o   39.718   10.439   18.698   19.538   40.004   32.302   6.4068   24.534   47.396   16.123   32.040   13.264 15.35643 20.87834 
1 1 1  -17   24    1 o  120.286   16.520  288.866   67.688  304.120   95.967  273.764   95.485  123.860   22.760  116.713   23.950 7.146446 33.03982 
1 1 1  -17   24    3 o  100.521   13.739  195.758   47.362  176.609   70.673  211.369   63.811   94.404   21.643  106.637   16.930 -12.23334 27.47832 
1 1 1  -17   24    5 o   60.898   12.950   64.210   32.855  111.154   48.355   23.955   44.778   75.673   18.284   46.124   18.343 29.54902 25.89914 
1 1 1  -17   24    7 o  119.901   14.409  271.015   59.161  332.392   90.329  224.909   78.289  132.836   19.239  106.965   21.455 25.87128 28.81746 
1 1 1  -17   24    9 o   68.755   20.618   91.761   54.078   0.0000   0.0000   91.761   54.078  ?   ?    68.755   20.618      ?      ? 
1 1 1  -17   24   11 o  121.454   14.500  288.454   59.210  264.993   91.902  305.103   77.420  115.021   23.403  127.888   17.128 -12.86780 29.00075 
1 1 1  -17   24   13 o   89.599   16.124  162.167   51.173  163.519   73.404  160.890   71.377   89.886   23.008   89.312   22.595 0.5743866 32.24702 
1 1 1  -17   24   15 o  134.016   16.064  356.752   73.907  404.152  105.385  310.875  103.677  144.762   20.597  123.269   24.658 21.49344 32.12835 
1 1 1  -17   24   17 o  190.979   14.082  710.194   91.792  676.885  147.608  731.197  117.213  184.981   22.577  196.978   16.836 -11.99655 28.16309 
1 1 1  -17   24   19 o   68.850   14.264   91.594   36.955  120.634   57.340   70.963   48.331   77.105   20.634   60.594   19.700 16.51149 28.52829 
1 1 1  -17   25    2 o   58.059   13.231   64.283   31.248   51.588   45.738   75.396   42.792   54.036   19.139   62.082   18.275 -8.046597 26.46276 
1 1 1  -17   25    4 o  109.024   15.761  141.098   49.767   82.894   54.012  468.335  128.070   65.114   20.792  152.934   23.693 -87.82003 31.52277 
1 1 1  -17   25    6 o   60.398   13.644   70.295   33.155   58.927   49.065   79.847   44.978   56.984   19.851   63.812   18.722 -6.828571 27.28705 
1 1 1  -17   25    8 o   36.572   13.972   18.070   25.157   0.0000   0.0000   18.070   25.157  ?   ?    36.572   13.972      ?      ? 
1 1 1  -17   25   10 o   86.436   15.115  156.172   46.209  122.706   71.902  179.720   60.313   77.244   23.898   95.629   18.514 -18.38488 30.23037 
1 1 1  -17   25   12 o   31.953   9.1489   7.7969   16.082   15.800   24.368   1.6203   21.407   35.300   13.681   28.607   12.150 6.692886 18.29772 
1 1 1  -17   25   14 o  100.651   16.333  208.537   56.382  227.727   86.744  194.500   74.192  104.103   24.058   97.199   22.096 6.903931 32.66558 
1 1 1  -16    0    2 o  441.991   13.021  3474.98  286.530  3474.98  286.530  3474.98  286.530  441.991   18.414  441.991   18.414 -0.000000 0.000000 
1 1 1  -16    0    4 o  470.452   13.347  3935.62  312.711  3935.62  312.711  3935.62  312.711  470.452   18.876  470.452   18.876 -0.000000 0.000000 
1 1 1  -16    0    6 f  464.733   13.261  3840.64  306.895  3840.64  306.895  3840.64  306.895  464.733   18.753  464.733   18.753 -0.000000 0.000000 
1 1 1  -16    0    8 o  1208.69   23.799 25993.70  1435.31 25993.70  1435.31 25993.70  1435.31  1208.69   33.657  1208.69   33.657 -0.000000 0.000000 
1 1 1  -16    0   10 o  120.130   11.833  269.740   67.108  269.740   67.108  269.740   67.108  120.130   16.734  120.130   16.734 -0.000000 0.000000 
1 1 1  -16    0   12 o  424.002   12.811  3199.00  270.389  3199.00  270.389  3199.00  270.389  424.002   18.118  424.002   18.118 -0.000000 0.000000 
1 1 1  -16    0   14 o  136.091   11.528  341.540   75.441  341.540   75.441  341.540   75.441  136.091   16.303  136.091   16.303 -0.000000 0.000000 
1 1 1  -16    0   16 o  364.856   12.304  2372.26  223.232  2372.26  223.232  2372.26  223.232  364.856   17.401  364.856   17.401 -0.000000 0.000000 
1 1 1  -16    0   18 o   85.853   13.444  148.098   50.442  148.098   50.442  148.098   50.442   85.853   19.013   85.853   19.013 -0.000000 0.000000 
1 1 1  -16    0   20 o  442.151   12.921  3481.49  284.462  3481.49  284.462  3481.49  284.462  442.151   18.274  442.151   18.274 -0.000000 0.000000 
1 1 1  -16    0   24 o  427.435   12.837  3260.19  273.145  3260.19  273.145  3260.19  273.145  427.435   18.155  427.435   18.155 -0.000000 0.000000 
1 1 1  -16    0   26 o  743.829   24.126 10022.79  892.717 10022.79  892.717 10022.79  892.717  743.829   34.120  743.829   34.120 -0.000000 0.000000 
1 1 1  -16    0   28 o  226.543   16.359  943.818  180.821  943.818  180.821  943.818  180.821  226.543   23.136  226.543   23.136 -0.000000 0.000000 
1 1 1  -16    0   30 o  739.516   24.168  9970.43  889.021  9970.43  889.021  9970.43  889.021  739.516   34.179  739.516   34.179 -0.000000 0.000000 
1 1 1  -16    0   42 o  141.178   18.441  395.992  117.064  395.992  117.064  395.992  117.064  141.178   26.080  141.178   26.080 -0.000000 0.000000 
1 1 1  -16    0   44 o  667.991   23.741  8542.97  788.110  8542.97  788.110  8542.97  788.110  667.991   33.574  667.991   33.574 -0.000000 0.000000 
1 1 1  -16    0   46 o   42.590   16.444   48.244   49.818   48.244   49.818   48.244   49.818   42.590   23.256   42.590   23.256 -0.000000 0.000000 
1 1 1  -16    1    1 o  395.443   12.491  2771.25  174.513  2680.44  246.739  2862.14  246.858  388.944   17.949  401.943   17.377 -12.99921 24.98193 
1 1 1  -16    1    3 o  439.720   12.939  3426.98  201.010  3316.89  284.237  3537.12  284.305  432.635   18.588  446.805   18.003 -14.17038 25.87727 
1 1 1  -16    1    5 o  879.309   18.673 13740.38  580.260 13997.28  820.652 13483.53  820.572  887.574   26.160  871.044   26.654 16.53033 37.34637 
1 1 1  -16    1    7 o  1312.82   25.434 30771.18  1180.15 30569.63  1669.00 30972.71  1668.96  1308.47   36.089  1317.16   35.850 -8.687378 50.86854 
1 1 1  -16    1    9 o  713.270   16.278  9030.75  410.279  9261.41  580.265  8800.16  580.180  722.418   22.726  704.122   23.313 18.29553 32.55681 
1 1 1  -16    1   11 o  1414.34   27.217 35796.03  1360.52 35471.51  1924.08 36120.54  1924.06  1407.85   38.668  1420.83   38.314 -12.98376 54.43469 
1 1 1  -16    1   13 o  692.299   15.979  8511.54  390.922  8706.82  552.887  8316.31  552.808  700.278   22.338  684.319   22.856 15.95929 31.95893 
1 1 1  -16    1   15 o  1222.11   24.116 26701.98  1041.64 26950.47  1473.13 26453.51  1473.07  1227.86   33.945  1216.36   34.264 11.50464 48.23165 
1 1 1  -16    1   17 o  264.351   11.085  1238.49  103.572  1235.64  146.486  1241.33  146.460  264.047   15.696  264.656   15.657 -0.6090393 22.17033 
1 1 1  -16    1   19 o  483.896   13.420  4159.03  229.531  4151.51  324.633  4166.54  324.578  483.457   18.998  484.336   18.961 -0.8794250 26.84100 
1 1 1  -16    1   21 o  183.592   13.249  600.182   81.069  597.061  140.086  601.754   99.407  183.039   21.654  184.144   15.274 -1.104630 26.49826 
1 1 1  -16    1   23 o  1236.99   36.101 28710.02  1577.95 28004.91  2231.79 29414.84  2231.33  1220.86   51.721  1253.12   50.379 -32.26428 72.20184 
1 1 1  -16    1   25 f  150.748   13.139  406.881   65.955  409.191   80.884  402.297  113.938  151.650   15.090  149.845   21.513 1.805344 26.27817 
1 1 1  -16    1   27 o  169.706   12.792  535.792   70.717  575.495   86.778  457.297  122.016  179.866   13.650  159.546   21.638 20.31972 25.58361 
1 1 1  -16    1   29 o  312.292   16.495  1763.84  181.694  1898.02  257.553  1630.91  256.359  324.376   22.465  300.208   24.160 24.16736 32.99069 
1 1 1  -16    1   31 o  766.755   35.541 10996.43  963.190   0.0000   0.0000 10996.43  963.190  ?   ?   766.755   35.541      ?      ? 
1 1 1  -16    1   39 f  469.698   27.480  4113.61  456.208   0.0000   0.0000  4113.61  456.208  ?   ?   469.698   27.480      ?      ? 
1 1 1  -16    1   41 o  577.423   30.835  6395.56  629.303   0.0000   0.0000  6395.56  629.303  ?   ?   577.423   30.835      ?      ? 
1 1 1  -16    1   43 o  113.044   24.080  248.811   93.266   0.0000   0.0000  248.811   93.266  ?   ?   113.044   24.080      ?      ? 
1 1 1  -16    1   45 o  319.035   25.192  1986.81  284.071   0.0000   0.0000  1986.81  284.071  ?   ?   319.035   25.192      ?      ? 
1 1 1  -16    1   47 o  186.557   23.875  697.990  157.427   0.0000   0.0000  697.990  157.427  ?   ?   186.557   23.875      ?      ? 
1 1 1  -16    2    2 o  801.753   17.302 11419.74  490.007 11868.42  693.055 10971.26  692.895  817.583   23.984  785.924   24.944 31.65887 34.60377 
1 1 1  -16    2    4 o  1763.95   41.218 56538.20  2417.90 56330.88  4187.77 56641.86  2961.37  1753.45   67.572  1774.45   47.218 -20.99292 82.43520 
1 1 1  -16    2    6 o  103.607   10.975  190.123   40.174  195.971   56.761  184.253   56.868  105.207   15.265  102.007   15.773 3.200584 21.94985 
1 1 1  -16    2    8 f  629.851   15.185  7040.68  337.776  7368.91  477.777  6712.70  477.598  644.590   20.971  615.113   21.968 29.47650 30.37060 
1 1 1  -16    2   10 o  689.387   15.873  8435.10  386.710  8587.06  546.941  8283.19  546.841  695.622   22.246  683.151   22.648 12.47095 31.74570 
1 1 1  -16    2   12 o  965.044   24.598 16677.54  789.674 16750.74  967.185 16531.16  1367.65  970.043   28.210  960.045   40.305 9.998169 49.19670 
1 1 1  -16    2   14 o  257.729   11.608  1180.84  105.199  1318.58  148.841  1043.36  148.707  272.835   15.435  242.622   17.341 30.21280 23.21535 
1 1 1  -16    2   16 o  826.110   18.002 12147.76  525.529 12404.49  743.263 11891.10  743.157  834.901   25.188  817.319   25.726 17.58209 36.00323 
1 1 1  -16    2   18 o  796.586   17.547 11304.54  494.015 11410.24  698.683 11198.86  698.602  800.340   24.699  792.833   24.930 7.507019 35.09384 
1 1 1  -16    2   20 o  322.188   11.832  1843.11  134.704  1888.56  190.512  1797.68  190.487  326.178   16.525  318.198   16.937 7.980621 23.66351 
1 1 1  -16    2   22 o  1069.10   31.008 20614.07  1171.70 20614.07  1171.70   0.0000   0.0000  1069.10   31.008  ?   ?       ?      ? 
1 1 1  -16    2   24 o  202.658   15.989  738.264  114.046  664.979  161.877  810.488  160.701  192.490   23.793  212.825   21.364 -20.33511 31.97703 
1 1 1  -16    2   26 o  549.696   20.253  5486.64  393.323  5666.33  556.668  5307.50  555.818  558.919   28.179  540.474   29.096 18.44586 40.50502 
1 1 1  -16    2   28 o  725.005   23.751  9699.64  608.015 10181.18  860.337  9219.17  859.390  743.758   32.728  706.251   34.428 37.50714 47.50144 
1 1 1  -16    2   30 o   60.805   13.475   65.002   32.315   77.082   47.343   54.464   44.217   65.017   19.245   56.593   18.865 8.424236 26.94906 
1 1 1  -16    2   32 o  147.224   14.988  392.043   77.529  446.230  110.831  340.121  108.490  157.385   19.924  137.062   22.395 20.32365 29.97521 
1 1 1  -16    2   34 o  792.295   25.933 11882.04  726.176 12005.53  1027.26 11758.68  1026.68  796.687   36.481  787.904   36.867 8.783630 51.86608 
1 1 1  -16    2   36 o  144.087   21.983  377.424  111.953   0.0000   0.0000  377.424  111.953  ?   ?   144.087   21.983      ?      ? 
1 1 1  -16    2   38 o  291.854   23.666  1562.68  244.122   0.0000   0.0000  1562.68  244.122  ?   ?   291.854   23.666      ?      ? 
1 1 1  -16    2   40 o  297.250   23.892  1634.48  251.010   0.0000   0.0000  1634.48  251.010  ?   ?   297.250   23.892      ?      ? 
1 1 1  -16    2   42 o  297.747   24.111  1660.19  253.736   0.0000   0.0000  1660.19  253.736  ?   ?   297.747   24.111      ?      ? 
1 1 1  -16    2   44 o  105.122   24.063  218.235   87.475   0.0000   0.0000  218.235   87.475  ?   ?   105.122   24.063      ?      ? 
1 1 1  -16    2   46 o  310.634   25.409  1928.32  278.968   0.0000   0.0000  1928.32  278.968  ?   ?   310.634   25.409      ?      ? 
1 1 1  -16    3    1 o  810.761   17.608 11681.15  504.489 11930.67  713.532 11431.73  713.378  819.466   24.636  802.056   25.165 17.41046 35.21621 
1 1 1  -16    3    3 o  347.944   11.606  2144.43  142.718  2183.62  201.988  2105.35  201.679  351.126   16.276  344.762   16.551 6.363770 23.21279 
1 1 1  -16    3    5 o  774.988   17.158 10665.40  469.984 10697.48  664.743 10633.34  664.571  776.159   24.232  773.818   24.299 2.340454 34.31616 
1 1 1  -16    3    7 o  712.501   16.382  9015.29  412.258  9402.15  583.116  8628.68  582.924  727.858   22.667  697.145   23.658 30.71326 32.76366 
1 1 1  -16    3    9 o  681.606   15.794  8247.60  380.319  8526.13  537.909  7969.18  537.794  693.165   21.956  670.046   22.709 23.11810 31.58712 
1 1 1  -16    3   11 o  355.842   11.969  2243.79  150.508  2289.28  212.977  2198.41  212.724  359.454   16.764  352.230   17.087 7.224152 23.93724 
1 1 1  -16    3   13 o  508.836   13.620  4592.90  244.893  4713.69  346.436  4472.25  346.226  515.548   19.012  502.124   19.509 13.42407 27.24069 
1 1 1  -16    3   15 o  667.847   18.950  7875.45  423.182  8150.71  733.373  7738.05  518.149  675.724   30.707  659.972   22.213 15.75201 37.89902 
1 1 1  -16    3   17 f  635.343   15.251  7176.83  342.363  7396.63  484.277  6957.22  484.073  645.126   21.239  625.560   21.894 19.56616 30.50286 
1 1 1  -16    3   19 o  591.492   18.349  6282.15  360.422  6352.29  441.472  6141.96  624.133  597.536   20.904  585.448   30.163 12.08826 36.69796 
1 1 1  -16    3   23 o  449.943   18.558  3640.46  295.107  3683.75  417.674  3597.31  417.015  452.654   26.107  447.231   26.382 5.422943 37.11521 
1 1 1  -16    3   25 o  729.318   23.758  9737.60  611.965 10157.25  865.854  9318.73  865.047  745.571   32.858  713.066   34.323 32.50519 47.51539 
1 1 1  -16    3   27 o  595.034   21.239  6464.32  446.664  6539.13  632.073  6389.70  631.285  598.575   29.876  591.494   30.196 7.080505 42.47851 
1 1 1  -16    3   29 o  205.548   13.687  761.649   93.202  749.145  162.304  767.802  113.843  203.713   22.542  207.383   15.531 -3.670746 27.37451 
1 1 1  -16    3   31 o  393.751   14.559  2695.50  193.550  3129.75  336.123  2480.09  236.739  415.724   22.876  371.777   18.016 43.94653 29.11843 
1 1 1  -16    3   33 o  937.499   24.250 16231.38  760.681 17233.70  1318.40 15731.19  931.338  950.617   39.239  924.380   28.506 26.23700 48.50058 
1 1 1  -16    3   35 o  142.512   14.293  382.507   64.115  343.410  112.843  401.145   77.913  135.261   24.506  149.762   14.719 -14.50139 28.58698 
1 1 1  -16    3   37 o  371.266   15.115  2486.36  187.187  2572.68  325.310  2443.63  228.873  374.327   24.588  368.204   17.587 6.122589 30.23030 
1 1 1  -16    3   39 o  289.226   23.666  1540.39  241.921   0.0000   0.0000  1540.39  241.921  ?   ?   289.226   23.666      ?      ? 
1 1 1  -16    3   41 o  401.626   26.139  3031.57  371.053   0.0000   0.0000  3031.57  371.053  ?   ?   401.626   26.139      ?      ? 
1 1 1  -16    3   43 o  488.609   28.825  4644.63  497.803   0.0000   0.0000  4644.63  497.803  ?   ?   488.609   28.825      ?      ? 
1 1 1  -16    4    2 o  468.081   13.243  3884.53  219.080  3851.89  309.965  3917.11  309.687  466.109   18.815  470.052   18.640 -3.943787 26.48532 
1 1 1  -16    4    4 o  654.583   15.516  7604.54  358.959  7542.19  507.715  7666.85  507.573  651.889   22.036  657.278   21.849 -5.389343 31.03136 
1 1 1  -16    4    6 o  1464.01   28.260 38410.51  1462.15 38996.95  2067.87 37824.16  2067.73  1475.34   39.656  1452.68   40.272 22.66357 56.51944 
1 1 1  -16    4    8 o  1173.67   23.126 24578.51  959.319 24412.29  1356.75 24744.69  1356.61  1169.66   32.819  1177.68   32.592 -8.013916 46.25244 
1 1 1  -16    4   10 o  732.385   16.585  9529.25  429.274  9700.25  607.190  9358.36  606.981  738.988   23.247  725.781   23.662 13.20630 33.17088 
1 1 1  -16    4   12 o  570.104   14.458  5768.35  291.249  5920.24  412.008  5616.63  411.768  577.637   20.180  562.571   20.709 15.06622 28.91545 
1 1 1  -16    4   14 o  927.904   24.616 15623.82  754.992 16035.19  924.716 14801.31  1307.56  948.694   27.578  907.114   40.783 41.57990 49.23217 
1 1 1  -16    4   16 o  218.871   13.084  850.909   95.357  852.383  116.785  847.961  165.175  219.311   15.066  218.430   21.395 0.8814545 26.16742 
1 1 1  -16    4   18 o  633.125   21.525  7184.31  481.330  7497.22  681.151  6872.23  680.255  647.084   29.783  619.166   31.085 27.91803 43.04942 
1 1 1  -16    4   22 o  866.042   26.618 13710.87  814.422 14157.18  1152.16 13265.17  1151.37  880.602   37.018  851.481   38.258 29.12128 53.23533 
1 1 1  -16    4   24 o  431.754   18.423  3362.09  281.070  3281.09  397.864  3442.78  397.122  426.448   26.397  437.060   25.708 -10.61191 36.84651 
1 1 1  -16    4   26 o   77.966   13.298  108.614   34.288  125.807   61.262  100.770   41.376   82.184   21.010   73.748   16.307 8.435043 26.59535 
1 1 1  -16    4   28 o  244.296   14.596  1105.87  116.332  982.461  202.447  1166.70  142.144  232.934   24.590  255.658   15.731 -22.72383 29.19116 
1 1 1  -16    4   30 o  877.857   22.952 14044.29  675.005 15015.08  1170.02 13559.99  826.399  894.149   37.022  861.564   27.138 32.58521 45.90355 
1 1 1  -16    4   32 o  435.702   15.934  3435.07  230.961  3455.04  400.815  3425.14  282.594  434.812   26.081  436.591   18.313 -1.778320 31.86834 
1 1 1  -16    4   34 o  638.401   18.794  7395.57  400.964  7732.56  695.394  7227.73  490.760  645.476   30.481  631.326   21.994 14.15051 37.58740 
1 1 1  -16    4   36 o  601.553   21.660  6767.22  460.247  7033.33  651.629  6502.31  650.149  614.001   30.027  589.105   31.225 24.89618 43.31979 
1 1 1  -16    4   38 o  611.071   19.059  6947.17  386.200  6900.97  670.179  6970.14  472.553  604.248   31.380  617.894   21.638 -13.64581 38.11715 
1 1 1  -16    4   40 o  557.633   30.126  5923.06  593.759   0.0000   0.0000  5923.06  593.759  ?   ?   557.633   30.126      ?      ? 
1 1 1  -16    4   42 o  188.605   16.594  670.005  109.622  576.124  155.787  762.082  154.283  174.603   25.244  202.607   21.545 -28.00369 33.18803 
1 1 1  -16    4   44 o   70.352   22.811   93.311   64.818   93.311   64.818   0.0000   0.0000   70.352   22.811  ?   ?       ?      ? 
1 1 1  -16    4   46 o  333.864   18.540  2264.74  218.486  2147.73  309.116  2381.55  308.854  323.935   26.999  343.792   25.418 -19.85727 37.08092 
1 1 1  -16    5    1 o  267.500   11.788  1268.00  111.450  1280.32  157.964  1255.78  157.266  268.797   16.627  266.204   16.715 2.593170 23.57631 
1 1 1  -16    5    3 o  212.573   10.585  800.471   79.506  785.634  112.925  815.056  111.959  210.613   15.170  214.533   14.765 -3.919922 21.16948 
1 1 1  -16    5    5 o  162.196   10.873  467.187   62.133  427.674   88.337  505.873   87.409  155.373   16.086  169.018   14.632 -13.64468 21.74515 
1 1 1  -16    5    7 o  995.284   20.667 17649.10  726.991 17772.70  1028.20 17525.55  1028.04  998.797   29.126  991.772   29.328 7.024414 41.33323 
1 1 1  -16    5    9 o  748.017   17.016  9944.27  449.850 10078.95  636.284  9809.68  636.085  753.109   23.904  742.925   24.224 10.18384 34.03265 
1 1 1  -16    5   11 o  500.239   16.609  4433.19  277.227  4405.70  339.571  4488.14  480.062  498.371   19.278  502.107   27.051 -3.736603 33.21721 
1 1 1  -16    5   13 o  344.019   16.897  2105.26  205.321  2199.46  291.060  2011.96  289.681  351.724   23.413  336.314   24.370 15.41013 33.79459 
1 1 1  -16    5   15 o  492.087   19.226  4319.37  334.354  4267.16  473.516  4371.29  472.182  489.087   27.392  495.087   26.984 -6.000031 38.45101 
1 1 1  -16    5   17 o  185.235   15.500  610.941  101.327  653.820  144.112  569.016  142.499  191.704   21.269  178.766   22.553 12.93832 31.00027 
1 1 1  -16    5   19 o  500.605   27.361  4489.65  484.112   0.0000   0.0000  4489.65  484.112  ?   ?   500.605   27.361      ?      ? 
1 1 1  -16    5   21 o  714.122   20.255  9194.76  481.011  9156.16  833.830  9214.01  588.870  710.690   33.195  717.555   23.219 -6.865845 40.50994 
1 1 1  -16    5   23 o  877.191   23.999 14230.46  694.919 13523.86  1204.18 14583.28  850.906  855.292   39.834  899.091   26.777 -43.79932 47.99756 
1 1 1  -16    5   25 o  338.373   14.913  2068.18  167.133  2012.94  290.375  2095.55  204.383  334.058   24.593  342.688   16.874 -8.630157 29.82569 
1 1 1  -16    5   27 o  224.729   14.312  932.391  105.127  836.414  182.907  979.738  128.466  215.112   24.057  234.347   15.510 -19.23505 28.62352 
1 1 1  -16    5   29 o  678.560   23.042  8522.43  552.577  8658.19  782.153  8387.15  780.773  684.182   32.344  672.938   32.827 11.24432 46.08434 
1 1 1  -16    5   31 o  302.657   16.801  1663.96  179.669  1625.30  254.770  1702.22  253.417  299.040   24.104  306.275   23.410 -7.234619 33.60155 
1 1 1  -16    5   33 o  446.078   16.195  3610.82  240.118  3622.56  417.074  3605.00  293.670  444.557   26.544  447.600   18.563 -3.043304 32.39090 
1 1 1  -16    5   35 o  135.109   12.248  304.071   55.549  409.396   99.465  256.331   66.964  150.663   18.679  119.554   15.847 31.10890 24.49551 
1 1 1  -16    5   37 o  324.172   15.051  1929.31  161.072  1867.93  280.623  1959.47  196.701  318.510   24.928  329.835   16.873 -11.32462 30.10114 
1 1 1  -16    5   39 o  440.849   18.455  3528.32  287.562   0.0000   0.0000  3528.32  287.562  ?   ?   440.849   18.455      ?      ? 
1 1 1  -16    5   41 o  479.935   19.054  4217.96  323.212   0.0000   0.0000  4217.96  323.212  ?   ?   479.935   19.054      ?      ? 
1 1 1  -16    5   43 o  167.204   16.166  527.771   95.374  571.204  137.246  487.211  132.631  174.112   22.302  160.296   23.410 13.81584 32.33296 
1 1 1  -16    5   45 o  124.245   25.815  315.673  109.661  315.673  109.661   0.0000   0.0000  124.245   25.815  ?   ?       ?      ? 
1 1 1  -16    5   47 o   79.275   18.183  124.903   49.865   0.0000   0.0000  124.903   49.865  ?   ?    79.275   18.183      ?      ? 
1 1 1  -16    6    2 o  349.977   14.669  2156.35  171.866  2229.71  297.172  2119.48  210.673  354.173   23.740  345.782   17.238 8.390686 29.33791 
1 1 1  -16    6    4 o  213.298   19.416  863.200  131.350  1225.51  185.180  496.340  186.340  262.813   19.935  163.784   33.323 99.02971 38.83139 
1 1 1  -16    6    6 o  174.516   13.900  552.376   80.261  576.950   98.843  504.812  137.514  180.469   15.496  168.564   23.081 11.90529 27.80075 
1 1 1  -16    6    8 o  288.226   16.549  1476.89  168.517  1441.58  239.738  1511.38  236.924  284.790   23.817  291.661   22.983 -6.870667 33.09817 
1 1 1  -16    6   10 o  536.496   19.824  5129.96  375.828  5250.96  532.062  5009.46  530.943  542.859   27.730  530.132   28.336 12.72675 39.64742 
1 1 1  -16    6   12 o  314.772   16.448  1764.14  182.514  1919.73  259.179  1611.08  257.061  328.635   22.313  300.908   24.170 27.72675 32.89517 
1 1 1  -16    6   14 o  305.872   16.405  1665.65  177.145  1767.38  251.626  1565.69  249.428  315.190   22.587  296.553   23.797 18.63699 32.80981 
1 1 1  -16    6   16 o  651.095   21.853  7605.59  502.407  7991.73  711.037  7220.59  709.987  667.843   30.123  634.347   31.667 33.49579 43.70557 
1 1 1  -16    6   18 o  172.502   13.695  533.739   77.556  518.059  137.051  541.125   94.066  170.396   22.756  174.609   15.242 -4.212784 27.38935 
1 1 1  -16    6   20 o  581.275   20.842  6092.16  428.185  6087.80  606.258  6096.51  604.834  581.049   29.521  581.501   29.428 -0.4517822 41.68324 
1 1 1  -16    6   22 o  1074.01   27.183 21175.40  972.077 21466.84  1684.45 21029.88  1190.28  1072.17   44.451  1075.85   31.302 -3.683594 54.36621 
1 1 1  -16    6   24 o  513.855   17.162  4774.98  292.745  4709.71  507.908  4807.44  358.235  509.466   28.207  518.245   19.558 -8.779144 34.32357 
1 1 1  -16    6   26 o  399.113   14.984  2820.00  200.269  3001.20  347.963  2730.25  244.896  407.534   24.157  390.692   17.735 16.84161 29.96837 
1 1 1  -16    6   28 o  1018.01   26.024 19166.93  885.235 20125.93  1534.36 18688.45  1083.80  1027.85   42.235  1008.17   30.416 19.68134 52.04735 
1 1 1  -16    6   30 o  926.192   24.701 15995.89  760.814 16200.66  1318.84 15893.75  931.427  921.818   40.479  930.567   28.319 -8.748962 49.40136 
1 1 1  -16    6   32 o  635.261   19.004  7359.25  402.196  7522.98  697.992  7277.87  492.106  636.700   31.017  633.823   21.967 2.876892 38.00770 
1 1 1  -16    6   34 o  200.130   12.458  676.336   83.858  865.956  148.882  588.224  101.489  219.094   19.226  181.166   15.850 37.92798 24.91698 
1 1 1  -16    6   36 o   85.067   14.726  124.157   38.663  162.008   80.728  112.891   44.043   92.319   24.380   77.815   16.524 14.50381 29.45190 
1 1 1  -16    6   38 o  291.881   13.695  1489.45  133.667  1731.07  236.967  1376.69  161.878  307.506   21.803  276.256   16.579 31.25027 27.39029 
1 1 1  -16    6   40 f  162.205   15.533  475.415   89.054   0.0000   0.0000  475.415   89.054  ?   ?   162.205   15.533      ?      ? 
1 1 1  -16    6   42 o  136.752   14.554  341.757   61.657  374.842  117.308  329.128   72.475  138.906   24.804  134.597   15.235 4.309906 29.10882 
1 1 1  -16    6   44 o  176.017   17.303  606.029  106.978  569.193  156.497  638.341  146.570  169.875   26.065  182.159   22.765 -12.28415 34.60692 
1 1 1  -16    6   46 o  322.611   14.571  2007.53  154.759  2082.95  273.776  1972.12  187.609  321.513   24.092  323.709   16.398 -2.195923 29.14301 
1 1 1  -16    7    1 o  147.952   21.456  389.012  112.197   0.0000   0.0000  389.012  112.197  ?   ?   147.952   21.456      ?      ? 
1 1 1  -16    7    7 o  144.548   21.872  371.261  111.741   0.0000   0.0000  371.261  111.741  ?   ?   144.548   21.872      ?      ? 
1 1 1  -16    7    9 f  365.548   24.444  2378.25  315.817   0.0000   0.0000  2378.25  315.817  ?   ?   365.548   24.444      ?      ? 
1 1 1  -16    7   11 o  171.041   21.910  520.159  132.451   0.0000   0.0000  520.159  132.451  ?   ?   171.041   21.910      ?      ? 
1 1 1  -16    7   13 o  179.547   15.522  571.636   98.501   0.0000   0.0000  571.636   98.501  ?   ?   179.547   15.522      ?      ? 
1 1 1  -16    7   15 o  656.250   19.943  7874.14  430.377  7239.44  746.263  8190.44  526.810  634.369   33.284  678.132   21.980 -43.76337 39.88609 
1 1 1  -16    7   17 o  608.099   19.158  6746.41  383.772  6290.31  665.777  6973.37  469.648  590.778   31.885  625.420   21.246 -34.64148 38.31507 
1 1 1  -16    7   19 o  681.457   32.195  8409.62  775.437   0.0000   0.0000  8409.62  775.437  ?   ?   681.457   32.195      ?      ? 
1 1 1  -16    7   21 o  258.425   14.387  1205.52  122.537  1162.53  214.461  1226.35  149.309  254.401   23.851  262.448   16.096 -8.047852 28.77434 
1 1 1  -16    7   23 o  442.151   15.519  3448.16  229.938  3707.43  399.882  3320.09  281.049  453.316   24.958  430.987   18.450 22.32898 31.03724 
1 1 1  -16    7   25 o  402.078   17.839  2926.91  253.391  3042.13  359.438  2813.08  357.271  410.107   24.797  394.049   25.652 16.05862 35.67850 
1 1 1  -16    7   27 o  684.838   20.181  8611.51  458.294  8480.79  795.023  8676.57  560.858  676.786   33.236  692.890   22.902 -16.10388 40.36234 
1 1 1  -16    7   29 o  265.501   14.474  1284.98  126.431  1229.43  221.266  1311.92  154.057  260.202   24.059  270.800   16.096 -10.59811 28.94703 
1 1 1  -16    7   31 o  840.511   23.051 13143.23  643.764 13225.75  1116.35 13102.12  787.982  834.940   37.829  846.082   26.350 -11.14142 46.10168 
1 1 1  -16    7   33 o  369.585   17.941  2501.31  234.188  2414.71  332.968  2586.09  329.444  362.956   25.955  376.215   24.776 -13.25977 35.88203 
1 1 1  -16    7   35 o  809.086   22.769 12313.90  611.231 12357.92  1060.79 12292.01  747.860  801.364   37.452  816.808   25.905 -15.44397 45.53835 
1 1 1  -16    7   37 o  520.790   16.637  4869.42  290.348  5357.97  506.541  4630.36  354.335  536.894   26.693  504.686   19.864 32.20865 33.27358 
1 1 1  -16    7   39 o  165.095   16.327  537.707   81.448  445.445  148.303  577.554   97.462  151.277   28.789  178.913   15.412 -27.63672 32.65477 
1 1 1  -16    7   41 o  353.727   15.147  2295.68  177.685  2411.11  312.754  2240.67  215.915  357.298   24.766  350.156   17.446 7.142273 30.29374 
1 1 1  -16    7   43 o  143.168   16.956  444.391   62.495  326.442  139.416  474.052   69.913  124.404   31.635  161.931   12.215 -37.52760 33.91174 
1 1 1  -16    7   45 o  253.171   15.580  1326.47  110.850  1107.52  231.072  1391.93  126.336  230.757   28.332  275.586   12.970 -44.82903 31.15946 
1 1 1  -16    8   10 o  822.335   36.041 12171.77  1047.52   0.0000   0.0000 12171.77  1047.52  ?   ?   822.335   36.041      ?      ? 
1 1 1  -16    8   12 o  518.162   27.702  4801.90  507.342   0.0000   0.0000  4801.90  507.342  ?   ?   518.162   27.702      ?      ? 
1 1 1  -16    8   14 o  683.366   32.085  8403.85  774.953   0.0000   0.0000  8403.85  774.953  ?   ?   683.366   32.085      ?      ? 
1 1 1  -16    8   16 o  502.825   27.415  4538.66  487.219   0.0000   0.0000  4538.66  487.219  ?   ?   502.825   27.415      ?      ? 
1 1 1  -16    8   18 o  263.635   22.730  1244.17  211.795   0.0000   0.0000  1244.17  211.795  ?   ?   263.635   22.730      ?      ? 
1 1 1  -16    8   20 o  1011.21   29.658 18541.35  1059.98   0.0000   0.0000 18541.35  1059.98  ?   ?   1011.21   29.658      ?      ? 
1 1 1  -16    8   22 o  222.207   15.880  880.043  124.717   0.0000   0.0000  880.043  124.717  ?   ?   222.207   15.880      ?      ? 
1 1 1  -16    8   24 o  253.176   16.079  1143.98  143.879   0.0000   0.0000  1143.98  143.879  ?   ?   253.176   16.079      ?      ? 
1 1 1  -16    8   26 o  860.808   38.614 13935.72  1174.81   0.0000   0.0000 13935.72  1174.81  ?   ?   860.808   38.614      ?      ? 
1 1 1  -16    8   28 o   91.898   13.602  141.470   39.077  198.096   76.232  121.287   45.512  102.896   21.647   80.901   16.476 21.99497 27.20414 
1 1 1  -16    8   30 o  673.266   21.350  8641.83  468.064  7641.47  812.070  9139.51  572.780  636.763   36.082  709.768   22.832 -73.00433 42.69959 
1 1 1  -16    8   32 o  213.731   15.279  865.118  104.462  733.487  185.169  926.566  126.516  200.016   26.193  227.445   15.738 -27.42859 30.55737 
1 1 1  -16    8   34 o  314.669   15.965  1870.95  162.130  1630.93  285.211  1985.54  197.067  297.045   27.166  332.294   16.779 -35.24951 31.93006 
1 1 1  -16    8   36 o  466.583   20.472  4090.84  335.585  3629.98  477.076  4542.21  472.141  438.782   30.762  494.383   27.020 -55.60089 40.94395 
1 1 1  -16    8   38 o  427.567   18.292  3322.47  276.434   0.0000   0.0000  3322.47  276.434  ?   ?   427.567   18.292      ?      ? 
1 1 1  -16    8   40 o  363.095   18.195  2493.03  233.388  2495.72  335.225  2490.50  325.126  362.909   26.135  363.280   25.322 -0.3711548 36.38963 
1 1 1  -16    8   42 o  407.478   15.184  3155.97  184.428  3059.44  375.215  3186.73  211.775  396.361   26.784  418.595   14.314 -22.23331 30.36862 
1 1 1  -16    8   44 o  239.663   12.828  1048.97  108.665   0.0000   0.0000  1048.97  108.665  ?   ?   239.663   12.828      ?      ? 
1 1 1  -16    9    1 o  164.529   17.154  501.193   93.853  356.340  132.971  644.994  132.487  138.643   28.098  190.414   19.686 -51.77130 34.30771 
1 1 1  -16    9    3 o  667.900   31.691  8011.08  748.108  8011.08  748.108   0.0000   0.0000  667.900   31.691  ?   ?       ?      ? 
1 1 1  -16    9    5 o  286.758   18.431  1496.02  181.902  1115.28  258.475  1869.62  256.039  249.530   29.307  323.985   22.359 -74.45508 36.86274 
1 1 1  -16    9    7 o  389.096   18.655  2719.10  254.690  2355.39  361.253  3078.56  359.130  362.790   28.173  415.401   24.460 -52.61090 37.31000 
1 1 1  -16    9    9 o  313.750   23.456  1755.51  260.116   0.0000   0.0000  1755.51  260.116  ?   ?   313.750   23.456      ?      ? 
1 1 1  -16    9   11 o  667.724   31.650  8021.15  746.940   0.0000   0.0000  8021.15  746.940  ?   ?   667.724   31.650      ?      ? 
1 1 1  -16    9   13 o  342.178   23.986  2093.26  290.086   0.0000   0.0000  2093.26  290.086  ?   ?   342.178   23.986      ?      ? 
1 1 1  -16    9   15 o  592.711   29.724  6335.58  622.696   0.0000   0.0000  6335.58  622.696  ?   ?   592.711   29.724      ?      ? 
1 1 1  -16    9   17 o  248.619   22.522  1107.24  197.909   0.0000   0.0000  1107.24  197.909  ?   ?   248.619   22.522      ?      ? 
1 1 1  -16    9   19 o  194.271   21.875  676.831  150.200   0.0000   0.0000  676.831  150.200  ?   ?   194.271   21.875      ?      ? 
1 1 1  -16    9   21 o  300.644   23.380  1627.64  248.441   0.0000   0.0000  1627.64  248.441  ?   ?   300.644   23.380      ?      ? 
1 1 1  -16    9   23 o  783.841   35.813 11400.11  992.169   0.0000   0.0000 11400.11  992.169  ?   ?   783.841   35.813      ?      ? 
1 1 1  -16    9   25 o  171.883   21.720  532.778  131.951   0.0000   0.0000  532.778  131.951  ?   ?   171.883   21.720      ?      ? 
1 1 1  -16    9   27 o  385.293   17.809  2662.84  242.518   0.0000   0.0000  2662.84  242.518  ?   ?   385.293   17.809      ?      ? 
1 1 1  -16    9   29 o  392.152   17.738  2761.23  245.848   0.0000   0.0000  2761.23  245.848  ?   ?   392.152   17.738      ?      ? 
1 1 1  -16    9   31 o  339.390   17.026  2067.67  204.236   0.0000   0.0000  2067.67  204.236  ?   ?   339.390   17.026      ?      ? 
1 1 1  -16    9   33 o  415.471   18.107  3112.16  265.899   0.0000   0.0000  3112.16  265.899  ?   ?   415.471   18.107      ?      ? 
1 1 1  -16    9   35 o  613.784   21.549  6872.43  467.484   0.0000   0.0000  6872.43  467.484  ?   ?   613.784   21.549      ?      ? 
1 1 1  -16    9   37 o  200.256   15.127  751.565   96.032  696.547  177.034  774.504  114.311  193.240   25.920  207.272   15.604 -14.03221 30.25450 
1 1 1  -16    9   39 o  406.412   14.631  2965.50  180.523  3207.27  369.711  2889.81  206.859  412.767   25.342  400.056   14.630 12.71103 29.26144 
1 1 1  -16    9   41 o  118.205   17.207  329.991   54.814  174.721  129.135  364.116   60.539   94.244   32.237  142.166   12.048 -47.92217 34.41446 
1 1 1  -16    9   43 o  348.926   17.313  2273.78  213.520   0.0000   0.0000  2273.78  213.520  ?   ?   348.926   17.313      ?      ? 
1 1 1  -16    9   45 o   72.673   16.850  103.725   42.440   0.0000   0.0000  103.725   42.440  ?   ?    72.673   16.850      ?      ? 
1 1 1  -16   10    2 o  351.066   16.381  2190.07  203.255   0.0000   0.0000  2190.07  203.255  ?   ?   351.066   16.381      ?      ? 
1 1 1  -16   10    4 o  246.735   16.634  1181.88  129.020  859.680  224.498  1340.78  157.656  218.741   29.038  274.729   16.236 -55.98747 33.26863 
1 1 1  -16   10    6 o  350.556   18.691  2431.39  203.354  1659.38  352.909  2815.14  248.813  303.214   32.930  397.899   17.692 -94.68521 37.38191 
1 1 1  -16   10    8 o  314.096   13.550  1722.84  142.620  1861.19  248.448  1654.84  174.177  322.986   21.764  305.206   16.146 17.77942 27.09912 
1 1 1  -16   10   10 o  158.770   18.831  475.863   99.480  327.684  143.562  612.733  137.975  132.215   31.221  185.325   21.064 -53.11008 37.66204 
1 1 1  -16   10   12 o   95.135   16.622  163.154   66.338   18.448   97.895  286.026   90.208   63.650   26.435  126.621   20.157 -62.97161 33.24310 
1 1 1  -16   10   14 o  261.165   16.404  1223.25  151.287  1178.67  215.491  1266.57  212.446  256.377   23.781  265.952   22.601 -9.575531 32.80753 
1 1 1  -16   10   16 o  293.110   23.211  1542.16  240.456   0.0000   0.0000  1542.16  240.456  ?   ?   293.110   23.211      ?      ? 
1 1 1  -16   10   18 o  389.065   25.014  2729.55  343.977   0.0000   0.0000  2729.55  343.977  ?   ?   389.065   25.014      ?      ? 
1 1 1  -16   10   20 o  133.164   21.397  318.531  100.706   0.0000   0.0000  318.531  100.706  ?   ?   133.164   21.397      ?      ? 
1 1 1  -16   10   22 o  416.554   25.685  3147.25  378.161   0.0000   0.0000  3147.25  378.161  ?   ?   416.554   25.685      ?      ? 
1 1 1  -16   10   24 o  316.325   23.737  1812.11  265.387   0.0000   0.0000  1812.11  265.387  ?   ?   316.325   23.737      ?      ? 
1 1 1  -16   10   28 o  365.767   24.749  2438.23  319.945   0.0000   0.0000  2438.23  319.945  ?   ?   365.767   24.749      ?      ? 
1 1 1  -16   10   30 o  599.621   30.601  6677.54  648.544   0.0000   0.0000  6677.54  648.544  ?   ?   599.621   30.601      ?      ? 
1 1 1  -16   10   32 o  238.901   22.679  1040.47  191.496   0.0000   0.0000  1040.47  191.496  ?   ?   238.901   22.679      ?      ? 
1 1 1  -16   10   34 o  140.298   21.768  359.201  107.943   0.0000   0.0000  359.201  107.943  ?   ?   140.298   21.768      ?      ? 
1 1 1  -16   10   36 o  198.939   15.080  712.304  106.030   0.0000   0.0000  712.304  106.030  ?   ?   198.939   15.080      ?      ? 
1 1 1  -16   10   38 o  417.263   14.656  3142.18  216.151   0.0000   0.0000  3142.18  216.151  ?   ?   417.263   14.656      ?      ? 
1 1 1  -16   10   40 o  163.121   12.763  480.034   73.581   0.0000   0.0000  480.034   73.581  ?   ?   163.121   12.763      ?      ? 
1 1 1  -16   10   42 o   86.457   12.285  135.668   37.540   0.0000   0.0000  135.668   37.540  ?   ?    86.457   12.285      ?      ? 
1 1 1  -16   10   44 o  173.802   12.433  554.204   76.376   0.0000   0.0000  554.204   76.376  ?   ?   173.802   12.433      ?      ? 
1 1 1  -16   11    1 o  137.807   16.994  382.262   71.932  263.664  126.407  439.059   87.477  118.501   30.117  157.113   15.753 -38.61272 33.98828 
1 1 1  -16   11    3 o   45.485   11.243   25.891   27.445 -67.5432   53.693   58.935   31.931   34.286   16.294   56.684   15.495 -22.39795 22.48506 
1 1 1  -16   11    5 o  335.112   16.931  2171.00  179.410  1619.58  311.609  2444.42  219.428  299.577   29.429  370.646   16.750 -71.06891 33.86226 
1 1 1  -16   11    7 o  156.705   13.276  440.119   68.405  431.128  120.800  444.363   82.993  155.268   22.012  158.142   14.848 -2.874298 26.55209 
1 1 1  -16   11    9 o  258.000   14.415  1214.86  121.774  1117.10  212.924  1262.38  148.449  249.574   24.138  266.426   15.764 -16.85269 28.83006 
1 1 1  -16   11   11 o  629.459   22.920  7226.64  507.092  6384.40  717.954  8065.06  716.320  591.667   34.332  667.250   30.374 -75.58295 45.83940 
1 1 1  -16   11   13 o  100.504   15.567  198.177   51.028  146.391   92.454  220.864   61.193   89.608   26.979  111.400   15.542 -21.79232 31.13496 
1 1 1  -16   11   15 o   80.294   13.697  117.589   35.981  123.153   66.153  115.251   42.878   81.536   22.308   79.053   15.897 2.483360 27.39315 
1 1 1  -16   11   17 o   93.702   24.086  164.204   80.206  164.204   80.206   0.0000   0.0000   93.702   24.086  ?   ?       ?      ? 
1 1 1  -16   11   19 o  457.235   26.773  3794.46  432.663  3794.46  432.663   0.0000   0.0000  457.235   26.773  ?   ?       ?      ? 
1 1 1  -16   11   21 f  175.264   22.874  554.599  141.695  554.599  141.695   0.0000   0.0000  175.264   22.874  ?   ?       ?      ? 
1 1 1  -16   11   35 o  273.974   23.266  1384.27  225.298   0.0000   0.0000  1384.27  225.298  ?   ?   273.974   23.266      ?      ? 
1 1 1  -16   11   37 o  344.899   24.749  2227.61  301.702   0.0000   0.0000  2227.61  301.702  ?   ?   344.899   24.749      ?      ? 
1 1 1  -16   11   39 o  143.311   21.893  384.636  110.895   0.0000   0.0000  384.636  110.895  ?   ?   143.311   21.893      ?      ? 
1 1 1  -16   11   41 o  161.045   15.897  478.286   90.485   0.0000   0.0000  478.286   90.485  ?   ?   161.045   15.897      ?      ? 
1 1 1  -16   12    2 o  429.111   15.967  3305.95  227.786  3300.29  395.498  3308.76  278.643  427.713   26.162  430.508   18.312 -2.795654 31.93429 
1 1 1  -16   12    4 o  166.972   14.472  517.600   77.928  450.660  137.717  549.129   94.514  158.272   24.619  175.672   15.222 -17.39961 28.94456 
1 1 1  -16   12    6 o  529.650   19.368  5299.11  331.815  4443.03  575.340  5725.77  406.169  493.533   32.983  565.767   20.312 -72.23383 38.73552 
1 1 1  -16   12    8 o  322.124   14.631  1868.44  156.051  1824.91  271.629  1889.89  190.653  318.571   24.124  325.678   16.563 -7.106995 29.26261 
1 1 1  -16   12   10 o  214.898   16.056  830.458  121.680  768.812  172.250  891.863  171.913  206.795   23.567  223.002   21.811 -16.20734 32.11105 
1 1 1  -16   12   12 o  522.065   19.872  4941.01  366.640  5038.07  519.166  4844.45  517.851  527.294   27.857  516.835   28.349 10.45923 39.74485 
1 1 1  -16   12   14 o  280.545   16.460  1416.86  163.197  1447.81  231.786  1386.44  229.817  283.617   23.122  277.473   23.434 6.144531 32.92094 
1 1 1  -16   12   18 o  312.562   17.053  1771.17  187.622  1592.60  265.554  1949.16  265.123  296.419   25.347  328.706   22.820 -32.28726 34.10622 
1 1 1  -16   12   20 o  229.442   16.187  951.449  131.240  945.929  187.155  956.788  184.086  228.729   23.150  230.154   22.630 -1.424774 32.37365 
1 1 1  -16   12   22 o  529.059   20.267  5134.55  378.959  5091.52  536.799  5177.31  535.064  526.733   28.834  531.386   28.489 -4.652771 40.53395 
1 1 1  -16   12   24 o  276.487   16.359  1386.74  159.602  1490.21  227.514  1286.48  223.951  286.854   22.440  266.121   23.810 20.73364 32.71799 
1 1 1  -16   12   26 o  320.604   17.023  1871.18  192.848  1929.10  274.320  1814.58  271.164  325.601   23.837  315.607   24.309 9.993805 34.04592 
1 1 1  -16   12   28 o  410.702   26.156  3093.66  379.685  3093.66  379.685   0.0000   0.0000  410.702   26.156  ?   ?       ?      ? 
1 1 1  -16   12   30 o  398.700   26.054  2927.83  367.147  2927.83  367.147   0.0000   0.0000  398.700   26.054  ?   ?       ?      ? 
1 1 1  -16   12   32 o  257.825   22.919  1217.53  208.855   0.0000   0.0000  1217.53  208.855  ?   ?   257.825   22.919      ?      ? 
1 1 1  -16   12   34 o  123.719   22.693  289.520   95.573   0.0000   0.0000  289.520   95.573  ?   ?   123.719   22.693      ?      ? 
1 1 1  -16   12   36 o  255.264   23.091  1211.20  208.327   0.0000   0.0000  1211.20  208.327  ?   ?   255.264   23.091      ?      ? 
1 1 1  -16   13    1 o  300.593   13.193  1576.82  133.207  1742.88  231.939  1495.09  162.718  311.612   21.059  289.573   15.899 22.03857 26.38652 
1 1 1  -16   13    3 o   66.326   13.403   80.684   31.512   74.593   56.984   83.368   37.821   65.597   21.394   67.056   16.150 -1.459488 26.80573 
1 1 1  -16   13    5 o  343.210   17.200  2124.74  208.454  2230.17  295.078  2019.70  294.520  351.879   23.726  334.542   24.908 17.33768 34.39977 
1 1 1  -16   13    7 o  379.720   17.767  2605.05  238.198  2471.24  337.094  2738.50  336.633  369.758   25.794  389.683   24.441 -19.92490 35.53436 
1 1 1  -16   13    9 o  285.119   16.586  1464.22  167.119  1493.85  236.934  1434.88  235.754  288.031   23.274  282.207   23.636 5.824341 33.17107 
1 1 1  -16   13   11 o  207.743   16.268  782.868  118.091  650.653  167.169  914.567  166.843  189.768   24.924  225.718   20.913 -35.95068 32.53551 
1 1 1  -16   13   13 o  325.355   17.066  1912.95  196.065  1821.21  277.420  2004.49  277.135  317.382   24.731  333.328   23.523 -15.94547 34.13141 
1 1 1  -16   13   15 o  198.454   22.600  710.194  158.519   0.0000   0.0000  710.194  158.519  ?   ?   198.454   22.600      ?      ? 
1 1 1  -16   13   17 o  326.527   17.095  1930.90  197.276  1958.93  279.763  1903.18  278.224  328.920   24.065  324.134   24.286 4.785706 34.18916 
1 1 1  -16   13   19 o  528.386   20.354  5120.78  379.841  4909.50  537.846  5331.01  536.510  517.076   29.430  539.696   28.126 -22.61957 40.70837 
1 1 1  -16   13   21 o  116.680   16.657  249.386   67.415  326.966   99.789  184.249   91.437  134.615   20.974   98.745   25.884 35.86984 33.31460 
1 1 1  -16   13   23 o  462.397   19.265  3921.03  314.742  3828.78  446.538  4012.12  443.702  456.733   27.662  468.061   26.821 -11.32819 38.52926 
1 1 1  -16   13   25 o  318.121   16.750  1842.68  187.696  2037.27  268.038  1655.44  262.921  335.010   22.637  301.233   24.695 33.77756 33.50011 
1 1 1  -16   13   27 o  238.525   22.899  1035.16  193.048   0.0000   0.0000  1035.16  193.048  ?   ?   238.525   22.899      ?      ? 
1 1 1  -16   13   29 o   46.175   16.222   33.922   32.795   0.0000   0.0000   33.922   32.795  ?   ?    46.175   16.222      ?      ? 
1 1 1  -16   13   31 o  239.562   17.026  1095.99  130.573  951.192  232.154  1162.99  157.918  225.349   29.147  253.775   17.606 -28.42578 34.05214 
1 1 1  -16   13   33 o  539.987   15.390  5127.38  280.166  6117.47  489.906  4646.22  341.525  574.770   24.116  505.204   19.126 69.56580 30.77965 
1 1 1  -16   13   35 o  485.497   28.629  4500.82  491.265  4500.82  491.265   0.0000   0.0000  485.497   28.629  ?   ?       ?      ? 
1 1 1  -16   13   37 o   66.581   25.656   63.189   85.305   63.189   85.305   0.0000   0.0000   66.581   25.656  ?   ?       ?      ? 
1 1 1  -16   13   41 o  323.820   25.647  2131.76  293.531   0.0000   0.0000  2131.76  293.531  ?   ?   323.820   25.647      ?      ? 
1 1 1  -16   14    2 o  352.300   17.357  2245.43  216.128  2232.53  305.229  2258.39  306.076  351.274   24.584  353.327   24.509 -2.052979 34.71459 
1 1 1  -16   14    4 o  254.733   22.972  1170.19  206.823  1170.19  206.823   0.0000   0.0000  254.733   22.972  ?   ?       ?      ? 
1 1 1  -16   14    6 o  181.118   15.882  591.029  101.671  589.052  143.937  592.998  143.631  180.806   22.524  181.430   22.398 -0.6239166 31.76492 
1 1 1  -16   14    8 o   56.814   13.636   45.055   35.809   88.410   51.211   3.5753   50.091   69.370   19.870   44.257   18.680 25.11308 27.27176 
1 1 1  -16   14   10 o   85.119   16.450  135.021   50.864  134.292   73.704  135.684   70.283   84.968   23.665   85.270   22.855 -0.3016052 32.90004 
1 1 1  -16   14   12 o  266.447   16.437  1282.68  154.785  1297.52  218.987  1267.86  218.810  268.019   23.117  264.875   23.373 3.144653 32.87367 
1 1 1  -16   14   14 o  316.302   23.947  1811.71  267.711   0.0000   0.0000  1811.71  267.711  ?   ?   316.302   23.947      ?      ? 
1 1 1  -16   14   16 o  201.253   16.264  733.991  115.467  689.110  164.270  777.822  162.337  194.989   23.836  207.518   22.133 -12.52820 32.52710 
1 1 1  -16   14   18 o  346.935   17.465  2189.08  214.083  2131.35  303.616  2246.16  301.910  342.225   25.101  351.645   24.291 -9.419220 34.93053 
1 1 1  -16   14   20 o  249.038   16.436  1124.93  144.616  1168.93  206.405  1082.49  202.681  253.888   23.002  244.189   23.484 9.699173 32.87186 
1 1 1  -16   14   22 o  281.121   16.697  1436.57  165.814  1502.12  236.439  1373.13  232.600  287.545   23.264  274.696   23.957 12.84897 33.39439 
1 1 1  -16   14   24 o  306.929   16.762  1715.96  181.378  1873.62  258.937  1564.08  254.145  321.109   22.815  292.750   24.562 28.35953 33.52345 
1 1 1  -16   14   26 o   46.002   13.214   19.519   24.399   15.916   68.831   20.036   26.094   53.609   22.207   38.394   14.326 15.21474 26.42720 
1 1 1  -16   14   28 o  106.088   18.247  212.861   67.450  240.350  102.086  191.563   89.856  112.027   26.243  100.149   25.359 11.87848 36.49345 
1 1 1  -16   14   30 o   49.921   14.480   15.628   37.583   30.490   69.845   9.5713   44.589   56.744   22.793   43.097   17.865 13.64655 28.95993 
1 1 1  -16   14   32 o  470.991   19.640  4174.99  326.901  4263.96  464.075  4087.35  460.562  476.180   27.574  465.803   27.975 10.37662 39.27975 
1 1 1  -16   14   34 o  412.095   26.844  3218.54  390.990  3218.54  390.990   0.0000   0.0000  412.095   26.844  ?   ?       ?      ? 
1 1 1  -16   14   36 o  220.550   13.347  870.581   96.978  976.718  175.577  823.986  116.333  228.364   21.753  212.737   15.472 15.62685 26.69404 
1 1 1  -16   14   38 o  251.604   13.139  1108.43  110.458  1427.06  198.986  966.519  132.797  274.531   20.507  228.678   16.430 45.85326 26.27756 
1 1 1  -16   14   40 o  170.558   14.796  553.747   81.104  856.621  125.108  334.194  106.518  213.541   16.576  127.576   24.514 85.96494 29.59209 
1 1 1  -16   15    1 o  190.276   16.245  657.746  108.527  739.647  153.003  574.814  153.963  202.545   21.373  178.008   24.471 24.53725 32.49055 
1 1 1  -16   15    3 o  233.941   16.241  995.667  132.574  811.732  186.450  1183.76  188.544  211.474   24.945  256.408   20.805 -44.93446 32.48219 
1 1 1  -16   15    5 o  335.358   17.213  2038.94  203.947  1977.20  288.591  2100.54  288.260  330.150   24.732  340.566   23.948 -10.41589 34.42585 
1 1 1  -16   15    7 o   50.242   13.165   34.435   31.235   24.992   43.223   44.755   45.188   46.898   18.209   53.587   19.019 -6.688370 26.33065 
1 1 1  -16   15    9 o  185.760   15.813  623.572  103.715  591.489  146.612  655.711  146.738  180.871   22.934  190.649   21.776 -9.778259 31.62568 
1 1 1  -16   15   11 o  144.241   16.714  392.024   79.905  535.171  114.160  254.539  111.879  172.672   18.706  115.811   27.705 56.86104 33.42828 
1 1 1  -16   15   13 o  471.586   18.859  4076.54  311.737  4677.56  442.003  3481.68  439.730  507.420   24.645  435.751   28.551 71.66934 37.71716 
1 1 1  -16   15   15 o  333.531   24.477  2022.04  288.551  2022.04  288.551   0.0000   0.0000  333.531   24.477  ?   ?       ?      ? 
1 1 1  -16   15   17 o  131.965   17.884  332.753   80.424  229.141  115.762  429.417  111.813  109.641   29.309  154.288   20.504 -44.64667 35.76889 
1 1 1  -16   15   19 o  181.378   16.407  598.939  104.834  548.293  149.026  648.555  147.501  173.532   24.297  189.223   22.055 -15.69099 32.81422 
1 1 1  -16   15   21 o  289.768   13.468  1516.15  128.841  1502.00  226.151  1522.95  156.770  287.767   22.235  291.769   15.202 -4.001831 26.93512 
1 1 1  -16   15   23 o  131.683   12.471  282.702   54.190  397.541  101.296  236.659   64.140  148.443   19.307  114.923   15.791 33.52070 24.94206 
1 1 1  -16   15   25 o  257.319   18.219  1318.79  146.101  973.425  257.098  1483.52  177.556  227.611   31.958  287.026   17.502 -59.41577 36.43718 
1 1 1  -16   15   27 o  415.692   26.472  3197.85  388.929  3197.85  388.929   0.0000   0.0000  415.692   26.472  ?   ?       ?      ? 
1 1 1  -16   15   29 o  341.647   24.851  2158.45  300.080   0.0000   0.0000  2158.45  300.080  ?   ?   341.647   24.851      ?      ? 
1 1 1  -16   15   31 o  158.743   18.966  493.708  100.582  362.687  146.416  610.793  138.410  135.220   31.261  182.267   21.485 -47.04683 37.93226 
1 1 1  -16   15   33 o  144.158   15.847  381.337   80.087  427.815  123.257  347.379  105.357  151.459   23.025  136.858   21.781 14.60155 31.69456 
1 1 1  -16   15   35 o   85.526   14.845  132.502   38.834  157.867   82.699  125.327   43.985   89.445   25.123   81.607   15.821 7.838837 29.68945 
1 1 1  -16   15   37 o   73.040   15.827   98.272   41.110  117.888   79.212   91.041   48.095   77.558   25.221   68.522   19.128 9.035522 31.65390 
1 1 1  -16   15   39 o  135.692   16.628  365.236   71.192  386.299  129.747  356.162   85.156  134.275   28.234  137.109   17.572 -2.833862 33.25612 
1 1 1  -16   16    2 o  250.809   17.044  1152.96  149.063  1354.02  209.782  947.927  211.848  273.747   21.682  227.870   26.304 45.87646 34.08796 
1 1 1  -16   16    4 o  383.345   25.264  2675.47  342.298  2675.47  342.298   0.0000   0.0000  383.345   25.264  ?   ?       ?      ? 
1 1 1  -16   16    6 o  123.724   16.830  286.057   70.895  268.694   98.504  304.716  102.114  119.661   24.124  127.786   23.474 -8.124596 33.65975 
1 1 1  -16   16    8 f  329.629   17.262  1979.65  200.246  2184.19  283.127  1774.92  283.255  347.196   23.072  312.063   25.681 35.13251 34.52313 
1 1 1  -16   16   10 o   93.717   16.882  165.243   56.140  179.101   80.361  152.033   78.460   97.483   23.581   89.951   24.164 7.531403 33.76330 
1 1 1  -16   16   12 o  294.451   16.773  1576.10  174.262  1680.15  246.439  1472.05  246.447  304.449   22.902  284.453   24.513 19.99615 33.54670 
1 1 1  -16   16   14 o   61.159   21.503   60.094   57.634   60.094   57.634   0.0000   0.0000   61.159   21.503  ?   ?       ?      ? 
1 1 1  -16   16   16 o  249.107   14.634  1124.21  120.728  1110.83  210.469  1130.78  147.387  247.038   24.105  251.175   16.602 -4.136932 29.26900 
1 1 1  -16   16   18 o  276.264   16.635  1476.14  146.121  1165.09  255.394  1627.51  178.162  251.294   28.755  301.234   16.734 -49.94012 33.26937 
1 1 1  -16   16   20 o  160.691   11.167  418.015   59.810  609.886  109.234  335.862   71.476  184.345   16.765  137.036   14.757 47.30818 22.33485 
1 1 1  -16   16   22 o  363.989   17.773  2431.70  228.449  2318.98  323.138  2544.33  323.013  355.228   25.737  372.750   24.518 -17.52191 35.54606 
1 1 1  -16   16   24 o  506.460   20.117  4770.21  360.101  4735.00  509.536  4805.35  508.983  504.480   28.577  508.439   28.323 -3.958862 40.23473 
1 1 1  -16   16   26 o  176.051   23.743  569.502  147.741  569.502  147.741   0.0000   0.0000  176.051   23.743  ?   ?       ?      ? 
1 1 1  -16   16   28 o  163.754   21.102  615.744  104.606  296.189  184.932  766.092  126.850  121.775   38.430  205.734   17.445 -83.95928 42.20444 
1 1 1  -16   16   30 o  163.453   15.952  521.171   79.810  447.079  144.120  553.942   95.848  151.780   27.893  175.126   15.485 -23.34618 31.90310 
1 1 1  -16   16   32 o  171.763   15.833  590.248   82.241  470.769  147.426  644.227   99.093  154.871   27.962  188.654   14.861 -33.78337 31.66579 
1 1 1  -16   16   34 o  204.083   14.489  775.056   97.115  788.676  172.510  768.737  117.504  203.300   24.008  204.866   16.228 -1.566177 28.97814 
1 1 1  -16   16   36 o  277.960   14.025  1429.71  129.572  1568.82  229.051  1364.25  157.130  284.694   22.763  271.225   16.391 13.46863 28.05052 
1 1 1  -16   16   38 o   76.356   14.787  110.857   37.323  132.671   73.823  103.367   43.259   80.083   24.107   72.628   17.130 7.455612 29.57306 
1 1 1  -16   17    1 o  286.022   23.538  1486.94  237.955  1486.94  237.955   0.0000   0.0000  286.022   23.538  ?   ?       ?      ? 
1 1 1  -16   17    3 o  135.373   18.113  354.482   83.048  480.767  115.616  219.864  119.369  163.277   20.034  107.469   30.183 55.80742 36.22654 
1 1 1  -16   17    5 o  175.345   16.184  557.540  100.245  549.887  139.161  565.794  144.527  174.150   22.609  176.540   23.162 -2.390060 32.36736 
1 1 1  -16   17    7 o  146.349   16.827  395.677   84.860  422.638  118.638  367.433  121.430  152.782   21.970  139.916   25.494 12.86543 33.65485 
1 1 1  -16   17    9 o  376.163   17.415  2586.76  229.843  2223.27  323.350  2957.99  326.771  348.592   26.244  403.733   22.900 -55.14053 34.83044 
1 1 1  -16   17   11 o  297.863   16.085  1629.33  157.984  1553.43  274.816  1666.80  193.076  291.145   26.706  304.581   17.935 -13.43564 32.16974 
1 1 1  -16   17   13 o  508.438   28.039  4757.91  503.881   0.0000   0.0000  4757.91  503.881  ?   ?   508.438   28.039      ?      ? 
1 1 1  -16   17   15 o   35.971   10.760   4.5237   22.283 -36.6989   47.721   16.018   25.199   35.509   16.372   36.433   13.968 -0.9241829 21.52075 
1 1 1  -16   17   17 o  244.462   16.597  1088.83  143.333  1127.52  202.816  1050.23  202.593  248.930   23.052  239.994   23.884 8.936462 33.19365 
1 1 1  -16   17   19 o   96.370   18.345  176.597   64.017  191.841   90.305  161.199   90.764  100.365   25.427   92.375   26.451 7.989220 36.69061 
1 1 1  -16   17   21 o  214.430   16.627  842.061  125.762  902.070  177.973  782.211  177.736  222.332   22.648  206.527   24.349 15.80487 33.25356 
1 1 1  -16   17   23 o  128.419   12.292  274.674   52.026  362.512   96.897  239.097   61.668  141.419   19.386  115.418   15.117 26.00041 24.58320 
1 1 1  -16   17   25 o  363.591   15.789  2450.34  189.126  2343.49  329.378  2502.90  231.002  355.118   26.242  372.065   17.566 -16.94717 31.57891 
1 1 1  -16   17   27 o  336.490   15.076  2061.33  168.652  2128.94  294.621  2028.38  205.686  338.467   24.628  334.512   17.397 3.954895 30.15272 
1 1 1  -16   17   29 o   75.643   17.482  104.091   54.256  124.140   77.078   84.402   76.385   80.932   24.693   70.354   24.754 10.57793 34.96442 
1 1 1  -16   17   31 o  126.262   12.686  275.762   52.976  340.765   97.006  248.137   63.238  135.630   20.236  116.894   15.306 18.73677 25.37256 
1 1 1  -16   17   33 o  113.194   16.993  263.149   62.508  213.290  111.355  286.088   75.531  101.852   29.337  124.536   17.160 -22.68407 33.98688 
1 1 1  -16   17   35 o   97.350   11.952  144.165   36.898  301.844   71.803   87.588   43.011  127.562   15.926   67.137   17.827 60.42520 23.90438 
1 1 1  -16   17   37 o   96.477   15.763  203.458   51.175  144.315   92.912  229.214   61.314   82.443   27.340  110.511   15.698 -28.06774 31.52563 
1 1 1  -16   18    2 f  146.733   12.770  383.867   66.227   0.0000   0.0000  383.867   66.227  ?   ?   146.733   12.770      ?      ? 
1 1 1  -16   18    4 o  141.327   14.781  365.585   71.075  448.534  103.428  291.365   97.834  157.854   18.538  124.800   23.028 33.05328 29.56267 
1 1 1  -16   18    6 o   68.351   13.292   75.293   33.707  134.959   56.395   42.131   42.044   84.912   19.237   51.790   18.350 33.12202 26.58491 
1 1 1  -16   18    8 o   49.914   12.511   39.190   28.798  -1.3649   52.653   56.500   34.400   44.155   18.912   55.673   16.384 -11.51856 25.02150 
1 1 1  -16   18   10 o  124.159   15.754  291.358   62.694  265.852  109.113  303.928   76.600  118.160   26.749  130.157   16.651 -11.99688 31.50859 
1 1 1  -16   18   12 o  326.527   24.506  1947.38  282.824   0.0000   0.0000  1947.38  282.824  ?   ?   326.527   24.506      ?      ? 
1 1 1  -16   18   14 o  237.479   16.295  1027.59  136.268  917.392  190.411  1143.28  195.098  224.111   24.039  250.846   22.005 -26.73465 32.58959 
1 1 1  -16   18   16 f  244.951   16.766  1102.73  143.747  930.321  202.971  1276.23  203.609  224.986   25.524  264.915   21.746 -39.92827 33.53163 
1 1 1  -16   18   18 o  101.476   15.425  203.742   50.665  156.678   91.788  224.365   60.760   91.120   26.748  111.832   15.372 -20.71152 30.85050 
1 1 1  -16   18   20 o  292.070   19.081  1777.01  168.766  1119.46  292.083  2106.55  206.777  242.275   34.110  341.865   17.113 -99.59035 38.16185 
1 1 1  -16   18   22 o  206.805   12.511  761.816   86.101  807.148  151.278  740.096  104.716  210.546   20.329  203.065   14.590 7.481232 25.02251 
1 1 1  -16   18   24 o  269.569   13.874  1282.96  125.718  1460.08  219.538  1196.54  153.352  281.902   22.034  257.235   16.867 24.66730 27.74866 
1 1 1  -16   18   26 o  373.961   17.733  2771.22  211.220  2187.02  365.681  3063.71  258.748  337.512   30.654  410.410   17.838 -72.89825 35.46658 
1 1 1  -16   18   28 o   82.076   14.751  143.983   48.200   25.594   87.088  196.263   57.872   60.133   24.951  104.019   15.741 -43.88648 29.50113 
1 1 1  -16   18   30 o  240.927   16.232  1094.23  135.523  838.605  186.191  1382.27  197.639  209.475   25.148  272.379   20.530 -62.90433 32.46365 
1 1 1  -16   18   32 o  204.161   13.552  797.598   90.846  729.369  156.576  832.223  111.541  195.099   22.706  213.223   14.801 -18.12389 27.10425 
1 1 1  -16   18   34 o  115.212   14.915  279.047   54.660  204.318   92.107  319.672   67.911   98.861   26.010  131.564   14.604 -32.70316 29.82930 
1 1 1  -16   18   36 o  133.845   15.423  365.799   65.390  340.490  113.870  378.251   79.873  126.112   26.394  141.579   15.962 -15.46714 30.84502 
1 1 1  -16   19    3 o  198.525   22.069  717.140  154.854   0.0000   0.0000  717.140  154.854  ?   ?   198.525   22.069      ?      ? 
1 1 1  -16   19    7 o   67.417   27.034   45.042   98.075   0.0000   0.0000   45.042   98.075  ?   ?    67.417   27.034      ?      ? 
1 1 1  -16   19    9 o  261.480   16.833  1241.31  155.003  1136.86  208.961  1369.09  231.125  249.374   23.708  273.587   23.902 -24.21286 33.66545 
1 1 1  -16   19   11 o  400.231   26.859  2958.14  379.952   0.0000   0.0000  2958.14  379.952  ?   ?   400.231   26.859      ?      ? 
1 1 1  -16   19   13 o  105.755   12.691  200.645   44.577  220.360   75.072  189.908   55.402  108.607   20.303  102.902   15.233 5.704781 25.38231 
1 1 1  -16   19   15 o  202.773   15.591  760.909  103.840  718.842  181.336  781.434  126.663  197.303   26.003  208.243   17.209 -10.94102 31.18224 
1 1 1  -16   19   17 o   99.401   14.835  188.955   47.012  168.493   87.125  197.360   55.839   93.949   25.559  104.853   15.067 -10.90325 29.66936 
1 1 1  -16   19   19 o  270.573   14.347  1368.84  127.358  1229.71  219.650  1439.30  156.318  258.311   24.058  282.835   15.637 -24.52420 28.69365 
1 1 1  -16   19   21 o   78.447   16.690  113.226   47.708  117.132   85.175  111.441   57.590   80.118   26.158   76.777   20.735 3.341164 33.37923 
1 1 1  -16   19   23 o  190.597   19.697  767.294  111.813  513.018  193.488  894.784  137.006  159.188   35.313  222.005   17.460 -62.81639 39.39415 
1 1 1  -16   19   25 o  259.494   16.807  1332.40  139.307  1052.76  240.154  1474.21  171.020  234.298   29.000  284.690   16.996 -50.39154 33.61375 
1 1 1  -16   19   27 o  234.747   15.444  1061.67  118.226  931.489  203.733  1127.77  145.168  220.858   26.099  248.636   16.519 -27.77835 30.88777 
1 1 1  -16   19   29 o   83.319   15.950  136.565   47.246  130.331   77.584  140.239   59.564   81.587   24.748   85.051   20.128 -3.463600 31.89953 
1 1 1  -16   19   31 o  201.315   13.381  777.413   89.115  716.373  151.725  809.560  110.108  192.785   22.267  209.844   14.846 -17.05949 26.76225 
1 1 1  -16   19   33 o   82.041   16.142  145.941   50.647   84.118   85.397  179.486   62.904   68.714   25.862   95.368   19.324 -26.65326 32.28360 
1 1 1  -16   20    2 f  181.044   15.768  572.459   98.552  445.753  125.745  774.231  158.680  156.082   22.794  206.006   21.793 -49.92354 31.53568 
1 1 1  -16   20    4 o  134.263   22.207  329.149  105.381  329.149  105.381   0.0000   0.0000  134.263   22.207  ?   ?       ?      ? 
1 1 1  -16   20    6 o   47.469   17.921   30.021   41.079   30.021   41.079   0.0000   0.0000   47.469   17.921  ?   ?       ?      ? 
1 1 1  -16   20    8 o  179.416   21.960  587.443  139.257   0.0000   0.0000  587.443  139.257  ?   ?   179.416   21.960      ?      ? 
1 1 1  -16   20   10 o  165.459   21.849  499.703  127.772   0.0000   0.0000  499.703  127.772  ?   ?   165.459   21.849      ?      ? 
1 1 1  -16   20   12 o  135.587   21.671  335.658  103.854   0.0000   0.0000  335.658  103.854  ?   ?   135.587   21.671      ?      ? 
1 1 1  -16   20   14 o   36.601   13.524   18.869   23.142   0.0000   0.0000   18.869   23.142  ?   ?    36.601   13.524      ?      ? 
1 1 1  -16   20   16 o   81.283   15.435  129.256   45.477   95.891   74.231  149.302   57.538   73.457   24.441   89.110   18.857 -15.65219 30.86971 
1 1 1  -16   20   18 o  172.274   15.365  597.197   81.379  421.065  136.186  695.020  101.492  147.977   27.035  196.572   14.608 -48.59410 30.72905 
1 1 1  -16   20   20 o   96.358   14.861  172.717   48.055  195.033   78.455  159.317   60.793  100.918   22.562   91.798   19.347 9.120621 29.72116 
1 1 1  -16   20   22 o  280.372   15.314  1476.66  141.738  1386.61  244.290  1522.35  174.024  271.416   25.465  289.327   17.018 -17.91071 30.62816 
1 1 1  -16   20   24 o  167.242   13.968  547.875   74.706  430.550  128.648  607.567   91.763  151.156   24.080  183.327   14.162 -32.17204 27.93592 
1 1 1  -16   20   26 o  147.374   14.921  403.241   73.901  418.908  126.274  395.079   91.140  148.261   24.097  146.487   17.603 1.774338 29.84191 
1 1 1  -16   20   28 o  194.815   14.733  740.919   95.349  640.354  157.557  799.032  119.771  181.511   24.559  208.119   16.282 -26.60828 29.46653 
1 1 1  -16   20   30 f  294.980   14.096  1733.31  134.972  1446.67  229.531  1884.82  166.872  270.493   24.008  319.467   14.779 -48.97336 28.19252 
1 1 1  -16   20   32 o   46.534   14.019   9.7687   28.018   5.0802   29.956   42.526   79.181   34.384   14.475   58.685   24.012 -24.30159 28.03740 
1 1 1  -16   21    1 o   72.759   17.768   63.046   42.556   47.372   46.061  154.444  111.225   54.307   19.210   91.212   29.897 -36.90539 35.53643 
1 1 1  -16   21    3 o  112.280   15.263  242.523   57.429  201.700   90.733  269.810   74.179  102.390   25.234  122.171   17.179 -19.78127 30.52670 
1 1 1  -16   21    5 o  262.947   12.575  1293.01  110.456  1108.53  181.367  1401.78  139.262  246.380   20.827  279.514   14.096 -33.13307 25.14924 
1 1 1  -16   21    7 o  240.763   14.029  1074.68  113.746  986.616  187.590  1125.88  143.041  231.636   22.913  249.891   16.195 -18.25504 28.05889 
1 1 1  -16   21    9 f  212.861   14.428  872.149  100.999  676.918  164.908  989.341  127.766  191.295   24.390  234.428   15.420 -43.13239 28.85597 
1 1 1  -16   21   11 o   71.884   20.741   96.750   55.615   0.0000   0.0000   96.750   55.615  ?   ?    71.884   20.741      ?      ? 
1 1 1  -16   21   13 o   80.395   15.881  122.964   46.835  116.168   69.503  128.616   63.388   78.573   23.332   82.218   21.551 -3.645248 31.76196 
1 1 1  -16   21   15 o  206.355   22.369  785.984  163.149   0.0000   0.0000  785.984  163.149  ?   ?   206.355   22.369      ?      ? 
1 1 1  -16   21   17 o  411.696   26.240  3191.43  381.827   0.0000   0.0000  3191.43  381.827  ?   ?   411.696   26.240      ?      ? 
1 1 1  -16   21   19 o  279.315   16.966  1419.87  167.488   0.0000   0.0000  1419.87  167.488  ?   ?   279.315   16.966      ?      ? 
1 1 1  -16   21   21 o   41.636   14.596   28.045   26.546   0.0000   0.0000   28.045   26.546  ?   ?    41.636   14.596      ?      ? 
1 1 1  -16   21   23 o  224.082   13.101  924.496   99.552  940.261  166.191  915.674  124.326  224.187   20.974  223.977   15.705 0.2097778 26.20207 
1 1 1  -16   21   25 o  114.667   13.546  255.570   51.005  224.606   82.554  274.688   64.867  106.819   22.573  122.515   14.980 -15.69578 27.09123 
1 1 1  -16   21   27 o   83.067   12.230  124.091   35.547  199.240   56.318   74.324   45.830  103.844   15.344   62.290   19.048 41.55404 24.45944 
1 1 1  -16   21   29 o  141.184   13.892  401.113   63.941  323.679  100.371  454.004   82.952  126.159   23.370  156.208   15.025 -30.04877 27.78326 
1 1 1  -16   22    2 o   68.366   17.521   79.291   51.606   98.743   57.281  -4.5353  118.912   72.433   21.093   64.299   27.982 8.134392 35.04134 
1 1 1  -16   22    4 o  110.108   13.834  235.660   50.445  178.984   78.003  276.405   66.138   96.451   23.171  123.764   15.119 -27.31277 27.66753 
1 1 1  -16   22    6 o  152.826   14.210  434.872   74.289  397.336  117.890  459.595   95.675  146.491   22.769  159.161   17.008 -12.66998 28.41989 
1 1 1  -16   22    8 o  194.062   14.729  698.889   96.895  667.325  159.182  717.468  122.127  189.407   23.778  198.717   17.388 -9.310074 29.45767 
1 1 1  -16   22   10 o  175.619   22.070  570.320  136.991   0.0000   0.0000  570.320  136.991  ?   ?   175.619   22.070      ?      ? 
1 1 1  -16   22   12 o  301.156   14.371  1644.89  146.592  1750.96  248.142  1588.03  181.685  306.933   22.874  295.379   17.403 11.55405 28.74139 
1 1 1  -16   22   14 o  162.881   13.764  484.252   76.965  500.629  125.357  474.343   97.506  164.368   21.578  161.393   17.093 2.975540 27.52795 
1 1 1  -16   22   16 o  229.063   12.984  947.061  102.256  1027.89  167.693  899.216  129.019  235.887   20.114  222.240   16.425 13.64722 25.96817 
1 1 1  -16   22   18 o  136.322   15.702  348.337   75.624  347.669  108.382  348.972  105.570  136.078   22.535  136.566   21.871 -0.4876709 31.40337 
1 1 1  -16   22   20 o   54.287   12.831   49.812   29.028   67.675   44.379   36.454   38.376   60.360   18.792   48.214   17.477 12.14584 25.66288 
1 1 1  -16   22   22 o  133.344   22.089  338.837  104.102   0.0000   0.0000  338.837  104.102  ?   ?   133.344   22.089      ?      ? 
1 1 1  -16   22   24 f  186.369   22.779  674.456  150.046   0.0000   0.0000  674.456  150.046  ?   ?   186.369   22.779      ?      ? 
1 1 1  -16   22   26 o  149.655   15.848  418.218   83.827   0.0000   0.0000  418.218   83.827  ?   ?   149.655   15.848      ?      ? 
1 1 1  -16   22   28 o  109.930   20.951  243.858   78.433   0.0000   0.0000  243.858   78.433  ?   ?   109.930   20.951      ?      ? 
1 1 1  -16   23    1 f   78.724   13.992  122.167   39.885   82.254   59.945  153.873   53.428   67.115   21.946   90.334   17.365 -23.21949 27.98489 
1 1 1  -16   23    3 o  124.573   16.669  239.445   65.671  167.882   75.579  459.972  132.674   92.911   23.111  156.234   24.026 -63.32299 33.33711 
1 1 1  -16   23    5 o   44.115   11.750   26.208   25.352   13.474   38.189   36.243   33.900   41.158   16.739   47.071   16.495 -5.913189 23.50066 
1 1 1  -16   23    7 o  329.313   14.295  2031.31  157.878  1917.04  264.259  2094.73  196.876  319.524   23.399  339.102   16.426 -19.57730 28.58948 
1 1 1  -16   23    9 o  167.332   15.923  509.441   94.172   0.0000   0.0000  509.441   94.172  ?   ?   167.332   15.923      ?      ? 
1 1 1  -16   23   11 f  182.945   15.706  644.194   95.691  565.479  158.480  689.358  120.044  171.950   26.077  193.941   17.513 -21.99083 31.41157 
1 1 1  -16   23   13 f  133.834   14.730  330.445   68.095  351.545  109.714  317.223   86.847  136.602   22.724  131.066   18.747 5.536743 29.45913 
1 1 1  -16   23   15 o   92.598   15.344  167.607   48.700  162.963   76.729  170.740   63.021   90.906   23.654   94.289   19.552 -3.382576 30.68854 
1 1 1  -16   23   17 o  145.066   14.165  393.791   71.232  398.943  112.268  390.319   92.158  145.044   21.900  145.089   17.971 -0.4576111E-01 28.32945 
1 1 1  -16   23   19 o   40.894   11.174   21.035   23.158   10.054   35.865   28.887   30.327   38.885   16.063   42.904   15.539 -4.019928 22.34892 
1 1 1  -16   23   21 o   57.689   13.662   61.226   33.015   50.437   49.782   69.697   44.111   54.902   19.905   60.476   18.719 -5.573544 27.32459 
1 1 1  -16   23   23 f  109.987   15.165  252.596   55.906  179.378   86.565  304.987   73.225   92.380   25.618  127.594   16.237 -35.21465 30.33024 
1 1 1  -16   23   25 o   95.315   16.946  191.738   57.266  170.474   82.266  211.728   79.764   89.464   25.032  101.166   22.847 -11.70158 33.89128 
1 1 1  -16   24    2 o   62.713   13.305   72.123   32.958  101.397   47.825   45.647   45.483   72.503   18.578   52.923   19.050 19.58058 26.60902 
1 1 1  -16   24    4 o  172.423   17.739  547.412  103.500  484.849  126.526  673.944  179.936  159.749   22.409  185.097   27.504 -25.34805 35.47736 
1 1 1  -16   24    6 o   56.715   13.133   57.633   30.311   65.957   45.013   50.727   40.999   59.710   18.973   53.719   18.165 5.990524 26.26656 
1 1 1  -16   24    8 o  391.310   17.359  2829.34  240.083   0.0000   0.0000  2829.34  240.083  ?   ?   391.310   17.359      ?      ? 
1 1 1  -16   24   10 o  268.030   14.709  1377.10  131.031  1282.53  221.793  1427.80  162.401  257.695   24.351  278.366   16.506 -20.67087 29.41846 
1 1 1  -16   24   12 o   99.702   13.180  193.493   44.118  165.617   68.904  212.860   57.434   91.664   21.619  107.740   15.082 -16.07590 26.36024 
1 1 1  -16   24   14 o   95.321   15.882  180.894   52.739  201.719   75.458  161.006   73.741  101.024   21.774   89.618   23.125 11.40561 31.76335 
1 1 1  -16   24   16 o  122.004   15.419  292.565   63.705  281.914   98.910  300.116   83.278  117.914   24.532  126.094   18.686 -8.179939 30.83791 
1 1 1  -16   24   18 o   45.599   11.987   31.997   25.634   27.830   39.936   34.917   33.430   45.360   17.533   45.838   16.349 -0.4780540 23.97321 
1 1 1  -16   24   20 o   51.009   12.608   45.960   28.000   41.902   41.821   49.258   37.696   50.125   18.233   51.892   17.419 -1.767391 25.21637 
1 1 1  -16   25    1 o  108.974   16.583  242.505   61.364  230.030   94.565  251.580   80.651  105.158   25.668  112.790   21.004 -7.632454 33.16626 
1 1 1  -16   25    3 o   79.224   14.350  122.710   40.362  147.021   60.732  103.478   54.018   86.100   20.290   72.349   20.299 13.75101 28.70013 
1 1 1  -16   25    5 o   77.606   14.197  119.619   39.177  113.915   58.345  124.302   52.867   75.686   21.047   79.526   19.058 -3.840187 28.39316 
1 1 1  -16   25    7 o  146.135   11.733  394.877   59.851  422.039   93.344  375.915   77.993  149.866   17.622  142.404   15.496 7.461548 23.46622 
1 1 1  -16   25    9 o   81.234   15.798  133.303   47.133  113.734   67.209  152.242   66.118   75.383   23.069   87.084   21.589 -11.70090 31.59529 
1 1 1  -16   25   11 o  139.122   13.619  363.837   65.516  397.673  105.722  342.741   83.477  143.394   20.860  134.849   17.515 8.544800 27.23782 
1 1 1  -16   25   13 f  194.009   12.790  730.792   83.122  655.406  136.728  774.989  104.689  183.461   21.086  204.557   14.480 -21.09547 25.57899 
1 1 1  -16   25   15 o  148.971   14.238  433.752   72.615  417.949  116.266  443.858   92.980  144.906   22.701  153.036   17.190 -8.129700 28.47519 
1 1 1  -16   25   17 o   41.370   11.124   24.680   22.461   22.800   33.213   26.264   30.490   41.224   15.974   41.515   15.487 -0.2914772 22.24863 
1 1 1  -16   26    4 o   48.102   12.046   39.537   25.714   47.933   37.471   32.064   35.352   51.178   17.366   45.026   16.699 6.151619 24.09235 
1 1 1  -16   26    6 o   64.352   13.527   81.972   32.927   85.489   48.809   79.036   44.605   65.500   19.576   63.205   18.673 2.295872 27.05323 
1 1 1  -16   26    8 o   78.020   15.474  125.413   44.418  131.053   63.195  119.905   62.445   79.730   21.800   76.309   21.966 3.420898 30.94705 
1 1 1  -15    0    1 o  122.152   11.668  277.991   67.579  277.991   67.579  277.991   67.579  122.152   16.500  122.152   16.500 -0.000000 0.000000 
1 1 1  -15    0    3 o   91.020   12.860  162.903   51.920  162.903   51.920  162.903   51.920   91.020   18.187   91.020   18.187 -0.000000 0.000000 
1 1 1  -15    0    5 o  762.240   16.909 10317.77  642.784 10317.77  642.784 10317.77  642.784  762.240   23.912  762.240   23.912 -0.000000 0.000000 
1 1 1  -15    0    7 o  367.814   12.195  2408.95  223.077  2408.95  223.077  2408.95  223.077  367.814   17.246  367.814   17.246 -0.000000 0.000000 
1 1 1  -15    0    9 o  417.956   12.749  3107.76  265.219  3107.76  265.219  3107.76  265.219  417.956   18.030  417.956   18.030 -0.000000 0.000000 
1 1 1  -15    0   11 o  995.275   20.456 17602.99  1015.72 17602.99  1015.72 17602.99  1015.72  995.275   28.930  995.275   28.930 -0.000000 0.000000 
1 1 1  -15    0   13 o  219.242   11.343  863.847  122.773  863.847  122.773  863.847  122.773  219.242   16.041  219.242   16.041 -0.000000 0.000000 
1 1 1  -15    0   15 o  281.052   11.597  1411.70  161.649  1411.70  161.649  1411.70  161.649  281.052   16.401  281.052   16.401 -0.000000 0.000000 
1 1 1  -15    0   17 o  1029.59   21.077 18860.64  1082.64 18860.64  1082.64 18860.64  1082.64  1029.59   29.807  1029.59   29.807 -0.000000 0.000000 
1 1 1  -15    0   19 o  1441.93   27.751 37139.57  1996.77 37139.57  1996.77 37139.57  1996.77  1441.93   39.246  1441.93   39.246 -0.000000 0.000000 
1 1 1  -15    0   21 o  109.958   18.674  248.008   89.013  248.008   89.013  248.008   89.013  109.958   26.409  109.958   26.409 -0.000000 0.000000 
1 1 1  -15    0   23 o  359.996   12.301  2312.66  220.166  2312.66  220.166  2312.66  220.166  359.996   17.396  359.996   17.396 -0.000000 0.000000 
1 1 1  -15    0   25 o  595.736   14.831  6329.67  440.391  6329.67  440.391  6329.67  440.391  595.736   20.974  595.736   20.974 -0.000000 0.000000 
1 1 1  -15    0   27 f   61.913   14.457   87.045   39.752   87.045   39.752   87.045   39.752   61.913   20.445   61.913   20.445 -0.000000 0.000000 
1 1 1  -15    0   29 o  511.146   13.853  4670.68  352.747  4670.68  352.747  4670.68  352.747  511.146   19.591  511.146   19.591 -0.000000 0.000000 
1 1 1  -15    0   31 o  376.012   17.806  2565.92  331.216  2565.92  331.216  2565.92  331.216  376.012   25.182  376.012   25.182 -0.000000 0.000000 
1 1 1  -15    0   33 o  563.607   20.784  5775.80  581.873  5775.80  581.873  5775.80  581.873  563.607   29.393  563.607   29.393 -0.000000 0.000000 
1 1 1  -15    0   35 o  673.128   22.925  8282.94  767.264  8282.94  767.264  8282.94  767.264  673.128   32.421  673.128   32.421 -0.000000 0.000000 
1 1 1  -15    0   37 o  249.631   16.674  1148.07  203.788  1148.07  203.788  1148.07  203.788  249.631   23.581  249.631   23.581 -0.000000 0.000000 
1 1 1  -15    1    2 o  833.575   17.965 12334.38  529.286 12261.92  748.537 12406.83  748.511  831.116   25.482  836.035   25.331 -4.918762 35.93034 
1 1 1  -15    1    4 o  1199.53   23.682 25623.79  1003.95 26029.94  1419.83 25217.69  1419.76  1209.11   33.224  1189.95   33.757 19.15808 47.36443 
1 1 1  -15    1    6 o  1190.60   23.478 25239.77  987.918 25525.51  1397.16 24954.06  1397.10  1197.39   33.013  1183.81   33.391 13.57947 46.95536 
1 1 1  -15    1    8 o  733.281   16.537  9538.40  428.593  9618.96  606.150  9457.84  606.095  736.390   23.289  730.173   23.485 6.216431 33.07471 
1 1 1  -15    1   10 o  481.601   13.380  4109.56  227.732  4174.88  322.055  4044.24  322.070  485.439   18.770  477.763   19.073 7.675201 26.76018 
1 1 1  -15    1   12 o  894.859   23.278 14291.86  693.156 14197.43  1200.79 14339.05  848.867  891.390   38.113  898.328   26.735 -6.937683 46.55544 
1 1 1  -15    1   14 o  498.624   13.530  4407.10  238.423  4486.00  337.206  4328.23  337.156  503.100   18.964  494.148   19.304 8.951813 27.06053 
1 1 1  -15    1   16 o  351.977   12.014  2195.21  149.461  2210.31  211.412  2180.11  211.327  353.191   16.936  350.764   17.046 2.426758 24.02865 
1 1 1  -15    1   18 o  169.977   10.969  511.873   65.887  522.701   93.282  501.093   93.075  171.775   15.364  168.179   15.658 3.595810 21.93726 
1 1 1  -15    1   20 o  725.923   20.482  9463.83  493.707  9569.52  604.670  9252.45  855.112  733.367   23.328  718.479   33.674 14.88824 40.96460 
1 1 1  -15    1   22 o  1006.83   28.935 18157.48  1029.70 18157.48  1029.70   0.0000   0.0000  1006.83   28.935  ?   ?       ?      ? 
1 1 1  -15    1   24 o  228.211   11.110  925.386   89.611  925.184  126.846  925.586  126.611  228.185   15.728  228.237   15.695 -0.5220032E-01 22.21946 
1 1 1  -15    1   26 o  752.816   16.884 10181.34  449.179 10392.06  635.303  9970.72  635.167  760.732   23.628  744.900   24.125 15.83234 33.76846 
1 1 1  -15    1   28 o  170.687   15.948  527.472   95.274  445.749  135.102  608.322  134.378  157.205   24.315  184.169   20.644 -26.96399 31.89654 
1 1 1  -15    1   30 o  632.339   19.057  7282.60  400.572  7255.15  694.172  7296.31  490.471  628.293   31.260  636.386   21.806 -8.093567 38.11384 
1 1 1  -15    1   32 o  406.058   18.110  3002.74  259.873  2945.70  367.632  3059.70  367.401  402.082   25.869  410.034   25.351 -7.951050 36.21999 
1 1 1  -15    1   34 o  465.194   27.016  3966.58  444.203  3966.58  444.203   0.0000   0.0000  465.194   27.016  ?   ?       ?      ? 
1 1 1  -15    1   36 o  359.098   24.753  2356.01  314.164  2356.01  314.164   0.0000   0.0000  359.098   24.753  ?   ?       ?      ? 
1 1 1  -15    1   38 o  433.416   26.476  3469.19  405.578  3469.19  405.578   0.0000   0.0000  433.416   26.476  ?   ?       ?      ? 
1 1 1  -15    1   42 o  524.621   29.374  5259.06  544.671  5259.06  544.671   0.0000   0.0000  524.621   29.374  ?   ?       ?      ? 
1 1 1  -15    1   44 o  207.503   23.114  811.698  169.517  811.698  169.517   0.0000   0.0000  207.503   23.114  ?   ?       ?      ? 
1 1 1  -15    1   48 o  230.371   24.500  1083.03  199.488   0.0000   0.0000  1083.03  199.488  ?   ?   230.371   24.500      ?      ? 
1 1 1  -15    2    1 o  898.425   18.952 14340.51  601.601 14782.13  850.845 13899.00  850.739  912.330   26.386  884.520   27.213 27.81061 37.90458 
1 1 1  -15    2    3 o  1356.73   26.063 32837.95  1249.68 33310.89  1767.36 32365.04  1767.26  1366.59   36.590  1346.86   37.124 19.72375 52.12542 
1 1 1  -15    2    5 o  308.849   11.638  1689.24  126.996  1743.67  179.686  1634.93  179.514  313.830   16.199  303.869   16.714 9.960480 23.27648 
1 1 1  -15    2    7 o  1467.86   28.046 38500.24  1454.61 39599.80  2057.20 37400.80  2057.07  1489.06   39.088  1446.67   40.231 42.38477 56.09280 
1 1 1  -15    2    9 o  1062.66   21.482 20094.13  806.402 20868.54  1140.49 19319.91  1140.36  1083.28   29.787  1042.05   30.962 41.23108 42.96457 
1 1 1  -15    2   11 o  1189.40   23.452 25209.35  985.747 25715.88  1394.11 24702.91  1394.00  1201.45   32.830  1177.35   33.499 24.09521 46.90445 
1 1 1  -15    2   13 o  789.451   17.358 11069.84  484.109 11450.48  684.701 10689.34  684.567  803.090   24.122  775.812   24.965 27.27765 34.71531 
1 1 1  -15    2   15 o  850.661   18.297 12864.05  550.049 13114.48  777.938 12613.68  777.835  858.989   25.623  842.332   26.127 16.65613 36.59455 
1 1 1  -15    2   17 o  1048.51   21.369 19606.15  791.699 20112.69  1119.68 19099.70  1119.58  1062.18   29.825  1034.84   30.610 27.33386 42.73732 
1 1 1  -15    2   19 o  319.612   11.737  1811.09  132.584  1789.67  187.494  1832.50  187.509  317.716   16.697  321.508   16.501 -3.791290 23.47466 
1 1 1  -15    2   21 o  549.158   20.077  5392.49  389.636  5295.11  550.828  5490.01  551.230  544.139   28.641  554.176   28.143 -10.03693 40.15352 
1 1 1  -15    2   23 o  258.121   16.088  1189.60  146.729  1160.67  207.841  1218.35  207.174  254.955   23.065  261.286   22.434 -6.330811 32.17516 
1 1 1  -15    2   25 o  704.896   19.858  8900.96  467.392  9149.19  809.989  8777.05  572.281  709.927   32.281  699.864   23.135 10.06317 39.71518 
1 1 1  -15    2   27 f  665.910   19.203  7962.49  427.117  8216.70  740.212  7835.60  522.961  671.321   31.196  660.499   22.401 10.82214 38.40635 
1 1 1  -15    2   29 o  544.952   16.744  5238.36  306.846  5759.76  532.044  4978.50  375.607  563.232   26.726  526.671   20.178 36.56158 33.48796 
1 1 1  -15    2   31 o  123.456   23.039  283.980   96.832  283.980   96.832   0.0000   0.0000  123.456   23.039  ?   ?       ?      ? 
1 1 1  -15    2   33 o  611.025   30.847  6905.85  666.188  6905.85  666.188   0.0000   0.0000  611.025   30.847  ?   ?       ?      ? 
1 1 1  -15    2   35 o  172.769   22.141  541.269  135.203  541.269  135.203   0.0000   0.0000  172.769   22.141  ?   ?       ?      ? 
1 1 1  -15    2   37 o  542.361   29.183  5467.38  559.415  5467.38  559.415   0.0000   0.0000  542.361   29.183  ?   ?       ?      ? 
1 1 1  -15    2   39 o  244.652   23.069  1097.03  199.480  1097.03  199.480   0.0000   0.0000  244.652   23.069  ?   ?       ?      ? 
1 1 1  -15    2   41 o  483.911   19.821  4415.10  338.998  4453.00  479.947  4377.36  478.887  486.087   27.936  481.736   28.126 4.351135 39.64164 
1 1 1  -15    2   43 o  183.401   16.345  630.525  105.554  574.450  149.893  685.685  148.665  174.778   24.265  192.025   21.904 -17.24722 32.68914 
1 1 1  -15    2   45 o  257.993   17.222  1286.43  156.013  1133.62  221.023  1438.18  220.249  241.253   25.921  274.733   22.682 -33.47989 34.44347 
1 1 1  -15    2   47 o  107.510   17.063  237.802   63.847  299.011   91.956  180.828   88.718  122.285   22.089   92.735   26.012 29.54916 34.12558 
1 1 1  -15    3    2 o  674.356   19.387  8121.51  434.431  7957.46  752.255  8203.60  532.137  668.586   31.834  680.126   22.137 -11.54016 38.77402 
1 1 1  -15    3    4 o  848.679   25.785 12788.34  773.463   0.0000   0.0000 12788.34  773.463  ?   ?   848.679   25.785      ?      ? 
1 1 1  -15    3    6 o  936.402   19.572 15582.13  647.593 15976.71  915.898 15187.66  915.772  948.322   27.326  924.482   28.027 23.84009 39.14305 
1 1 1  -15    3    8 o  709.440   16.286  8928.55  408.363  8960.42  577.564  8896.68  577.461  710.711   22.993  708.170   23.071 2.541382 32.57183 
1 1 1  -15    3   10 o  432.567   12.664  3315.92  193.506  3446.29  273.760  3185.74  273.558  441.088   17.560  424.046   18.252 17.04150 25.32785 
1 1 1  -15    3   12 o  656.762   15.491  7652.27  359.555  7792.87  508.575  7511.76  508.401  662.817   21.709  650.707   22.105 12.10925 30.98285 
1 1 1  -15    3   14 o  584.393   14.569  6058.17  300.843  6215.52  425.548  5900.94  425.366  592.008   20.338  576.779   20.866 15.22900 29.13756 
1 1 1  -15    3   16 o  405.759   12.613  2919.04  180.835  3003.11  255.852  2835.12  255.628  411.615   17.586  399.903   18.086 11.71204 25.22638 
1 1 1  -15    3   18 o  743.419   16.588  9828.50  435.701 10136.82  616.267  9520.38  616.080  755.149   23.090  731.690   23.823 23.45905 33.17602 
1 1 1  -15    3   20 o  345.207   16.850  2114.09  205.591   0.0000   0.0000  2114.09  205.591  ?   ?   345.207   16.850      ?      ? 
1 1 1  -15    3   22 o  625.637   21.561  7031.32  476.762  7061.51  674.589  7001.20  673.897  626.995   30.441  624.278   30.542 2.716736 43.12125 
1 1 1  -15    3   24 o  822.910   22.017 12187.62  604.276 12415.85  1047.09 12073.65  739.925  825.609   35.883  820.211   25.524 5.397461 44.03456 
1 1 1  -15    3   26 o  425.233   18.071  3260.95  271.325  3430.62  384.121  3092.00  383.304  436.489   24.899  413.977   26.197 22.51184 36.14153 
1 1 1  -15    3   28 o  552.207   20.361  5550.99  397.320  5678.52  562.360  5423.87  561.433  558.717   28.478  545.697   29.109 13.01990 40.72219 
1 1 1  -15    3   30 o  380.231   17.455  2622.04  234.309  2768.39  331.944  2476.72  330.785  391.066   24.016  369.396   25.336 21.66946 34.90919 
1 1 1  -15    3   32 o  548.178   19.878  5526.69  382.840  6208.50  542.187  4848.74  540.650  583.240   26.302  513.117   29.811 70.12323 39.75527 
1 1 1  -15    3   34 o  605.943   30.776  6806.19  659.115  6806.19  659.115   0.0000   0.0000  605.943   30.776  ?   ?       ?      ? 
1 1 1  -15    3   36 o  208.502   13.492  770.341   94.058  826.364  164.201  742.980  114.750  213.414   21.769  203.590   15.947 9.824234 26.98477 
1 1 1  -15    3   38 o  469.118   19.370  4081.31  321.147  4039.22  454.670  4123.23  453.672  466.559   27.572  471.677   27.213 -5.117706 38.73979 
1 1 1  -15    3   40 o  487.853   19.913  4466.21  343.204  4323.71  485.803  4608.19  484.925  479.577   28.660  496.129   27.654 -16.55270 39.82668 
1 1 1  -15    3   42 o  543.336   21.242  5677.16  407.813  5538.57  577.025  5815.47  576.445  536.103   30.453  550.570   29.623 -14.46674 42.48382 
1 1 1  -15    3   44 f  289.627   17.063  1597.04  174.127  1740.62  247.117  1455.45  245.399  303.479   23.038  275.775   25.177 27.70425 34.12670 
1 1 1  -15    3   46 o  145.796   17.215  423.662   86.067  371.688  121.885  475.352  121.551  134.623   26.559  156.970   21.909 -22.34726 34.42974 
1 1 1  -15    3   48 o  273.542   25.358  1550.01  245.165   0.0000   0.0000  1550.01  245.165  ?   ?   273.542   25.358      ?      ? 
1 1 1  -15    4    1 o  774.084   16.998 10637.75  464.994 10849.70  657.665 10425.88  657.538  781.830   23.800  766.339   24.276 15.49011 33.99644 
1 1 1  -15    4    3 o  825.266   17.972 12095.52  524.130 12329.50  741.292 11861.62  741.171  833.286   25.170  817.246   25.659 16.03973 35.94313 
1 1 1  -15    4    5 o  886.575   18.811 13964.92  589.370 14232.09  833.581 13697.86  833.409  895.099   26.349  878.052   26.855 17.04779 37.62197 
1 1 1  -15    4    7 o  562.232   14.197  5603.21  282.128  5601.67  399.030  5604.74  398.948  562.155   20.083  562.310   20.073 -0.1547852 28.39486 
1 1 1  -15    4    9 o  280.891   11.547  1397.42  114.608  1437.73  162.232  1357.26  161.929  284.943   16.109  276.839   16.549 8.104126 23.09470 
1 1 1  -15    4   11 o  787.043   16.971 10998.19  472.029 11201.30  667.650 10795.21  667.450  794.342   23.781  779.745   24.218 14.59717 33.94179 
1 1 1  -15    4   13 o  294.838   11.651  1539.94  121.397  1573.15  171.851  1506.85  171.512  298.019   16.315  291.658   16.638 6.360565 23.30248 
1 1 1  -15    4   15 o  342.208   12.042  2076.84  145.477  2196.79  205.899  1957.27  205.572  352.109   16.545  332.307   17.503 19.80124 24.08461 
1 1 1  -15    4   17 o  539.166   17.271  5177.35  309.820  5149.33  537.184  5191.31  379.253  537.486   28.277  540.847   19.840 -3.361084 34.54288 
1 1 1  -15    4   19 o  870.789   37.476 13646.60  1153.41   0.0000   0.0000 13646.60  1153.41  ?   ?   870.789   37.476      ?      ? 
1 1 1  -15    4   21 o  505.488   17.085  4608.11  285.862  4417.32  495.577  4703.24  349.950  496.675   28.231  514.302   19.252 -17.62671 34.17001 
1 1 1  -15    4   23 o  333.314   16.866  1988.32  198.669  2023.78  281.361  1953.06  280.563  336.309   23.670  330.319   24.031 5.990814 33.73112 
1 1 1  -15    4   25 o  629.796   21.800  7201.61  485.250  7274.70  686.604  7128.67  685.890  633.067   30.686  626.525   30.974 6.542297 43.60043 
1 1 1  -15    4   27 o  343.805   17.092  2131.07  207.690  2145.23  294.094  2116.98  293.344  344.958   24.121  342.652   24.222 2.306732 34.18365 
1 1 1  -15    4   29 o  384.166   17.512  2673.97  237.539  2816.62  336.580  2532.41  335.286  394.614   24.132  373.719   25.383 20.89502 35.02397 
1 1 1  -15    4   31 o  454.040   18.892  3762.33  303.157  3729.53  429.346  3794.93  428.113  451.982   26.876  456.099   26.557 -4.117523 37.78358 
1 1 1  -15    4   33 o  143.827   15.569  385.650   74.575  507.140  106.849  270.257  104.133  168.039   17.990  119.615   25.415 48.42368 31.13790 
1 1 1  -15    4   35 o  548.911   17.575  5490.77  320.976  5540.87  556.862  5465.85  392.792  547.755   28.763  550.067   20.203 -2.312134 35.14991 
1 1 1  -15    4   37 o  217.570   13.763  858.163   99.052  851.119  173.199  861.587  120.748  216.001   22.687  219.140   15.590 -3.138977 27.52670 
1 1 1  -15    4   39 o  353.735   17.321  2310.38  215.930  2515.18  306.278  2108.00  304.471  369.974   23.422  337.496   25.525 32.47775 34.64238 
1 1 1  -15    4   41 o  301.860   17.093  1694.72  182.320  1657.02  258.490  1732.05  257.194  298.304   24.517  305.416   23.826 -7.111542 34.18694 
1 1 1  -15    4   43 o  221.677   16.364  922.274  128.165  953.048  181.927  891.953  180.587  225.525   22.824  217.829   23.456 7.696030 32.72753 
1 1 1  -15    4   45 o   72.946   22.461  103.143   63.599   0.0000   0.0000  103.143   63.599  ?   ?    72.946   22.461      ?      ? 
1 1 1  -15    4   47 f  110.092   15.997  227.171   62.248   0.0000   0.0000  227.171   62.248  ?   ?   110.092   15.997      ?      ? 
1 1 1  -15    5    2 o  943.278   19.322 15818.01  644.201 15771.17  911.088 15864.84  910.987  941.872   27.368  944.683   27.284 -2.810242 38.64497 
1 1 1  -15    5    4 o  379.445   12.847  2551.59  172.226  2633.31  243.691  2470.05  243.437  385.532   17.884  373.359   18.448 12.17270 25.69324 
1 1 1  -15    5    6 o  291.589   10.557  1505.38  108.775  1549.75  154.085  1461.30  153.578  295.879   14.734  287.299   15.124 8.580872 21.11497 
1 1 1  -15    5    8 o  965.220   19.581 16565.03  667.990 16645.98  944.774 16484.12  944.588  967.592   27.626  962.848   27.756 4.743164 39.16133 
1 1 1  -15    5   10 o  587.924   14.887  6132.93  309.165  6375.73  437.343  5890.38  437.109  599.602   20.637  576.246   21.462 23.35608 29.77365 
1 1 1  -15    5   12 o  300.497   13.890  1578.93  139.671  1670.12  242.993  1533.94  170.685  306.730   22.414  294.264   16.411 12.46576 27.77963 
1 1 1  -15    5   14 o  1331.08   31.827 31882.05  1411.02 32065.03  2444.49 31790.62  1727.95  1329.63   52.016  1332.54   36.689 -2.911499 63.65319 
1 1 1  -15    5   16 o  423.331   15.303  3138.58  216.916  3321.06  376.865  3048.18  265.261  432.083   24.677  414.578   18.103 17.50513 30.60528 
1 1 1  -15    5   18 o  1018.72   25.392 18520.32  863.923 19030.94  1497.03 18265.35  1057.85  1026.51   41.262  1010.94   29.606 15.56989 50.78427 
1 1 1  -15    5   20 o  1129.99   46.185 23344.74  1844.59 23344.74  1844.59   0.0000   0.0000  1129.99   46.185  ?   ?       ?      ? 
1 1 1  -15    5   22 o  844.256   26.221 12965.98  782.411 12868.50  1106.80 13063.34  1106.19  840.985   37.236  847.528   36.928 -6.542969 52.44226 
1 1 1  -15    5   24 o  284.751   16.399  1454.19  165.040  1448.02  234.020  1460.29  232.788  284.130   23.303  285.372   23.080 -1.241577 32.79802 
1 1 1  -15    5   26 o  287.470   16.682  1489.23  169.242  1401.70  239.984  1575.83  238.711  278.887   24.346  296.053   22.813 -17.16672 33.36434 
1 1 1  -15    5   28 o  253.208   13.472  1125.04  114.475  1225.32  199.082  1075.51  139.920  260.961   21.584  245.456   16.128 15.50487 26.94437 
1 1 1  -15    5   30 o  656.664   22.248  7788.00  516.352   0.0000   0.0000  7788.00  516.352  ?   ?   656.664   22.248      ?      ? 
1 1 1  -15    5   32 o  151.816   14.916  439.045   70.769  375.841  124.159  469.460   86.130  141.540   25.768  162.091   15.034 -20.55048 29.83296 
1 1 1  -15    5   34 o  387.841   16.081  2793.32  204.477  2554.46  355.194  2911.72  250.071  373.064   26.938  402.618   17.573 -29.55392 32.16300 
1 1 1  -15    5   36 o  706.380   23.426  9109.71  584.864   0.0000   0.0000  9109.71  584.864  ?   ?   706.380   23.426      ?      ? 
1 1 1  -15    5   38 o  205.585   22.827  773.723  165.870  773.723  165.870   0.0000   0.0000  205.585   22.827  ?   ?       ?      ? 
1 1 1  -15    5   40 o  105.809   13.924  200.285   46.917  227.807   86.787  188.921   55.769  109.232   23.196  102.386   15.411 6.846069 27.84875 
1 1 1  -15    5   42 o  191.106   22.666  680.258  153.098   0.0000   0.0000  680.258  153.098  ?   ?   191.106   22.666      ?      ? 
1 1 1  -15    5   44 o   54.865   19.598   49.699   48.052   0.0000   0.0000   49.699   48.052  ?   ?    54.865   19.598      ?      ? 
1 1 1  -15    5   46 o   45.089   12.108   31.179   24.911 -13.5865   58.756   40.990   27.506   43.028   19.156   47.151   14.813 -4.123081 24.21530 
1 1 1  -15    6    1 o  205.115   11.052  745.133   80.098  768.399  113.663  722.183  112.891  208.301   15.439  201.929   15.818 6.371948 22.10310 
1 1 1  -15    6    3 o  362.930   15.548  2392.18  185.687  2497.64  227.538  2181.94  321.282  375.475   17.146  350.385   25.943 25.09027 31.09684 
1 1 1  -15    6    5 o  528.905   14.373  4963.59  268.433  5213.38  379.746  4714.12  379.497  542.258   19.814  515.552   20.826 26.70599 28.74589 
1 1 1  -15    6    7 f  821.041   22.413 12137.42  609.385 11652.56  1056.18 12379.38  746.097  807.370   37.012  834.712   25.289 -27.34247 44.82692 
1 1 1  -15    6    9 o  318.165   13.442  1738.24  143.844  1975.66  251.212  1622.43  175.455  333.691   21.300  302.638   16.403 31.05356 26.88373 
1 1 1  -15    6   11 o  528.629   18.409  5140.19  317.727  4505.34  551.029  5456.40  388.885  502.632   31.017  554.626   19.838 -51.99448 36.81881 
1 1 1  -15    6   13 o  922.975   24.015 15267.88  736.928 15104.69  1277.03 15349.36  902.327  917.465   39.381  928.485   27.496 -11.01941 48.03038 
1 1 1  -15    6   15 f  352.025   17.080  2204.09  212.503  2236.43  301.736  2172.27  299.327  354.594   24.076  349.456   24.234 5.138428 34.16050 
1 1 1  -15    6   17 f  751.766   33.928 10138.60  901.484   0.0000   0.0000 10138.60  901.484  ?   ?   751.766   33.928      ?      ? 
1 1 1  -15    6   21 o  520.083   19.671  4857.74  361.588  4910.37  512.016  4805.37  510.713  522.929   27.703  517.238   27.936 5.690369 39.34287 
1 1 1  -15    6   23 o  485.896   19.110  4254.62  328.120  4360.10  464.683  4149.73  463.383  492.008   26.722  479.785   27.326 12.22260 38.21976 
1 1 1  -15    6   25 o  677.911   22.863  8398.53  547.797  8440.27  775.282  8356.91  774.123  679.633   32.275  676.188   32.391 3.444458 45.72569 
1 1 1  -15    6   27 o  290.170   14.550  1526.44  139.539  1469.32  242.673  1554.66  170.555  285.230   24.072  295.109   16.352 -9.879395 29.10016 
1 1 1  -15    6   29 o  235.293   15.820  989.020  131.566   0.0000   0.0000  989.020  131.566  ?   ?   235.293   15.820      ?      ? 
1 1 1  -15    6   31 o  250.766   15.702  1139.30  138.565  1271.11  197.420  1011.31  194.532  265.379   21.048  236.153   23.306 29.22591 31.40375 
1 1 1  -15    6   33 o  395.355   15.458  2822.31  203.254  2857.84  353.553  2804.78  248.407  395.579   25.287  395.131   17.787 0.4475098 30.91636 
1 1 1  -15    6   35 o  126.561   13.208  280.449   55.050  311.607   99.742  266.801   66.015  131.065   21.531  122.058   15.302 9.007095 26.41522 
1 1 1  -15    6   37 o  321.528   16.828  1861.22  191.234   0.0000   0.0000  1861.22  191.234  ?   ?   321.528   16.828      ?      ? 
1 1 1  -15    6   39 o  346.423   15.378  2211.66  175.651  2161.28  307.255  2236.12  214.084  341.177   25.480  351.669   17.224 -10.49158 30.75531 
1 1 1  -15    6   41 o  261.311   15.916  1236.47  146.994   0.0000   0.0000  1236.47  146.994  ?   ?   261.311   15.916      ?      ? 
1 1 1  -15    6   43 o  368.845   16.985  2493.96  221.429   0.0000   0.0000  2493.96  221.429  ?   ?   368.845   16.985      ?      ? 
1 1 1  -15    6   45 o  224.479   14.867  969.901  108.306  945.162  193.484  981.190  130.702  218.816   25.018  230.141   16.068 -11.32533 29.73327 
1 1 1  -15    6   47 o  164.402   15.855  509.054   92.130   0.0000   0.0000  509.054   92.130  ?   ?   164.402   15.855      ?      ? 
1 1 1  -15    7    2 o  169.588   13.945  528.146   76.846  462.627  134.469  559.920   93.643  161.366   23.577  177.809   14.901 -16.44316 27.89085 
1 1 1  -15    7    4 f  558.146   18.348  5678.29  336.282  5154.52  583.090  5939.32  411.637  537.676   30.683  578.617   20.128 -40.94153 36.69570 
1 1 1  -15    7    6 o  535.944   17.281  5100.38  308.251  5117.94  535.313  5091.66  377.034  536.127   28.250  535.761   19.911 0.3658447 34.56166 
1 1 1  -15    7    8 o  552.417   16.753  5301.98  311.017  5805.20  540.132  5052.37  380.413  571.184   26.755  533.650   20.169 37.53461 33.50527 
1 1 1  -15    7   10 o  1428.67   39.663 37195.57  2002.35 36311.93  2831.99 38078.92  2831.52  1411.17   56.780  1446.17   55.396 -35.00037 79.32628 
1 1 1  -15    7   12 o  414.614   18.190  3062.32  266.181  2879.86  377.059  3243.58  375.818  402.199   26.525  427.029   24.900 -24.82947 36.38081 
1 1 1  -15    7   14 o  1515.66   42.160 42312.41  2258.25 41612.95  3193.98 43011.59  3193.33  1502.60   60.141  1528.72   59.101 -26.12170 84.31999 
1 1 1  -15    7   16 o  779.438   24.716 10918.35  680.760 10683.61  963.287 11152.56  962.193  770.919   35.353  787.956   34.549 -17.03717 49.43170 
1 1 1  -15    7   18 o  447.441   26.149  3578.52  413.540   0.0000   0.0000  3578.52  413.540  ?   ?   447.441   26.149      ?      ? 
1 1 1  -15    7   20 o  474.748   16.422  4035.70  259.038  4008.46  449.892  4049.21  316.825  472.616   26.933  476.880   18.797 -4.263489 32.84352 
1 1 1  -15    7   22 o  1019.98   26.533 19155.10  897.617 18846.61  1555.55 19309.10  1099.06  1007.18   43.697  1032.79   30.109 -25.60529 53.06591 
1 1 1  -15    7   24 o  509.100   16.304  4562.96  278.671  4966.36  484.014  4362.94  340.830  524.365   26.116  493.835   19.527 30.53033 32.60892 
1 1 1  -15    7   26 o  469.324   18.739  3995.49  310.660  4163.59  440.492  3829.13  438.196  479.373   25.998  459.275   26.995 20.09851 37.47817 
1 1 1  -15    7   28 o  135.928   16.809  378.420   69.468  253.989  123.490  436.026   84.023  115.550   29.980  156.305   15.209 -40.75551 33.61710 
1 1 1  -15    7   30 o  467.808   16.046  3906.38  250.985  4134.98  436.647  3793.58  306.717  476.171   25.945  459.445   18.888 16.72635 32.09167 
1 1 1  -15    7   32 o  247.549   16.372  1113.41  143.155  1090.49  204.598  1135.40  200.370  244.911   23.636  250.187   22.659 -5.275665 32.74305 
1 1 1  -15    7   34 o  268.473   13.678  1266.73  122.498  1402.18  216.292  1202.78  148.633  277.955   22.016  258.990   16.237 18.96500 27.35632 
1 1 1  -15    7   36 o  276.044   13.854  1348.13  127.334  1474.96  225.032  1288.40  154.436  284.358   22.390  267.730   16.320 16.62775 27.70705 
1 1 1  -15    7   38 o  187.667   14.830  658.915   89.126  602.094  161.097  683.977  106.992  180.342   25.274  194.991   15.524 -14.64824 29.66096 
1 1 1  -15    7   40 o  631.335   22.329  7692.72  497.184  8268.34  705.699  7125.42  700.579  656.736   30.402  605.935   32.712 50.80103 44.65872 
1 1 1  -15    7   42 o   58.637   14.077   38.849   23.289  103.179   74.103   31.799   24.532   74.536   24.401   42.738   14.042 31.79773 28.15332 
1 1 1  -15    7   44 o   58.818   13.388   70.650   29.539 -21.5399   85.120   83.273   31.497   51.208   22.908   66.428   13.863 -15.21960 26.77647 
1 1 1  -15    7   46 o  179.692   15.459  603.213   98.180   0.0000   0.0000  603.213   98.180  ?   ?   179.692   15.459      ?      ? 
1 1 1  -15    8    1 o  418.117   18.693  3101.18  276.247   0.0000   0.0000  3101.18  276.247  ?   ?   418.117   18.693      ?      ? 
1 1 1  -15    8    3 o  377.272   17.556  2523.37  234.097   0.0000   0.0000  2523.37  234.097  ?   ?   377.272   17.556      ?      ? 
1 1 1  -15    8    5 o  979.736   28.884 17107.19  1000.20   0.0000   0.0000 17107.19  1000.20  ?   ?   979.736   28.884      ?      ? 
1 1 1  -15    8    7 o  756.850   24.312 10277.60  647.271  9137.36  915.464 11417.42  915.296  714.232   36.264  799.468   32.392 -85.23615 48.62473 
1 1 1  -15    8    9 o  440.065   18.692  3455.57  289.839  3152.42  410.495  3756.96  409.297  420.626   27.612  459.504   25.202 -38.87772 37.38349 
1 1 1  -15    8   11 o  555.645   19.859  5513.73  389.049  5973.26  551.299  5057.86  549.104  578.941   26.942  532.349   29.184 46.59100 39.71851 
1 1 1  -15    8   13 o  641.030   21.620  7352.89  489.408  7714.99  692.775  6992.15  691.481  656.975   29.835  625.085   31.298 31.88971 43.24002 
1 1 1  -15    8   15 o  306.559   11.974  1547.93  124.219  2114.28  217.702  1274.53  151.260  345.073   17.850  268.046   15.966 77.02728 23.94833 
1 1 1  -15    8   17 o  1272.66   35.433 29265.41  1593.83   0.0000   0.0000 29265.41  1593.83  ?   ?   1272.66   35.433      ?      ? 
1 1 1  -15    8   19 o  853.214   21.592 12897.88  618.194 13881.51  1071.90 12407.65  756.723  874.635   34.674  831.792   25.740 42.84393 43.18357 
1 1 1  -15    8   21 o  412.613   14.943  3002.94  206.252  3177.56  358.843  2916.79  252.045  420.685   24.134  404.542   17.628 16.14343 29.88605 
1 1 1  -15    8   23 o  499.007   16.183  4422.14  270.017  4641.01  469.144  4313.72  330.188  506.836   26.189  491.178   19.020 15.65771 32.36677 
1 1 1  -15    8   25 o  259.068   23.176  1209.85  212.218  1209.85  212.218   0.0000   0.0000  259.068   23.176  ?   ?       ?      ? 
1 1 1  -15    8   27 f  376.185   15.783  2587.00  195.582  2458.19  340.829  2650.24  238.816  367.627   26.231  384.744   17.562 -17.11661 31.56686 
1 1 1  -15    8   29 o  165.706   12.677  474.249   69.483  544.780  125.742  443.245   83.368  173.871   20.461  157.542   14.972 16.32851 25.35400 
1 1 1  -15    8   31 o  144.718   15.836  378.832   80.767  389.205  119.456  370.097  109.621  146.427   23.082  143.009   21.688 3.417801 31.67198 
1 1 1  -15    8   33 o   65.284   12.854   49.829   25.034  139.712   63.442   33.253   27.245   86.201   21.014   44.366   14.809 41.83450 25.70758 
1 1 1  -15    8   35 o  251.986   13.915  1135.92  115.762  1187.84  205.840  1111.91  140.000  255.111   22.829  248.860   15.917 6.250778 27.82964 
1 1 1  -15    8   37 o  383.173   15.132  2643.08  192.671  2791.29  338.869  2572.28  234.213  389.000   24.647  377.345   17.561 11.65512 30.26316 
1 1 1  -15    8   39 o  372.981   14.283  2502.43  188.286   0.0000   0.0000  2502.43  188.286  ?   ?   372.981   14.283      ?      ? 
1 1 1  -15    8   41 o  188.325   13.380  626.255   81.640  717.184  153.053  590.095   96.518  196.203   22.071  180.447   15.133 15.75604 26.76062 
1 1 1  -15    8   43 o  227.804   12.316  938.415   99.163   0.0000   0.0000  938.415   99.163  ?   ?   227.804   12.316      ?      ? 
1 1 1  -15    8   45 o  292.092   13.203  1565.59  136.310   0.0000   0.0000  1565.59  136.310  ?   ?   292.092   13.203      ?      ? 
1 1 1  -15    9    8 o  372.973   24.624  2476.94  324.603   0.0000   0.0000  2476.94  324.603  ?   ?   372.973   24.624      ?      ? 
1 1 1  -15    9   10 o  1119.95   45.573 22773.43  1803.94   0.0000   0.0000 22773.43  1803.94  ?   ?   1119.95   45.573      ?      ? 
1 1 1  -15    9   12 o  348.333   16.365  2152.60  201.485   0.0000   0.0000  2152.60  201.485  ?   ?   348.333   16.365      ?      ? 
1 1 1  -15    9   14 o  462.777   15.085  3710.79  234.890  4144.26  408.409  3496.54  287.132  481.974   23.975  443.580   18.314 38.39316 30.16940 
1 1 1  -15    9   16 o  751.978   19.443  9891.62  492.056 10959.11  853.461  9360.12  602.222  780.136   30.952  723.820   23.540 56.31580 38.88668 
1 1 1  -15    9   18 o  505.529   19.897  4605.33  355.114  4367.55  503.110  4841.41  501.309  492.251   28.917  518.806   27.339 -26.55508 39.79468 
1 1 1  -15    9   20 o  335.326   15.268  2049.28  168.288  1913.29  293.303  2116.02  205.475  326.024   25.453  344.628   16.869 -18.60406 30.53581 
1 1 1  -15    9   22 o  113.411   15.586  233.087   61.003  294.210   90.444  182.074   82.627  128.183   19.963   98.640   23.942 29.54308 31.17271 
1 1 1  -15    9   24 o  308.894   14.079  1680.27  145.179  1806.23  254.491  1619.50  176.763  316.627   22.741  301.161   16.606 15.46582 28.15858 
1 1 1  -15    9   26 o  196.691   15.603  697.255  108.286  754.621  155.536  643.292  150.851  204.636   21.504  188.747   22.612 15.88965 31.20521 
1 1 1  -15    9   28 o  460.632   17.588  3972.88  264.286  3539.34  459.512  4187.18  323.068  438.555   29.645  482.709   18.936 -44.15402 35.17674 
1 1 1  -15    9   30 o  283.651   16.548  1563.87  148.454  1205.49  259.790  1737.64  180.898  255.864   28.727  311.438   16.434 -55.57436 33.09577 
1 1 1  -15    9   32 o  141.219   14.934  363.519   65.349  371.713  122.437  360.255   77.277  140.575   25.585  141.863   15.412 -1.288345 29.86834 
1 1 1  -15    9   34 o  232.414   12.048  893.604   93.388  1219.51  170.029  752.816  111.754  259.942   18.507  204.885   15.432 55.05656 24.09671 
1 1 1  -15    9   36 o  173.130   13.678  524.937   76.512  590.743  143.782  498.942   90.369  179.611   22.649  166.649   15.342 12.96201 27.35643 
1 1 1  -15    9   38 o  259.273   15.265  1288.67  113.897  1136.86  238.195  1333.67  129.684  245.920   27.404  272.626   13.459 -26.70561 30.53079 
1 1 1  -15    9   40 o  285.363   12.685  1373.71  110.269  1724.26  232.634  1272.12  125.231  304.919   21.586  265.807   13.330 39.11188 25.36994 
1 1 1  -15    9   42 o  159.614   11.888  459.321   67.067   0.0000   0.0000  459.321   67.067  ?   ?   159.614   11.888      ?      ? 
1 1 1  -15    9   44 o   62.190   13.125   88.277   35.013 -110.2071  102.117  114.720   37.273   46.427   22.177   77.953   14.045 -31.52628 26.25014 
1 1 1  -15   10    1 o  415.371   25.548  3080.33  375.068  3080.33  375.068   0.0000   0.0000  415.371   25.548  ?   ?       ?      ? 
1 1 1  -15   10    3 o  128.661   24.382  304.693  106.815  304.693  106.815   0.0000   0.0000  128.661   24.382  ?   ?       ?      ? 
1 1 1  -15   10    5 o  468.053   26.645  3911.74  440.794  3911.74  440.794   0.0000   0.0000  468.053   26.645  ?   ?       ?      ? 
1 1 1  -15   10    7 o  286.006   22.987  1456.96  232.370   0.0000   0.0000  1456.96  232.370  ?   ?   286.006   22.987      ?      ? 
1 1 1  -15   10    9 o  627.554   30.493  7061.13  676.346   0.0000   0.0000  7061.13  676.346  ?   ?   627.554   30.493      ?      ? 
1 1 1  -15   10   11 o  364.222   24.365  2368.00  313.650   0.0000   0.0000  2368.00  313.650  ?   ?   364.222   24.365      ?      ? 
1 1 1  -15   10   13 o  454.381   26.263  3696.93  421.774   0.0000   0.0000  3696.93  421.774  ?   ?   454.381   26.263      ?      ? 
1 1 1  -15   10   15 o  345.986   24.203  2143.12  295.965   0.0000   0.0000  2143.12  295.965  ?   ?   345.986   24.203      ?      ? 
1 1 1  -15   10   19 o  179.660   22.060  578.834  140.082   0.0000   0.0000  578.834  140.082  ?   ?   179.660   22.060      ?      ? 
1 1 1  -15   10   21 o  435.521   18.413  3430.17  283.380  3518.06  401.630  3343.03  399.897  441.184   25.756  429.857   26.321 11.32712 36.82652 
1 1 1  -15   10   23 o  409.140   18.165  3033.85  262.662  2995.11  372.089  3072.32  370.835  406.453   25.901  411.827   25.477 -5.374115 36.33088 
1 1 1  -15   10   25 o  197.444   15.707  703.069  109.551  736.927  157.103  671.022  152.842  202.108   21.993  192.779   22.432 9.328583 31.41436 
1 1 1  -15   10   27 o  664.993   22.771  8198.70  535.052  8425.78  757.668  7972.81  755.690  674.586   31.778  655.399   32.623 19.18738 45.54169 
1 1 1  -15   10   29 o  344.698   16.839  2162.85  204.412  2389.35  291.040  1942.34  287.163  362.977   22.686  326.418   24.890 36.55902 33.67756 
1 1 1  -15   10   31 o  260.603   16.220  1233.75  149.307  1297.31  213.815  1173.26  208.586  267.244   22.636  253.961   23.238 13.28288 32.44094 
1 1 1  -15   10   33 o   49.164   13.811   24.056   36.248 -46.9199   74.152   46.342   41.551   45.293   20.707   53.034   18.280 -7.741001 27.62122 
1 1 1  -15   10   35 o  241.023   14.287  1057.77  112.200  1050.30  201.608  1061.12  135.046  239.091   23.857  242.954   15.727 -3.863052 28.57456 
1 1 1  -15   10   37 o  259.375   13.500  1191.11  114.959  1317.65  209.099  1136.29  137.624  267.677   22.102  251.073   15.509 16.60321 26.99990 
1 1 1  -15   10   39 o  103.640   17.002  229.202   55.293  145.566  115.646  253.987   62.955   88.761   30.502  118.519   15.029 -29.75775 34.00331 
1 1 1  -15   10   41 o  334.585   12.205  1847.19  126.139  2519.64  264.469  1649.17  143.515  367.378   20.368  301.793   13.455 65.58441 24.41038 
1 1 1  -15   10   43 o  206.307   12.812  723.720   76.818  944.156  173.991  670.347   85.615  220.783   22.297  191.830   12.627 28.95238 25.62408 
1 1 1  -15   10   45 o  156.456   15.162  458.892   83.844   0.0000   0.0000  458.892   83.844  ?   ?   156.456   15.162      ?      ? 
1 1 1  -15   11    2 o  634.195   19.238  7275.67  403.932  7015.73  700.696  7405.06  494.339  624.003   31.770  644.387   21.705 -20.38354 38.47675 
1 1 1  -15   11    4 o  291.472   14.976  1596.64  140.226  1302.07  244.614  1740.82  171.137  269.785   25.653  313.158   15.462 -43.37271 29.95263 
1 1 1  -15   11    6 o  641.132   17.826  7227.20  383.282  7738.93  665.174  6972.84  468.962  656.739   28.656  625.524   21.212 31.21515 35.65278 
1 1 1  -15   11    8 o  413.160   19.025  3073.30  275.940  2676.02  391.279  3466.38  389.205  386.083   28.674  440.237   25.013 -54.15393 38.05067 
1 1 1  -15   11   10 o  653.086   31.392  7691.00  724.624  7691.00  724.624   0.0000   0.0000  653.086   31.392  ?   ?       ?      ? 
1 1 1  -15   11   24 o  271.497   23.126  1333.29  221.916   0.0000   0.0000  1333.29  221.916  ?   ?   271.497   23.126      ?      ? 
1 1 1  -15   11   26 o  364.738   24.793  2420.01  319.622   0.0000   0.0000  2420.01  319.622  ?   ?   364.738   24.793      ?      ? 
1 1 1  -15   11   28 o  326.885   24.131  1944.68  278.803   0.0000   0.0000  1944.68  278.803  ?   ?   326.885   24.131      ?      ? 
1 1 1  -15   11   30 o  123.232   17.248  286.002   72.296  284.871  106.183  286.979   98.710  122.754   25.314  123.711   23.433 -0.9562683 34.49543 
1 1 1  -15   11   32 o  188.012   11.878  566.840   73.925  853.980  137.353  449.746   87.712  217.693   17.851  158.331   15.674 59.36177 23.75587 
1 1 1  -15   11   34 o  581.025   16.355  5953.99  319.651  6957.04  559.833  5468.80  389.360  613.389   25.823  548.661   20.078 64.72754 32.71012 
1 1 1  -15   11   36 o  359.020   16.481  2446.85  190.602  2200.65  338.806  2560.85  230.544  341.999   28.029  376.040   17.346 -34.04156 32.96214 
1 1 1  -15   11   38 f  230.618   16.157  964.568  131.694   0.0000   0.0000  964.568  131.694  ?   ?   230.618   16.157      ?      ? 
1 1 1  -15   11   40 o  199.583   15.980  727.560  112.724   0.0000   0.0000  727.560  112.724  ?   ?   199.583   15.980      ?      ? 
1 1 1  -15   11   42 o  133.619   13.430  269.474   53.348  479.546  123.107  220.904   59.195  157.777   22.076  109.461   15.301 48.31597 26.85987 
1 1 1  -15   11   44 o  224.398   23.767  1017.37  188.499   0.0000   0.0000  1017.37  188.499  ?   ?   224.398   23.767      ?      ? 
1 1 1  -15   12    1 o  349.555   18.855  2227.83  228.179  1725.68  323.461  2725.23  321.931  309.088   29.609  390.021   23.354 -80.93213 37.71035 
1 1 1  -15   12    3 o  265.570   13.042  1271.80  114.148  1213.75  199.318  1300.13  139.245  260.597   21.640  270.542   14.562 -9.945435 26.08338 
1 1 1  -15   12    5 o  331.027   17.185  1968.02  200.424  1793.67  283.873  2141.31  283.014  316.164   25.403  345.890   23.150 -29.72656 34.36935 
1 1 1  -15   12    7 o  224.881   22.822  904.960  181.395  904.960  181.395   0.0000   0.0000  224.881   22.822  ?   ?       ?      ? 
1 1 1  -15   12    9 o  542.447   20.129  5306.45  385.849  5428.10  546.302  5185.36  545.045  548.765   28.166  536.130   28.764 12.63562 40.25755 
1 1 1  -15   12   11 o  922.502   28.411 15713.91  924.113 14510.98  1307.02 16916.37  1306.77  885.612   41.756  959.393   38.537 -73.78107 56.82154 
1 1 1  -15   12   13 o  596.049   21.080  6444.58  443.682  6767.22  628.058  6123.17  626.865  611.320   29.068  580.778   30.538 30.54205 42.16056 
1 1 1  -15   12   17 f  245.165   23.057  1081.77  199.796  1081.77  199.796   0.0000   0.0000  245.165   23.057  ?   ?       ?      ? 
1 1 1  -15   12   19 o  325.392   24.217  1912.71  278.509  1912.71  278.509   0.0000   0.0000  325.392   24.217  ?   ?       ?      ? 
1 1 1  -15   12   29 o  290.808   23.348  1539.37  239.985   0.0000   0.0000  1539.37  239.985  ?   ?   290.808   23.348      ?      ? 
1 1 1  -15   12   31 o  536.944   19.953  5221.24  378.666   0.0000   0.0000  5221.24  378.666  ?   ?   536.944   19.953      ?      ? 
1 1 1  -15   12   33 o  433.195   17.945  3390.86  274.761   0.0000   0.0000  3390.86  274.761  ?   ?   433.195   17.945      ?      ? 
1 1 1  -15   12   35 o  513.181   13.440  4417.11  232.912  6195.84  410.444  3572.28  282.866  582.663   19.930  443.699   18.037 138.9644 26.88062 
1 1 1  -15   12   37 o  577.124   15.384  5827.39  300.228  7359.98  525.044  5082.83  365.961  628.031   23.653  526.218   19.677 101.8131 30.76770 
1 1 1  -15   12   39 o  203.765   16.716  819.306  107.446  702.573  193.692  871.193  129.136  189.415   28.932  218.114   16.751 -28.69882 33.43125 
1 1 1  -15   12   41 o  160.820   17.303  506.233   97.640  505.598  146.617  506.739  130.885  159.743   25.968  161.896   22.874 -2.152878 34.60550 
1 1 1  -15   12   43 o  243.599   24.345  1201.76  209.607   0.0000   0.0000  1201.76  209.607  ?   ?   243.599   24.345      ?      ? 
1 1 1  -15   13    2 o  347.168   17.213  2168.05  211.211  2149.76  298.289  2186.44  299.108  345.681   24.414  348.654   24.272 -2.972626 34.42675 
1 1 1  -15   13    4 o  171.290   15.725  526.047   95.196  531.263  135.262  520.928  134.001  172.132   22.233  170.448   22.243 1.683655 31.44934 
1 1 1  -15   13    6 o  164.359   17.247  502.160   94.794  371.358  134.774  630.221  133.355  140.991   28.033  187.727   20.098 -46.73598 34.49310 
1 1 1  -15   13    8 o  260.570   16.705  1229.09  152.130  1023.99  215.545  1432.67  214.745  238.375   25.583  282.766   21.487 -44.39143 33.40952 
1 1 1  -15   13   10 o  239.408   16.408  1034.59  137.949  905.078  195.656  1162.62  194.528  224.178   24.693  254.638   21.614 -30.45959 32.81662 
1 1 1  -15   13   12 o  115.836   16.909  249.907   66.890  255.224   96.694  245.028   92.632  116.991   24.184  114.681   23.639 2.309853 33.81791 
1 1 1  -15   13   14 o  479.157   18.976  4161.96  320.902  4430.42  455.025  3896.33  452.632  494.894   26.014  463.420   27.634 31.47366 37.95228 
1 1 1  -15   13   16 o  295.485   23.709  1575.38  247.608  1575.38  247.608   0.0000   0.0000  295.485   23.709  ?   ?       ?      ? 
1 1 1  -15   13   18 o  319.359   17.175  1848.47  193.392  1708.44  274.100  1987.27  272.898  306.991   25.262  331.727   23.276 -24.73608 34.34978 
1 1 1  -15   13   20 o  269.022   16.476  1308.99  156.624  1347.06  223.095  1271.98  219.939  272.925   23.127  265.119   23.471 7.805359 32.95123 
1 1 1  -15   13   22 o  180.045   23.149  587.222  147.312  587.222  147.312   0.0000   0.0000  180.045   23.149  ?   ?       ?      ? 
1 1 1  -15   13   24 o  265.728   23.641  1282.53  222.033  1282.53  222.033   0.0000   0.0000  265.728   23.641  ?   ?       ?      ? 
1 1 1  -15   13   26 o  103.169   15.573  191.211   54.298  252.448   87.453  152.797   69.265  116.238   22.094   90.100   21.952 26.13823 31.14588 
1 1 1  -15   13   30 o  481.346   27.506  4290.24  467.952   0.0000   0.0000  4290.24  467.952  ?   ?   481.346   27.506      ?      ? 
1 1 1  -15   13   32 o  288.381   23.440  1526.78  238.917   0.0000   0.0000  1526.78  238.917  ?   ?   288.381   23.440      ?      ? 
1 1 1  -15   13   34 o  402.572   25.859  3023.39  367.945   0.0000   0.0000  3023.39  367.945  ?   ?   402.572   25.859      ?      ? 
1 1 1  -15   13   36 o  147.467   21.801  402.668  113.629   0.0000   0.0000  402.668  113.629  ?   ?   147.467   21.801      ?      ? 
1 1 1  -15   13   38 o  275.221   24.034  1438.33  233.787   0.0000   0.0000  1438.33  233.787  ?   ?   275.221   24.034      ?      ? 
1 1 1  -15   13   40 o  335.988   17.757  2219.70  209.775  2485.18  299.453  1963.86  293.958  357.592   23.693  314.383   26.455 43.20901 35.51365 
1 1 1  -15   13   42 o  203.877   23.855  835.855  171.894   0.0000   0.0000  835.855  171.894  ?   ?   203.877   23.855      ?      ? 
1 1 1  -15   14    1 o  200.773   15.784  725.130  111.865  680.227  157.371  770.994  159.046  194.396   22.904  207.149   21.723 -12.75356 31.56725 
1 1 1  -15   14    3 o   90.901   15.816  151.066   51.814   97.919   70.425  213.783   76.504   74.398   23.741  107.405   20.905 -33.00742 31.63292 
1 1 1  -15   14    5 o  385.262   17.706  2683.92  240.404  2451.19  339.636  2917.61  340.332  368.144   26.102  402.380   23.930 -34.23605 35.41148 
1 1 1  -15   14    7 o  432.733   18.427  3387.64  281.724  3495.52  398.777  3280.14  398.060  439.765   25.656  425.701   26.456 14.06387 36.85308 
1 1 1  -15   14    9 o  212.869   16.632  839.758  119.266  553.097  168.351  1128.59  168.986  174.631   27.276  251.107   19.040 -76.47588 33.26385 
1 1 1  -15   14   11 o  251.249   16.188  1137.16  143.708  1106.19  203.311  1168.09  203.155  247.762   23.217  254.737   22.564 -6.975006 32.37539 
1 1 1  -15   14   13 o  253.738   16.780  1169.38  149.189  1001.59  211.846  1334.48  210.134  235.156   25.488  272.319   21.832 -37.16286 33.56045 
1 1 1  -15   14   15 o  481.426   27.367  4220.46  465.676  4220.46  465.676   0.0000   0.0000  481.426   27.367  ?   ?       ?      ? 
1 1 1  -15   14   17 o   58.451   14.551   44.772   38.651   87.877   60.187   14.521   50.422   70.021   21.898   46.880   19.169 23.14129 29.10277 
1 1 1  -15   14   19 o  499.382   19.661  4563.06  346.989  4649.52  491.553  4477.18  489.884  504.234   27.581  494.530   28.027 9.704163 39.32258 
1 1 1  -15   14   21 o  390.208   17.844  2774.22  245.899  2910.98  349.087  2639.53  346.435  400.003   24.692  380.413   25.766 19.59021 35.68700 
1 1 1  -15   14   23 o  154.527   15.956  452.606   76.277  405.020  137.841  473.609   91.576  146.397   27.653  162.657   15.929 -16.25990 31.91270 
1 1 1  -15   14   25 o  191.549   14.620  664.506   91.528  659.810  163.681  666.643  110.401  190.227   24.345  192.872   16.195 -2.645355 29.23960 
1 1 1  -15   14   27 o  440.279   16.374  3516.87  239.556  3578.01  417.590  3486.88  292.466  440.862   26.800  439.696   18.819 1.165924 32.74719 
1 1 1  -15   14   29 o  226.901   15.919  937.515  127.518  988.767  185.715  891.798  175.401  232.734   22.577  221.068   22.448 11.66653 31.83793 
1 1 1  -15   14   31 o  134.956   19.250  360.777   88.820  249.928  133.316  449.250  119.104  113.071   31.947  156.842   21.485 -43.77106 38.49986 
1 1 1  -15   14   39 f  158.696   22.354  484.861  125.384   0.0000   0.0000  484.861  125.384  ?   ?   158.696   22.354      ?      ? 
1 1 1  -15   14   41 o  130.303   23.654  347.073  104.924   0.0000   0.0000  347.073  104.924  ?   ?   130.303   23.654      ?      ? 
1 1 1  -15   15    2 o  118.082   17.249  261.394   69.546  269.216   96.318  252.875  100.523  120.145   23.524  116.020   25.233 4.124443 34.49723 
1 1 1  -15   15    4 o  256.967   16.314  1191.92  148.033  1131.02  209.018  1253.21  209.686  250.249   23.631  263.686   22.499 -13.43692 32.62892 
1 1 1  -15   15    6 f  135.898   16.146  339.128   74.647  264.787  103.307  420.348  107.981  118.763   25.381  153.033   19.964 -34.26949 32.29158 
1 1 1  -15   15    8 o  261.257   16.144  1240.89  146.798  990.942  206.463  1496.44  208.764  233.914   24.973  288.599   20.466 -54.68530 32.28786 
1 1 1  -15   15   10 o  443.926   18.629  3593.89  290.465  3139.08  410.341  4050.64  411.219  414.890   27.983  472.961   24.600 -58.07059 37.25823 
1 1 1  -15   15   12 o  296.460   16.718  1589.90  175.153  1621.74  247.859  1558.13  247.548  299.491   23.415  293.428   23.869 6.062653 33.43680 
1 1 1  -15   15   16 o  181.608   16.051  596.987  102.806  645.991  146.265  549.139  144.531  189.127   21.881  174.089   23.489 15.03784 32.10160 
1 1 1  -15   15   18 o  230.818   13.038  958.728   99.321  951.485  174.592  962.194  120.766  229.500   21.524  232.135   14.719 -2.635193 26.07550 
1 1 1  -15   15   20 o  369.601   15.971  2501.33  194.825  2401.54  339.031  2550.53  238.057  362.313   26.475  376.889   17.871 -14.57565 31.94202 
1 1 1  -15   15   22 o  269.636   15.716  1350.05  138.427  1229.34  241.799  1408.89  168.831  259.049   26.409  280.224   17.046 -21.17554 31.43266 
1 1 1  -15   15   24 o  127.724   16.433  303.630   71.185  323.940  106.429  287.189   95.757  131.510   23.772  123.939   22.696 7.571541 32.86678 
1 1 1  -15   15   26 o  291.720   18.035  1675.16  166.188  1279.01  289.610  1869.66  202.922  261.288   31.360  322.153   17.822 -60.86456 36.07003 
1 1 1  -15   15   28 o  311.169   24.131  1777.68  265.394   0.0000   0.0000  1777.68  265.394  ?   ?   311.169   24.131      ?      ? 
1 1 1  -15   15   30 o  260.965   17.045  1260.62  156.323  1119.00  222.033  1399.83  220.127  245.693   25.568  276.237   22.546 -30.54369 34.08920 
1 1 1  -15   15   32 o   87.529   17.900  146.801   58.724  132.302   84.526  160.328   81.646   83.794   25.909   91.264   24.706 -7.470779 35.80045 
1 1 1  -15   15   34 o  201.840   15.243  784.409   98.841  677.325  174.131  835.312  120.056  189.097   26.054  214.583   15.830 -25.48528 30.48562 
1 1 1  -15   15   36 o  143.520   18.833  413.872   91.544  334.197  136.350  479.260  123.523  127.451   30.646  159.589   21.899 -32.13834 37.66580 
1 1 1  -15   15   38 o  193.434   22.772  724.090  155.685   0.0000   0.0000  724.090  155.685  ?   ?   193.434   22.772      ?      ? 
1 1 1  -15   15   40 o   64.802   20.071   82.647   50.699   0.0000   0.0000   82.647   50.699  ?   ?    64.802   20.071      ?      ? 
1 1 1  -15   16    1 o  429.389   18.641  3361.55  282.698  3496.52  399.121  3225.67  400.473  438.335   25.762  420.443   26.949 17.89218 37.28190 
1 1 1  -15   16    3 o  116.685   23.765  255.039   94.680  255.039   94.680   0.0000   0.0000  116.685   23.765  ?   ?       ?      ? 
1 1 1  -15   16    5 o  135.440   15.815  331.086   75.672  323.974  105.105  338.741  109.036  133.952   22.200  136.928   22.530 -2.975296 31.62959 
1 1 1  -15   16    7 o  243.660   15.964  1082.02  135.107  849.894  189.794  1320.51  192.374  216.373   24.818  270.948   20.088 -54.57431 31.92875 
1 1 1  -15   16    9 o   87.036   15.562  138.708   49.616   85.171   67.758  200.601   72.853   70.247   23.350  103.824   20.580 -33.57742 31.12492 
1 1 1  -15   16   11 o  226.783   13.296  903.135  101.100  988.165  176.271  861.451  123.417  234.048   21.309  219.518   15.907 14.52968 26.59105 
1 1 1  -15   16   13 o  336.416   17.399  2028.57  206.882   0.0000   0.0000  2028.57  206.882  ?   ?   336.416   17.399      ?      ? 
1 1 1  -15   16   15 o  470.207   14.206  3884.51  224.444  4303.52  390.501  3677.81  274.273  487.435   22.667  452.978   17.131 34.45660 28.41210 
1 1 1  -15   16   17 o  321.819   15.304  1960.65  159.020  1639.83  276.328  2119.51  194.445  299.528   26.102  344.111   15.987 -44.58356 30.60863 
1 1 1  -15   16   19 f  387.878   16.215  2856.99  203.240  2392.61  352.516  3088.21  248.742  360.828   27.641  414.928   16.961 -54.09933 32.43030 
1 1 1  -15   16   21 o  250.496   14.766  1160.50  120.919  1064.49  211.448  1207.16  147.399  241.444   24.778  259.549   16.068 -18.10541 29.53173 
1 1 1  -15   16   23 o   90.463   15.952  151.876   47.545  157.464   88.100  149.581   56.475   91.379   26.024   89.547   18.457 1.831963 31.90453 
1 1 1  -15   16   25 f  308.880   17.185  1758.48  185.809  1486.14  262.440  2032.21  263.108  283.884   26.156  333.875   22.296 -49.99039 34.36926 
1 1 1  -15   16   27 f  238.711   16.842  1055.01  139.967  1261.75  198.468  850.435  197.423  263.063   21.346  214.360   26.058 48.70294 33.68435 
1 1 1  -15   16   29 o  350.882   17.713  2283.23  219.659  2319.42  311.465  2247.42  309.831  353.740   24.912  348.025   25.188 5.714447 35.42645 
1 1 1  -15   16   31 o  363.269   14.372  2430.36  172.741  2390.66  300.704  2449.92  211.036  358.636   23.723  367.902   16.229 -9.266052 28.74305 
1 1 1  -15   16   33 o  120.802   17.539  309.578   67.805  205.673  121.052  357.082   81.850  101.567   30.936  140.037   16.537 -38.46983 35.07851 
1 1 1  -15   16   35 o  230.888   14.945  1009.78  113.200  976.802  198.593  1025.66  137.773  225.380   24.930  236.396   16.489 -11.01587 29.89012 
1 1 1  -15   16   37 o  194.170   14.687  733.200   92.659  684.560  163.149  756.360  112.577  186.195   24.791  202.145   15.757 -15.94995 29.37474 
1 1 1  -15   16   39 o   95.231   15.760  204.824   52.226  118.286   93.900  243.585   62.843   76.487   27.388  113.975   15.600 -37.48824 31.51940 
1 1 1  -15   17    2 o  108.137   15.529  212.893   55.287  223.680   96.149  207.564   67.576  108.720   25.468  107.555   17.776 1.165154 31.05840 
1 1 1  -15   17    4 o  150.675   12.402  404.110   62.731  416.911  107.687  397.535   77.178  152.134   20.027  149.216   14.634 2.917404 24.80381 
1 1 1  -15   17    6 o   63.242   14.517   69.285   38.336   42.181   56.956   91.736   51.836   56.045   21.115   70.440   19.927 -14.39489 29.03347 
1 1 1  -15   17    8 o  345.290   13.421  2147.36  154.163  2132.56  266.934  2154.76  188.840  343.382   21.994  347.199   15.388 -3.817352 26.84297 
1 1 1  -15   17   10 o  182.969   11.606  603.741   70.711  586.281  121.527  612.678   86.944  180.542   19.045  185.397   13.268 -4.855606 23.21108 
1 1 1  -15   17   12 o  257.959   15.375  1189.86  140.181   0.0000   0.0000  1189.86  140.181  ?   ?   257.959   15.375      ?      ? 
1 1 1  -15   17   14 o  332.081   12.773  1964.17  141.466  2033.88  246.277  1929.83  172.822  335.563   20.765  328.599   14.880 6.964264 25.54617 
1 1 1  -15   17   16 o  436.632   17.876  3647.34  251.848  3033.32  436.426  3953.91  308.375  404.507   30.526  468.757   18.613 -64.25021 35.75264 
1 1 1  -15   17   18 o  315.641   13.407  1790.74  140.874  1807.70  244.553  1782.31  172.341  315.744   21.914  315.539   15.453 0.2051392 26.81445 
1 1 1  -15   17   20 f   91.208   17.069  157.471   56.607  189.823   79.514  124.225   80.606  100.243   22.939   82.172   25.284 18.07021 34.13864 
1 1 1  -15   17   22 o  224.906   16.586  925.747  131.584  986.698  185.602  864.154  186.579  232.634   22.573  217.178   24.307 15.45618 33.17157 
1 1 1  -15   17   24 o  144.656   17.246  389.529   86.306  371.076  121.444  408.357  122.676  139.976   25.486  149.336   23.242 -9.359772 34.49277 
1 1 1  -15   17   26 o   52.013   12.943   45.052   27.722   17.336   58.731   52.997   31.445   50.294   20.641   53.733   15.622 -3.439251 25.88612 
1 1 1  -15   17   28 o  211.594   17.329  899.899  114.428  658.614  199.789  1017.69  139.592  185.963   30.397  237.225   16.649 -51.26183 34.65730 
1 1 1  -15   17   30 o  232.645   14.168  1015.53  107.935  931.750  187.732  1056.91  131.919  223.535   23.761  241.755   15.439 -18.21925 28.33649 
1 1 1  -15   17   32 o  482.664   16.615  4440.23  264.047  4215.21  457.580  4552.57  323.307  467.628   27.685  497.699   18.379 -30.07083 33.23046 
1 1 1  -15   17   34 o  309.758   16.108  1930.96  158.790  1542.22  275.152  2125.07  194.435  279.426   27.860  340.089   16.176 -60.66290 32.21565 
1 1 1  -15   17   36 o  115.507   14.015  249.081   52.812  285.102   92.787  231.820   64.231  119.426   22.814  111.587   16.286 7.839394 28.03032 
1 1 1  -15   17   38 o   52.099   12.995   46.835   28.246   51.834   50.584   44.570   34.049   54.810   20.035   49.387   16.555 5.422722 25.98982 
1 1 1  -15   18    1 o  237.195   14.435  1032.51  117.111  1342.53  167.091  733.171  164.186  273.496   17.286  200.895   23.123 72.60077 28.86984 
1 1 1  -15   18    3 o   60.330   15.140   58.141   38.979   45.092   70.121   63.976   46.891   60.371   23.262   60.288   19.386 0.8338928E-01 30.28084 
1 1 1  -15   18    5 o  194.664   11.963  649.709   78.895  784.440  136.746  582.485   96.592  208.843   18.526  180.485   15.142 28.35803 23.92647 
1 1 1  -15   18    7 o  201.635   12.913  711.835   87.937  795.242  151.564  669.511  107.967  209.874   20.432  193.395   15.795 16.47911 25.82569 
1 1 1  -15   18    9 o   98.915   12.376  167.315   41.170  231.180   69.251  132.404   51.201  113.494   17.264   84.336   17.739 29.15778 24.75293 
1 1 1  -15   18   11 o  300.148   14.401  1622.47  144.048  1640.44  249.565  1613.50  176.398  300.320   23.511  299.977   16.637 0.3438416 28.80259 
1 1 1  -15   18   13 o  315.024   17.017  1808.85  189.422  1778.11  269.225  1838.99  266.561  312.241   24.395  317.806   23.731 -5.564941 34.03352 
1 1 1  -15   18   15 o  400.856   17.908  2943.70  252.921  2669.01  355.997  3223.66  359.396  381.350   26.412  420.363   24.190 -39.01355 35.81528 
1 1 1  -15   18   17 o  316.028   17.075  1825.68  190.436  1703.77  268.084  1949.86  270.568  305.061   24.864  326.994   23.411 -21.93350 34.15059 
1 1 1  -15   18   19 f  205.114   16.074  766.680  116.232  694.749  161.745  843.489  167.141  194.963   23.472  215.265   21.968 -20.30157 32.14880 
1 1 1  -15   18   21 o   99.682   16.604  195.082   56.233  150.312   99.386  216.163   68.199   89.885   28.144  109.478   17.625 -19.59378 33.20758 
1 1 1  -15   18   23 o  205.419   13.464  760.686   92.144  778.080  160.112  752.072  112.673  206.310   21.958  204.528   15.586 1.782532 26.92716 
1 1 1  -15   18   25 o   67.186   14.062   87.241   36.425   49.966   63.265  105.723   44.549   59.341   22.274   75.031   17.170 -15.69009 28.12386 
1 1 1  -15   18   27 o  171.721   14.206  555.242   80.020  495.697  137.659  585.631   98.342  163.335   23.845  180.108   15.448 -16.77249 28.41221 
1 1 1  -15   18   29 o  323.402   16.866  1966.80  189.366  1538.26  263.416  2425.14  272.418  284.922   26.157  361.882   21.298 -76.95950 33.73185 
1 1 1  -15   18   31 o  199.630   15.329  822.301   94.610  551.249  161.727  963.323  116.654  168.809   27.106  230.451   14.322 -61.64246 30.65716 
1 1 1  -15   18   33 o  159.564   13.665  494.558   71.303  426.091  121.419  530.600   88.093  148.847   23.079  170.280   14.637 -21.43280 27.32955 
1 1 1  -15   18   35 o  222.464   14.460  985.058  104.559  855.103  179.526  1051.77  128.626  206.909   24.549  238.020   15.290 -31.11044 28.92073 
1 1 1  -15   19    2 o  246.783   11.641  1084.39  101.539   0.0000   0.0000  1084.39  101.539  ?   ?   246.783   11.641      ?      ? 
1 1 1  -15   19    4 o  114.521   13.366  240.933   51.384  235.214   81.883  244.648   65.996  112.204   21.429  116.838   15.981 -4.633827 26.73204 
1 1 1  -15   19    6 o  109.388   14.664  238.515   52.609  157.038   84.056  290.985   67.454   91.243   25.222  127.533   14.965 -36.28976 29.32738 
1 1 1  -15   19    8 o  251.232   12.084  1122.39  103.188  1174.22  172.943  1093.74  128.583  255.171   19.176  247.293   14.711 7.877533 24.16878 
1 1 1  -15   19   10 o  129.006   17.564  313.784   76.808  315.705  103.438  311.423  114.675  129.854   23.398  128.159   26.200 1.694168 35.12737 
1 1 1  -15   19   12 o  125.210   23.968  295.061  102.208  295.061  102.208   0.0000   0.0000  125.210   23.968  ?   ?       ?      ? 
1 1 1  -15   19   14 o   79.987   17.387  120.212   55.534  149.876   70.907   73.149   89.314   89.027   22.519   70.947   26.498 18.07958 34.77378 
1 1 1  -15   19   16 o  191.592   14.753  683.761   93.147  615.699  159.515  718.976  114.741  183.151   24.642  200.034   16.229 -16.88326 29.50596 
1 1 1  -15   19   18 o  332.298   15.219  1997.26  169.118  2057.65  292.057  1966.79  207.433  334.463   24.706  330.133   17.777 4.329620 30.43706 
1 1 1  -15   19   20 o  162.258   15.875  512.881   80.790  416.866  138.007  562.940   99.649  147.633   27.459  176.883   15.939 -29.25005 31.74989 
1 1 1  -15   19   22 o  120.792   11.656  254.688   48.293  298.858   80.747  230.089   60.258  128.473   17.782  113.110   15.073 15.36353 23.31101 
1 1 1  -15   19   24 o  130.752   12.095  294.661   54.099  372.199   91.737  253.318   66.987  143.091   18.139  118.413   16.006 24.67755 24.19099 
1 1 1  -15   19   26 o   99.862   13.615  198.930   44.132  146.497   73.838  228.070   55.045   87.183   23.451  112.541   13.838 -25.35777 27.22929 
1 1 1  -15   19   28 o  227.387   16.113  1052.43  114.491  749.560  196.916  1207.09  140.720  196.977   28.284  257.796   15.444 -60.81886 32.22607 
1 1 1  -15   19   30 o  222.260   15.547  923.720  119.360  687.574  160.887  1212.80  178.008  189.578   24.011  254.941   19.755 -65.36316 31.09341 
1 1 1  -15   19   32 o  126.667   15.950  296.825   71.410   0.0000   0.0000  296.825   71.410  ?   ?   126.667   15.950      ?      ? 
1 1 1  -15   19   34 o  121.885   14.581  299.589   57.349  265.959   96.090  318.196   71.475  113.205   24.709  130.565   15.488 -17.36060 29.16213 
1 1 1  -15   20    1 o  186.939   22.354  637.220  147.699  637.220  147.699   0.0000   0.0000  186.939   22.354  ?   ?       ?      ? 
1 1 1  -15   20    3 o  162.028   21.713  477.708  124.345   0.0000   0.0000  477.708  124.345  ?   ?   162.028   21.713      ?      ? 
1 1 1  -15   20    9 o  365.649   25.991  2464.24  335.895   0.0000   0.0000  2464.24  335.895  ?   ?   365.649   25.991      ?      ? 
1 1 1  -15   20   11 o  219.398   22.369  878.288  173.459   0.0000   0.0000  878.288  173.459  ?   ?   219.398   22.369      ?      ? 
1 1 1  -15   20   13 o  132.385   13.176  302.431   60.172  391.910   98.953  249.930   75.797  147.148   19.026  117.622   18.232 29.52545 26.35170 
1 1 1  -15   20   15 o  154.789   15.905  464.742   78.585  377.604  130.200  514.678   98.563  140.516   27.199  169.063   16.495 -28.54666 31.80976 
1 1 1  -15   20   17 o  261.413   15.145  1279.37  130.099  1156.96  224.045  1341.65  159.801  250.032   25.352  272.795   16.574 -22.76254 30.28920 
1 1 1  -15   20   19 f  159.856   14.850  471.974   79.225  452.385  134.710  482.332   97.957  156.358   24.376  163.354   16.966 -6.996796 29.69906 
1 1 1  -15   20   21 o  205.813   14.413  833.598   94.384  619.590  161.044  945.563  116.486  182.362   24.986  229.264   14.375 -46.90134 28.82587 
1 1 1  -15   20   23 o   68.720   14.526   85.903   37.093   99.315   60.693   77.907   46.864   72.757   21.848   64.682   19.148 8.075104 29.05136 
1 1 1  -15   20   25 o  106.360   15.910  233.163   56.416  156.809   95.042  274.702   70.101   89.804   27.425  122.915   16.136 -33.11076 31.81955 
1 1 1  -15   20   27 o  272.117   15.707  1465.54  137.386  1187.17  235.967  1608.30  168.980  247.594   26.964  296.639   16.117 -49.04436 31.41397 
1 1 1  -15   20   29 o  147.647   17.059  403.564   89.021   0.0000   0.0000  403.564   89.021  ?   ?   147.647   17.059      ?      ? 
1 1 1  -15   20   31 o  214.911   13.840  903.628   98.616  800.554  164.775  961.153  123.096  202.036   23.075  227.787   15.290 -25.75043 27.68084 
1 1 1  -15   20   33 o  127.307   16.060  361.967   64.463  221.697  105.375  445.854   81.489  100.120   28.443  154.493   14.924 -54.37256 32.12004 
1 1 1  -15   21    2 o   55.255   18.875   51.268   44.270   51.268   44.270   0.0000   0.0000   55.255   18.875  ?   ?       ?      ? 
1 1 1  -15   21    4 o  125.766   20.829  329.964   91.943  398.925  113.380  197.516  157.130  147.809   21.703  103.722   35.559 44.08756 41.65892 
1 1 1  -15   21    6 o   57.371   13.342   56.657   31.384   66.969   46.015   47.687   42.915   60.999   19.159   53.743   18.574 7.256023 26.68451 
1 1 1  -15   21    8 o  300.042   16.399  1654.32  173.349  1808.97  245.811  1501.31  244.499  314.517   22.112  285.567   24.224 28.94968 32.79890 
1 1 1  -15   21   10 o  189.551   22.113  657.495  148.145   0.0000   0.0000  657.495  148.145  ?   ?   189.551   22.113      ?      ? 
1 1 1  -15   21   12 o  136.741   21.613  341.991  104.457   0.0000   0.0000  341.991  104.457  ?   ?   136.741   21.613      ?      ? 
1 1 1  -15   21   14 o  135.093   16.908  329.754   80.732   0.0000   0.0000  329.754   80.732  ?   ?   135.093   16.908      ?      ? 
1 1 1  -15   21   16 f  138.755   18.529  350.020   90.870   0.0000   0.0000  350.020   90.870  ?   ?   138.755   18.529      ?      ? 
1 1 1  -15   21   18 o  163.295   13.153  469.603   74.516  577.845  120.207  402.050   94.963  177.926   19.115  148.665   18.073 29.26131 26.30595 
1 1 1  -15   21   20 f  203.853   12.676  787.212   86.144  653.059  140.274  868.438  109.151  188.156   21.093  219.550   14.066 -31.39403 25.35294 
1 1 1  -15   21   22 o   87.631   15.122  155.758   54.632   25.288   86.114  243.639   70.675   59.742   24.801  115.519   17.310 -55.77766 30.24461 
1 1 1  -15   21   24 o  197.395   15.786  777.867   99.733  601.827  169.805  870.576  123.227  176.366   27.240  218.424   15.962 -42.05750 31.57255 
1 1 1  -15   21   26 o  229.803   14.532  1014.47  110.406  925.825  187.643  1061.42  136.544  219.244   24.215  240.361   16.073 -21.11684 29.06361 
1 1 1  -15   21   28 o  308.552   16.455  2063.59  154.295  1257.42  257.042  2517.70  192.917  247.219   29.417  369.884   14.757 -122.6654 32.91096 
1 1 1  -15   21   30 o   89.819   15.393  166.007   48.323  144.863   73.682  181.966   64.012   83.745   23.781   95.894   19.549 -12.14953 30.78526 
1 1 1  -15   22    1 o  153.409   12.756  421.387   67.989  459.667  108.244  396.444   87.375  158.786   19.287  148.032   16.700 10.75421 25.51238 
1 1 1  -15   22    3 o  134.783   14.437  339.496   64.966  322.410  103.828  350.489   83.282  130.394   23.388  139.172   16.931 -8.777725 28.87318 
1 1 1  -15   22    5 o   68.730   14.235   89.061   38.292   54.234   58.177  115.682   50.863   59.190   21.509   78.269   18.651 -19.07935 28.46943 
1 1 1  -15   22    7 o   76.859   14.854  113.040   41.679   95.353   63.472  126.448   55.263   71.982   22.484   81.735   19.417 -9.752831 29.70759 
1 1 1  -15   22    9 o  142.123   15.634  364.369   78.534   0.0000   0.0000  364.369   78.534  ?   ?   142.123   15.634      ?      ? 
1 1 1  -15   22   11 o  347.075   15.281  2232.50  176.793  2161.08  301.949  2269.76  218.084  340.446   25.094  353.704   17.445 -13.25845 30.56161 
1 1 1  -15   22   13 o  112.379   16.982  244.778   65.518  202.554   93.827  284.960   91.530  102.057   25.953  122.701   21.909 -20.64370 33.96401 
1 1 1  -15   22   15 o  140.842   15.363  366.428   76.424  385.251  109.161  348.332  107.031  144.487   21.376  137.197   22.072 7.289886 30.72611 
1 1 1  -15   22   17 o  216.359   22.638  871.546  173.118   0.0000   0.0000  871.546  173.118  ?   ?   216.359   22.638      ?      ? 
1 1 1  -15   22   19 f  120.426   22.970  279.361   94.202   0.0000   0.0000  279.361   94.202  ?   ?   120.426   22.970      ?      ? 
1 1 1  -15   22   21 o  294.555   15.525  1581.52  161.626   0.0000   0.0000  1581.52  161.626  ?   ?   294.555   15.525      ?      ? 
1 1 1  -15   22   23 o  241.105   15.779  1066.29  134.467   0.0000   0.0000  1066.29  134.467  ?   ?   241.105   15.779      ?      ? 
1 1 1  -15   22   25 o  200.409   14.889  787.125   99.469  694.939  164.219  840.547  125.011  188.054   24.707  212.764   16.624 -24.71045 29.77889 
1 1 1  -15   22   27 o  259.536   14.582  1342.88  124.570  1160.57  208.692  1443.79  155.264  240.791   24.521  278.282   15.786 -37.49147 29.16315 
1 1 1  -15   22   29 o  132.684   15.484  360.442   68.251  317.890  106.850  389.770   88.705  122.550   25.498  142.818   17.573 -20.26803 30.96734 
1 1 1  -15   23    2 o   81.284   18.076   90.539   45.762   70.481   49.853  197.926  115.352   62.361   19.983  100.206   30.127 -37.84436 36.15166 
1 1 1  -15   23    4 o   96.625   15.098  180.079   49.863  166.752   75.821  190.236   66.191   92.910   23.168  100.341   19.365 -7.431160 30.19580 
1 1 1  -15   23    6 o   50.468   11.647   44.734   24.357   31.271   36.440   55.608   32.748   46.116   16.983   54.819   15.944 -8.702923 23.29424 
1 1 1  -15   23    8 o  268.609   13.019  1329.35  118.508  1280.19  195.443  1357.94  149.030  263.301   21.001  273.916   15.393 -10.61523 26.03872 
1 1 1  -15   23   10 o  449.937   19.396  3859.79  308.404  3798.40  436.461  3921.00  435.839  446.057   27.684  453.817   27.172 -7.759613 38.79114 
1 1 1  -15   23   12 o  309.906   14.727  1837.80  149.657  1595.65  254.869  1965.23  184.887  290.861   24.792  328.952   15.902 -38.09113 29.45368 
1 1 1  -15   23   14 o   86.527   13.126  140.533   38.483  154.498   60.141  130.851   50.077   89.945   19.482   83.108   17.596 6.837509 26.25191 
1 1 1  -15   23   16 o  190.129   13.958  684.151   89.454  617.372  146.070  724.225  113.155  181.044   22.827  199.214   16.071 -18.17007 27.91693 
1 1 1  -15   23   18 o   55.496   13.035   54.222   29.950   64.228   43.823   45.453   41.026   59.041   18.716   51.950   18.149 7.091454 26.07049 
1 1 1  -15   23   20 f  151.555   15.583  437.779   83.294  470.867  118.286  405.233  117.312  157.633   21.231  145.478   22.815 12.15562 31.16539 
1 1 1  -15   23   22 o  122.604   23.363  299.763   97.544   0.0000   0.0000  299.763   97.544  ?   ?   122.604   23.363      ?      ? 
1 1 1  -15   23   24 o  197.339   23.103  768.716  161.139   0.0000   0.0000  768.716  161.139  ?   ?   197.339   23.103      ?      ? 
1 1 1  -15   23   26 o   75.002   21.557  114.692   60.183   0.0000   0.0000  114.692   60.183  ?   ?    75.002   21.557      ?      ? 
1 1 1  -15   24    1 o  138.921   13.792  360.886   65.957  345.191  104.359  371.326   85.111  135.563   21.780  142.279   16.925 -6.715439 27.58334 
1 1 1  -15   24    3 o  106.260   20.280  234.908   75.077  251.746   89.267  194.211  138.781  113.811   22.983   98.709   33.421 15.10152 40.56064 
1 1 1  -15   24    5 o  233.853   14.489  985.339  116.431  1160.74  193.682  886.085  145.695  248.687   22.035  219.018   18.821 29.66835 28.97896 
1 1 1  -15   24    7 o  105.422   13.636  209.504   48.698  230.011   73.508  193.464   65.012  109.961   19.634  100.883   18.928 9.077652 27.27215 
1 1 1  -15   24    9 o   81.904   14.189  129.081   42.436  184.171   60.858   76.946   59.204   98.591   18.133   65.218   21.830 33.37232 28.37868 
1 1 1  -15   24   11 o  181.096   13.424  601.414   83.270  637.314  137.087  580.424  104.823  184.348   21.040  177.844   16.676 6.503967 26.84715 
1 1 1  -15   24   13 o  168.061   13.489  544.493   75.295  460.929  123.932  593.384   94.796  155.795   22.507  180.328   14.873 -24.53320 26.97708 
1 1 1  -15   24   15 o  142.659   13.143  374.328   65.002  406.750  104.045  353.573   83.247  147.055   20.018  138.263   17.035 8.791733 26.28519 
1 1 1  -15   24   17 o   45.079   11.890   30.190   25.408   25.134   38.424   34.119   33.870   44.280   17.175   45.877   16.447 -1.596981 23.77966 
1 1 1  -15   24   19 o   40.866   10.633   24.603   20.223   32.409   30.206   18.263   27.224   44.100   15.561   37.633   14.496 6.466496 21.26671 
1 1 1  -15   24   21 o  109.527   15.603  245.736   57.920  205.853   90.492  273.415   75.385   98.921   25.663  120.134   17.754 -21.21288 31.20563 
1 1 1  -15   24   23 o   28.182   8.2026   4.7476   12.599   9.3090   21.498   2.3610   15.550   31.390   12.632   24.973   10.467 6.416679 16.40526 
1 1 1  -15   25    2 o  150.066   12.746  420.626   66.222  422.220  104.533  419.557   85.587  149.465   19.788  150.667   16.072 -1.202774 25.49236 
1 1 1  -15   25    4 o   59.625   16.692   48.387   39.028   50.983   41.549   28.920  113.775   53.696   18.286   65.554   27.931 -11.85802 33.38407 
1 1 1  -15   25    6 o  144.141   13.789  391.355   68.679  391.654  108.852  391.158   88.523  143.221   21.503  145.062   17.266 -1.840714 27.57719 
1 1 1  -15   25    8 o  214.639   23.051  890.768  174.873   0.0000   0.0000  890.768  174.873  ?   ?   214.639   23.051      ?      ? 
1 1 1  -15   25   10 o   48.570   11.939   39.664   26.028   20.027   39.612   54.584   34.527   43.151   17.224   53.990   16.537 -10.83876 23.87718 
1 1 1  -15   25   12 o   90.888   14.899  163.344   46.447  167.594   71.985  160.313   60.795   91.344   22.455   90.431   19.588 0.9127121 29.79769 
1 1 1  -15   25   14 o  212.085   14.344  875.563  101.560  816.771  170.107  908.126  126.599  203.455   23.656  220.716   16.228 -17.26085 28.68711 
1 1 1  -15   25   16 o   73.009   15.192  106.897   41.556  103.864   64.394  109.062   54.400   72.104   22.667   73.914   20.233 -1.809921 30.38323 
1 1 1  -15   25   18 o  103.267   14.293  212.042   50.287  201.695   77.898  219.435   65.845   99.045   22.734  107.489   17.332 -8.443893 28.58677 
1 1 1  -15   26    1 o   46.247   11.321   31.832   24.490   60.601   35.307   5.1556   33.999   56.108   16.622   36.387   15.375 19.72097 22.64297 
1 1 1  -15   26    3 o   53.029   13.019   45.742   31.148   74.849   45.806   20.707   42.482   62.027   19.055   44.032   17.744 17.99537 26.03794 
1 1 1  -15   26    5 o   78.018   14.159  121.745   39.071  122.216   58.766  121.372   52.307   77.867   20.911   78.170   19.096 -0.3032684 28.31796 
1 1 1  -15   26    7 o  146.655   22.642  425.984  117.362   0.0000   0.0000  425.984  117.362  ?   ?   146.655   22.642      ?      ? 
1 1 1  -15   26    9 o   38.329   9.8906   19.895   18.164   36.074   26.668   5.8922   24.809   44.641   14.639   32.016   13.303 12.62495 19.78117 
1 1 1  -15   26   11 o   39.188   10.403   17.957   20.277   38.310   30.715   2.2342   26.996   46.341   15.722   32.034   13.626 14.30685 20.80536 
1 1 1  -15   26   13 f   36.926   10.066   18.039   18.570   17.798   26.779   18.262   25.773   37.045   14.347   36.807   14.123 0.2371788 20.13148 
1 1 1  -14    0    2 o  811.283   17.533 11685.49  709.474 11685.49  709.474 11685.49  709.474  811.283   24.795  811.283   24.795 -0.000000 0.000000 
1 1 1  -14    0    4 o  953.051   19.721 16129.99  937.660 16129.99  937.660 16129.99  937.660  953.051   27.890  953.051   27.890 -0.000000 0.000000 
1 1 1  -14    0    6 o  562.112   14.142  5611.68  396.200  5611.68  396.200  5611.68  396.200  562.112   20.000  562.112   20.000 -0.000000 0.000000 
1 1 1  -14    0    8 o  1541.97   29.255 42326.70  2251.17 42326.70  2251.17 42326.70  2251.17  1541.97   41.373  1541.97   41.373 -0.000000 0.000000 
1 1 1  -14    0   10 f   75.752   13.226  118.252   43.354  118.252   43.354  118.252   43.354   75.752   18.704   75.752   18.704 -0.000000 0.000000 
1 1 1  -14    0   12 f  105.136   11.893  209.904   57.703  209.904   57.703  209.904   57.703  105.136   16.819  105.136   16.819 -0.000000 0.000000 
1 1 1  -14    0   14 o  134.960   11.342  335.572   73.665  335.572   73.665  335.572   73.665  134.960   16.041  134.960   16.041 -0.000000 0.000000 
1 1 1  -14    0   16 o  443.245   13.036  3494.55  287.675  3494.55  287.675  3494.55  287.675  443.245   18.435  443.245   18.435 -0.000000 0.000000 
1 1 1  -14    0   18 o  647.685   15.528  7454.74  501.402  7454.74  501.402  7454.74  501.402  647.685   21.960  647.685   21.960 -0.000000 0.000000 
1 1 1  -14    0   20 f  280.569   11.647  1407.36  162.054  1407.36  162.054  1407.36  162.054  280.569   16.472  280.569   16.472 -0.000000 0.000000 
1 1 1  -14    0   22 o  306.561   16.888  1696.87  255.172  1696.87  255.172  1696.87  255.172  306.561   23.884  306.561   23.884 -0.000000 0.000000 
1 1 1  -14    0   24 o  586.339   20.943  6168.21  610.211  6168.21  610.211  6168.21  610.211  586.339   29.617  586.339   29.617 -0.000000 0.000000 
1 1 1  -14    0   26 o  126.560   10.636  295.584   64.775  295.584   64.775  295.584   64.775  126.560   15.041  126.560   15.041 -0.000000 0.000000 
1 1 1  -14    0   28 o  962.902   28.925 16904.51  1386.44 16904.51  1386.44 16904.51  1386.44  962.902   40.906  962.902   40.906 -0.000000 0.000000 
1 1 1  -14    0   30 o  608.398   21.517  6703.54  650.595  6703.54  650.595  6703.54  650.595  608.398   30.429  608.398   30.429 -0.000000 0.000000 
1 1 1  -14    0   32 o  748.044   24.367 10207.83  906.680 10207.83  906.680 10207.83  906.680  748.044   34.460  748.044   34.460 -0.000000 0.000000 
1 1 1  -14    0   34 o  111.961   18.925  258.939   91.885  258.939   91.885  258.939   91.885  111.961   26.764  111.961   26.764 -0.000000 0.000000 
1 1 1  -14    0   36 o  997.648   30.282 18542.07  1503.72 18542.07  1503.72 18542.07  1503.72  997.648   42.825  997.648   42.825 -0.000000 0.000000 
1 1 1  -14    0   38 o  450.791   18.968  3707.57  423.943  3707.57  423.943  3707.57  423.943  450.791   26.825  450.791   26.825 -0.000000 0.000000 
1 1 1  -14    0   40 o  168.860   17.202  543.738  136.439  543.738  136.439  543.738  136.439  168.860   24.328  168.860   24.328 -0.000000 0.000000 
1 1 1  -14    0   42 o  409.100   18.496  3081.45  374.675  3081.45  374.675  3081.45  374.675  409.100   26.157  409.100   26.157 -0.000000 0.000000 
1 1 1  -14    0   44 f  663.538   23.390  8323.65  771.358  8323.65  771.358  8323.65  771.358  663.538   33.078  663.538   33.078 -0.000000 0.000000 
1 1 1  -14    0   46 o  406.046   18.846  3119.18  378.721  3119.18  378.721  3119.18  378.721  406.046   26.653  406.046   26.653 -0.000000 0.000000 
1 1 1  -14    0   48 o  414.365   19.362  3342.17  397.008  3342.17  397.008  3342.17  397.008  414.365   27.382  414.365   27.382 -0.000000 0.000000 
1 1 1  -14    1    1 o  974.889   20.032 16878.99  690.198 16673.37  976.094 17084.60  976.081  968.922   28.502  980.856   28.155 -11.93457 40.06385 
1 1 1  -14    1    3 o  1560.14   29.439 43462.35  1623.32 43593.77  2295.75 43330.93  2295.70  1562.52   41.570  1557.75   41.696 4.766235 58.87796 
1 1 1  -14    1    5 f  1264.00   24.618 28440.04  1099.77 28776.88  1555.34 28103.23  1555.28  1271.54   34.608  1256.46   35.022 15.07861 49.23661 
1 1 1  -14    1    7 f  918.354   19.140 14971.71  621.171 15286.52  878.501 14656.95  878.435  928.052   26.782  908.656   27.352 19.39575 38.28096 
1 1 1  -14    1    9 o  1245.70   24.389 27629.33  1073.55 28343.43  1518.27 26915.29  1518.20  1261.92   34.041  1229.48   34.937 32.43616 48.77871 
1 1 1  -14    1   11 o  642.708   15.337  7323.25  348.310  7504.92  492.615  7141.61  492.556  650.704   21.419  634.711   21.956 15.99304 30.67350 
1 1 1  -14    1   13 o  1933.22   36.211 67238.26  2474.08 68086.20  3498.91 66390.34  3498.86  1945.63   50.881  1920.81   51.537 24.81860 72.42179 
1 1 1  -14    1   15 o  373.864   12.208  2475.90  161.293  2528.90  228.138  2422.94  228.068  377.874   17.082  369.855   17.447 8.018524 24.41659 
1 1 1  -14    1   17 o  480.779   16.357  4102.17  262.036  4104.62  453.757  4100.95  320.964  480.536   26.716  481.021   18.879 -0.4851685 32.71342 
1 1 1  -14    1   19 o  1234.59   24.286 27243.49  1059.73 27205.70  1498.70 27281.29  1498.67  1233.72   34.370  1235.45   34.321 -1.732788 48.57188 
1 1 1  -14    1   21 o  601.012   20.965  6449.25  445.275  6308.26  629.572  6590.35  629.855  594.373   29.969  607.650   29.327 -13.27679 41.93070 
1 1 1  -14    1   23 o  282.985   13.825  1406.69  130.967  1475.31  227.203  1372.54  160.275  287.844   22.332  278.127   16.304 9.717773 27.65080 
1 1 1  -14    1   25 o  658.708   18.594  7646.38  411.089  8204.24  712.334  7367.82  503.370  675.045   29.856  642.372   22.171 32.67310 37.18764 
1 1 1  -14    1   27 o  470.554   16.333  3972.69  255.790  3971.25  443.315  3973.41  313.182  469.298   26.727  471.811   18.781 -2.512817 32.66529 
1 1 1  -14    1   29 o  898.134   24.155 14912.62  719.001 14592.73  1245.55 15072.48  880.520  884.544   39.840  911.724   27.325 -27.17932 48.31027 
1 1 1  -14    1   31 o  221.497   15.853  885.531  123.990  843.147  175.460  927.808  175.238  216.087   22.974  226.908   21.850 -10.82007 31.70526 
1 1 1  -14    1   33 o  424.949   18.389  3292.77  276.163  3238.84  390.581  3346.68  390.525  421.359   26.226  428.540   25.783 -7.181305 36.77769 
1 1 1  -14    1   35 o  524.768   20.135  5070.07  373.403  5163.07  528.236  4977.19  527.907  529.772   28.211  519.763   28.736 10.00848 40.26962 
1 1 1  -14    1   37 o  695.303   23.736  9086.26  583.209  9270.74  824.957  8901.93  824.608  702.797   33.211  687.808   33.920 14.98865 47.47162 
1 1 1  -14    1   39 o  614.072   31.357  7097.39  680.571   0.0000   0.0000  7097.39  680.571  ?   ?   614.072   31.357      ?      ? 
1 1 1  -14    1   41 o  158.891   15.856  464.517   88.825  427.495  125.495  501.685  125.741  152.292   23.315  165.490   21.497 -13.19843 31.71287 
1 1 1  -14    1   43 o  532.234   21.008  5449.33  395.181  5411.21  559.197  5487.36  558.545  530.182   29.841  534.285   29.578 -4.103149 42.01608 
1 1 1  -14    1   45 o  215.163   23.305  879.139  177.226  879.139  177.226   0.0000   0.0000  215.163   23.305  ?   ?       ?      ? 
1 1 1  -14    1   47 o   56.511   20.499   54.023   52.806   54.023   52.806   0.0000   0.0000   56.511   20.499  ?   ?       ?      ? 
1 1 1  -14    2    2 o  964.769   19.870 16536.34  677.077 17254.28  957.586 15818.58  957.477  985.821   27.483  943.717   28.706 42.10327 39.74054 
1 1 1  -14    2    4 o  806.443   17.460 11536.71  497.576 11769.89  703.734 11303.61  703.623  814.622   24.442  798.263   24.939 16.35846 34.91902 
1 1 1  -14    2    6 o  841.758   18.048 12576.17  536.639 13077.41  758.991 12075.10  758.853  858.602   25.011  824.914   26.027 33.68896 36.09642 
1 1 1  -14    2    8 o  1832.09   34.378 60212.38  2224.50 62808.90  3145.99 57616.06  3145.86  1872.19   47.543  1792.00   49.669 80.19202 68.75548 
1 1 1  -14    2   10 o  668.863   15.592  7932.38  368.498  8158.10  521.198  7706.77  521.072  678.409   21.737  659.318   22.361 19.09058 31.18451 
1 1 1  -14    2   12 o  940.513   19.503 15714.70  648.182 16071.29  916.723 15358.18  916.614  951.239   27.266  929.787   27.892 21.45172 39.00554 
1 1 1  -14    2   14 o  131.858   10.712  308.080   49.832  330.017   70.592  286.289   70.356  136.548   14.627  127.167   15.653 9.381950 21.42357 
1 1 1  -14    2   16 o  1283.86   25.079 29422.05  1137.95 29762.86  1609.33 29081.27  1609.26  1291.37   35.259  1276.35   35.673 15.02014 50.15736 
1 1 1  -14    2   18 o  828.890   17.923 12215.95  524.933 12539.64  742.425 11892.35  742.310  839.937   25.008  817.843   25.680 22.09399 35.84526 
1 1 1  -14    2   20 o  572.362   17.615  5799.00  336.686  5914.64  583.087  5741.16  412.380  576.020   28.640  568.705   20.516 7.314941 35.23012 
1 1 1  -14    2   22 o  166.695   14.964  495.204   87.680  559.558  124.838  432.553  123.175  177.467   19.903  155.923   22.351 21.54309 29.92764 
1 1 1  -14    2   24 o  431.087   15.449  3272.38  223.012  3439.42  386.707  3189.14  272.977  438.660   24.942  423.514   18.236 15.14603 30.89782 
1 1 1  -14    2   26 o  273.336   14.190  1342.39  128.602  1308.49  223.192  1359.23  157.348  270.245   23.367  276.426   16.105 -6.181335 28.37926 
1 1 1  -14    2   28 o  446.043   16.352  3616.31  241.242  3460.86  418.220  3693.82  295.326  437.381   27.054  454.706   18.376 -17.32535 32.70436 
1 1 1  -14    2   30 o  762.814   20.545 10434.05  525.688 11206.92  911.029 10048.26  643.653  780.099   33.042  745.528   24.427 34.57056 41.09043 
1 1 1  -14    2   32 o  644.714   19.225  7566.91  412.722  7649.23  715.293  7525.82  505.324  643.874   31.431  645.554   22.147 -1.680359 38.45029 
1 1 1  -14    2   34 o  177.636   16.081  577.113   99.539  469.722  141.058  683.631  140.483  160.592   24.851  194.681   20.416 -34.08836 32.16252 
1 1 1  -14    2   36 o  389.674   25.310  2776.15  348.589   0.0000   0.0000  2776.15  348.589  ?   ?   389.674   25.310      ?      ? 
1 1 1  -14    2   38 o  135.406   22.145  333.896  105.981  333.896  105.981   0.0000   0.0000  135.406   22.145  ?   ?       ?      ? 
1 1 1  -14    2   40 o  1066.98   49.597 23695.32  1870.40 23695.32  1870.40   0.0000   0.0000  1066.98   49.597  ?   ?       ?      ? 
1 1 1  -14    2   42 o  706.633   35.204  9805.81  879.232  9805.81  879.232   0.0000   0.0000  706.633   35.204  ?   ?       ?      ? 
1 1 1  -14    2   44 o   92.333   24.034  166.692   79.198  166.692   79.198   0.0000   0.0000   92.333   24.034  ?   ?       ?      ? 
1 1 1  -14    2   46 o   86.182   23.966  148.806   75.653  148.806   75.653   0.0000   0.0000   86.182   23.966  ?   ?       ?      ? 
1 1 1  -14    3    1 o  769.935   16.710 10516.01  454.580 10198.58  642.898 10833.39  642.848  758.272   23.988  781.599   23.270 -23.32788 33.42071 
1 1 1  -14    3    3 o  833.430   17.945 12325.07  528.583 12184.40  747.544 12465.73  747.516  828.654   25.524  838.205   25.232 -9.550720 35.89017 
1 1 1  -14    3    5 o  462.455   13.159  3788.76  214.989  3923.51  304.070  3654.07  304.009  470.697   18.277  454.213   18.937 16.48444 26.31850 
1 1 1  -14    3    7 f  1178.99   23.297 24740.05  970.323 25625.21  1372.31 23855.07  1372.17  1200.23   32.350  1157.75   33.533 42.47815 46.59356 
1 1 1  -14    3    9 o  686.460   16.015  8355.99  388.504  8512.75  549.483  8199.30  549.371  692.919   22.436  680.001   22.858 12.91833 32.02924 
1 1 1  -14    3   11 o  807.269   17.683 11565.94  504.497 11723.83  713.494 11408.08  713.440  812.802   24.836  801.736   25.177 11.06616 35.36557 
1 1 1  -14    3   13 o  1184.59   23.343 24995.37  977.110 25622.36  1381.91 24368.51  1381.77  1199.56   32.594  1169.62   33.425 29.94641 46.68624 
1 1 1  -14    3   15 o  1096.86   22.058 21428.83  854.855 22075.63  1209.02 20782.19  1208.88  1113.55   30.719  1080.18   31.664 33.36255 44.11630 
1 1 1  -14    3   17 o  1010.31   20.690 18177.27  738.639 18614.46  1044.66 17740.19  1044.53  1022.55   28.905  998.072   29.610 24.48236 41.37909 
1 1 1  -14    3   19 f  1101.95   27.004 21672.38  993.005 22081.75  1720.33 21467.84  1216.04  1107.13   43.964  1096.77   31.370 10.36230 54.00809 
1 1 1  -14    3   21 o   96.829   15.713  173.178   52.670  186.850   75.399  160.148   73.607  100.603   21.832   93.055   22.604 7.547928 31.42552 
1 1 1  -14    3   23 o  518.444   19.691  4811.71  360.730  4693.32  510.393  4929.88  509.906  511.986   28.205  524.902   27.485 -12.91592 39.38187 
1 1 1  -14    3   25 o  407.802   15.197  2935.12  207.435  3078.75  359.810  2863.62  253.871  414.533   24.558  401.071   17.909 13.46176 30.39462 
1 1 1  -14    3   27 o  693.560   19.199  8518.42  447.234  9240.32  775.215  8158.28  547.542  713.015   30.761  674.106   22.981 38.90808 38.39764 
1 1 1  -14    3   29 f  666.613   19.367  8025.25  430.558  8190.99  746.188  7942.52  527.169  668.856   31.564  664.369   22.450 4.486816 38.73387 
1 1 1  -14    3   31 o  628.721   19.106  7231.75  398.524  7110.74  690.748  7292.13  487.919  621.408   31.450  636.034   21.704 -14.62646 38.21244 
1 1 1  -14    3   33 o  470.793   19.239  4056.05  320.084  3976.47  453.192  4135.26  452.144  466.002   27.515  475.583   26.899 -9.581421 38.47895 
1 1 1  -14    3   35 o   85.373   15.314  136.371   46.336  152.369   67.316  121.966   63.877   90.025   21.460   80.722   21.853 9.302330 30.62808 
1 1 1  -14    3   37 o  284.047   23.476  1471.53  235.682  1471.53  235.682   0.0000   0.0000  284.047   23.476  ?   ?       ?      ? 
1 1 1  -14    3   39 o  765.368   36.431 11281.63  985.521 11281.63  985.521   0.0000   0.0000  765.368   36.431  ?   ?       ?      ? 
1 1 1  -14    3   41 o  436.616   26.835  3568.07  414.111  3568.07  414.111   0.0000   0.0000  436.616   26.835  ?   ?       ?      ? 
1 1 1  -14    3   43 o  131.951   16.660  330.170   75.909  357.701  107.923  303.214  106.790  138.817   21.996  125.086   25.029 13.73088 33.32071 
1 1 1  -14    3   45 o  168.743   23.009  541.573  137.229   0.0000   0.0000  541.573  137.229  ?   ?   168.743   23.009      ?      ? 
1 1 1  -14    3   47 o  138.172   15.405  354.389   75.230   0.0000   0.0000  354.389   75.230  ?   ?   138.172   15.405      ?      ? 
1 1 1  -14    4    2 o  488.793   13.655  4232.94  235.883  4310.94  333.671  4155.02  333.508  493.306   19.137  484.281   19.484 9.024445 27.31086 
1 1 1  -14    4    4 o  762.677   16.816 10317.37  453.280 10390.09  641.084 10244.67  640.985  765.374   23.698  759.980   23.863 5.394409 33.63129 
1 1 1  -14    4    6 o  558.606   13.794  5528.12  272.341  5509.84  385.221  5546.39  385.075  557.680   19.544  559.531   19.472 -1.851624 27.58793 
1 1 1  -14    4    8 o  117.696   10.601  245.873   43.865  276.472   62.271  215.737   61.799  124.995   14.095  110.396   15.838 14.59883 21.20209 
1 1 1  -14    4   10 o  855.206   18.455 12987.85  557.655 13352.81  788.714 12623.02  788.572  867.278   25.730  843.135   26.462 24.14288 36.90908 
1 1 1  -14    4   12 o  1101.75   22.274 21611.75  866.894 22412.72  1226.05 20811.00  1225.89  1122.31   30.908  1081.18   32.080 41.13159 44.54721 
1 1 1  -14    4   14 o  530.334   13.955  4986.50  261.490  5128.64  369.899  4844.49  369.708  537.914   19.456  522.755   20.010 15.15845 27.90908 
1 1 1  -14    4   16 o  961.068   28.176 16434.86  957.092   0.0000   0.0000 16434.86  957.092  ?   ?   961.068   28.176      ?      ? 
1 1 1  -14    4   18 o  1552.59   35.950 43287.13  1865.86 44935.21  3232.23 42463.44  2285.04  1568.45   58.306  1536.72   42.070 31.72620 71.89909 
1 1 1  -14    4   20 o  663.122   21.857  7866.83  511.533  8355.67  723.948  7379.43  722.888  683.943   29.948  642.302   31.843 41.64130 43.71322 
1 1 1  -14    4   22 o  1194.72   28.568 25514.22  1143.28 26960.30  1980.73 24791.74  1400.05  1215.30   46.113  1174.13   33.737 41.17468 57.13631 
1 1 1  -14    4   24 o  797.283   20.975 11258.17  560.897 12026.54  972.104 10874.70  686.744  815.213   33.738  779.353   24.931 35.86078 41.95020 
1 1 1  -14    4   26 o  700.635   20.312  8939.72  471.618  8686.96  817.373  9065.87  577.433  690.293   33.502  710.977   22.979 -20.68335 40.62493 
1 1 1  -14    4   28 o  337.104   14.700  2036.42  164.863  2043.07  286.214  2033.11  201.682  336.680   24.052  337.529   16.906 -0.8489685 29.39918 
1 1 1  -14    4   30 o  600.992   21.525  6623.29  457.192  6526.48  646.977  6719.86  646.157  596.425   30.691  605.558   30.190 -9.132202 43.05086 
1 1 1  -14    4   32 o  803.890   25.792 12123.09  732.600 12470.61  1036.66 11776.38  1035.44  816.078   35.941  791.702   37.004 24.37567 51.58488 
1 1 1  -14    4   34 o  1139.99   34.867 25816.18  1403.23 27112.42  1985.22 24521.90  1983.71  1172.08   47.921  1107.90   50.659 64.18628 69.73402 
1 1 1  -14    4   36 o  272.425   16.126  1349.75  155.057  1436.70  220.216  1264.25  218.363  281.348   22.145  263.503   23.446 17.84494 32.25135 
1 1 1  -14    4   38 o  177.678   22.419  575.896  140.789  575.896  140.789   0.0000   0.0000  177.678   22.419  ?   ?       ?      ? 
1 1 1  -14    4   40 o  310.110   17.294  1780.98  188.676  1595.36  267.245  1965.44  266.412  293.206   25.788  327.014   23.050 -33.80826 34.58771 
1 1 1  -14    4   42 o   73.951   15.998  102.232   45.646  100.768   67.240  103.483   62.166   73.724   23.160   74.178   22.075 -0.4540253 31.99511 
1 1 1  -14    4   44 o  151.367   17.303  443.022   89.668  397.366  129.730  484.786  124.077  141.852   26.859  160.881   21.821 -19.02863 34.60540 
1 1 1  -14    4   46 o  254.225   13.520  1195.33  114.589  1291.73  200.746  1148.74  139.558  259.172   21.915  249.278   15.840 9.893677 27.04003 
1 1 1  -14    4   48 o   45.648   14.778   38.305   27.214   0.0000   0.0000   38.305   27.214  ?   ?    45.648   14.778      ?      ? 
1 1 1  -14    5    1 o  374.497   12.481  2484.81  165.111  2391.36  233.578  2578.14  233.427  367.442   17.986  381.553   17.309 -14.11154 24.96168 
1 1 1  -14    5    3 o  558.480   14.386  5528.11  283.917  5420.60  401.569  5635.57  401.471  553.035   20.544  563.925   20.142 -10.89056 28.77114 
1 1 1  -14    5    5 o  1316.03   25.597 30881.54  1190.55 31319.95  1683.74 30443.18  1683.63  1325.45   35.941  1306.60   36.457 18.84888 51.19461 
1 1 1  -14    5    7 o  499.419   13.954  4422.14  246.083  4642.94  348.156  4201.70  347.873  511.918   19.242  486.921   20.213 24.99619 27.90782 
1 1 1  -14    5    9 o  1098.19   22.084 21465.79  856.761 22228.88  1211.73 20702.92  1211.56  1117.85   30.669  1078.54   31.783 39.31262 44.16708 
1 1 1  -14    5   11 o  520.190   16.437  4724.30  286.842  5043.40  497.438  4565.34  351.093  532.835   26.413  507.544   19.572 25.29071 32.87434 
1 1 1  -14    5   13 o  540.123   16.469  5061.72  299.141  5550.12  518.946  4818.67  366.082  558.883   26.271  521.363   19.866 37.52039 32.93705 
1 1 1  -14    5   15 o  752.177   19.749  9850.73  499.498 10759.67  865.899  9397.43  611.496  776.925   31.533  727.429   23.784 49.49561 39.49706 
1 1 1  -14    5   17 o  1178.10   27.937 24604.07  1102.22 25849.34  1909.67 23981.97  1349.75  1197.47   45.120  1158.74   32.957 38.73499 55.87488 
1 1 1  -14    5   19 o  701.301   32.423  8798.66  803.681   0.0000   0.0000  8798.66  803.681  ?   ?   701.301   32.423      ?      ? 
1 1 1  -14    5   21 o  754.940   20.973 10245.19  525.917 10077.35  911.495 10328.94  643.909  748.592   34.450  761.288   23.931 -12.69629 41.94616 
1 1 1  -14    5   23 o  955.094   28.570 16646.65  964.348 16930.76  1364.15 16362.84  1363.44  963.498   40.058  946.691   40.748 16.80743 57.14070 
1 1 1  -14    5   25 o  445.458   18.525  3570.86  291.665  3577.31  412.951  3564.43  412.004  445.858   26.205  445.059   26.192 0.7994385 37.04995 
1 1 1  -14    5   27 o  471.385   18.878  4020.31  314.361  4170.46  445.054  3870.81  444.095  480.366   26.213  462.405   27.173 17.96152 37.75563 
1 1 1  -14    5   29 o  403.961   18.117  2958.32  258.576  2876.16  366.224  3040.00  365.143  398.208   26.021  409.714   25.215 -11.50583 36.23363 
1 1 1  -14    5   31 f  306.922   16.678  1706.10  180.920  1726.91  256.522  1685.51  255.201  308.811   23.502  305.034   23.671 3.776459 33.35676 
1 1 1  -14    5   33 o  401.004   15.860  2940.98  210.218  2828.31  364.999  2996.90  257.150  393.399   26.251  408.609   17.806 -15.21066 31.71957 
1 1 1  -14    5   35 o  433.211   15.747  3372.24  227.778  3505.56  395.631  3306.14  278.581  437.765   25.570  428.656   18.387 9.109253 31.49475 
1 1 1  -14    5   37 o  210.889   15.463  811.276  114.382  934.196  163.205  692.614  160.354  227.041   20.338  194.738   23.297 32.30287 30.92587 
1 1 1  -14    5   39 o  177.648   13.723  576.332   79.931  562.190  141.399  582.974   96.898  175.144   22.842  180.151   15.218 -5.006866 27.44697 
1 1 1  -14    5   41 o  219.412   16.661  897.722  127.831  757.127  181.318  1036.66  180.247  201.358   25.477  237.466   21.476 -36.10757 33.32103 
1 1 1  -14    5   43 o  426.777   18.502  3343.03  279.084   0.0000   0.0000  3343.03  279.084  ?   ?   426.777   18.502      ?      ? 
1 1 1  -14    5   45 o  213.884   14.188  874.236   98.611  820.020  174.302  899.757  119.589  206.210   23.915  221.557   15.272 -15.34752 28.37526 
1 1 1  -14    5   47 o  157.886   14.469  461.910   80.742   0.0000   0.0000  461.910   80.742  ?   ?   157.886   14.469      ?      ? 
1 1 1  -14    6    2 o  882.889   18.558 13845.46  579.105 13946.54  819.104 13744.45  818.853  886.127   26.153  879.652   26.338 6.474792 37.11668 
1 1 1  -14    6    4 o  2354.63   55.470 102918.50  4326.46 100479.10  7494.08 104138.00  5298.67  2315.41   91.573  2393.85   62.625 -78.43213 110.9397 
1 1 1  -14    6    6 o  1455.79   34.832 38296.60  1683.57 37554.86  2916.49 38667.29  2061.77  1440.74   57.274  1470.84   39.660 -30.09875 69.66498 
1 1 1  -14    6    8 f  1098.27   26.906 21506.25  984.912 21666.49  1706.36 21426.19  1206.11  1099.39   43.914  1097.16   31.103 2.235229 53.81245 
1 1 1  -14    6   10 o  1407.49   34.559 36133.76  1607.17 34265.91  2784.06 37067.31  1968.24  1375.05   57.285  1439.93   38.674 -64.88123 69.11745 
1 1 1  -14    6   12 o  1433.43   34.126 37050.28  1626.96 36835.89  2818.46 37157.41  1992.44  1425.76   55.930  1441.11   39.117 -15.35376 68.25196 
1 1 1  -14    6   14 o  759.715   21.102 10354.55  531.797 10068.87  921.830 10497.05  651.058  750.724   34.742  768.706   23.963 -17.98212 42.20431 
1 1 1  -14    6   16 o  720.033   20.662  9335.83  492.612  8959.87  853.870  9523.38  603.098  707.951   34.125  732.115   23.307 -24.16400 41.32448 
1 1 1  -14    6   18 o  222.764   16.195  879.679  127.510   0.0000   0.0000  879.679  127.510  ?   ?   222.764   16.195      ?      ? 
1 1 1  -14    6   20 o  403.939   15.464  2902.14  207.798  2908.39  361.038  2899.04  254.105  403.789   25.298  404.089   17.792 -0.3002625 30.92745 
1 1 1  -14    6   22 o  243.596   15.648  1060.00  134.277  1167.60  191.006  954.865  188.807  255.937   21.115  231.255   23.100 24.68179 31.29610 
1 1 1  -14    6   24 o  444.861   18.636  3560.67  292.920  3464.30  414.800  3656.54  413.705  438.737   26.749  450.985   25.954 -12.24768 37.27139 
1 1 1  -14    6   26 o  231.626   16.453  968.783  133.910  855.642  190.266  1079.83  188.501  217.915   24.703  245.337   21.739 -27.42206 32.90612 
1 1 1  -14    6   28 o   63.088   13.088   66.886   32.220  106.104   49.424   37.900   42.491   75.517   18.632   50.659   18.386 24.85760 26.17643 
1 1 1  -14    6   30 o  531.179   20.192  5163.42  379.086  5150.58  536.859  5176.18  535.360  530.471   28.634  531.887   28.478 -1.416321 40.38413 
1 1 1  -14    6   32 o  242.426   14.206  1071.14  113.452  1023.83  198.049  1094.24  138.413  237.515   23.592  247.337   15.833 -9.821808 28.41237 
1 1 1  -14    6   34 o  548.831   17.832  5512.12  324.796  5466.71  563.716  5534.69  397.387  544.010   29.318  553.653   20.307 -9.642700 35.66419 
1 1 1  -14    6   36 o  174.542   16.520  607.524   86.701  456.916  154.398  676.888  104.781  154.702   29.310  194.381   15.251 -39.67929 33.04090 
1 1 1  -14    6   38 o  374.257   17.539  2527.07  232.003   0.0000   0.0000  2527.07  232.003  ?   ?   374.257   17.539      ?      ? 
1 1 1  -14    6   40 o  298.302   14.575  1618.41  143.762  1653.06  253.133  1601.91  174.664  298.878   23.963  297.726   16.598 1.152679 29.14988 
1 1 1  -14    6   42 o  234.926   16.981  1035.67  140.628  987.290  202.784  1080.49  195.189  229.048   25.049  240.805   22.933 -11.75662 33.96152 
1 1 1  -14    6   44 o  409.853   18.245  3108.39  264.291   0.0000   0.0000  3108.39  264.291  ?   ?   409.853   18.245      ?      ? 
1 1 1  -14    6   46 o  239.872   15.560  1067.75  131.920   0.0000   0.0000  1067.75  131.920  ?   ?   239.872   15.560      ?      ? 
1 1 1  -14    7    1 o  324.211   15.476  1918.88  164.306  1715.52  285.187  2019.92  201.021  310.725   25.968  337.696   16.842 -26.97119 30.95121 
1 1 1  -14    7    3 o  672.536   21.255  8450.26  462.267  6992.98  800.950  9178.13  566.060  625.817   36.211  719.255   22.267 -93.43787 42.50924 
1 1 1  -14    7    5 o  522.166   19.673  5204.83  326.815  3954.68  566.462  5828.57  400.123  470.914   34.034  573.418   19.742 -102.5041 39.34535 
1 1 1  -14    7    7 o  1089.00   25.506 20789.85  932.829 22400.20  1616.41 19985.73  1142.23  1118.46   40.889  1059.54   30.501 58.91577 51.01236 
1 1 1  -14    7    9 o  1253.54   30.184 28084.73  1261.80 28470.18  2186.13 27892.17  1545.16  1256.97   49.208  1250.12   34.970 6.848267 60.36826 
1 1 1  -14    7   11 o  662.535   19.878  7913.27  435.410  7511.83  754.815  8113.46  533.033  648.945   32.909  676.126   22.305 -27.18127 39.75570 
1 1 1  -14    7   13 f  1259.79   30.526 28553.93  1279.83 28517.97  2217.30 28571.90  1567.26  1255.45   49.969  1264.12   35.078 -8.671753 61.05239 
1 1 1  -14    7   15 o  805.939   25.024 11626.34  712.804 11651.81  1008.85 11600.96  1007.26  806.823   35.378  805.054   35.399 1.768921 50.04702 
1 1 1  -14    7   17 o  623.237   21.782  6950.85  479.117  6528.37  678.117  7371.98  677.034  604.083   31.761  642.391   29.819 -38.30853 43.56482 
1 1 1  -14    7   21 o  757.777   24.286 10380.97  650.446 10368.37  920.422 10393.55  919.318  757.297   34.388  758.258   34.303 -0.9609985 48.57138 
1 1 1  -14    7   23 o  378.675   17.327  2573.85  231.663  2716.16  328.561  2433.16  326.689  389.231   23.883  368.119   25.109 21.11221 34.65328 
1 1 1  -14    7   25 o  481.535   19.125  4192.56  325.484  4243.35  461.047  4142.09  459.564  484.491   26.924  478.578   27.169 5.913696 38.24990 
1 1 1  -14    7   27 o  782.324   21.952 11251.92  569.361 11045.09  987.125 11355.03  696.983  772.094   36.173  792.555   24.881 -20.46167 43.90384 
1 1 1  -14    7   29 o  676.135   22.901  8441.48  547.219  8583.93  774.911  8299.79  772.861  682.039   32.146  670.230   32.626 11.80969 45.80141 
1 1 1  -14    7   31 o   73.239   13.040   87.559   29.958  129.177   61.787   74.768   34.253   83.042   21.029   63.436   15.426 19.60559 26.08058 
1 1 1  -14    7   33 o  162.058   13.632  468.486   72.391  485.442  130.296  460.916   87.065  163.597   22.534  160.520   15.346 3.077621 27.26306 
1 1 1  -14    7   35 f  614.817   21.393  7031.95  463.798  7582.03  657.371  6486.74  654.458  639.949   29.063  589.685   31.401 50.26367 42.78656 
1 1 1  -14    7   37 o  280.522   13.405  1370.28  125.984  1591.41  222.464  1265.88  152.859  295.713   21.285  265.332   16.300 30.38058 26.80899 
1 1 1  -14    7   39 o  382.221   13.358  2540.44  171.457  3016.51  302.329  2314.73  208.172  406.251   21.056  358.191   16.443 48.05914 26.71544 
1 1 1  -14    7   41 o  453.565   14.996  3714.56  240.401   0.0000   0.0000  3714.56  240.401  ?   ?   453.565   14.996      ?      ? 
1 1 1  -14    7   43 o  118.515   11.374  252.348   47.645   0.0000   0.0000  252.348   47.645  ?   ?   118.515   11.374      ?      ? 
1 1 1  -14    7   45 o  309.142   16.556  1775.13  180.895   0.0000   0.0000  1775.13  180.895  ?   ?   309.142   16.556      ?      ? 
1 1 1  -14    7   47 o  248.436   15.783  1161.78  138.584   0.0000   0.0000  1161.78  138.584  ?   ?   248.436   15.783      ?      ? 
1 1 1  -14    8    2 o  341.515   15.129  2121.10  169.571  1926.24  294.464  2217.78  207.415  329.210   25.307  353.820   16.586 -24.60999 30.25775 
1 1 1  -14    8    4 o  710.839   20.672  9144.24  484.927  8569.73  840.565  9430.83  593.684  692.837   34.326  728.840   23.046 -36.00238 41.34480 
1 1 1  -14    8    6 o  1091.20   27.416 21605.00  988.748 20481.75  1713.02 22166.17  1210.80  1067.02   45.423  1115.38   30.713 -48.36572 54.83189 
1 1 1  -14    8    8 o  175.096   15.631  569.444   88.216  479.611  154.705  612.726  107.384  164.214   26.655  185.979   16.336 -21.76582 31.26270 
1 1 1  -14    8   10 o  453.908   14.413  3558.58  220.212  3968.86  382.545  3355.25  269.307  472.722   22.896  435.095   17.512 37.62720 28.82538 
1 1 1  -14    8   12 o  247.307   16.068  1086.48  140.434  1080.39  199.872  1092.43  197.358  246.610   22.931  248.004   22.515 -1.394257 32.13662 
1 1 1  -14    8   14 o  693.161   22.687  8588.97  555.697  8799.77  786.390  8378.73  785.361  701.749   31.706  684.573   32.459 17.17554 45.37404 
1 1 1  -14    8   16 o  949.679   28.162 16265.95  945.160 16549.09  1337.17 15983.25  1336.15  958.100   39.487  941.258   40.163 16.84277 56.32314 
1 1 1  -14    8   18 o  376.946   24.843  2535.48  330.975  2535.48  330.975   0.0000   0.0000  376.946   24.843  ?   ?       ?      ? 
1 1 1  -14    8   20 o  430.714   16.085  3327.49  229.792  3269.19  399.375  3356.34  280.958  427.095   26.457  434.333   18.302 -7.237762 32.17019 
1 1 1  -14    8   22 o  570.588   17.539  5786.49  334.445  6025.54  580.677  5667.83  409.117  577.919   28.428  563.258   20.550 14.66089 35.07813 
1 1 1  -14    8   24 o  823.618   21.640 12157.17  597.126 12933.69  1035.40 11770.20  730.923  839.466   34.897  807.770   25.601 31.69562 43.28064 
1 1 1  -14    8   26 o  202.274   13.655  722.841   91.844  762.939  161.598  703.709  111.625  205.920   22.203  198.629   15.900 7.291290 27.30929 
1 1 1  -14    8   28 o  658.478   19.003  7824.62  417.871  8119.95  724.982  7677.69  511.360  664.582   30.864  652.374   22.177 12.20862 38.00592 
1 1 1  -14    8   30 o  501.211   17.160  4579.51  285.080  4512.00  495.452  4612.93  348.560  496.026   28.260  506.396   19.475 -10.37057 34.32064 
1 1 1  -14    8   32 o  524.875   19.849  4967.04  368.221   0.0000   0.0000  4967.04  368.221  ?   ?   524.875   19.849      ?      ? 
1 1 1  -14    8   34 o  478.697   19.141  4214.14  323.728  4363.77  459.739  4066.99  455.926  487.386   26.688  470.007   27.445 17.37894 38.28193 
1 1 1  -14    8   36 o   49.928   12.879   15.972   18.919   83.514   63.898   9.4825   19.807   68.866   22.664   30.989   12.239 37.87654 25.75798 
1 1 1  -14    8   38 o  130.939   10.632  241.273   39.126  432.189   98.598  205.590   42.626  154.523   18.053  107.356   11.234 47.16620 21.26318 
1 1 1  -14    8   40 o  257.875   13.743  1190.10  105.508  1264.98  221.594  1168.14  119.981  260.715   24.048  255.035   13.310 5.680130 27.48555 
1 1 1  -14    8   42 o  218.143   12.609  831.283   81.910  952.997  174.998  797.137   92.691  225.842   21.923  210.445   12.462 15.39662 25.21764 
1 1 1  -14    8   44 o  290.420   15.624  1703.87  129.443  1437.14  267.218  1785.65  147.962  267.668   28.245  313.172   13.367 -45.50354 31.24891 
1 1 1  -14    8   46 o  230.162   16.047  994.294  130.544   0.0000   0.0000  994.294  130.544  ?   ?   230.162   16.047      ?      ? 
1 1 1  -14    9    1 o  539.500   19.640  5163.65  374.507   0.0000   0.0000  5163.65  374.507  ?   ?   539.500   19.640      ?      ? 
1 1 1  -14    9    3 o  293.255   16.468  1625.87  154.523  1279.74  268.461  1797.36  188.964  268.040   28.337  318.470   16.788 -50.42953 32.93686 
1 1 1  -14    9    5 o  794.364   23.806 11773.47  613.427  9937.87  1062.90 12690.20  751.145  743.949   40.423  844.779   25.157 -100.8297 47.61197 
1 1 1  -14    9    7 o  417.594   16.737  3173.72  229.443  2890.11  398.459  3314.41  280.639  402.840   27.985  432.348   18.365 -29.50739 33.47326 
1 1 1  -14    9    9 o  542.979   20.002  5252.71  383.851  5295.59  543.148  5209.92  542.547  545.209   28.186  540.750   28.387 4.459045 40.00351 
1 1 1  -14    9   11 o  742.670   23.876  9874.66  626.241  9439.00  885.816 10309.96  885.460  726.078   34.518  759.262   32.996 -33.18433 47.75121 
1 1 1  -14    9   13 o  380.750   17.689  2583.82  237.793  2453.59  336.945  2713.06  335.640  371.104   25.689  390.396   24.325 -19.29221 35.37800 
1 1 1  -14    9   15 o  716.041   23.180  9200.53  586.475  9465.30  829.958  8936.48  828.845  726.481   32.323  705.601   33.235 20.88074 46.36088 
1 1 1  -14    9   19 o  253.307   16.410  1149.13  146.613  1074.29  208.567  1222.24  206.139  245.027   24.083  261.587   22.296 -16.56013 32.81921 
1 1 1  -14    9   21 o  758.561   24.369 10494.16  653.235 10737.02  924.364 10251.87  923.266  767.594   34.072  749.528   34.851 18.06628 48.73890 
1 1 1  -14    9   23 o  460.135   18.835  3827.00  306.323  3847.36  433.917  3806.76  432.499  461.366   26.610  458.904   26.665 2.462097 37.67096 
1 1 1  -14    9   25 o  171.379   15.675  528.344   94.928  535.172  135.900  521.838  132.655  172.442   22.297  170.316   22.037 2.126129 31.34963 
1 1 1  -14    9   27 o  466.572   18.904  3963.43  311.674  4073.44  442.079  3854.70  439.481  473.162   26.434  459.981   27.032 13.18137 37.80889 
1 1 1  -14    9   29 o  621.933   21.617  7140.23  474.552  7563.66  672.259  6719.67  669.982  641.084   29.669  602.781   31.447 38.30237 43.23395 
1 1 1  -14    9   31 o  493.199   19.466  4464.76  339.263  4574.38  481.367  4356.56  478.230  499.384   27.272  487.013   27.783 12.37122 38.93150 
1 1 1  -14    9   33 o  356.327   17.291  2316.58  217.663  2417.89  310.732  2218.99  304.991  364.114   24.145  348.539   24.758 15.57535 34.58239 
1 1 1  -14    9   35 o  319.704   14.091  1842.06  148.740  1878.23  262.813  1825.01  180.413  320.618   23.192  318.791   16.012 1.826904 28.18248 
1 1 1  -14    9   37 o  146.006   14.519  373.865   66.836  420.830  130.738  357.248   77.767  151.070   24.485  140.942   15.611 10.12794 29.03845 
1 1 1  -14    9   39 o  225.018   13.789  912.481  100.847  956.913  184.396  893.520  120.458  227.473   22.935  222.564   15.313 4.908310 27.57737 
1 1 1  -14    9   41 o  341.872   14.118  2111.85  170.588   0.0000   0.0000  2111.85  170.588  ?   ?   341.872   14.118      ?      ? 
1 1 1  -14    9   43 o  233.308   12.114  983.995   99.893   0.0000   0.0000  983.995   99.893  ?   ?   233.308   12.114      ?      ? 
1 1 1  -14    9   45 o  206.010   23.275  841.106  169.474   0.0000   0.0000  841.106  169.474  ?   ?   206.010   23.275      ?      ? 
1 1 1  -14   10    2 f  521.138   27.706  4843.19  510.320   0.0000   0.0000  4843.19  510.320  ?   ?   521.138   27.706      ?      ? 
1 1 1  -14   10    6 o  329.594   23.843  1932.41  277.752   0.0000   0.0000  1932.41  277.752  ?   ?   329.594   23.843      ?      ? 
1 1 1  -14   10    8 o  602.678   29.826  6487.57  635.321   0.0000   0.0000  6487.57  635.321  ?   ?   602.678   29.826      ?      ? 
1 1 1  -14   10   10 o  581.213   20.891  6047.02  427.989  5539.65  605.433  6553.84  605.104  556.526   30.779  605.899   28.256 -49.37354 41.78240 
1 1 1  -14   10   12 o  703.041   23.212  8879.61  575.524  8214.86  814.054  9543.90  813.775  676.296   34.056  729.786   31.549 -53.48944 46.42389 
1 1 1  -14   10   14 o  127.934   16.231  299.598   70.818  370.688  100.978  230.789   99.344  144.375   19.789  111.493   25.732 32.88182 32.46139 
1 1 1  -14   10   16 o  151.447   21.993  409.110  117.725   0.0000   0.0000  409.110  117.725  ?   ?   151.447   21.993      ?      ? 
1 1 1  -14   10   18 o  291.370   16.407  1519.49  168.848  1591.50  239.837  1448.73  237.751  298.285   22.749  284.454   23.648 13.83148 32.81368 
1 1 1  -14   10   20 o  935.002   28.724 16178.41  948.888 15705.05  1342.38 16651.15  1341.49  920.673   41.252  949.331   39.981 -28.65778 57.44733 
1 1 1  -14   10   22 o  149.238   15.731  410.767   78.098  546.835  112.744  285.250  108.285  174.946   18.233  123.530   25.641 51.41661 31.46278 
1 1 1  -14   10   24 o   56.388   14.152   48.328   36.963   12.709   59.455   70.770   47.192   49.930   20.658   62.846   19.347 -12.91597 28.30323 
1 1 1  -14   10   26 o  483.639   19.158  4264.24  327.257  4453.76  463.936  4076.54  461.694  494.637   26.537  472.642   27.638 21.99448 38.31520 
1 1 1  -14   10   28 o  407.860   25.798  3031.98  371.898  3031.98  371.898   0.0000   0.0000  407.860   25.798  ?   ?       ?      ? 
1 1 1  -14   10   30 o  433.686   26.464  3442.53  405.649  3442.53  405.649   0.0000   0.0000  433.686   26.464  ?   ?       ?      ? 
1 1 1  -14   10   32 f  148.707   16.980  410.817   86.476  385.383  127.994  432.177  117.297  142.969   26.299  154.445   21.488 -11.47627 33.96094 
1 1 1  -14   10   34 o  343.743   13.354  2054.68  153.724  2385.55  271.714  1898.93  186.428  362.349   21.216  325.138   16.223 37.21109 26.70766 
1 1 1  -14   10   36 o   64.777   16.178   78.454   36.928   0.0000   0.0000   78.454   36.928  ?   ?    64.777   16.178      ?      ? 
1 1 1  -14   10   38 f  110.287   17.123  241.828   55.464  203.776  120.585  252.038   62.463  102.283   30.814  118.292   14.940 -16.00956 34.24516 
1 1 1  -14   10   40 o  351.863   13.797  2163.22  161.422  2624.42  291.465  1959.17  193.871  375.693   21.950  328.033   16.721 47.66016 27.59360 
1 1 1  -14   10   42 o  262.403   13.903  1220.23  119.787  1469.96  221.166  1116.56  142.498  278.246   22.489  246.559   16.352 31.68726 27.80532 
1 1 1  -14   10   44 o   89.738   22.620  163.220   71.720   0.0000   0.0000  163.220   71.720  ?   ?    89.738   22.620      ?      ? 
1 1 1  -14   11    1 o  264.819   23.048  1249.26  215.723  1249.26  215.723   0.0000   0.0000  264.819   23.048  ?   ?       ?      ? 
1 1 1  -14   11    3 o  312.618   23.695  1741.04  261.808  1741.04  261.808   0.0000   0.0000  312.618   23.695  ?   ?       ?      ? 
1 1 1  -14   11   11 o  144.995   22.287  374.621  114.214   0.0000   0.0000  374.621  114.214  ?   ?   144.995   22.287      ?      ? 
1 1 1  -14   11   13 o  759.541   34.373 10424.62  922.762   0.0000   0.0000 10424.62  922.762  ?   ?   759.541   34.373      ?      ? 
1 1 1  -14   11   15 o  496.933   27.365  4436.77  480.635   0.0000   0.0000  4436.77  480.635  ?   ?   496.933   27.365      ?      ? 
1 1 1  -14   11   17 o  424.727   18.329  3244.64  275.082  3169.31  389.529  3319.58  388.523  419.712   26.258  429.741   25.579 -10.02896 36.65791 
1 1 1  -14   11   19 o  153.548   21.980  422.790  119.286   0.0000   0.0000  422.790  119.286  ?   ?   153.548   21.980      ?      ? 
1 1 1  -14   11   21 o  235.902   16.035  1000.92  133.696  1000.03  189.709  1001.81  188.447  235.782   22.764  236.023   22.590 -0.2415924 32.07062 
1 1 1  -14   11   23 o  269.206   16.120  1319.17  150.539  1618.29  214.184  1027.14  211.628  300.239   20.184  238.173   25.140 62.06592 32.23949 
1 1 1  -14   11   25 f  211.326   15.983  806.956  119.339  796.450  170.296  817.093  167.285  209.902   22.954  212.750   22.247 -2.847397 31.96605 
1 1 1  -14   11   27 o  425.056   18.633  3299.82  279.757  3184.07  396.704  3414.33  394.576  417.355   26.893  432.757   25.797 -15.40213 37.26546 
1 1 1  -14   11   29 o  743.499   20.149  9985.83  502.233 10783.90  871.745  9589.33  614.456  760.955   32.412  726.043   23.945 34.91235 40.29768 
1 1 1  -14   11   31 o  148.889   15.602  396.979   82.102   0.0000   0.0000  396.979   82.102  ?   ?   148.889   15.602      ?      ? 
1 1 1  -14   11   33 o   87.901   17.088  150.751   49.577  115.271  106.666  160.528   55.992   82.863   29.241   92.939   17.692 -10.07666 34.17678 
1 1 1  -14   11   35 o  170.486   21.821  530.954  131.487   0.0000   0.0000  530.954  131.487  ?   ?   170.486   21.821      ?      ? 
1 1 1  -14   11   37 o  264.775   16.338  1266.98  152.897   0.0000   0.0000  1266.98  152.897  ?   ?   264.775   16.338      ?      ? 
1 1 1  -14   11   39 o  531.369   14.814  4852.15  265.928  6564.02  468.331  4037.56  323.060  594.063   22.305  468.675   19.503 125.3875 29.62867 
1 1 1  -14   11   41 o  120.518   15.937  263.643   57.385  312.822  118.310  248.514   65.620  124.521   27.606  116.515   15.934 8.005592 31.87486 
1 1 1  -14   11   43 o  233.137   15.754  1008.48  129.812   0.0000   0.0000  1008.48  129.812  ?   ?   233.137   15.754      ?      ? 
1 1 1  -14   12    2 o  341.457   17.134  2084.84  206.582  1982.15  292.297  2187.33  292.006  332.954   24.838  349.960   23.608 -17.00562 34.26744 
1 1 1  -14   12    4 o  275.362   16.339  1354.27  158.819  1276.16  224.580  1432.42  224.628  267.334   23.768  283.389   22.427 -16.05460 32.67839 
1 1 1  -14   12    6 o  270.639   23.122  1307.24  221.177  1307.24  221.177   0.0000   0.0000  270.639   23.122  ?   ?       ?      ? 
1 1 1  -14   12    8 o  802.982   35.714 11675.13  1013.58 11675.13  1013.58   0.0000   0.0000  802.982   35.714  ?   ?       ?      ? 
1 1 1  -14   12   20 o  233.729   22.693  983.481  187.468   0.0000   0.0000  983.481  187.468  ?   ?   233.729   22.693      ?      ? 
1 1 1  -14   12   22 o  651.063   31.801  7797.82  731.790   0.0000   0.0000  7797.82  731.790  ?   ?   651.063   31.801      ?      ? 
1 1 1  -14   12   24 o  181.554   15.792  594.855  101.281  621.772  145.717  569.698  140.873  185.543   22.220  177.564   22.447 7.978790 31.58450 
1 1 1  -14   12   26 o  531.635   16.319  5016.02  290.998  5464.73  506.177  4794.51  355.645  547.113   26.176  516.157   19.495 30.95605 32.63780 
1 1 1  -14   12   28 o  388.385   18.031  2710.49  247.510   0.0000   0.0000  2710.49  247.510  ?   ?   388.385   18.031      ?      ? 
1 1 1  -14   12   30 o  272.841   23.046  1354.10  222.238   0.0000   0.0000  1354.10  222.238  ?   ?   272.841   23.046      ?      ? 
1 1 1  -14   12   32 f  151.924   11.573  376.272   56.995  515.124  110.220  325.593   66.588  168.935   18.460  134.913   13.964 34.02216 23.14651 
1 1 1  -14   12   34 o  269.706   13.867  1303.64  123.391  1368.27  219.809  1273.90  149.100  273.284   22.757  266.128   15.851 7.156494 27.73330 
1 1 1  -14   12   36 o  461.422   14.873  3734.59  231.245  4469.50  405.029  3379.19  281.664  491.745   23.304  431.100   18.486 60.64417 29.74528 
1 1 1  -14   12   38 f  313.566   13.612  1735.73  142.442  2017.38  253.396  1605.62  172.230  329.844   21.736  297.288   16.391 32.55618 27.22324 
1 1 1  -14   12   40 o  282.694   12.333  1352.14  116.961  1880.47  209.987  1114.50  140.829  318.656   18.644  246.731   16.149 71.92485 24.66590 
1 1 1  -14   12   42 o  149.016   12.097  368.180   58.769  546.765  113.105  302.135   68.783  170.131   18.810  127.902   15.215 42.22861 24.19312 
1 1 1  -14   13    1 o  412.544   17.803  3077.75  256.376  2523.60  361.695  3637.29  363.453  374.370   27.335  450.718   22.815 -76.34781 35.60534 
1 1 1  -14   13    3 o  200.870   16.318  733.104  113.068  551.100  159.711  915.986  160.096  175.175   25.795  226.564   19.993 -51.38916 32.63584 
1 1 1  -14   13    5 f  331.214   17.027  1983.25  196.404  1596.12  277.325  2372.79  278.191  298.048   26.326  364.379   21.601 -66.33109 34.05359 
1 1 1  -14   13    7 o  668.899   22.630  8109.98  534.601  7749.24  756.131  8470.54  755.949  653.643   32.729  684.156   31.262 -30.51318 45.26060 
1 1 1  -14   13    9 o  229.275   16.428  948.787  131.705  794.547  186.788  1101.29  185.735  210.339   25.125  248.210   21.172 -37.87091 32.85587 
1 1 1  -14   13   11 o  259.082   16.337  1205.59  149.246  1112.53  211.281  1298.26  210.850  248.937   24.013  269.228   22.158 -20.29037 32.67448 
1 1 1  -14   13   13 o  263.638   23.047  1247.80  214.753  1247.80  214.753   0.0000   0.0000  263.638   23.047  ?   ?       ?      ? 
1 1 1  -14   13   23 o  347.740   24.294  2194.93  298.584   0.0000   0.0000  2194.93  298.584  ?   ?   347.740   24.294      ?      ? 
1 1 1  -14   13   25 o  143.244   21.435  370.821  108.522   0.0000   0.0000  370.821  108.522  ?   ?   143.244   21.435      ?      ? 
1 1 1  -14   13   27 o  302.087   23.777  1660.50  253.869   0.0000   0.0000  1660.50  253.869  ?   ?   302.087   23.777      ?      ? 
1 1 1  -14   13   29 o  379.518   17.177  2587.45  230.409   0.0000   0.0000  2587.45  230.409  ?   ?   379.518   17.177      ?      ? 
1 1 1  -14   13   31 o  155.145   15.310  431.701   83.951   0.0000   0.0000  431.701   83.951  ?   ?   155.145   15.310      ?      ? 
1 1 1  -14   13   33 o  165.973   12.892  453.574   70.494  628.558  132.073  383.863   83.362  185.923   20.098  146.023   16.152 39.89995 25.78431 
1 1 1  -14   13   35 o  354.000   14.397  2204.47  171.045  2577.32  301.115  2026.85  207.831  373.714   22.797  334.287   17.590 39.42645 28.79420 
1 1 1  -14   13   37 o  161.151   10.919  392.331   56.796  724.624  109.780  270.882   66.368  199.991   15.531  122.311   15.352 77.67976 21.83804 
1 1 1  -14   13   39 o  161.211   12.269  442.300   65.783  589.174  120.232  379.548   78.589  178.199   19.090  144.223   15.417 33.97574 24.53784 
1 1 1  -14   13   41 o  159.969   23.224  498.984  131.308   0.0000   0.0000  498.984  131.308  ?   ?   159.969   23.224      ?      ? 
1 1 1  -14   14    2 o  230.108   15.872  950.585  128.830  875.260  180.876  1028.14  183.538  220.735   23.184  239.481   21.684 -18.74597 31.74408 
1 1 1  -14   14    4 o  156.416   15.796  438.890   87.326  442.582  123.390  435.184  123.606  157.087   22.224  155.745   22.455 1.342407 31.59294 
1 1 1  -14   14    6 o  634.156   21.929  7346.88  487.676  6316.92  689.342  8378.84  690.013  588.169   33.160  680.144   28.704 -91.97577 43.85743 
1 1 1  -14   14    8 o  484.700   19.270  4247.22  330.122  4217.11  466.770  4277.35  466.957  482.944   27.346  486.456   27.159 -3.512085 38.54068 
1 1 1  -14   14   10 o  433.709   18.456  3396.98  282.907  3375.07  400.378  3418.84  399.806  432.275   26.205  435.143   25.995 -2.868622 36.91182 
1 1 1  -14   14   12 f  486.482   19.383  4291.85  332.840  4043.69  470.802  4539.81  470.611  472.052   28.218  500.911   26.582 -28.85889 38.76651 
1 1 1  -14   14   16 o   73.340   22.507   97.127   63.925   0.0000   0.0000   97.127   63.925  ?   ?    73.340   22.507      ?      ? 
1 1 1  -14   14   18 o  360.956   16.814  2405.85  199.150  2215.97  346.323  2499.66  243.423  348.443   28.121  373.469   18.441 -25.02618 33.62829 
1 1 1  -14   14   20 o  414.138   25.657  3119.85  375.551   0.0000   0.0000  3119.85  375.551  ?   ?   414.138   25.657      ?      ? 
1 1 1  -14   14   22 o  277.053   17.153  1398.30  167.456  1298.49  239.582  1493.64  234.148  267.000   25.388  287.106   23.074 -20.10638 34.30678 
1 1 1  -14   14   24 o   63.608   19.377   73.248   47.491   0.0000   0.0000   73.248   47.491  ?   ?    63.608   19.377      ?      ? 
1 1 1  -14   14   26 o  183.132   21.840  607.764  141.365   0.0000   0.0000  607.764  141.365  ?   ?   183.132   21.840      ?      ? 
1 1 1  -14   14   30 o  234.030   22.546  999.800  186.493   0.0000   0.0000  999.800  186.493  ?   ?   234.030   22.546      ?      ? 
1 1 1  -14   14   32 o  332.012   16.748  1988.02  196.539   0.0000   0.0000  1988.02  196.539  ?   ?   332.012   16.748      ?      ? 
1 1 1  -14   14   34 o  343.245   17.152  2135.18  208.082   0.0000   0.0000  2135.18  208.082  ?   ?   343.245   17.152      ?      ? 
1 1 1  -14   14   36 o  333.032   17.384  2091.34  203.095  2385.59  288.755  1803.26  285.709  357.656   22.842  308.407   26.211 49.24985 34.76755 
1 1 1  -14   14   38 o  257.473   17.027  1266.32  154.794  1213.80  219.978  1317.83  217.861  251.658   24.731  263.289   23.411 -11.63124 34.05485 
1 1 1  -14   14   40 o   45.202   11.872   11.806   32.507 -83.0319   54.489   64.212   40.505   32.166   15.575   58.238   17.923 -26.07224 23.74486 
1 1 1  -14   14   42 o  164.400   22.902  542.266  133.075   0.0000   0.0000  542.266  133.075  ?   ?   164.400   22.902      ?      ? 
1 1 1  -14   15    1 o  347.193   17.417  2184.39  212.545  2442.57  300.477  1925.83  300.692  368.250   23.086  326.136   26.086 42.11456 34.83429 
1 1 1  -14   15    3 f  224.905   15.971  909.996  126.949  903.560  178.659  916.559  180.419  224.108   22.555  225.703   22.616 -1.595444 31.94124 
1 1 1  -14   15    5 o  418.054   17.949  3171.96  263.173  2722.04  371.299  3626.19  373.072  387.481   27.112  448.628   23.528 -61.14664 35.89714 
1 1 1  -14   15    7 o  186.023   15.642  627.040  101.169  495.053  141.952  763.284  144.223  165.650   24.246  206.396   19.770 -40.74675 31.28430 
1 1 1  -14   15    9 o  426.559   18.392  3294.57  277.287  3267.09  391.849  3322.12  392.436  424.742   26.102  428.376   25.919 -3.634613 36.78485 
1 1 1  -14   15   11 o  337.379   17.146  2057.45  204.210  1939.61  288.445  2175.85  289.151  327.483   24.920  347.275   23.558 -19.79279 34.29262 
1 1 1  -14   15   13 o  156.829   16.253  439.196   90.088   0.0000   0.0000  439.196   90.088  ?   ?   156.829   16.253      ?      ? 
1 1 1  -14   15   15 o  378.335   16.631  2682.30  204.525  2330.00  355.474  2856.63  250.060  357.231   28.154  399.439   17.712 -42.20837 33.26208 
1 1 1  -14   15   17 o  473.240   15.851  3970.56  251.514  4284.85  437.077  3814.96  307.534  485.480   25.472  461.000   18.874 24.48001 31.70291 
1 1 1  -14   15   19 o  213.471   16.088  873.711  109.583  700.029  191.587  958.160  133.594  195.536   27.722  231.406   16.334 -35.87004 32.17588 
1 1 1  -14   15   21 o  212.176   12.385  771.352   88.318  925.012  155.776  698.562  107.215  226.680   19.443  197.673   15.346 29.00697 24.76950 
1 1 1  -14   15   23 o   94.057   11.223  134.882   33.541  238.118   65.657   98.426   39.016  115.303   16.111   72.811   15.628 42.49270 22.44564 
1 1 1  -14   15   25 f  364.684   16.127  2463.55  193.077  2283.51  335.819  2552.46  235.981  352.541   26.951  376.828   17.718 -24.28726 32.25344 
1 1 1  -14   15   27 o  275.981   23.148  1389.82  225.794   0.0000   0.0000  1389.82  225.794  ?   ?   275.981   23.148      ?      ? 
1 1 1  -14   15   29 o  137.561   21.479  344.714  104.433   0.0000   0.0000  344.714  104.433  ?   ?   137.561   21.479      ?      ? 
1 1 1  -14   15   37 o  463.338   18.931  3986.71  310.029   0.0000   0.0000  3986.71  310.029  ?   ?   463.338   18.931      ?      ? 
1 1 1  -14   15   39 o  191.350   13.379  688.746   83.894  700.993  149.420  683.109  101.382  190.216   22.225  192.485   14.902 -2.269028 26.75858 
1 1 1  -14   15   41 f  126.119   16.650  301.325   74.221   0.0000   0.0000  301.325   74.221  ?   ?   126.119   16.650      ?      ? 
1 1 1  -14   16    2 o  115.144   15.744  246.172   62.239  172.243   86.798  324.417   89.295   95.765   25.275  134.523   18.781 -38.75774 31.48836 
1 1 1  -14   16    4 o   88.512   10.745  140.542   30.375  146.658   54.660  137.809   36.536   88.962   18.002   88.062   11.739 0.9006424 21.49077 
1 1 1  -14   16    6 o  223.904   11.216  880.649   84.270  940.484  145.999  850.755  103.196  229.187   18.024  218.621   13.355 10.56523 22.43233 
1 1 1  -14   16    8 o  346.913   13.616  2155.35  157.260  2170.82  272.894  2147.66  192.423  346.970   22.253  346.857   15.696 0.1134949 27.23128 
1 1 1  -14   16   10 o  136.982   14.739  341.800   65.537  344.108  113.092  340.633   80.416  135.916   24.441  138.048   16.481 -2.131805 29.47840 
1 1 1  -14   16   12 o  237.207   12.718  1017.20   99.698  982.682  173.634  1034.18  121.772  233.574   21.032  240.840   14.305 -7.266129 25.43636 
1 1 1  -14   16   14 o  257.905   16.260  1203.68  148.191  1194.59  211.177  1212.49  208.006  256.876   23.260  258.933   22.728 -2.056763 32.52055 
1 1 1  -14   16   16 o  202.268   15.583  793.417   99.607  606.075  174.210  884.407  121.410  182.074   27.071  222.462   15.441 -40.38806 31.16522 
1 1 1  -14   16   18 o  335.839   16.370  2097.65  180.052  1897.93  312.410  2196.98  220.323  321.807   27.467  349.872   17.817 -28.06461 32.73943 
1 1 1  -14   16   20 o  192.155   12.601  652.028   80.517  696.094  141.998  631.146   97.751  196.370   20.459  187.940   14.716 8.429108 25.20178 
1 1 1  -14   16   22 o  102.917   17.145  220.753   62.770  105.659  109.384  277.262   76.646   81.585   29.517  124.248   17.453 -42.66276 34.29080 
1 1 1  -14   16   24 o  197.864   14.623  724.305   94.854  664.239  164.991  753.959  115.926  190.659   24.484  205.069   15.994 -14.41048 29.24519 
1 1 1  -14   16   26 o  438.237   16.502  3517.10  239.912  3489.44  416.690  3530.82  293.427  434.379   27.141  442.094   18.779 -7.714874 33.00407 
1 1 1  -14   16   28 o  229.958   16.587  973.491  133.977  851.853  189.276  1095.63  189.669  214.970   24.911  244.946   21.908 -29.97583 33.17445 
1 1 1  -14   16   30 o  390.723   18.388  2865.40  249.764  2293.00  352.384  3443.27  354.062  349.125   28.557  432.322   23.171 -83.19724 36.77536 
1 1 1  -14   16   32 o  290.937   17.729  1588.63  181.519  1448.35  259.216  1723.60  254.268  277.391   26.439  304.483   23.627 -27.09265 35.45795 
1 1 1  -14   16   34 o  178.084   20.727  649.036  120.417  399.638  172.967  883.603  167.745  138.376   35.263  217.792   21.791 -79.41647 41.45319 
1 1 1  -14   16   36 o  196.863   22.585  736.622  157.146   0.0000   0.0000  736.622  157.146  ?   ?   196.863   22.585      ?      ? 
1 1 1  -14   16   38 o  106.985   23.120  230.661   84.871   0.0000   0.0000  230.661   84.871  ?   ?   106.985   23.120      ?      ? 
1 1 1  -14   16   40 o   86.135   22.666  154.165   69.939   0.0000   0.0000  154.165   69.939  ?   ?    86.135   22.666      ?      ? 
1 1 1  -14   17    1 o  199.496   12.902  681.019   87.355  833.193  150.969  604.425  107.106  215.197   19.849  183.795   16.488 31.40230 25.80337 
1 1 1  -14   17    3 o  413.145   15.559  2989.63  216.815  3393.68  375.816  2788.06  265.444  432.327   24.595  393.963   19.063 38.36407 31.11774 
1 1 1  -14   17    5 o  208.201   13.012  748.297   91.474  877.127  159.118  684.704  111.794  220.718   20.397  195.684   16.164 25.03416 26.02491 
1 1 1  -14   17    7 o  201.307   12.832  729.785   85.790  718.145  148.700  735.592  105.032  199.580   21.080  203.034   14.636 -3.453781 25.66312 
1 1 1  -14   17    9 o  118.082   15.523  261.172   59.398  242.401  102.382  270.695   72.926  113.195   26.121  122.969   16.779 -9.774033 31.04601 
1 1 1  -14   17   11 o  377.704   14.148  2477.20  180.577  2879.78  313.065  2276.48  221.057  399.073   22.195  356.334   17.552 42.73892 28.29670 
1 1 1  -14   17   13 o  573.608   20.938  6060.68  424.474  6118.99  601.301  6002.75  599.297  576.435   29.514  570.782   29.706 5.652771 41.87511 
1 1 1  -14   17   15 o  302.323   16.333  1721.40  160.549  1482.79  277.987  1840.83  196.665  284.298   27.665  320.349   17.369 -36.05136 32.66568 
1 1 1  -14   17   17 o  184.933   13.423  639.913   80.802  548.486  139.622  685.953   99.080  173.879   22.719  195.988   14.303 -22.10873 26.84640 
1 1 1  -14   17   19 o  227.034   16.729  942.056  133.507  840.619  190.248  1040.48  187.398  214.530   25.091  239.538   22.135 -25.00749 33.45859 
1 1 1  -14   17   21 o  180.962   16.521  587.520  105.670   0.0000   0.0000  587.520  105.670  ?   ?   180.962   16.521      ?      ? 
1 1 1  -14   17   23 o   98.562   16.739  181.193   58.337  131.413   78.961  241.021   86.564   83.908   24.858  113.215   22.426 -29.30713 33.47897 
1 1 1  -14   17   25 o  280.558   16.791  1442.87  166.454  1398.77  234.299  1487.80  236.520  276.119   24.008  284.998   23.480 -8.879272 33.58141 
1 1 1  -14   17   27 o  207.508   17.059  802.505  122.894  960.080  172.760  641.088  174.854  229.306   21.316  185.710   26.639 43.59619 34.11785 
1 1 1  -14   17   29 o  375.642   18.306  2636.45  242.757  2762.11  341.999  2508.84  344.636  385.261   25.116  366.023   26.640 19.23837 36.61277 
1 1 1  -14   17   31 o   95.760   16.091  170.301   51.593  199.436   88.502  155.303   63.499  101.277   24.899   90.242   20.389 11.03544 32.18204 
1 1 1  -14   17   33 o  278.091   13.824  1439.21  127.556  1399.96  219.982  1459.09  156.564  273.004   22.798  283.178   15.643 -10.17377 27.64862 
1 1 1  -14   17   35 o  146.165   14.383  401.413   70.261  404.212  120.365  399.966   86.534  145.065   23.476  147.266   16.625 -2.200882 28.76621 
1 1 1  -14   17   37 o   72.702   13.406  106.874   34.024   89.175   58.892  115.742   41.685   67.712   21.721   77.692   15.720 -9.979675 26.81266 
1 1 1  -14   18    2 o  452.356   14.929  3571.44  228.159  4120.04  395.144  3297.06  279.450  476.381   23.468  428.331   18.459 48.04993 29.85779 
1 1 1  -14   18    4 o  125.097   9.9196  259.675   42.278  367.148   72.104  203.367   52.191  143.423   14.224  106.772   13.830 36.65152 19.83912 
1 1 1  -14   18    6 o  188.833   11.173  609.687   71.700  740.825  123.430  542.898   88.087  203.269   17.180  174.396   14.291 28.87349 22.34687 
1 1 1  -14   18    8 o  144.653   12.494  377.090   60.295  370.647  103.548  380.395   74.165  143.341   20.439  145.966   14.376 -2.625168 24.98784 
1 1 1  -14   18   10 o  270.382   13.693  1301.76  124.070  1362.60  214.400  1271.13  152.129  274.316   22.113  266.448   16.154 7.868347 27.38518 
1 1 1  -14   18   12 o  265.125   22.909  1275.65  214.670   0.0000   0.0000  1275.65  214.670  ?   ?   265.125   22.909      ?      ? 
1 1 1  -14   18   14 o  174.151   15.341  578.368   86.102  470.758  148.721  632.622  105.600  160.342   26.243  187.961   15.896 -27.61925 30.68129 
1 1 1  -14   18   16 o  381.298   14.898  2663.46  187.778  2533.66  325.049  2728.48  230.048  372.579   24.684  390.016   16.688 -17.43689 29.79580 
1 1 1  -14   18   18 o  403.315   17.771  2982.51  252.008  2627.74  354.552  3344.76  358.263  378.239   26.521  428.392   23.661 -50.15289 35.54203 
1 1 1  -14   18   20 o  233.313   16.275  992.591  134.050  929.927  187.634  1057.92  191.579  225.630   23.528  240.995   22.492 -15.36522 32.54930 
1 1 1  -14   18   22 o  270.981   16.666  1344.08  159.598  1310.40  223.990  1378.81  227.462  267.485   23.692  274.478   23.447 -6.992645 33.33288 
1 1 1  -14   18   24 o  526.100   19.415  5378.46  329.593  4508.53  570.348  5814.62  403.853  486.645   33.159  565.556   20.204 -78.91061 38.82951 
1 1 1  -14   18   26 o  117.382   17.811  271.150   75.092  136.154  107.817  398.323  104.647   86.936   29.457  147.827   20.029 -60.89098 35.62130 
1 1 1  -14   18   28 o  217.259   15.475  901.144  109.459  781.016  188.886  961.882  134.309  204.019   26.194  230.498   16.486 -26.47876 30.95061 
1 1 1  -14   18   30 o  318.105   14.813  1902.82  155.589  1774.76  267.514  1968.28  191.266  307.164   24.641  329.046   16.446 -21.88129 29.62505 
1 1 1  -14   18   32 o  115.841   16.991  280.372   65.155  193.603  109.540  327.877   81.051   98.026   29.333  133.656   17.157 -35.63026 33.98215 
1 1 1  -14   18   34 o  121.942   14.300  294.201   56.005  254.580   94.067  315.957   69.705  112.688   24.330  131.196   15.032 -18.50772 28.59937 
1 1 1  -14   18   36 o   96.107   14.078  181.206   44.786  188.791   74.498  176.914   56.045   96.482   22.294   95.732   17.196 0.7500305 28.15524 
1 1 1  -14   19    1 o  181.257   12.889  560.385   80.235  732.181  134.227  464.871  100.084  201.648   18.833  160.865   17.603 40.78304 25.77884 
1 1 1  -14   19    3 o  287.409   13.225  1462.69  128.702  1570.80  218.782  1405.48  159.153  294.716   21.003  280.103   16.076 14.61249 26.44946 
1 1 1  -14   19    5 o  301.697   13.990  1565.56  143.132  1914.45  247.840  1390.97  175.325  325.168   21.565  278.226   17.829 46.94150 27.98049 
1 1 1  -14   19    7 o  157.852   15.698  452.577   87.420  426.229  124.541  478.168  122.739  153.167   23.005  162.537   21.365 -9.369263 31.39614 
1 1 1  -14   19    9 o  188.823   13.314  655.694   83.055  601.449  142.540  683.578  102.196  182.110   22.145  195.535   14.787 -13.42508 26.62846 
1 1 1  -14   19   11 f   91.397   21.992  157.361   70.179   0.0000   0.0000  157.361   70.179  ?   ?    91.397   21.992      ?      ? 
1 1 1  -14   19   13 o  148.205   15.925  402.597   80.674  331.029  110.538  484.164  118.008  132.767   24.457  163.642   20.403 -30.87488 31.85025 
1 1 1  -14   19   15 o  344.107   16.682  2169.05  200.777  1803.36  281.645  2546.92  286.297  313.628   25.408  374.586   21.624 -60.95825 33.36415 
1 1 1  -14   19   17 o  265.790   15.646  1290.22  144.537  1008.02  200.385  1596.26  208.679  234.640   24.163  296.941   19.883 -62.30121 31.29178 
1 1 1  -14   19   19 o   63.302   13.059   73.012   29.915   74.042   51.632   72.492   36.703   64.223   20.310   62.381   16.422 1.841656 26.11881 
1 1 1  -14   19   21 o  148.546   16.620  443.369   76.324  325.159  130.478  504.858   94.104  129.538   29.197  167.555   15.890 -38.01759 33.24097 
1 1 1  -14   19   23 o  344.490   16.163  2229.35  183.014  2034.71  315.625  2327.94  224.633  330.281   27.038  358.698   17.718 -28.41724 32.32605 
1 1 1  -14   19   25 f  532.716   19.816  5713.52  333.877  4369.96  577.013  6389.79  409.370  473.757   34.460  591.676   19.575 -117.9190 39.63152 
1 1 1  -14   19   27 o   84.812   15.777  140.211   47.143  123.213   78.255  149.894   59.063   80.747   24.923   88.876   19.351 -8.128502 31.55360 
1 1 1  -14   19   29 f  231.432   14.151  1035.51  107.542  847.250  179.051  1141.74  134.506  212.024   23.893  250.839   15.171 -38.81523 28.30290 
1 1 1  -14   19   31 o  165.801   15.148  564.344   77.308  398.253  128.218  659.212   96.903  141.306   26.650  190.296   14.407 -48.99031 30.29504 
1 1 1  -14   19   33 f   80.241   13.590  132.845   39.925   74.894   63.750  170.240   51.211   64.373   22.617   96.109   15.076 -31.73618 27.18061 
1 1 1  -14   19   35 o  115.397   14.921  287.651   54.621  193.759   91.071  340.398   68.260   95.294   26.217  135.499   14.253 -40.20522 29.84114 
1 1 1  -14   20    2 o  153.913   21.608  430.081  117.546   0.0000   0.0000  430.081  117.546  ?   ?   153.913   21.608      ?      ? 
1 1 1  -14   20    4 o  230.378   14.671  949.608  119.458   0.0000   0.0000  949.608  119.458  ?   ?   230.378   14.671      ?      ? 
1 1 1  -14   20    6 o  157.362   15.435  495.018   75.100  342.598  124.138  583.006   94.318  134.231   27.099  180.492   14.785 -46.26045 30.87019 
1 1 1  -14   20    8 o  139.628   18.202  365.936   85.760  374.268  110.721  353.441  135.589  143.529   21.826  135.726   29.136 7.802795 36.40388 
1 1 1  -14   20   10 o  361.937   25.340  2405.00  324.162   0.0000   0.0000  2405.00  324.162  ?   ?   361.937   25.340      ?      ? 
1 1 1  -14   20   12 o  261.690   16.693  1252.94  154.270  1282.23  215.658  1222.24  220.773  265.038   23.022  258.341   24.179 6.696960 33.38560 
1 1 1  -14   20   14 o   55.396   13.250   52.097   31.645   28.143   50.758   67.328   40.474   50.236   19.669   60.557   17.758 -10.32092 26.49931 
1 1 1  -14   20   16 o  346.743   14.796  2172.61  171.828  2232.60  295.707  2142.02  211.130  348.783   23.988  344.704   17.329 4.079529 29.59239 
1 1 1  -14   20   18 o   75.824   16.033  106.924   45.362  101.023   75.324  110.281   56.821   75.106   24.602   76.542   20.565 -1.435898 32.06516 
1 1 1  -14   20   20 o  177.634   14.451  623.010   81.624  444.897  137.496  719.938  101.430  154.990   25.100  200.277   14.329 -45.28700 28.90168 
1 1 1  -14   20   22 o  108.405   14.317  228.797   50.595  185.605   83.943  253.441   63.406   98.196   24.315  118.614   15.124 -20.41760 28.63473 
1 1 1  -14   20   24 o  219.627   14.007  924.609  100.231  765.354  170.306  1009.00  123.976  202.757   23.765  236.497   14.832 -33.74004 28.01332 
1 1 1  -14   20   26 f   58.239   11.738   66.087   26.576   33.253   43.719   85.334   33.471   48.987   18.489   67.491   14.466 -18.50393 23.47607 
1 1 1  -14   20   28 o  284.717   17.897  1567.17  176.642  1243.51  250.098  1889.34  249.522  252.602   28.013  316.833   22.282 -64.23152 35.79393 
1 1 1  -14   20   30 o  100.547   20.293  199.577   68.666  190.558   79.138  227.049  138.123   97.832   23.233  103.262   33.279 -5.430481 40.58659 
1 1 1  -14   20   32 o  215.533   16.068  975.149  109.712  701.635  182.809  1129.11  137.158  184.628   28.014  246.437   15.747 -61.80917 32.13669 
1 1 1  -14   20   34 f  113.603   17.231  270.899   68.694  206.292   97.744  333.953   96.562   97.054   27.331  130.152   20.991 -33.09716 34.46206 
1 1 1  -14   21    1 o  101.690   22.704  195.979   79.538  195.979   79.538   0.0000   0.0000  101.690   22.704  ?   ?       ?      ? 
1 1 1  -14   21    3 o  274.360   23.240  1377.61  225.364  1377.61  225.364   0.0000   0.0000  274.360   23.240  ?   ?       ?      ? 
1 1 1  -14   21    9 o  240.927   16.695  1044.93  142.167   0.0000   0.0000  1044.93  142.167  ?   ?   240.927   16.695      ?      ? 
1 1 1  -14   21   11 o  371.441   25.013  2542.77  328.379   0.0000   0.0000  2542.77  328.379  ?   ?   371.441   25.013      ?      ? 
1 1 1  -14   21   13 o  189.704   14.683  658.707   93.773  643.884  157.569  666.837  116.687  187.154   23.820  192.253   17.172 -5.099426 29.36501 
1 1 1  -14   21   15 o   84.627   14.789  138.903   43.805  113.730   69.425  155.554   56.464   78.058   23.351   91.196   18.156 -13.13814 29.57850 
1 1 1  -14   21   17 o  289.717   15.076  1590.91  143.835  1370.32  242.855  1710.10  178.513  271.637   25.295  307.797   16.409 -36.16095 30.15134 
1 1 1  -14   21   19 o  240.070   14.603  1087.60  115.216  961.320  196.884  1153.36  142.086  227.417   24.494  252.724   15.907 -25.30646 29.20626 
1 1 1  -14   21   21 o  265.737   14.694  1284.78  131.343  1346.75  224.880  1252.69  161.811  269.000   23.653  262.475   17.442 6.523987 29.38827 
1 1 1  -14   21   23 o  254.474   16.058  1290.96  130.185  975.075  221.877  1456.81  160.768  225.722   27.811  283.226   16.060 -57.50330 32.11506 
1 1 1  -14   21   25 o   67.701   13.463   83.856   33.372  108.852   52.453   66.857   43.257   75.317   19.538   60.085   18.527 15.23165 26.92546 
1 1 1  -14   21   27 o  126.253   14.420  324.808   58.045  225.404   92.053  390.417   74.786  106.169   24.953  146.338   14.459 -40.16839 28.83962 
1 1 1  -14   21   29 o  142.117   14.668  395.552   69.075  362.638  110.395  416.728   88.550  134.600   24.089  149.633   16.743 -15.03282 29.33670 
1 1 1  -14   21   31 o  121.969   14.591  181.286   51.784   93.500   57.027  593.968  123.644   68.637   21.291  175.301   19.956 -106.6645 29.18106 
1 1 1  -14   22    2 o  226.405   18.414  968.338  144.347  1071.12  193.480  839.317  216.775  241.529   22.664  211.280   29.029 30.24953 36.82874 
1 1 1  -14   22    4 o  141.237   13.502  358.405   66.392  383.743  104.623  341.322   85.906  145.106   20.400  137.368   17.694 7.738098 27.00377 
1 1 1  -14   22    6 o  108.670   16.149  220.093   59.198  249.078   93.720  200.851   76.359  114.328   23.960  103.012   21.660 11.31611 32.29877 
1 1 1  -14   22    8 o  360.166   17.610  2400.85  224.163  2385.46  317.272  2416.19  316.759  358.945   25.008  361.387   24.799 -2.441559 35.21946 
1 1 1  -14   22   10 o  422.764   18.302  3335.77  271.629  3764.89  384.503  2908.26  383.780  451.408   24.100  394.120   27.551 57.28757 36.60379 
1 1 1  -14   22   12 o  138.458   21.666  351.798  106.024   0.0000   0.0000  351.798  106.024  ?   ?   138.458   21.666      ?      ? 
1 1 1  -14   22   14 o  305.484   23.877  1729.90  257.800   0.0000   0.0000  1729.90  257.800  ?   ?   305.484   23.877      ?      ? 
1 1 1  -14   22   16 o  179.611   14.793  581.519   93.910   0.0000   0.0000  581.519   93.910  ?   ?   179.611   14.793      ?      ? 
1 1 1  -14   22   18 o  186.370   17.060  631.542  112.378   0.0000   0.0000  631.542  112.378  ?   ?   186.370   17.060      ?      ? 
1 1 1  -14   22   20 o  246.967   14.279  1184.80  115.457  938.642  191.120  1326.26  144.882  223.380   24.207  270.555   15.151 -47.17511 28.55746 
1 1 1  -14   22   22 o  186.253   13.161  660.906   82.319  557.400  132.487  725.993  105.060  172.571   21.721  199.935   14.867 -27.36458 26.32201 
1 1 1  -14   22   24 o   56.474   13.058   54.111   30.302   78.952   46.845   36.240   39.734   64.491   19.156   48.456   17.750 16.03537 26.11549 
1 1 1  -14   22   26 o  114.684   15.491  261.914   59.794  228.111   93.606  285.215   77.716  105.800   25.362  123.569   17.794 -17.76856 30.98160 
1 1 1  -14   22   28 o  136.244   15.035  380.502   66.063  298.062  105.292  434.026   84.840  119.858   25.631  152.629   15.727 -32.77116 30.07099 
1 1 1  -14   22   30 o  135.914   16.513  407.025   71.369  263.936  113.006  501.962   92.049  108.702   28.911  163.125   15.965 -54.42268 33.02625 
1 1 1  -14   23    1 o  125.606   14.360  284.455   62.845  318.855   99.400  261.547   81.115  131.575   21.374  119.638   19.183 11.93690 28.72014 
1 1 1  -14   23    3 o  195.207   13.083  700.750   86.845  669.113  141.807  719.738  109.856  190.790   21.029  199.625   15.570 -8.834503 26.16576 
1 1 1  -14   23    5 o  222.309   14.029  911.317  105.438  879.150  174.858  929.695  132.170  218.026   22.691  226.592   16.503 -8.565552 28.05782 
1 1 1  -14   23    7 o  132.542   15.740  329.473   71.779  365.050  101.797  294.292  101.227  141.071   20.416  124.012   23.962 17.05830 31.48007 
1 1 1  -14   23    9 o  112.035   22.762  239.896   87.058   0.0000   0.0000  239.896   87.058  ?   ?   112.035   22.762      ?      ? 
1 1 1  -14   23   11 o  211.701   12.431  816.621   89.407  811.516  147.934  819.559  112.222  210.317   19.901  213.084   14.901 -2.766693 24.86116 
1 1 1  -14   23   13 o  201.298   13.399  716.004   92.763  856.739  154.206  636.199  116.122  215.761   20.221  186.835   17.585 28.92563 26.79783 
1 1 1  -14   23   15 f  298.366   16.948  1671.09  178.728  1667.62  253.008  1674.54  252.511  298.020   24.020  298.712   23.917 -0.6927490 33.89653 
1 1 1  -14   23   17 o  103.485   16.103  207.646   57.303  214.232   81.591  201.234   80.498  105.188   22.618  101.783   22.927 3.405571 32.20607 
1 1 1  -14   23   19 o  140.775   21.950  372.553  109.215   0.0000   0.0000  372.553  109.215  ?   ?   140.775   21.950      ?      ? 
1 1 1  -14   23   21 o  188.990   22.541  680.011  150.569   0.0000   0.0000  680.011  150.569  ?   ?   188.990   22.541      ?      ? 
1 1 1  -14   23   23 o  326.967   16.503  1982.06  190.719   0.0000   0.0000  1982.06  190.719  ?   ?   326.967   16.503      ?      ? 
1 1 1  -14   23   25 o  197.639   15.033  723.720  105.015   0.0000   0.0000  723.720  105.015  ?   ?   197.639   15.033      ?      ? 
1 1 1  -14   23   27 o  153.446   13.783  470.653   70.938  393.144  113.076  520.956   91.094  140.178   22.823  166.714   15.460 -26.53622 27.56592 
1 1 1  -14   24    2 o  286.959   16.863  1533.01  170.094  1384.71  226.768  1723.78  257.195  271.413   23.639  302.504   24.055 -31.09116 33.72629 
1 1 1  -14   24    4 o  214.278   13.338  826.138   98.771  928.007  160.599  764.165  125.262  224.034   20.282  204.522   17.329 19.51244 26.67639 
1 1 1  -14   24    6 o   33.224   9.3099   11.030   15.884   11.694   25.760   10.622   20.176   34.895   13.902   31.553   12.387 3.341656 18.61979 
1 1 1  -14   24    8 o   65.924   20.078   81.172   50.994   0.0000   0.0000   81.172   50.994  ?   ?    65.924   20.078      ?      ? 
1 1 1  -14   24   10 o   92.508   13.391  159.440   41.909  188.092   65.254  139.324   54.677   99.496   19.252   85.520   18.617 13.97596 26.78116 
1 1 1  -14   24   12 o  198.702   15.844  741.542  111.232  765.489  157.794  717.888  156.822  202.053   22.096  195.352   22.713 6.700867 31.68726 
1 1 1  -14   24   14 o  189.841   14.637  666.232   94.757  702.181  157.422  645.806  118.662  192.525   23.135  187.157   17.938 5.367523 29.27444 
1 1 1  -14   24   16 o  201.790   14.004  788.096   93.623  669.135  154.914  856.547  117.512  187.161   23.418  216.420   15.363 -29.25922 28.00759 
1 1 1  -14   24   18 o  154.454   14.874  449.558   78.737  465.378  128.553  440.060   99.606  155.350   23.413  153.559   18.352 1.791183 29.74827 
1 1 1  -14   24   20 o  102.864   13.498  204.053   47.271  195.561   72.642  210.290   62.255   99.392   21.318  106.337   16.564 -6.944992 26.99652 
1 1 1  -14   24   22 f   72.000   14.909  103.109   40.397  109.837   57.845   96.704   56.442   74.118   21.080   69.881   21.088 4.237236 29.81716 
1 1 1  -14   24   24 f  164.815   22.936  544.125  133.608   0.0000   0.0000  544.125  133.608  ?   ?   164.815   22.936      ?      ? 
1 1 1  -14   25    1 o  188.871   13.189  665.600   85.055  657.401  138.589  670.554  107.731  186.649   21.008  191.094   15.950 -4.444901 26.37707 
1 1 1  -14   25    3 o  161.577   18.776  503.201  100.346  473.429  124.277  558.969  170.092  157.922   22.265  165.232   30.240 -7.309814 37.55234 
1 1 1  -14   25    5 o   95.026   14.393  177.026   46.564  158.911   70.676  190.920   61.895   89.876   22.345  100.176   18.150 -10.30051 28.78693 
1 1 1  -14   25    7 o   51.567   16.210   48.637   32.933   0.0000   0.0000   48.637   32.933  ?   ?    51.567   16.210      ?      ? 
1 1 1  -14   25    9 o  119.452   12.712  261.566   53.056  286.136   82.738  244.408   69.143  123.857   18.900  115.048   17.004 8.809395 25.42333 
1 1 1  -14   25   11 o   93.634   14.558  172.646   46.397  160.911   71.768  181.072   60.814   90.066   22.586   97.202   18.375 -7.135887 29.11605 
1 1 1  -14   25   13 o   40.812   10.420   22.370   20.098   41.572   29.891   6.5254   27.152   47.960   15.484   33.663   13.947 14.29626 20.83908 
1 1 1  -14   25   15 o   49.259   11.506   43.526   23.221   45.287   34.279   42.033   31.567   50.155   16.605   48.362   15.931 1.793297 23.01127 
1 1 1  -14   25   17 o   75.311   14.047  110.804   37.684  126.904   57.665   98.803   49.786   79.826   20.371   70.796   19.346 9.029991 28.09320 
1 1 1  -14   25   19 o   42.503   10.307   29.944   19.866   10.473   29.848   45.428   26.617   36.013   14.740   48.994   14.410 -12.98112 20.61318 
1 1 1  -14   25   21 o  131.634   13.185  334.915   59.995  331.052   94.505  337.524   77.649  129.770   20.604  133.497   16.457 -3.726685 26.36971 
1 1 1  -14   26    2 f   9.8070   3.1434  -6.5348   2.7745   1.0476   3.8943 -14.3508   3.9538   13.029   5.3274   6.5846   3.3380 6.444840 6.286790 
1 1 1  -14   26    4 o  125.695   19.081  312.977   78.065  280.235   94.534  383.172  138.417  117.877   23.515  133.512   30.057 -15.63454 38.16232 
1 1 1  -14   26    6 o  129.546   13.895  316.866   62.638  338.850   98.713  302.047   81.044  132.556   21.069  126.535   18.121 6.021103 27.79024 
1 1 1  -14   26    8 o  196.524   14.239  730.130   95.360  781.088  158.949  701.475  119.194  199.894   22.498  193.155   17.459 6.739044 28.47765 
1 1 1  -14   26   10 o   89.000   14.309  158.574   43.572  149.550   67.534  165.010   57.030   85.953   22.105   92.046   18.175 -6.093361 28.61771 
1 1 1  -14   26   12 o  167.441   13.764  541.880   78.202  523.524  128.051  552.799   98.758  163.149   22.206  171.733   16.270 -8.584625 27.52899 
1 1 1  -14   26   14 o   63.714   13.243   77.894   31.991   99.158   48.129   61.063   42.820   70.615   18.907   56.813   18.546 13.80149 26.48507 
1 1 1  -14   26   16 o   67.335   14.077   89.800   35.666  100.622   53.944   81.395   47.539   70.585   20.444   64.085   19.357 6.500191 28.15429 
1 1 1  -13    0    1 o  1260.69   24.533 28246.20  1543.30 28246.20  1543.30 28246.20  1543.30  1260.69   34.695  1260.69   34.695 -0.000000 0.000000 
1 1 1  -13    0    3 o  1271.95   24.783 28754.64  1572.94 28754.64  1572.94 28754.64  1572.94  1271.95   35.048  1271.95   35.048 -0.000000 0.000000 
1 1 1  -13    0    5 o  781.454   17.229 10841.24  671.506 10841.24  671.506 10841.24  671.506  781.454   24.366  781.454   24.366 -0.000000 0.000000 
1 1 1  -13    0    7 o  1230.55   24.162 26909.42  1483.55 26909.42  1483.55 26909.42  1483.55  1230.55   34.170  1230.55   34.170 -0.000000 0.000000 
1 1 1  -13    0    9 o  1031.19   20.990 18885.22  1079.86 18885.22  1079.86 18885.22  1079.86  1031.19   29.684  1031.19   29.684 -0.000000 0.000000 
1 1 1  -13    0   11 o  1421.81   27.281 35958.36  1935.59 35958.36  1935.59 35958.36  1935.59  1421.81   38.581  1421.81   38.581 -0.000000 0.000000 
1 1 1  -13    0   13 o  1481.23   28.302 39047.82  2092.01 39047.82  2092.01 39047.82  2092.01  1481.23   40.025  1481.23   40.025 -0.000000 0.000000 
1 1 1  -13    0   15 o   74.717   18.949  130.680   64.708  130.680   64.708  130.680   64.708   74.717   26.799   74.717   26.799 -0.000000 0.000000 
1 1 1  -13    0   17 o  1136.41   22.700 22962.49  1287.11 22962.49  1287.11 22962.49  1287.11  1136.41   32.103  1136.41   32.103 -0.000000 0.000000 
1 1 1  -13    0   19 o  516.707   13.854  4745.93  356.640  4745.93  356.640  4745.93  356.640  516.707   19.592  516.707   19.592 -0.000000 0.000000 
1 1 1  -13    0   23 o  1232.31   34.681 27364.71  2128.52 27364.71  2128.52 27364.71  2128.52  1232.31   49.046  1232.31   49.046 -0.000000 0.000000 
1 1 1  -13    0   25 o  804.378   25.194 11624.93  1008.45 11624.93  1008.45 11624.93  1008.45  804.378   35.630  804.378   35.630 -0.000000 0.000000 
1 1 1  -13    0   27 o  1193.87   34.213 26028.53  2034.04 26028.53  2034.04 26028.53  2034.04  1193.87   48.385  1193.87   48.385 -0.000000 0.000000 
1 1 1  -13    0   29 o  457.471   18.889  3777.75  428.557  3777.75  428.557  3777.75  428.557  457.471   26.713  457.471   26.713 -0.000000 0.000000 
1 1 1  -13    0   31 o  333.411   17.248  2017.83  283.901  2017.83  283.901  2017.83  283.901  333.411   24.392  333.411   24.392 -0.000000 0.000000 
1 1 1  -13    0   33 o  149.497   17.282  429.774  118.773  429.774  118.773  429.774  118.773  149.497   24.440  149.497   24.440 -0.000000 0.000000 
1 1 1  -13    0   35 o  449.874   18.873  3676.91  420.962  3676.91  420.962  3676.91  420.962  449.874   26.690  449.874   26.690 -0.000000 0.000000 
1 1 1  -13    0   37 o  223.212   16.513  921.502  179.618  921.502  179.618  921.502  179.618  223.212   23.352  223.212   23.352 -0.000000 0.000000 
1 1 1  -13    0   39 o  518.093   20.089  4906.14  516.664  4906.14  516.664  4906.14  516.664  518.093   28.410  518.093   28.410 -0.000000 0.000000 
1 1 1  -13    0   41 o  256.357   16.791  1214.56  210.908  1214.56  210.908  1214.56  210.908  256.357   23.745  256.357   23.745 -0.000000 0.000000 
1 1 1  -13    0   43 o  347.285   17.710  2226.12  303.754  2226.12  303.754  2226.12  303.754  347.285   25.046  347.285   25.046 -0.000000 0.000000 
1 1 1  -13    0   45 o  501.034   20.208  4706.63  502.323  4706.63  502.323  4706.63  502.323  501.034   28.579  501.034   28.579 -0.000000 0.000000 
1 1 1  -13    0   47 f   26.811   11.962   6.6569   34.057   6.6569   34.057   6.6569   34.057   26.811   16.916   26.811   16.916 -0.000000 0.000000 
1 1 1  -13    1    2 o  673.593   15.691  8040.69  373.556  8101.42  528.315  7979.97  528.262  676.144   22.107  671.042   22.273 5.101135 31.38177 
1 1 1  -13    1    4 f  1189.25   23.466 25154.16  986.035 25906.32  1394.50 24402.07  1394.43  1207.14   32.684  1171.36   33.681 35.78674 46.93279 
1 1 1  -13    1    6 o  1378.71   26.449 33858.69  1288.69 34443.33  1822.51 33274.09  1822.45  1390.70   37.078  1366.71   37.728 23.99390 52.89745 
1 1 1  -13    1    8 o  957.850   19.795 16285.85  670.154 16374.99  947.764 16196.71  947.719  960.483   27.918  955.217   28.071 5.265869 39.59061 
1 1 1  -13    1   10 f  417.332   12.660  3084.47  186.654  3191.64  263.998  2977.34  263.939  424.596   17.592  410.067   18.211 14.52875 25.31981 
1 1 1  -13    1   12 o  549.368   14.175  5346.74  275.198  5441.65  389.220  5251.86  389.157  554.255   19.869  544.480   20.222 9.774536 28.34930 
1 1 1  -13    1   14 o  126.376   10.557  282.641   47.154  285.904   66.808  279.401   66.565  127.104   14.871  125.649   14.989 1.455254 21.11450 
1 1 1  -13    1   16 o  1207.34   23.766 25962.65  1014.14 25892.21  1434.23 26033.10  1434.20  1205.69   33.656  1208.99   33.563 -3.301880 47.53131 
1 1 1  -13    1   18 o  1302.15   25.395 30268.42  1168.78 30342.26  1652.93 30194.58  1652.88  1303.76   35.870  1300.55   35.958 3.208374 50.79039 
1 1 1  -13    1   20 o  648.502   19.094  7556.70  410.347  7264.14  710.597  7703.08  502.622  638.205   31.502  658.798   21.586 -20.59241 38.18829 
1 1 1  -13    1   22 o  968.953   40.438 16890.62  1384.88   0.0000   0.0000 16890.62  1384.88  ?   ?   968.953   40.438      ?      ? 
1 1 1  -13    1   24 o  871.179   22.783 13583.97  661.556 13712.60  1146.07 13519.69  810.159  872.104   37.181  870.254   26.339 1.849670 45.56527 
1 1 1  -13    1   26 o  1268.60   30.316 29154.78  1287.19 30714.36  2229.77 28375.31  1576.37  1286.51   49.037  1250.69   35.661 35.82275 60.63298 
1 1 1  -13    1   28 o  187.481   13.731  638.625   84.812  597.211  147.310  659.159  103.729  182.472   22.841  192.490   15.247 -10.01816 27.46220 
1 1 1  -13    1   30 o  1056.32   45.208 21144.31  1687.82   0.0000   0.0000 21144.31  1687.82  ?   ?   1056.32   45.208      ?      ? 
1 1 1  -13    1   32 o  750.865   24.612 10474.11  652.784 10870.42  923.317 10078.04  923.035  765.788   34.113  735.943   35.486 29.84583 49.22343 
1 1 1  -13    1   34 o  377.922   17.617  2599.58  235.174  2705.05  332.818  2494.41  332.355  385.799   24.408  370.044   25.411 15.75461 35.23450 
1 1 1  -13    1   36 f  561.650   20.787  5832.98  411.852  6235.92  582.668  5430.64  582.227  581.923   28.329  541.377   30.428 40.54669 41.57412 
1 1 1  -13    1   38 o  443.680   18.826  3624.55  295.175  3556.64  417.544  3692.40  417.337  439.347   26.889  448.013   26.356 -8.666077 37.65162 
1 1 1  -13    1   40 o  338.429   17.308  2107.41  207.024  2134.59  292.997  2080.31  292.555  340.688   24.332  336.171   24.622 4.516846 34.61681 
1 1 1  -13    1   42 o   99.481   16.695  190.443   57.950  170.732   82.812  209.358   81.121   94.191   24.605  104.771   22.573 -10.58070 33.39076 
1 1 1  -13    1   44 o  331.388   17.522  2070.52  205.215  2096.04  290.433  2045.08  290.004  333.548   24.636  329.229   24.922 4.318542 35.04340 
1 1 1  -13    1   46 o  269.756   24.085  1401.19  229.631   0.0000   0.0000  1401.19  229.631  ?   ?   269.756   24.085      ?      ? 
1 1 1  -13    1   48 o  382.200   17.668  2765.43  238.664   0.0000   0.0000  2765.43  238.664  ?   ?   382.200   17.668      ?      ? 
1 1 1  -13    2    1 o  1636.62   30.919 47850.39  1788.43 48351.63  2529.25 47349.18  2529.20  1645.29   43.494  1627.95   43.956 17.32947 61.83761 
1 1 1  -13    2    3 o  1176.03   23.181 24590.70  963.470 24300.79  1362.56 24880.59  1362.54  1169.06   32.976  1183.00   32.587 -13.94910 46.36100 
1 1 1  -13    2    5 o  1057.61   21.191 19868.68  792.067 20196.45  1120.20 19540.96  1120.10  1066.38   29.721  1048.85   30.215 17.53503 42.38271 
1 1 1  -13    2    7 o  508.263   13.636  4575.35  244.928  4668.32  346.406  4482.40  346.354  513.437   19.089  503.088   19.479 10.34915 27.27258 
1 1 1  -13    2    9 o  506.782   13.605  4549.12  243.630  4670.72  344.593  4427.59  344.496  513.569   18.984  499.996   19.494 13.57321 27.21035 
1 1 1  -13    2   11 o  824.213   17.754 12051.24  517.112 12309.48  731.351 11793.06  731.262  833.076   24.838  815.349   25.375 17.72675 35.50827 
1 1 1  -13    2   13 o  372.123   12.234  2451.83  160.890  2485.00  227.575  2418.69  227.491  374.643   17.186  369.602   17.414 5.041534 24.46708 
1 1 1  -13    2   15 f  1212.62   23.935 26190.09  1025.71 26640.46  1450.61 25739.76  1450.54  1223.13   33.555  1202.12   34.140 21.01489 47.86922 
1 1 1  -13    2   17 o  1063.25   21.500 20118.24  807.947 20234.76  1142.64 20001.73  1142.58  1066.35   30.317  1060.15   30.493 6.200439 42.99928 
1 1 1  -13    2   19 o  1264.96   24.811 28574.66  1109.23 28862.14  1568.73 28287.21  1568.65  1271.39   34.910  1258.54   35.265 12.85852 49.62146 
1 1 1  -13    2   21 o  808.377   25.229 11702.14  720.248 11162.76  1018.72 12241.22  1018.45  789.503   36.508  827.252   34.832 -37.74872 50.45871 
1 1 1  -13    2   23 o  582.139   17.684  5992.70  344.054  6175.23  596.228  5901.57  421.269  587.995   28.689  576.284   20.682 11.71118 35.36718 
1 1 1  -13    2   25 o  791.159   21.594 11270.45  568.026 11174.30  984.152 11318.49  695.579  786.379   35.409  795.938   24.726 -9.558228 43.18718 
1 1 1  -13    2   27 f  235.618   12.757  947.777  101.659  1130.97  176.663  857.083  124.301  251.724   19.856  219.513   16.021 32.21115 25.51390 
1 1 1  -13    2   29 o  408.511   15.966  3051.55  214.912  2844.93  372.533  3154.62  263.109  396.672   26.571  420.351   17.709 -23.67856 31.93206 
1 1 1  -13    2   31 o  729.034   20.638  9695.96  500.584  9734.96  867.408  9676.48  612.957  726.114   33.799  731.955   23.693 -5.841309 41.27610 
1 1 1  -13    2   33 o  286.112   16.395  1482.60  165.646  1554.49  234.513  1411.02  234.007  293.198   22.630  279.026   23.728 14.17255 32.78940 
1 1 1  -13    2   35 o  503.948   19.608  4665.97  348.716  4959.35  493.510  4373.42  492.807  520.382   26.832  487.514   28.600 32.86774 39.21644 
1 1 1  -13    2   37 o  210.400   15.612  807.112  114.995  937.240  163.294  679.091  161.968  227.734   20.287  193.066   23.736 34.66899 31.22431 
1 1 1  -13    2   39 o  610.572   22.048  6999.25  475.801  7045.59  673.113  6952.99  672.656  612.705   31.083  608.440   31.279 4.265137 44.09663 
1 1 1  -13    2   41 o  636.534   22.915  7734.66  515.006  7358.52  728.390  8110.67  728.268  619.813   33.249  653.254   31.542 -33.44055 45.83028 
1 1 1  -13    2   43 o   55.340   14.077   47.893   35.318   38.187   49.778   57.731   50.119   52.361   19.737   58.320   20.078 -5.959339 28.15442 
1 1 1  -13    2   45 f  428.622   15.324  3419.59  218.633  3522.12  379.874  3368.80  267.353  429.254   25.038  427.990   17.674 1.263702 30.64771 
1 1 1  -13    2   47 f  264.693   17.289  1381.54  161.659  1352.15  230.292  1410.09  226.986  261.376   24.928  268.010   23.962 -6.634033 34.57758 
1 1 1  -13    3    2 o  834.770   18.040 12360.97  532.223 12212.62  752.682 12509.32  752.674  829.742   25.665  839.798   25.358 -10.05597 36.07950 
1 1 1  -13    3    4 o  1218.18   23.968 26398.43  1031.80 26913.83  1459.23 25883.09  1459.14  1230.15   33.562  1206.21   34.226 23.93921 47.93549 
1 1 1  -13    3    6 o  1246.81   24.430 27659.52  1076.53 27900.41  1522.47 27418.65  1522.41  1252.28   34.398  1241.35   34.699 10.93188 48.85920 
1 1 1  -13    3    8 o  913.507   19.074 14812.15  615.655 15232.31  870.726 14392.09  870.609  926.519   26.589  900.496   27.354 26.02277 38.14753 
1 1 1  -13    3   10 o  525.046   13.425  4883.64  249.023  5058.98  352.247  4708.44  352.096  534.491   18.646  515.602   19.321 18.88922 26.85091 
1 1 1  -13    3   12 o  179.786   14.327  607.195   82.808  669.086  101.452  483.659  143.333  194.447   14.762  165.125   24.559 29.32234 28.65420 
1 1 1  -13    3   14 o  626.056   15.060  6949.33  333.109  7172.87  471.154  6725.92  471.021  636.155   20.955  615.957   21.636 20.19818 30.11970 
1 1 1  -13    3   16 o  419.447   12.764  3117.91  189.094  3250.89  267.498  2985.08  267.341  428.412   17.666  410.483   18.427 17.92905 25.52720 
1 1 1  -13    3   18 f  417.576   15.288  3067.91  213.418  3170.94  370.067  3016.56  261.237  422.538   24.780  412.614   17.913 9.923553 30.57622 
1 1 1  -13    3   20 o  492.132   26.997  4310.41  469.596   0.0000   0.0000  4310.41  469.596  ?   ?   492.132   26.997      ?      ? 
1 1 1  -13    3   22 o  982.120   29.093 17396.51  1009.42 16802.70  1427.73 17990.01  1427.35  965.015   41.859  999.225   40.415 -34.20929 58.18586 
1 1 1  -13    3   24 o   74.778   13.489  107.664   34.872   80.797   61.312  120.510   42.397   68.455   22.184   81.101   15.353 -12.64584 26.97865 
1 1 1  -13    3   26 o  783.981   21.176 11007.43  554.384 11314.76  960.646 10853.97  678.829  789.621   34.421  778.342   24.676 11.27869 42.35211 
1 1 1  -13    3   28 o  187.738   13.380  628.802   83.509  632.036  145.331  627.209  102.037  187.756   21.900  187.720   15.379 0.3567505E-01 26.76047 
1 1 1  -13    3   30 o  646.076   19.160  7566.31  411.999  7600.92  714.037  7549.05  504.441  644.310   31.355  647.842   22.030 -3.531982 38.32057 
1 1 1  -13    3   32 o  642.086   18.587  7401.88  399.601  7823.68  692.702  7191.51  489.207  652.775   30.024  631.397   21.922 21.37848 37.17484 
1 1 1  -13    3   34 o  381.702   17.347  2612.41  234.031   0.0000   0.0000  2612.41  234.031  ?   ?   381.702   17.347      ?      ? 
1 1 1  -13    3   36 o  141.626   15.350  363.354   76.740  387.384  109.338  340.024  107.734  146.331   21.140  136.922   22.262 9.409103 30.70032 
1 1 1  -13    3   38 o  503.396   28.143  4694.05  500.729  4694.05  500.729   0.0000   0.0000  503.396   28.143  ?   ?       ?      ? 
1 1 1  -13    3   40 o  469.829   27.453  4107.94  455.885  4107.94  455.885   0.0000   0.0000  469.829   27.453  ?   ?       ?      ? 
1 1 1  -13    3   42 o  276.163   23.675  1413.49  231.084  1413.49  231.084   0.0000   0.0000  276.163   23.675  ?   ?       ?      ? 
1 1 1  -13    3   44 o  118.960   24.567  275.381   99.873  275.381   99.873   0.0000   0.0000  118.960   24.567  ?   ?       ?      ? 
1 1 1  -13    3   46 o  192.335   23.259  711.307  158.114  711.307  158.114   0.0000   0.0000  192.335   23.259  ?   ?       ?      ? 
1 1 1  -13    4    1 o  851.419   18.050 12862.33  543.017 12521.50  767.951 13203.15  767.932  840.093   25.863  862.744   25.184 -22.65149 36.09903 
1 1 1  -13    4    3 o  673.549   15.509  8040.13  369.189  8153.05  522.153  7927.25  522.071  678.291   21.780  668.806   22.086 9.484680 31.01855 
1 1 1  -13    4    5 o  895.108   19.085 14221.50  603.641 14584.34  853.705 13858.70  853.648  906.576   26.643  883.640   27.333 22.93622 38.16974 
1 1 1  -13    4    7 o  998.872   20.715 17723.71  731.150 18163.96  1034.04 17283.53  1033.96  1011.34   28.928  986.403   29.657 24.93762 41.42931 
1 1 1  -13    4    9 f  437.573   13.042  3392.75  201.511  3567.36  285.053  3218.31  284.906  448.857   17.968  426.289   18.909 22.56860 26.08468 
1 1 1  -13    4   11 o  676.774   15.741  8121.21  376.406  8369.67  532.400  7872.90  532.238  687.158   21.921  666.390   22.597 20.76727 31.48288 
1 1 1  -13    4   13 o  299.151   14.123  1578.54  140.936  1607.48  244.610  1564.16  172.434  301.064   22.988  297.237   16.413 3.827057 28.24593 
1 1 1  -13    4   15 o  489.531   16.933  4310.55  274.043  4085.15  475.049  4422.97  335.495  479.435   28.034  499.628   18.998 -20.19281 33.86531 
1 1 1  -13    4   17 o  1066.80   25.994 20152.71  927.391 20880.39  1606.73 19789.16  1135.66  1079.32   42.118  1054.27   30.477 25.04565 51.98864 
1 1 1  -13    4   19 f  772.195   34.378 10656.25  938.267   0.0000   0.0000 10656.25  938.267  ?   ?   772.195   34.378      ?      ? 
1 1 1  -13    4   21 o  1140.30   27.886 23307.24  1060.18 23604.38  1836.70 23158.77  1298.31  1142.49   45.485  1138.10   32.276 4.387085 55.77260 
1 1 1  -13    4   23 o  873.567   26.639 13767.99  822.503 13707.59  1163.46 13828.34  1162.93  871.607   37.767  875.526   37.581 -3.919434 53.27883 
1 1 1  -13    4   25 o  534.680   17.187  5103.87  306.168  5143.40  530.822  5084.17  374.794  535.156   28.064  534.203   19.850 0.9521484 34.37464 
1 1 1  -13    4   27 o  166.337   13.984  510.749   75.765  449.946  132.061  540.581   92.503  158.328   23.599  174.346   15.011 -16.01804 27.96892 
1 1 1  -13    4   29 o  346.851   14.627  2141.16  169.387  2208.25  294.011  2107.82  207.235  350.075   23.762  343.627   17.063 6.448456 29.25368 
1 1 1  -13    4   31 o  509.293   16.563  4620.05  282.553  4899.72  490.050  4480.78  345.824  518.979   26.716  499.607   19.584 19.37164 33.12529 
1 1 1  -13    4   33 o  372.239   15.105  2494.77  187.190  2520.11  324.903  2482.18  229.021  372.340   24.688  372.137   17.412 0.2028503 30.21094 
1 1 1  -13    4   35 o  444.322   18.566  3613.25  291.460  3725.09  412.865  3502.14  411.512  451.394   25.878  437.249   26.628 14.14484 37.13100 
1 1 1  -13    4   37 o  345.118   24.509  2176.18  298.965  2176.18  298.965   0.0000   0.0000  345.118   24.509  ?   ?       ?      ? 
1 1 1  -13    4   41 o   81.166   23.006  124.712   69.021  124.712   69.021   0.0000   0.0000   81.166   23.006  ?   ?       ?      ? 
1 1 1  -13    4   45 o  210.585   23.410  843.781  174.238  843.781  174.238   0.0000   0.0000  210.585   23.410  ?   ?       ?      ? 
1 1 1  -13    4   47 o  160.206   16.087  477.871   91.092   0.0000   0.0000  477.871   91.092  ?   ?   160.206   16.087      ?      ? 
1 1 1  -13    5    2 o  585.889   14.758  6082.60  305.592  6165.31  432.215  5999.93  432.130  589.882   20.731  581.896   21.011 7.986267 29.51662 
1 1 1  -13    5    4 o  1098.67   22.311 21459.72  866.365 21424.73  1225.25 21494.70  1225.20  1097.77   31.579  1099.57   31.525 -1.802246 44.62139 
1 1 1  -13    5    6 o  453.172   13.297  3638.98  212.805  3813.90  301.064  3464.32  300.841  464.085   18.354  442.260   19.246 21.82507 26.59494 
1 1 1  -13    5    8 o  274.682   15.127  1390.45  135.110  1194.74  234.783  1487.36  165.206  259.486   25.600  289.877   16.125 -30.39148 30.25468 
1 1 1  -13    5   10 o  558.399   17.355  5506.49  323.469  5608.32  560.692  5455.69  396.016  561.902   28.232  554.895   20.192 7.007141 34.70984 
1 1 1  -13    5   12 f  554.129   16.900  5398.03  313.250  5599.83  543.000  5297.37  383.497  561.488   27.361  546.770   19.844 14.71820 33.80013 
1 1 1  -13    5   14 o  383.197   16.308  2712.92  203.203  2315.68  352.308  2910.94  248.748  360.984   27.613  405.409   17.360 -44.42529 32.61663 
1 1 1  -13    5   16 o  866.693   23.214 13507.90  666.863 13041.33  1155.45 13740.94  816.593  854.034   38.278  879.351   26.274 -25.31720 46.42796 
1 1 1  -13    5   18 o  1412.79   38.561 35767.96  1925.53   0.0000   0.0000 35767.96  1925.53  ?   ?   1412.79   38.561      ?      ? 
1 1 1  -13    5   20 o  755.770   20.421 10118.96  515.563 10391.25  893.521  9983.05  631.242  762.256   33.165  749.283   23.836 12.97308 40.84212 
1 1 1  -13    5   22 o  615.437   18.007  6695.85  370.549  6935.52  642.326  6576.31  453.645  622.750   29.182  608.124   21.106 14.62585 36.01492 
1 1 1  -13    5   24 o  1339.70   32.353 32796.72  1445.49 33597.97  2504.21 32396.36  1770.16  1343.38   52.741  1336.03   37.487 7.356201 64.70631 
1 1 1  -13    5   26 o  390.671   17.511  2719.05  241.786   0.0000   0.0000  2719.05  241.786  ?   ?   390.671   17.511      ?      ? 
1 1 1  -13    5   28 o  140.750   12.710  344.101   59.940  384.286  105.140  324.752   72.957  146.463   20.310  135.037   15.286 11.42613 25.41998 
1 1 1  -13    5   30 o  472.795   16.364  4020.22  257.747  4074.68  447.149  3993.11  315.421  473.559   26.715  472.032   18.906 1.527008 32.72824 
1 1 1  -13    5   32 o  651.119   22.732  7844.95  522.983  7635.51  740.122  8053.81  739.099  642.010   32.617  660.229   31.673 -18.21857 45.46457 
1 1 1  -13    5   34 o  518.036   28.260  4932.93  517.424   0.0000   0.0000  4932.93  517.424  ?   ?   518.036   28.260      ?      ? 
1 1 1  -13    5   36 o  491.235   20.055  4457.39  347.478  4148.12  492.149  4764.80  490.671  473.443   29.411  509.026   27.273 -35.58252 40.10995 
1 1 1  -13    5   38 o  263.807   16.319  1271.28  152.148  1284.12  216.668  1258.79  213.702  265.104   23.124  262.510   23.033 2.594025 32.63756 
1 1 1  -13    5   40 o  164.251   16.179  497.164   93.478  449.406  133.440  543.185  130.990  156.116   24.183  172.387   21.499 -16.27103 32.35801 
1 1 1  -13    5   42 o  255.744   14.528  1236.89  120.623  1102.50  211.175  1301.96  146.955  243.038   24.584  268.451   15.488 -25.41295 29.05592 
1 1 1  -13    5   44 o  191.344   14.944  664.871  101.063   0.0000   0.0000  664.871  101.063  ?   ?   191.344   14.944      ?      ? 
1 1 1  -13    5   46 o  110.975   23.169  245.598   87.943   0.0000   0.0000  245.598   87.943  ?   ?   110.975   23.169      ?      ? 
1 1 1  -13    5   48 o   58.437   16.431   66.516   35.353   0.0000   0.0000   66.516   35.353  ?   ?    58.437   16.431      ?      ? 
1 1 1  -13    6    1 o  276.046   15.987  1456.59  140.032  1090.68  242.774  1639.02  171.422  247.804   27.719  304.288   15.939 -56.48354 31.97466 
1 1 1  -13    6    3 o  1269.56   30.377 28900.74  1282.31 28582.40  2221.37 29059.83  1570.39  1261.74   49.812  1277.38   34.783 -15.64160 60.75418 
1 1 1  -13    6    5 o  1372.26   33.245 33975.96  1513.46 33075.50  2621.75 34426.00  1853.48  1355.13   54.738  1389.40   37.743 -34.26550 66.48928 
1 1 1  -13    6    7 o  659.655   19.555  7814.38  427.087  7477.48  740.126  7982.56  522.935  648.282   32.301  671.028   22.049 -22.74573 39.10931 
1 1 1  -13    6    9 o  490.190   16.550  4262.28  270.052  4261.12  468.487  4262.85  330.483  489.839   27.060  490.542   19.061 -0.7036133 33.09932 
1 1 1  -13    6   11 o  438.550   15.594  3382.24  228.525  3496.31  396.614  3325.54  279.605  443.807   25.284  433.293   18.258 10.51343 31.18723 
1 1 1  -13    6   13 o  396.804   18.449  2808.81  257.150  2456.97  364.224  3158.50  363.108  371.790   27.717  421.818   24.355 -50.02740 36.89742 
1 1 1  -13    6   15 o  1218.70   29.006 26435.13  1180.72 27131.97  2045.55 26086.96  1445.91  1228.03   47.128  1209.36   33.827 18.67078 58.01155 
1 1 1  -13    6   17 o  302.707   12.948  1548.68  132.453  1882.38  231.233  1385.73  161.590  325.745   20.084  279.668   16.348 46.07666 25.89616 
1 1 1  -13    6   19 o  565.026   20.369  5692.77  406.785  5692.51  576.062  5693.02  574.502  565.006   28.847  565.045   28.767 -0.3900146E-01 40.73876 
1 1 1  -13    6   21 o  784.698   21.210 10972.05  555.167 11151.18  962.249 10882.68  679.700  787.910   34.553  781.485   24.608 6.424805 42.42039 
1 1 1  -13    6   23 o  893.049   22.643 14185.32  677.042 14913.64  1173.39 13821.82  828.950  907.488   36.583  878.610   26.694 28.87720 45.28672 
1 1 1  -13    6   25 o  111.891   12.182  206.350   45.724  277.723   82.016  174.162   55.078  124.818   18.591   98.964   15.746 25.85385 24.36326 
1 1 1  -13    6   27 o  650.438   22.340  7716.27  513.566  7671.88  726.779  7760.54  725.806  648.496   31.708  652.380   31.477 -3.884521 44.67946 
1 1 1  -13    6   29 o  278.906   23.237  1402.96  229.063  1402.96  229.063   0.0000   0.0000  278.906   23.237  ?   ?       ?      ? 
1 1 1  -13    6   31 o  483.767   19.373  4272.92  331.247  4249.79  469.252  4295.89  467.659  482.392   27.522  485.143   27.273 -2.750641 38.74691 
1 1 1  -13    6   33 o  515.942   20.545  4909.22  373.379  4468.99  528.666  5347.36  527.412  491.833   30.412  540.051   27.631 -48.21796 41.08953 
1 1 1  -13    6   35 o  295.650   12.848  1479.49  128.388  1896.21  225.197  1278.83  156.272  324.241   19.651  267.059   16.556 57.18213 25.69519 
1 1 1  -13    6   37 o  580.800   21.663  6305.60  444.522  6123.74  629.886  6486.04  627.419  571.910   31.161  589.690   30.103 -17.77991 43.32699 
1 1 1  -13    6   39 o  540.193   15.500  5166.67  258.340  5679.31  519.438  4998.19  297.780  553.298   26.562  527.089   15.984 26.20911 31.00022 
1 1 1  -13    6   41 o  499.777   17.078  4674.87  281.492  4520.70  489.877  4750.87  343.946  489.040   28.342  510.515   19.062 -21.47574 34.15535 
1 1 1  -13    6   43 o  578.446   18.386  6371.05  351.587  6315.69  611.551  6398.38  429.698  569.089   30.404  587.803   20.683 -18.71313 36.77217 
1 1 1  -13    6   45 o  235.731   13.535  1027.01  104.966  1072.84  187.154  1005.97  126.784  237.191   22.324  234.270   15.312 2.920258 27.07085 
1 1 1  -13    6   47 o  136.854   16.425  351.643   79.450   0.0000   0.0000  351.643   79.450  ?   ?   136.854   16.425      ?      ? 
1 1 1  -13    7    2 o  145.302   14.055  374.450   67.745  373.191  118.253  375.065   82.652  145.051   23.066  145.553   16.066 -0.5015564 28.10986 
1 1 1  -13    7    4 o  589.192   19.526  6469.02  372.307  5368.45  645.089  7018.71  455.899  549.083   33.240  629.301   20.497 -80.21771 39.05158 
1 1 1  -13    7    6 o  403.306   16.140  2962.67  213.547  2668.31  370.236  3109.42  261.412  387.598   27.026  419.014   17.651 -31.41571 32.27934 
1 1 1  -13    7    8 o  1471.11   36.096 39590.02  1751.28 37072.26  3033.67 40848.46  2144.75  1430.40   60.005  1511.82   40.138 -81.42017 72.19216 
1 1 1  -13    7   10 o  732.660   20.937  9648.78  507.968  9252.20  880.329  9846.73  621.953  720.400   34.574  744.921   23.623 -24.52124 41.87358 
1 1 1  -13    7   12 o  599.615   15.928  6101.23  323.352  7341.97  561.206  5484.63  395.622  643.020   24.693  556.211   20.124 86.80914 31.85502 
1 1 1  -13    7   14 o  1018.73   29.899 18479.12  1076.56   0.0000   0.0000 18479.12  1076.56  ?   ?   1018.73   29.899      ?      ? 
1 1 1  -13    7   16 o  1146.26   28.792 23807.43  1093.21 22954.61  1894.02 24233.49  1338.72  1127.45   47.530  1165.08   32.510 -37.62842 57.58447 
1 1 1  -13    7   18 o  472.751   26.565  3980.63  443.884   0.0000   0.0000  3980.63  443.884  ?   ?   472.751   26.565      ?      ? 
1 1 1  -13    7   20 o  443.257   14.057  3340.42  210.733  4007.69  366.515  3010.90  257.564  474.643   21.848  411.871   17.693 62.77283 28.11344 
1 1 1  -13    7   22 o  254.537   22.605  1155.68  203.369   0.0000   0.0000  1155.68  203.369  ?   ?   254.537   22.605      ?      ? 
1 1 1  -13    7   24 o  626.278   21.956  7100.11  485.660  6806.27  687.405  7392.96  686.252  613.013   31.727  639.542   30.359 -26.52979 43.91208 
1 1 1  -13    7   26 o  792.360   25.392 11545.44  711.063 11418.04  1006.05 11672.61  1005.14  787.800   36.131  796.920   35.685 -9.119263 50.78313 
1 1 1  -13    7   28 o  321.043   16.805  1859.56  190.674  1891.29  270.784  1828.35  268.538  323.788   23.661  318.297   23.870 5.490662 33.61011 
1 1 1  -13    7   30 o  238.110   13.601  1003.12  107.905  1062.59  189.237  974.467  131.351  242.671   22.063  233.548   15.912 9.123352 27.20273 
1 1 1  -13    7   32 o  289.963   13.790  1480.18  133.816  1615.49  234.089  1414.50  163.091  298.831   22.163  281.096   16.416 17.73557 27.58047 
1 1 1  -13    7   34 o  400.568   15.884  2933.05  210.189  2844.75  366.110  2976.47  256.713  394.127   26.282  407.008   17.845 -12.88101 31.76770 
1 1 1  -13    7   36 o  606.381   17.652  6784.48  324.085  6631.57  650.195  6835.04  373.835  596.155   30.858  616.607   17.153 -20.45239 35.30494 
1 1 1  -13    7   38 o  306.718   13.335  1682.58  144.561   0.0000   0.0000  1682.58  144.561  ?   ?   306.718   13.335      ?      ? 
1 1 1  -13    7   40 o  112.672   12.291  200.738   43.281  296.657   90.216  172.063   49.328  127.483   20.022   97.860   14.262 29.62366 24.58212 
1 1 1  -13    7   42 o  275.315   12.645  1338.83  105.322  1473.60  218.082  1297.84  120.279  281.854   21.891  268.775   12.661 13.07932 25.28929 
1 1 1  -13    7   44 o   48.711   13.348   30.986   23.777   22.437   71.164   32.061   25.227   54.489   22.577   42.933   14.246 11.55542 26.69605 
1 1 1  -13    7   46 o  143.416   22.401  401.513  113.548   0.0000   0.0000  401.513  113.548  ?   ?   143.416   22.401      ?      ? 
1 1 1  -13    8    1 o  509.024   18.640  4862.77  305.527  3930.62  529.541  5327.92  374.069  469.762   31.893  548.286   19.303 -78.52353 37.27999 
1 1 1  -13    8    3 o  1095.62   29.131 22175.29  1043.27 19578.22  1807.30 23473.14  1277.62  1043.06   49.023  1148.18   31.483 -105.1205 58.26177 
1 1 1  -13    8    5 o  1055.79   27.775 20539.55  959.481 18230.91  1662.17 21693.24  1175.01  1007.41   46.682  1104.16   30.109 -96.74890 55.54927 
1 1 1  -13    8    7 o  349.606   17.799  2165.24  219.934   0.0000   0.0000  2165.24  219.934  ?   ?   349.606   17.799      ?      ? 
1 1 1  -13    8    9 f  548.476   18.925  5554.29  338.033  4783.56  585.898  5938.85  413.860  518.183   31.990  578.769   20.231 -60.58569 37.85091 
1 1 1  -13    8   11 o  569.659   18.380  5858.40  345.677  5503.42  599.223  6035.45  423.191  555.927   30.497  583.391   20.524 -27.46344 36.75953 
1 1 1  -13    8   13 o  475.390   19.462  4370.42  291.507  3173.07  505.492  4967.01  356.814  421.511   33.930  529.270   19.074 -107.7593 38.92400 
1 1 1  -13    8   15 o  719.084   32.896  9236.58  836.081   0.0000   0.0000  9236.58  836.081  ?   ?   719.084   32.896      ?      ? 
1 1 1  -13    8   19 o  748.971   24.037 10078.85  636.247  9942.62  900.222 10214.81  899.355  743.824   34.242  754.118   33.742 -10.29407 48.07329 
1 1 1  -13    8   21 o  194.777   16.281  681.031  111.326  599.425  159.027  759.458  155.898  183.135   24.569  206.419   21.368 -23.28421 32.56112 
1 1 1  -13    8   23 o  485.405   27.094  4239.93  464.833   0.0000   0.0000  4239.93  464.833  ?   ?   485.405   27.094      ?      ? 
1 1 1  -13    8   25 o  758.862   34.798 10562.29  933.327 10562.29  933.327   0.0000   0.0000  758.862   34.798  ?   ?       ?      ? 
1 1 1  -13    8   27 o  444.641   18.367  3581.70  288.406  3759.05  408.958  3406.22  406.785  455.837   25.383  433.445   26.553 22.39261 36.73372 
1 1 1  -13    8   29 o  111.226   16.827  232.207   64.010  228.698   94.124  235.227   87.308  110.243   24.761  112.208   22.792 -1.964905 33.65420 
1 1 1  -13    8   31 o  363.663   17.356  2404.01  223.011  2484.88  317.066  2324.84  313.731  369.834   24.256  357.492   24.830 12.34113 34.71132 
1 1 1  -13    8   33 o  288.872   16.677  1517.28  170.244  1516.17  242.858  1518.35  238.718  288.694   23.801  289.050   23.366 -0.3561707 33.35379 
1 1 1  -13    8   35 o  361.355   15.301  2369.66  183.040  2364.82  319.970  2372.02  223.161  359.429   25.187  363.280   17.380 -3.851074 30.60154 
1 1 1  -13    8   37 o  540.236   16.173  5198.24  293.231  5778.44  511.285  4913.87  357.950  559.618   25.849  520.854   19.444 38.76373 32.34602 
1 1 1  -13    8   39 o   65.391   14.861   78.314   34.400   46.705   82.212   85.023   37.875   63.414   24.970   67.367   16.122 -3.952816 29.72220 
1 1 1  -13    8   41 o  259.625   14.917  1324.36  110.888  1094.96  228.847  1394.75  126.764  240.560   26.915  278.691   12.869 -38.13055 29.83390 
1 1 1  -13    8   43 o  103.381   14.047  173.588   37.109  249.181   98.410  161.057   40.066  112.178   25.410   94.583   11.985 17.59539 28.09450 
1 1 1  -13    8   45 o  156.050   15.643  450.345   86.281   0.0000   0.0000  450.345   86.281  ?   ?   156.050   15.643      ?      ? 
1 1 1  -13    8   47 o  123.366   14.238  283.459   62.081   0.0000   0.0000  283.459   62.081  ?   ?   123.366   14.238      ?      ? 
1 1 1  -13    9    2 o  800.643   25.012 11388.02  707.797   0.0000   0.0000 11388.02  707.797  ?   ?   800.643   25.012      ?      ? 
1 1 1  -13    9    4 o  461.849   17.193  3932.16  258.707  3397.70  448.566  4198.55  316.684  436.958   29.045  486.741   18.408 -49.78262 34.38676 
1 1 1  -13    9    6 o  629.222   21.495  7050.67  478.016  7109.55  676.326  6991.90  675.709  631.865   30.284  626.580   30.511 5.285706 42.98910 
1 1 1  -13    9    8 o  338.147   16.971  2031.39  202.746  1964.58  286.967  2097.99  286.487  332.565   24.414  343.730   23.581 -11.16544 33.94269 
1 1 1  -13    9   10 f  367.132   17.288  2395.17  224.326  2415.43  317.494  2374.97  316.995  368.689   24.364  365.575   24.533 3.114594 34.57608 
1 1 1  -13    9   12 o  518.119   19.652  4781.10  359.762  4647.61  509.160  4914.19  508.401  510.837   28.200  525.401   27.378 -14.56302 39.30372 
1 1 1  -13    9   14 o  735.644   23.647  9679.38  614.840  9608.31  869.784  9750.35  869.245  732.910   33.577  738.378   33.308 -5.468384 47.29488 
1 1 1  -13    9   16 o  404.044   25.193  2908.23  359.772   0.0000   0.0000  2908.23  359.772  ?   ?   404.044   25.193      ?      ? 
1 1 1  -13    9   18 o  787.689   24.927 11178.17  693.801 10892.73  981.599 11463.13  980.766  777.438   35.723  797.940   34.776 -20.50122 49.85459 
1 1 1  -13    9   20 o  484.057   19.108  4201.00  326.915  4218.37  462.922  4183.71  461.735  485.061   27.002  483.054   27.044 2.007416 38.21637 
1 1 1  -13    9   22 o  184.621   16.469  616.673  106.137  512.946  151.460  716.760  148.778  168.981   25.359  200.260   21.020 -31.27917 32.93814 
1 1 1  -13    9   24 o  323.756   16.657  1885.77  190.351  2005.83  270.233  1767.53  268.173  334.147   22.881  313.365   24.213 20.78168 33.31382 
1 1 1  -13    9   26 o  125.325   16.892  292.451   72.646  235.734  104.371  345.750  101.177  111.859   26.758  138.791   20.625 -26.93168 33.78489 
1 1 1  -13    9   28 o  185.055   15.495  616.927  101.275  650.310  145.526  585.575  141.028  189.945   21.677  180.166   22.147 9.779083 30.98971 
1 1 1  -13    9   30 o  318.845   24.127  1846.11  271.895  1846.11  271.895   0.0000   0.0000  318.845   24.127  ?   ?       ?      ? 
1 1 1  -13    9   32 o  205.375   11.482  710.301   78.945  898.484  141.509  625.270   95.123  223.644   17.902  187.106   14.384 36.53764 22.96490 
1 1 1  -13    9   34 o  191.246   15.561  655.087  105.183   0.0000   0.0000  655.087  105.183  ?   ?   191.246   15.561      ?      ? 
1 1 1  -13    9   36 o  423.533   15.987  3292.83  223.232  3220.86  390.858  3327.67  271.949  417.560   26.484  429.507   17.914 -11.94641 31.97359 
1 1 1  -13    9   38 o  180.508   13.790  576.593   80.320  631.458  150.334  554.675   95.018  185.393   22.943  175.622   15.308 9.771088 27.58047 
1 1 1  -13    9   40 o   44.862   13.263   17.609   23.491  -3.8235   76.465   19.842   24.684   52.126   22.561   37.598   13.952 14.52809 26.52690 
1 1 1  -13    9   42 o   99.903   16.621  211.548   53.135  140.327  108.648  233.938   60.916   86.338   29.569  113.468   15.189 -27.13070 33.24212 
1 1 1  -13    9   44 o  215.826   23.065  899.741  175.949   0.0000   0.0000  899.741  175.949  ?   ?   215.826   23.065      ?      ? 
1 1 1  -13    9   46 o  217.078   15.592  882.923  119.631   0.0000   0.0000  882.923  119.631  ?   ?   217.078   15.592      ?      ? 
1 1 1  -13   10    1 o  610.273   20.961  7041.80  410.460  5599.92  711.469  7761.13  502.521  559.353   35.987  661.193   21.503 -101.8397 41.92237 
1 1 1  -13   10    3 o  634.689   21.924  7214.57  488.732  6292.42  691.242  8136.34  691.101  593.589   32.948  675.789   28.934 -82.19922 43.84895 
1 1 1  -13   10    5 o  507.797   20.005  4632.85  354.202  3768.34  501.089  5496.16  500.744  459.662   30.843  555.933   25.484 -96.27179 40.00927 
1 1 1  -13   10    7 o  751.935   23.849 10105.01  633.649 10389.55  896.514  9820.97  895.716  762.628   33.260  741.242   34.189 21.38635 47.69851 
1 1 1  -13   10    9 f  929.390   39.163 15499.83  1286.47   0.0000   0.0000 15499.83  1286.47  ?   ?   929.390   39.163      ?      ? 
1 1 1  -13   10   11 o  147.775   15.776  387.972   82.396  390.913  117.289  385.106  115.778  148.326   22.373  147.225   22.250 1.101593 31.55294 
1 1 1  -13   10   13 o  386.625   17.884  2668.79  243.528  2416.99  344.872  2919.22  343.930  368.244   26.497  405.005   24.026 -36.76114 35.76841 
1 1 1  -13   10   17 o  330.599   24.011  1950.58  280.562  1950.58  280.562   0.0000   0.0000  330.599   24.011  ?   ?       ?      ? 
1 1 1  -13   10   19 o  428.044   18.459  3289.04  278.881  3097.60  394.950  3479.41  393.848  415.417   26.899  440.671   25.287 -25.25452 36.91860 
1 1 1  -13   10   21 o  232.288   15.904  966.638  130.452  1021.81  185.729  912.919  183.269  238.898   21.996  225.678   22.976 13.22084 31.80790 
1 1 1  -13   10   23 o  259.825   15.908  1213.62  145.670  1330.66  207.510  1099.91  204.539  272.358   21.557  247.292   23.402 25.06656 31.81694 
1 1 1  -13   10   25 o  391.405   17.374  2774.92  239.199  3096.10  339.486  2458.26  337.085  414.427   23.177  368.383   25.889 46.04501 34.74791 
1 1 1  -13   10   27 o  349.645   24.406  2215.39  301.608   0.0000   0.0000  2215.39  301.608  ?   ?   349.645   24.406      ?      ? 
1 1 1  -13   10   29 o  218.926   15.778  856.984  122.090   0.0000   0.0000  856.984  122.090  ?   ?   218.926   15.778      ?      ? 
1 1 1  -13   10   31 o   69.571   8.0771   27.862   14.336  221.170   47.526   8.5141   15.036  111.455   12.065   27.688   10.743 83.76762 16.15425 
1 1 1  -13   10   33 o  619.184   17.286  6804.27  359.739  7635.76  626.539  6395.35  439.383  643.953   27.528  594.415   20.914 49.53778 34.57133 
1 1 1  -13   10   35 o  300.407   11.450  1465.95  114.627  2133.48  209.438  1180.49  136.961  344.218   17.215  256.596   15.102 87.62152 22.90007 
1 1 1  -13   10   37 o  289.140   14.184  1470.20  135.634  1667.74  244.640  1382.52  162.976  301.397   22.965  276.884   16.654 24.51379 28.36786 
1 1 1  -13   10   39 o  313.250   14.511  1764.25  150.372  1903.84  267.985  1700.10  181.667  320.209   23.679  306.290   16.781 13.91895 29.02216 
1 1 1  -13   10   41 o  336.364   17.010  2066.74  202.225   0.0000   0.0000  2066.74  202.225  ?   ?   336.364   17.010      ?      ? 
1 1 1  -13   10   43 o  231.985   15.930  1021.58  129.875  1183.93  192.441  885.791  176.000  249.313   21.839  214.657   23.198 34.65552 31.86034 
1 1 1  -13   10   45 o   82.073   22.139  137.243   65.697   0.0000   0.0000  137.243   65.697  ?   ?    82.073   22.139      ?      ? 
1 1 1  -13   11    4 o  146.710   21.975  382.463  113.947   0.0000   0.0000  382.463  113.947  ?   ?   146.710   21.975      ?      ? 
1 1 1  -13   11    6 o  177.480   22.173  559.803  139.089   0.0000   0.0000  559.803  139.089  ?   ?   177.480   22.173      ?      ? 
1 1 1  -13   11    8 f  391.394   17.720  2728.13  245.076  2664.24  347.096  2791.64  346.086  386.785   25.390  396.003   24.727 -9.218292 35.44077 
1 1 1  -13   11   10 o  385.199   17.541  2643.90  238.633  2765.06  337.851  2523.27  337.105  394.076   24.256  376.322   25.345 17.75339 35.08159 
1 1 1  -13   11   12 o  325.747   16.918  1891.92  194.561  1790.40  275.342  1993.16  274.959  316.940   24.580  334.554   23.253 -17.61420 33.83586 
1 1 1  -13   11   14 o  176.872   15.746  556.575   98.307  597.825  141.654  518.249  136.542  183.211   21.875  170.534   22.653 12.67667 31.49145 
1 1 1  -13   11   16 o  519.528   27.918  4843.20  512.649  4843.20  512.649   0.0000   0.0000  519.528   27.918  ?   ?       ?      ? 
1 1 1  -13   11   18 o  325.214   17.133  1897.40  196.695  1800.76  279.298  1992.49  277.054  316.855   24.940  333.572   23.499 -16.71732 34.26651 
1 1 1  -13   11   20 o  396.764   17.848  2833.37  250.288  2854.42  354.734  2812.50  353.194  398.242   25.202  395.285   25.280 2.957520 35.69643 
1 1 1  -13   11   22 o  633.289   22.018  7318.96  492.839  7309.97  697.366  7327.92  696.595  632.877   31.176  633.701   31.101 -0.8245239 44.03666 
1 1 1  -13   11   24 f  365.955   17.587  2423.77  227.363  2343.43  322.050  2503.61  321.032  359.749   25.328  372.161   24.406 -12.41211 35.17345 
1 1 1  -13   11   26 o  187.437   16.193  637.204  106.842  581.958  152.728  690.152  149.517  179.226   24.110  195.648   21.622 -16.42139 32.38522 
1 1 1  -13   11   28 o  559.477   17.119  5577.96  321.174  6031.15  557.943  5353.36  392.775  573.938   27.505  545.015   20.390 28.92310 34.23810 
1 1 1  -13   11   30 o  201.267   13.815  735.500   91.128  714.524  161.301  745.334  110.441  198.394   23.003  204.140   15.307 -5.745529 27.63054 
1 1 1  -13   11   32 o  209.834   14.729  775.725  101.424  854.187  184.540  741.767  121.404  216.393   24.128  203.275   16.898 13.11844 29.45699 
1 1 1  -13   11   34 o  207.594   15.517  773.234  113.851   0.0000   0.0000  773.234  113.851  ?   ?   207.594   15.517      ?      ? 
1 1 1  -13   11   36 o  413.928   14.252  2967.01  198.755  3622.03  349.365  2653.57  241.675  444.783   22.223  383.074   17.850 61.70834 28.50420 
1 1 1  -13   11   38 o  270.470   12.039  1242.96  109.127  1594.22  195.348  1083.62  131.570  295.808   18.684  245.131   15.186 50.67708 24.07728 
1 1 1  -13   11   40 o  276.579   14.389  1401.39  131.148  1452.82  232.941  1377.53  158.688  278.061   23.702  275.098   16.321 2.962738 28.77760 
1 1 1  -13   11   42 o  109.643   14.441  219.317   55.962   0.0000   0.0000  219.317   55.962  ?   ?   109.643   14.441      ?      ? 
1 1 1  -13   11   44 o  235.632   23.715  1103.52  197.507   0.0000   0.0000  1103.52  197.507  ?   ?   235.632   23.715      ?      ? 
1 1 1  -13   12    1 o  276.485   23.172  1361.86  226.439  1361.86  226.439   0.0000   0.0000  276.485   23.172  ?   ?       ?      ? 
1 1 1  -13   12    3 o  503.907   27.458  4536.23  489.028  4536.23  489.028   0.0000   0.0000  503.907   27.458  ?   ?       ?      ? 
1 1 1  -13   12   11 o  521.923   27.886  4878.54  514.420   0.0000   0.0000  4878.54  514.420  ?   ?   521.923   27.886      ?      ? 
1 1 1  -13   12   13 o  267.538   22.962  1278.08  217.124   0.0000   0.0000  1278.08  217.124  ?   ?   267.538   22.962      ?      ? 
1 1 1  -13   12   17 o  784.407   25.097 11244.88  695.768 11118.88  984.409 11370.67  983.520  779.854   35.714  788.961   35.270 -9.106201 50.19458 
1 1 1  -13   12   19 o  432.043   26.114  3369.23  398.763  3369.23  398.763   0.0000   0.0000  432.043   26.114  ?   ?       ?      ? 
1 1 1  -13   12   21 o  334.669   17.176  2021.10  203.122  1978.23  288.101  2063.48  286.422  331.046   24.623  338.293   23.955 -7.247864 34.35280 
1 1 1  -13   12   23 o  195.783   9.4909  618.547   62.110  898.099  112.559  496.163   74.475  224.535   14.183  167.030   12.615 57.50485 18.98178 
1 1 1  -13   12   25 o  123.358   15.622  292.888   59.975  247.815  108.266  312.843   72.038  114.359   27.185  132.358   15.399 -17.99862 31.24325 
1 1 1  -13   12   27 o  695.218   23.383  8995.96  574.029  9434.06  812.540  8559.45  811.062  712.982   32.244  677.454   33.873 35.52734 46.76583 
1 1 1  -13   12   29 o  269.244   16.463  1317.05  156.604  1319.80  224.688  1314.45  218.390  269.417   23.596  269.070   22.964 0.3475952 32.92574 
1 1 1  -13   12   31 o  524.315   15.298  4713.38  271.653  5956.67  473.440  4103.15  331.686  571.898   23.422  476.733   19.685 95.16476 30.59558 
1 1 1  -13   12   33 o  115.551   10.968  179.501   37.692  429.451   80.092  108.398   42.718  154.835   14.635   76.266   16.339 78.56908 21.93530 
1 1 1  -13   12   35 o  377.039   13.851  2481.30  175.660  2913.65  308.076  2273.03  213.824  399.174   21.836  354.904   17.046 44.26996 27.70172 
1 1 1  -13   12   37 o  282.006   13.116  1364.91  124.381  1723.92  220.512  1197.39  150.631  306.800   20.336  257.212   16.569 49.58798 26.23119 
1 1 1  -13   12   39 o  290.088   14.645  1544.07  140.664  1597.27  247.492  1518.68  170.962  291.476   24.024  288.700   16.755 2.775909 29.28902 
1 1 1  -13   12   41 o  187.556   11.939  605.979   74.685  780.609  135.143  529.194   89.613  204.879   18.663  170.233   14.894 34.64574 23.87729 
1 1 1  -13   12   43 o  247.296   23.858  1212.26  208.533   0.0000   0.0000  1212.26  208.533  ?   ?   247.296   23.858      ?      ? 
1 1 1  -13   13    2 o  211.915   22.337  801.365  167.308  801.365  167.308   0.0000   0.0000  211.915   22.337  ?   ?       ?      ? 
1 1 1  -13   13    4 f  297.357   17.083  1606.58  174.780  1187.77  246.982  2026.71  247.371  257.448   27.143  337.267   20.752 -79.81924 34.16682 
1 1 1  -13   13    6 o  244.684   22.806  1068.63  197.227  1068.63  197.227   0.0000   0.0000  244.684   22.806  ?   ?       ?      ? 
1 1 1  -13   13    8 o  161.949   22.273  468.141  127.491  468.141  127.491   0.0000   0.0000  161.949   22.273  ?   ?       ?      ? 
1 1 1  -13   13   18 o  266.026   16.501  1262.19  155.155   0.0000   0.0000  1262.19  155.155  ?   ?   266.026   16.501      ?      ? 
1 1 1  -13   13   20 o   75.238   17.944  105.258   47.047   0.0000   0.0000  105.258   47.047  ?   ?    75.238   17.944      ?      ? 
1 1 1  -13   13   22 o  333.831   13.607  1959.72  152.073  2124.78  265.513  1879.14  185.516  343.339   21.880  324.323   16.184 19.01578 27.21474 
1 1 1  -13   13   24 o   72.878   16.019   97.297   43.776   75.786   81.963  105.881   51.780   70.407   25.539   75.349   19.344 -4.941811 32.03775 
1 1 1  -13   13   26 o  361.790   14.371  2303.90  174.356  2538.24  304.237  2189.29  212.761  374.149   23.006  349.431   17.227 24.71750 28.74125 
1 1 1  -13   13   28 o  291.403   12.714  1453.03  124.646  1765.69  219.779  1304.78  151.340  312.863   19.875  269.944   15.862 42.91913 25.42892 
1 1 1  -13   13   30 o  251.908   15.774  1137.16  140.441   0.0000   0.0000  1137.16  140.441  ?   ?   251.908   15.774      ?      ? 
1 1 1  -13   13   32 o   94.680   19.241  167.729   62.193   0.0000   0.0000  167.729   62.193  ?   ?    94.680   19.241      ?      ? 
1 1 1  -13   13   34 o  570.310   20.620  5927.28  415.647   0.0000   0.0000  5927.28  415.647  ?   ?   570.310   20.620      ?      ? 
1 1 1  -13   13   36 o  154.786   11.282  381.487   57.790  606.636  106.946  288.633   68.680  183.083   16.527  126.489   15.362 56.59381 22.56441 
1 1 1  -13   13   38 o  283.775   13.709  1434.28  130.463  1635.62  228.895  1337.39  158.779  296.529   21.840  271.022   16.576 25.50671 27.41766 
1 1 1  -13   13   40 o  286.793   13.836  1488.66  133.059  1689.35  233.061  1391.62  162.068  298.578   22.085  275.008   16.674 23.56940 27.67218 
1 1 1  -13   13   42 o  126.054   24.264  322.492  104.180   0.0000   0.0000  322.492  104.180  ?   ?   126.054   24.264      ?      ? 
1 1 1  -13   14    1 o  126.883   16.307  295.686   70.971  344.142  100.057  246.625  100.681  138.791   20.397  114.975   25.449 23.81639 32.61386 
1 1 1  -13   14    3 o  445.903   18.608  3576.61  293.128  3701.04  414.386  3451.99  414.706  453.807   25.835  437.999   26.788 15.80847 37.21665 
1 1 1  -13   14    5 o  107.475   16.455  213.706   60.770  181.005   83.612  250.323   88.477   98.551   24.185  116.398   22.318 -17.84657 32.90921 
1 1 1  -13   14    7 o  346.697   17.191  2157.44  210.527  2245.32  297.805  2069.65  297.655  353.864   23.811  339.531   24.804 14.33307 34.38277 
1 1 1  -13   14    9 o  217.695   15.955  849.799  122.590  798.724  173.352  900.893  173.385  211.057   23.239  224.335   21.867 -13.27788 31.90941 
1 1 1  -13   14   11 o  347.944   17.222  2176.35  211.774  2137.08  299.295  2215.73  299.693  344.750   24.563  351.137   24.148 -6.387756 34.44481 
1 1 1  -13   14   13 o  293.962   23.199  1552.81  241.040   0.0000   0.0000  1552.81  241.040  ?   ?   293.962   23.199      ?      ? 
1 1 1  -13   14   15 o  338.141   16.477  2058.98  196.562  2213.94  279.331  1906.98  276.650  350.953   22.519  325.329   24.060 25.62421 32.95405 
1 1 1  -13   14   17 o  217.625   22.124  851.983  170.175   0.0000   0.0000  851.983  170.175  ?   ?   217.625   22.124      ?      ? 
1 1 1  -13   14   19 o   77.544   20.880  111.783   58.499   0.0000   0.0000  111.783   58.499  ?   ?    77.544   20.880      ?      ? 
1 1 1  -13   14   21 f  336.157   24.054  2047.51  285.791   0.0000   0.0000  2047.51  285.791  ?   ?   336.157   24.054      ?      ? 
1 1 1  -13   14   23 o  231.304   16.241  957.251  132.771   0.0000   0.0000  957.251  132.771  ?   ?   231.304   16.241      ?      ? 
1 1 1  -13   14   25 o  246.992   16.128  1092.21  140.791   0.0000   0.0000  1092.21  140.791  ?   ?   246.992   16.128      ?      ? 
1 1 1  -13   14   27 o  146.819   22.792  391.496  118.272  391.496  118.272   0.0000   0.0000  146.819   22.792  ?   ?       ?      ? 
1 1 1  -13   14   29 o  142.445   18.171  414.493   79.987  292.707  141.184  472.061   97.068  122.802   32.150  162.087   16.944 -39.28439 36.34194 
1 1 1  -13   14   31 o   67.777   15.743   76.721   39.440   88.676   78.790   72.723   45.559   72.505   25.162   63.049   18.928 9.456093 31.48645 
1 1 1  -13   14   33 o  312.379   14.658  1817.79  149.830  1671.94  261.403  1889.15  182.847  300.873   24.581  323.885   15.973 -23.01166 29.31503 
1 1 1  -13   14   35 o  327.657   17.379  2000.02  201.227  1993.02  286.945  2006.80  282.267  326.916   24.834  328.397   24.319 -1.480682 34.75794 
1 1 1  -13   14   37 o  355.257   17.609  2383.82  221.050  2460.46  315.126  2309.58  310.157  361.070   24.693  349.444   25.112 11.62619 35.21872 
1 1 1  -13   14   39 o  303.249   24.651  1772.00  264.218   0.0000   0.0000  1772.00  264.218  ?   ?   303.249   24.651      ?      ? 
1 1 1  -13   14   41 o  266.606   24.528  1413.39  231.130   0.0000   0.0000  1413.39  231.130  ?   ?   266.606   24.528      ?      ? 
1 1 1  -13   15    2 o  174.643   16.629  564.031   97.245  711.062  137.710  417.787  137.341  199.381   19.542  149.905   26.911 49.47551 33.25750 
1 1 1  -13   15    4 o  306.808   16.657  1692.82  180.568  1641.11  255.094  1744.75  255.630  302.035   23.896  311.581   23.212 -9.545563 33.31411 
1 1 1  -13   15    6 o  482.097   15.028  4041.21  244.229  4578.52  423.918  3774.27  298.801  504.509   23.773  459.685   18.391 44.82437 30.05661 
1 1 1  -13   15    8 o  693.115   19.707  8638.29  456.106  8903.11  790.593  8506.18  558.403  698.292   32.033  687.939   22.966 10.35303 39.41475 
1 1 1  -13   15   10 o  413.877   15.597  3205.96  209.540  2725.36  363.076  3445.98  256.583  388.177   26.464  439.577   16.515 -51.40054 31.19387 
1 1 1  -13   15   12 o  265.446   13.744  1240.91  122.014  1326.17  212.828  1199.17  148.916  271.602   22.170  259.291   16.249 12.31033 27.48762 
1 1 1  -13   15   14 o  399.685   16.646  2893.54  233.108  3348.31  331.440  2448.39  327.917  431.493   21.733  367.876   25.220 63.61734 33.29182 
1 1 1  -13   15   16 o  159.726   14.715  461.094   77.365  451.836  136.210  465.503   93.999  158.028   24.387  161.424   16.475 -3.395996 29.43057 
1 1 1  -13   15   18 o  601.449   18.928  6642.43  376.712  6430.56  653.422  6747.90  461.045  590.917   31.286  611.981   21.315 -21.06360 37.85669 
1 1 1  -13   15   20 o  406.931   17.195  3011.38  246.236  3348.09  349.951  2681.21  346.536  430.060   23.023  383.801   25.546 46.25974 34.38960 
1 1 1  -13   15   22 o  348.283   19.323  2246.40  233.749  1793.30  331.906  2692.28  329.251  311.720   30.125  384.847   24.206 -73.12726 38.64522 
1 1 1  -13   15   24 o  367.403   24.745  2460.89  321.329   0.0000   0.0000  2460.89  321.329  ?   ?   367.403   24.745      ?      ? 
1 1 1  -13   15   26 o  322.146   23.899  1891.07  272.109   0.0000   0.0000  1891.07  272.109  ?   ?   322.146   23.899      ?      ? 
1 1 1  -13   15   30 o  362.649   17.166  2370.25  220.024   0.0000   0.0000  2370.25  220.024  ?   ?   362.649   17.166      ?      ? 
1 1 1  -13   15   32 o  102.957   19.312  198.452   67.693   0.0000   0.0000  198.452   67.693  ?   ?   102.957   19.312      ?      ? 
1 1 1  -13   15   34 o  128.178   17.175  319.444   75.047  480.342  108.326  170.944  104.068  162.225   18.893   94.131   28.687 68.09342 34.34904 
1 1 1  -13   15   36 o  200.464   16.366  754.849  115.391  669.335  162.296  842.266  164.092  188.327   24.382  212.600   21.838 -24.27351 32.73190 
1 1 1  -13   15   38 o  242.045   23.736  1123.90  203.059   0.0000   0.0000  1123.90  203.059  ?   ?   242.045   23.736      ?      ? 
1 1 1  -13   15   40 o  128.553   12.962  294.473   56.297  377.626   98.783  254.474   68.512  140.447   19.900  116.659   16.616 23.78790 25.92487 
1 1 1  -13   16    1 o  420.348   13.747  3060.71  195.195  3524.43  338.223  2829.13  239.016  442.728   21.615  397.968   16.993 44.75992 27.49428 
1 1 1  -13   16    3 o  267.336   13.855  1223.56  125.366  1480.02  217.837  1096.55  153.297  286.969   21.477  247.704   17.510 39.26448 27.71035 
1 1 1  -13   16    5 o  477.936   15.325  3969.35  247.303  4567.61  428.790  3671.16  302.724  503.054   24.116  452.819   18.915 50.23465 30.64907 
1 1 1  -13   16    7 o  146.589   12.231  366.643   60.558  442.724  105.728  329.496   73.877  157.226   19.026  135.951   15.375 21.27454 24.46146 
1 1 1  -13   16    9 o  252.095   16.217  1146.12  144.407  1188.82  203.831  1103.10  204.615  256.914   22.447  247.275   23.412 9.639267 32.43444 
1 1 1  -13   16   11 o   76.644   11.136  100.081   30.520  184.273   48.005   42.961   39.540  101.757   13.347   51.532   17.828 50.22504 22.27101 
1 1 1  -13   16   13 o  377.828   24.845  2587.20  331.787   0.0000   0.0000  2587.20  331.787  ?   ?   377.828   24.845      ?      ? 
1 1 1  -13   16   15 o  370.151   15.880  2511.23  193.884  2367.05  336.202  2583.07  237.323  360.561   26.382  379.742   17.682 -19.18073 31.75916 
1 1 1  -13   16   17 o  469.730   17.067  4182.11  259.466  3516.52  449.459  4514.79  317.762  437.694   29.054  501.767   17.918 -64.07367 34.13429 
1 1 1  -13   16   19 o  453.219   16.651  3823.34  247.236  3452.35  428.432  4008.56  302.729  433.901   27.936  472.537   18.126 -38.63623 33.30148 
1 1 1  -13   16   21 o  280.290   17.970  1448.06  175.316  1173.42  248.912  1718.43  246.968  252.748   27.864  307.832   22.699 -55.08453 35.93921 
1 1 1  -13   16   23 o   83.051   13.631  147.684   41.585   43.696   72.823  198.000   50.656   60.769   23.624  105.332   13.607 -44.56246 27.26243 
1 1 1  -13   16   25 o  263.507   16.073  1262.41  149.623  1317.84  213.497  1208.91  209.752  269.287   22.431  257.726   23.026 11.56073 32.14629 
1 1 1  -13   16   27 o  174.649   15.182  553.590   93.551  601.290  135.364  509.976  129.437  181.932   21.051  167.367   21.881 14.56580 30.36330 
1 1 1  -13   16   35 o  359.286   16.736  2357.19  212.527   0.0000   0.0000  2357.19  212.527  ?   ?   359.286   16.736      ?      ? 
1 1 1  -13   16   37 o  342.612   16.252  2370.44  177.442  1895.20  306.588  2609.81  217.588  308.801   28.090  376.422   16.355 -67.62054 32.50443 
1 1 1  -13   16   39 o  103.592   17.326  223.343   63.170  174.637   90.464  269.692   88.248   91.177   26.495  116.007   22.333 -24.82989 34.65170 
1 1 1  -13   17    2 o   74.907   13.167  108.057   33.994   86.308   57.727  119.604   42.061   69.252   21.411   80.563   15.332 -11.31137 26.33428 
1 1 1  -13   17    4 o  263.989   13.086  1218.36  116.422  1351.57  201.384  1151.50  142.681  274.065   20.790  253.913   15.899 20.15218 26.17218 
1 1 1  -13   17    6 o  195.052   15.583  686.170  107.419  684.931  152.921  687.378  150.926  194.848   22.205  195.256   21.870 -0.4075623 31.16626 
1 1 1  -13   17    8 o  325.389   15.748  1928.72  169.657  1857.76  293.910  1964.18  207.768  319.623   26.017  331.155   17.751 -11.53226 31.49577 
1 1 1  -13   17   10 o  104.095   10.805  187.956   38.097  212.476   65.406  175.364   46.869  108.963   16.983   99.227   13.364 9.735977 21.61056 
1 1 1  -13   17   12 o  404.331   25.445  2973.62  363.630   0.0000   0.0000  2973.62  363.630  ?   ?   404.331   25.445      ?      ? 
1 1 1  -13   17   14 o  237.406   11.362  943.292   91.528  1252.41  159.160  790.551  111.879  264.421   17.030  210.391   15.045 54.03009 22.72406 
1 1 1  -13   17   16 o  193.515   11.816  637.656   77.346  785.818  134.893  565.083   94.407  209.184   18.245  177.845   15.019 31.33904 23.63152 
1 1 1  -13   17   18 o  152.327   17.508  466.321   82.108  336.444  141.710  531.958  100.742  132.346   30.862  172.308   16.542 -39.96185 35.01610 
1 1 1  -13   17   20 f  245.610   15.979  1167.22  125.052  906.997  216.756  1297.05  153.100  222.134   27.608  269.086   16.098 -46.95183 31.95835 
1 1 1  -13   17   22 o  370.482   15.874  2543.82  193.303  2345.46  334.985  2642.85  236.685  357.455   26.514  383.509   17.461 -26.05405 31.74763 
1 1 1  -13   17   24 o  427.907   17.838  3492.95  247.631  2990.95  428.655  3744.40  303.374  400.393   30.290  455.420   18.847 -55.02698 35.67501 
1 1 1  -13   17   26 o  273.714   16.513  1372.15  159.429  1265.38  223.896  1481.97  227.072  262.589   24.124  284.839   22.555 -22.24988 33.02573 
1 1 1  -13   17   28 o   95.961   16.556  172.109   56.985  114.107   77.233  241.410   84.422   78.771   24.833  113.149   21.901 -34.37805 33.11108 
1 1 1  -13   17   30 o  183.939   14.790  644.459   88.833  549.063  151.786  694.156  109.555  171.759   25.003  196.119   15.805 -24.35988 29.57942 
1 1 1  -13   17   32 o  119.847   17.033  278.083   69.545  253.120  100.412  301.096   96.412  113.977   25.556  125.717   22.525 -11.73969 34.06641 
1 1 1  -13   17   34 o   99.562   22.518  192.859   77.386   0.0000   0.0000  192.859   77.386  ?   ?    99.562   22.518      ?      ? 
1 1 1  -13   17   36 o  187.962   22.666  678.016  150.580   0.0000   0.0000  678.016  150.580  ?   ?   187.962   22.666      ?      ? 
1 1 1  -13   17   38 o  155.890   22.619  478.843  124.626   0.0000   0.0000  478.843  124.626  ?   ?   155.890   22.619      ?      ? 
1 1 1  -13   18    1 o  280.632   15.793  1431.14  155.356  1642.66  220.191  1221.46  219.227  301.850   20.639  259.414   23.910 42.43625 31.58571 
1 1 1  -13   18    3 o  344.703   14.417  2057.70  168.223  2429.49  291.173  1871.42  206.100  366.453   22.481  322.953   18.056 43.49921 28.83404 
1 1 1  -13   18    5 o  106.184   13.787  198.343   48.011  248.758   82.484  172.512   59.043  115.781   20.927   96.587   17.956 19.19446 27.57447 
1 1 1  -13   18    7 o  229.532   13.434  935.209  103.477  984.321  178.568  910.380  126.968  233.441   21.642  225.624   15.922 7.817276 26.86815 
1 1 1  -13   18    9 o  252.149   16.644  1156.37  147.825  1253.11  207.877  1057.40  210.254  263.167   22.349  241.131   24.670 22.03619 33.28792 
1 1 1  -13   18   11 o  308.419   16.457  1703.19  179.394   0.0000   0.0000  1703.19  179.394  ?   ?   308.419   16.457      ?      ? 
1 1 1  -13   18   13 o  339.081   15.705  2154.12  173.691  1879.53  300.380  2292.05  212.891  320.548   26.513  357.614   16.843 -37.06650 31.41064 
1 1 1  -13   18   15 o  247.685   16.900  1215.39  131.327  866.020  226.374  1392.62  161.232  216.561   29.575  278.809   16.361 -62.24794 33.79920 
1 1 1  -13   18   17 o  308.167   15.436  1743.40  157.258  1652.55  271.866  1789.09  192.783  300.637   25.585  315.697   17.277 -15.05960 30.87260 
1 1 1  -13   18   19 o  177.373   14.618  581.076   85.678  532.919  146.870  605.919  105.488  170.905   24.314  183.842   16.234 -12.93719 29.23587 
1 1 1  -13   18   21 o  299.855   16.912  1642.96  179.204  1645.73  251.250  1640.10  255.674  300.210   23.679  299.501   24.153 0.7088318 33.82375 
1 1 1  -13   18   23 o  372.477   25.125  2550.95  330.776  2550.95  330.776   0.0000   0.0000  372.477   25.125  ?   ?       ?      ? 
1 1 1  -13   18   25 o  336.938   17.273  2089.47  205.633  2018.31  288.858  2162.57  292.799  330.977   24.693  342.900   24.159 -11.92368 34.54550 
1 1 1  -13   18   27 o  408.946   17.665  3267.05  231.889  2638.42  400.179  3584.83  284.528  373.173   30.341  444.720   18.102 -71.54742 35.33018 
1 1 1  -13   18   29 o  177.814   16.383  573.288  101.704  506.317  131.852  671.670  159.808  165.492   22.542  190.136   23.780 -24.64462 32.76620 
1 1 1  -13   18   31 o   78.194   14.324  114.639   40.317  148.158   60.121   87.248   54.348   88.095   19.792   68.293   20.712 19.80243 28.64805 
1 1 1  -13   18   33 o  145.267   15.731  425.158   71.808  334.991  120.792  474.438   89.300  129.353   27.279  161.180   15.675 -31.82784 31.46238 
1 1 1  -13   18   35 o   32.498   9.3320   8.9036   16.468   4.0698   27.047   11.751   20.760   32.829   13.784   32.168   12.583 0.6611366 18.66403 
1 1 1  -13   18   37 o  153.300   18.158  491.757   93.034  356.593  131.916  625.516  131.228  127.357   29.830  179.242   20.714 -51.88578 36.31639 
1 1 1  -13   19    2 o  162.485   11.274  451.961   62.429  550.926  106.710  400.463   76.977  175.242   17.228  149.729   14.546 25.51344 22.54762 
1 1 1  -13   19    4 o  167.451   14.106  497.525   79.483  531.854  136.823  480.039   97.649  171.270   22.603  163.632   16.884 7.638245 28.21267 
1 1 1  -13   19    6 o  143.940   12.121  352.726   59.443  444.238  101.966  305.614   73.161  157.206   18.351  130.673   15.841 26.53391 24.24248 
1 1 1  -13   19    8 o   62.387   13.956   67.735   33.483   75.519   55.722   63.336   41.889   65.453   21.142   59.321   18.222 6.132069 27.91112 
1 1 1  -13   19   10 o  258.973   17.676  1204.46  161.794   0.0000   0.0000  1204.46  161.794  ?   ?   258.973   17.676      ?      ? 
1 1 1  -13   19   12 o  474.731   15.342  4047.02  243.619  4190.43  421.294  3974.97  298.607  479.185   24.875  470.276   17.965 8.909332 30.68389 
1 1 1  -13   19   14 o  181.698   13.796  593.738   83.934  600.758  144.072  590.131  103.270  181.924   22.406  181.471   16.101 0.4531403 27.59113 
1 1 1  -13   19   16 o  252.898   15.288  1164.85  134.076  894.481  185.933  1457.74  193.518  221.518   23.748  284.278   19.260 -62.76015 30.57651 
1 1 1  -13   19   18 o  290.969   17.877  1564.69  182.147  1771.89  254.923  1348.56  260.353  311.666   23.142  270.271   27.255 41.39465 35.75428 
1 1 1  -13   19   20 o  246.118   15.470  1103.09  133.023  896.889  183.860  1329.59  192.697  221.419   23.494  270.817   20.132 -49.39738 30.93924 
1 1 1  -13   19   22 o  347.486   14.608  2198.28  169.217  2189.32  291.599  2202.83  207.781  345.284   23.894  349.688   16.811 -4.403961 29.21562 
1 1 1  -13   19   24 o  310.661   13.636  1736.15  142.131  1807.85  244.507  1699.55  174.674  314.177   22.019  307.145   16.090 7.032471 27.27144 
1 1 1  -13   19   26 o  189.858   14.622  718.820   87.494  505.248  148.587  832.177  108.251  164.567   25.546  215.150   14.235 -50.58282 29.24432 
1 1 1  -13   19   28 o  300.422   15.814  1783.01  152.745  1354.44  257.126  2016.73  189.879  267.263   27.220  333.581   16.105 -66.31769 31.62737 
1 1 1  -13   19   30 o  171.664   16.524  620.886   85.407  385.005  140.035  760.601  107.773  138.537   29.503  204.791   14.889 -66.25476 33.04729 
1 1 1  -13   19   32 o  199.540   15.257  828.382   94.826  533.974  157.047  997.304  118.959  165.115   26.911  233.965   14.386 -68.84964 30.51438 
1 1 1  -13   19   34 o   48.173   11.557   40.845   23.281   39.578   36.139   41.743   30.438   48.335   17.024   48.011   15.635 0.3239975 23.11462 
1 1 1  -13   19   36 o   85.774   13.859  150.946   41.486  117.357   66.182  172.687   53.245   75.644   22.837   95.905   15.708 -20.26070 27.71786 
1 1 1  -13   20    1 o   51.503   16.069   47.222   32.432   0.0000   0.0000   47.222   32.432  ?   ?    51.503   16.069      ?      ? 
1 1 1  -13   20    3 o  260.449   12.139  1200.06  107.297  1282.05  181.292  1155.85  133.114  266.670   19.235  254.229   14.814 12.44107 24.27821 
1 1 1  -13   20    5 o  131.328   14.336  307.499   65.036  330.788  105.162  293.076   82.760  135.042   22.033  127.615   18.348 7.426247 28.67254 
1 1 1  -13   20    7 o  157.194   13.148  426.289   70.289  513.592  120.622  381.402   86.491  168.598   20.242  145.790   16.785 22.80862 26.29592 
1 1 1  -13   20    9 o  333.994   14.243  1938.47  161.040  2284.11  278.601  1765.04  197.350  354.697   22.223  313.291   17.823 41.40628 28.48697 
1 1 1  -13   20   11 o  463.420   27.003  3951.29  442.286  3951.29  442.286   0.0000   0.0000  463.420   27.003  ?   ?       ?      ? 
1 1 1  -13   20   13 o  357.323   24.686  2337.99  311.771  2337.99  311.771   0.0000   0.0000  357.323   24.686  ?   ?       ?      ? 
1 1 1  -13   20   15 o  140.550   16.906  366.351   81.732  365.442  110.236  367.461  121.799  141.685   22.013  139.414   25.664 2.270950 33.81127 
1 1 1  -13   20   17 o  150.930   15.044  435.471   72.504  371.052  122.189  470.478   90.075  139.997   25.639  161.864   15.745 -21.86774 30.08747 
1 1 1  -13   20   19 o  343.498   15.104  2214.42  170.182  1964.93  292.463  2342.14  209.258  326.284   25.360  360.711   16.414 -34.42743 30.20844 
1 1 1  -13   20   21 o  152.197   15.761  453.099   75.632  362.111  127.378  502.645   93.995  137.314   27.208  167.079   15.917 -29.76482 31.52143 
1 1 1  -13   20   23 o  112.828   12.282  228.224   47.806  241.563   77.332  219.974   60.819  115.198   18.993  110.458   15.578 4.740051 24.56457 
1 1 1  -13   20   25 o   50.069   12.123   41.968   25.522   42.135   40.107   41.854   33.085   50.958   17.936   49.181   16.315 1.777245 24.24612 
1 1 1  -13   20   27 o  216.306   12.122  888.771   87.027  733.041  142.682  981.026  109.819  199.250   20.261  233.363   13.315 -34.11320 24.24391 
1 1 1  -13   20   29 o  122.221   15.968  306.637   63.830  209.109  101.034  371.418   82.344  101.973   27.433  142.470   16.353 -40.49702 31.93670 
1 1 1  -13   20   31 o  215.364   14.060  912.841   99.653  742.571  164.220  1012.09  125.376  195.896   23.718  234.832   15.106 -38.93636 28.11990 
1 1 1  -13   20   33 o  169.483   14.103  571.004   79.712  472.956  128.378  632.524  101.690  154.590   23.496  184.376   15.605 -29.78619 28.20546 
1 1 1  -13   21    2 f  168.093   21.805  514.101  129.548   0.0000   0.0000  514.101  129.548  ?   ?   168.093   21.805      ?      ? 
1 1 1  -13   21    8 o  187.130   18.167  657.659  117.235  734.180  156.414  559.564  177.096  200.792   22.040  173.467   28.885 27.32521 36.33306 
1 1 1  -13   21   12 o  148.336   12.196  386.398   62.352  441.224  102.484  354.176   78.566  156.255   18.557  140.418   15.830 15.83656 24.39165 
1 1 1  -13   21   14 o  178.848   12.129  569.156   73.420  602.471  124.516  551.399   90.905  182.336   19.321  175.360   14.667 6.975876 24.25743 
1 1 1  -13   21   16 o  234.771   14.658  1029.09  113.420  928.704  194.214  1081.05  139.721  224.482   24.478  245.061   16.131 -20.57816 29.31542 
1 1 1  -13   21   18 o   77.716   14.169  108.320   39.202  151.864   62.103   79.476   50.545   89.649   20.096   65.783   19.980 23.86597 28.33815 
1 1 1  -13   21   20 o   68.166   13.038   90.190   33.357   54.617   52.026  115.022   43.468   57.893   20.423   78.439   16.215 -20.54682 26.07677 
1 1 1  -13   21   22 o  234.115   13.896  1038.06  107.085  896.992  181.174  1113.81  132.757  219.806   23.320  248.424   15.120 -28.61813 27.79299 
1 1 1  -13   21   24 o  156.660   12.765  464.859   66.735  391.202  108.930  509.115   84.436  145.374   21.200  167.947   14.224 -22.57324 25.53021 
1 1 1  -13   21   26 o  111.803   15.611  247.309   57.819  205.588   94.966  271.884   72.886  101.717   26.241  121.889   16.918 -20.17111 31.22250 
1 1 1  -13   21   28 o  153.750   14.996  486.286   71.603  334.540  115.909  579.934   91.056  129.159   26.285  178.341   14.446 -49.18196 29.99262 
1 1 1  -13   21   30 o  164.041   15.077  464.777   78.847  283.213   96.648  826.081  136.337  118.630   23.877  209.451   18.417 -90.82162 30.15435 
1 1 1  -13   21   32 o  145.542   16.612  427.941   83.439  399.951  118.134  455.806  117.869  139.075   24.950  152.008   21.939 -12.93309 33.22329 
1 1 1  -13   22    1 o  180.664   17.122  599.456  107.696  593.330  140.516  608.179  167.667  180.156   22.068  181.171   26.184 -1.014160 34.24313 
1 1 1  -13   22    3 o  160.805   18.424  488.642   99.443  503.401  128.489  466.598  157.033  166.015   21.898  155.596   29.637 10.41870 36.84893 
1 1 1  -13   22    5 o   91.240   22.249  158.022   71.105  158.022   71.105   0.0000   0.0000   91.240   22.249  ?   ?       ?      ? 
1 1 1  -13   22    7 o  349.228   24.572  2246.89  303.300   0.0000   0.0000  2246.89  303.300  ?   ?   349.228   24.572      ?      ? 
1 1 1  -13   22    9 o  268.271   23.119  1320.51  219.215   0.0000   0.0000  1320.51  219.215  ?   ?   268.271   23.119      ?      ? 
1 1 1  -13   22   11 o   93.427   20.792  165.036   66.888   0.0000   0.0000  165.036   66.888  ?   ?    93.427   20.792      ?      ? 
1 1 1  -13   22   13 o  196.926   17.754  701.897  123.570   0.0000   0.0000  701.897  123.570  ?   ?   196.926   17.754      ?      ? 
1 1 1  -13   22   15 o  203.413   13.938  821.327   90.061  567.175  149.989  964.625  112.624  174.981   24.252  231.845   13.744 -56.86432 27.87581 
1 1 1  -13   22   17 o  129.650   14.690  335.366   60.544  238.226   97.577  396.175   77.202  110.977   25.423  148.322   14.727 -37.34547 29.37995 
1 1 1  -13   22   19 o  248.629   13.898  1124.38  116.838  1162.10  197.222  1103.98  145.026  250.560   22.270  246.698   16.633 3.862396 27.79573 
1 1 1  -13   22   21 o  174.299   16.609  607.924   90.550  473.146  152.227  681.727  112.646  154.969   28.854  193.630   16.460 -38.66095 33.21879 
1 1 1  -13   22   23 o  161.046   14.022  506.398   73.812  396.973  122.004  569.573   92.702  144.927   23.818  177.165   14.804 -32.23792 28.04408 
1 1 1  -13   22   25 o  257.666   15.827  1320.99  131.656  1072.82  224.265  1451.49  162.629  234.177   27.096  281.156   16.366 -46.97856 31.65434 
1 1 1  -13   22   27 f  125.440   14.572  324.860   58.529  215.271   90.926  402.395   76.481  102.799   25.216  148.080   14.613 -45.28050 29.14439 
1 1 1  -13   22   29 o   31.492   8.6337   8.4572   14.814  -7.5386   21.439   23.074   20.494   25.913   11.551   37.071   12.835 -11.15846 17.26743 
1 1 1  -13   23    2 o  114.509   17.262  218.250   63.151  166.666   74.235  353.343  120.134   93.341   22.717  135.677   25.998 -42.33648 34.52469 
1 1 1  -13   23    4 o  113.536   13.713  236.310   53.012  249.658   83.062  227.137   68.860  115.098   21.199  111.975   17.399 3.122284 27.42510 
1 1 1  -13   23    6 o  331.284   13.998  2000.66  155.909  2008.77  264.565  1996.34  192.977  330.171   22.671  332.397   16.426 -2.226013 27.99626 
1 1 1  -13   23    8 o   43.353   15.649   28.563   30.722   0.0000   0.0000   28.563   30.722  ?   ?    43.353   15.649      ?      ? 
1 1 1  -13   23   10 o  201.423   15.601  748.882  110.563  829.834  156.678  668.584  156.043  212.731   20.838  190.115   23.223 22.61606 31.20113 
1 1 1  -13   23   12 o  232.149   16.296  999.852  133.303  914.707  188.708  1084.66  188.330  221.781   24.074  242.516   21.971 -20.73468 32.59291 
1 1 1  -13   23   14 o  169.079   21.984  528.497  131.374   0.0000   0.0000  528.497  131.374  ?   ?   169.079   21.984      ?      ? 
1 1 1  -13   23   16 o  156.843   21.905  456.130  121.429   0.0000   0.0000  456.130  121.429  ?   ?   156.843   21.905      ?      ? 
1 1 1  -13   23   18 o   78.272   20.303  117.428   56.645   0.0000   0.0000  117.428   56.645  ?   ?    78.272   20.303      ?      ? 
1 1 1  -13   23   20 o   67.622   20.034   86.562   51.287   0.0000   0.0000   86.562   51.287  ?   ?    67.622   20.034      ?      ? 
1 1 1  -13   23   22 o  224.806   14.023  974.355  104.848  841.515  173.186  1051.21  131.732  209.952   23.338  239.660   15.552 -29.70782 28.04519 
1 1 1  -13   23   24 o   56.009   12.267   58.910   26.979   49.532   40.081   66.678   36.482   52.895   17.960   59.124   16.714 -6.229424 24.53456 
1 1 1  -13   23   26 o  240.592   14.146  1151.27  111.998  967.773  186.168  1255.35  140.209  221.024   23.831  260.160   15.248 -39.13519 28.29178 
1 1 1  -13   23   28 o   63.263   13.503   78.881   32.634   77.274   48.876   80.173   43.838   62.788   19.749   63.738   18.421 -0.9507141 27.00681 
1 1 1  -13   24    1 o  110.755   14.201  221.844   53.727  275.854   85.488  186.585   69.072  122.507   19.743   99.003   20.417 23.50323 28.40205 
1 1 1  -13   24    3 o  258.072   13.699  1206.35  120.358  1279.24  201.275  1165.78  150.163  262.883   21.662  253.262   16.775 9.621414 27.39849 
1 1 1  -13   24    5 o  212.147   12.899  824.155   93.145  813.658  153.136  830.319  117.349  210.115   20.621  214.179   15.502 -4.063934 25.79745 
1 1 1  -13   24    7 o  168.753   13.627  512.793   81.281   0.0000   0.0000  512.793   81.281  ?   ?   168.753   13.627      ?      ? 
1 1 1  -13   24    9 o  222.863   13.967  923.320  104.348  880.153  175.454  946.944  129.798  217.314   22.843  228.413   16.078 -11.09894 27.93399 
1 1 1  -13   24   11 o  183.613   13.297  615.454   83.191  631.480  137.746  606.252  104.376  184.596   21.112  182.630   16.170 1.965408 26.59326 
1 1 1  -13   24   13 o  171.951   12.701  538.100   74.687  557.744  122.908  526.600   94.042  173.670   20.023  170.232   15.630 3.437607 25.40141 
1 1 1  -13   24   15 o   36.925   9.7668   17.686   17.321   26.543   25.718   10.332   23.434   40.687   14.358   33.162   13.244 7.525318 19.53364 
1 1 1  -13   24   17 o  109.484   15.245  233.017   57.441  309.121   81.744  158.786   80.732  129.420   17.871   89.548   24.704 39.87148 30.48993 
1 1 1  -13   24   19 o  184.338   15.907  648.503  103.618  663.505  146.627  633.536  146.449  186.629   22.229  182.047   22.760 4.581894 31.81432 
1 1 1  -13   24   21 o  142.770   22.227  392.922  112.163   0.0000   0.0000  392.922  112.163  ?   ?   142.770   22.227      ?      ? 
1 1 1  -13   24   23 o  143.810   22.415  404.936  113.932   0.0000   0.0000  404.936  113.932  ?   ?   143.810   22.415      ?      ? 
1 1 1  -13   24   25 o  133.601   17.409  339.453   82.206   0.0000   0.0000  339.453   82.206  ?   ?   133.601   17.409      ?      ? 
1 1 1  -13   25    2 o   63.429   13.646   73.993   33.249   88.586   50.341   62.701   44.282   68.217   19.747   58.641   18.838 9.576481 27.29122 
1 1 1  -13   25    4 o   60.610   13.268   66.999   31.253   79.400   47.165   57.291   41.729   64.863   19.211   56.357   18.305 8.505764 26.53508 
1 1 1  -13   25    6 o   54.490   11.869   54.776   25.323   45.506   37.322   62.685   34.471   51.245   17.331   57.735   16.221 -6.490887 23.73838 
1 1 1  -13   25    8 o  289.180   16.927  1591.53  172.954  1636.28  244.692  1546.85  244.497  293.546   23.584  284.814   24.288 8.731720 33.85455 
1 1 1  -13   25   10 o  165.727   13.864  497.663   79.378  577.065  129.713  450.127  100.364  175.424   20.920  156.030   18.199 19.39453 27.72861 
1 1 1  -13   25   12 o   82.846   14.303  128.291   41.725  176.844   64.811   93.922   54.528   95.743   19.806   69.948   20.640 25.79480 28.60532 
1 1 1  -13   25   14 o  187.970   13.726  671.743   87.161  625.636  142.882  699.069  109.998  181.015   22.333  194.924   15.966 -13.90883 27.45296 
1 1 1  -13   25   16 o  103.079   16.662  204.024   59.162  281.405   93.775  152.858   76.254  119.059   23.118   87.099   24.001 31.95998 33.32390 
1 1 1  -13   25   18 o  111.254   15.082  242.411   56.740  240.646   90.156  243.569   73.013  108.818   24.078  113.689   18.170 -4.870758 30.16487 
1 1 1  -13   25   20 o   84.563   15.888  145.991   48.512  129.620   68.886  162.098   68.329   79.679   23.110   89.447   21.810 -9.768486 31.77637 
1 1 1  -13   25   22 o  135.911   12.776  358.483   59.469  331.252   93.973  376.672   76.804  130.067   20.442  141.754   15.330 -11.68665 25.55102 
1 1 1  -13   26    1 o  127.140   12.848  304.591   55.995  295.756   89.893  310.193   71.577  124.676   20.400  129.604   15.626 -4.927666 25.69652 
1 1 1  -13   26    3 o   48.221   13.376   22.277   37.799   58.565   41.914 -135.8149   87.484   56.397   18.346   40.045   19.470 16.35184 26.75185 
1 1 1  -13   26    5 o   51.918   11.864   46.128   25.876   70.537   37.938   24.894   35.384   60.696   17.005   43.141   16.549 17.55464 23.72825 
1 1 1  -13   26    7 o  117.872   16.369  276.743   65.729  300.686   93.075  252.924   92.834  123.637   22.111  112.107   24.143 11.52995 32.73784 
1 1 1  -13   26    9 o   61.931   13.704   72.869   33.183   72.047   50.208   73.507   44.217   61.901   20.076   61.961   18.658 -0.6016541E-01 27.40768 
1 1 1  -13   26   11 o  121.217   13.998  284.603   56.617  275.812   90.865  290.181   72.386  117.579   22.687  124.855   16.403 -7.276283 27.99572 
1 1 1  -13   26   13 o   85.431   12.744  141.047   37.113  154.971   55.811  130.009   49.692   89.146   18.326   81.716   17.716 7.429832 25.48890 
1 1 1  -13   26   15 o   75.807   14.934  115.282   42.401  144.809   60.102   86.024   59.827   85.075   20.275   66.539   21.932 18.53664 29.86818 
1 1 1  -13   26   17 o   74.415   13.070  111.595   34.406   93.365   51.458  126.334   46.270   68.366   20.016   80.464   16.812 -12.09779 26.13909 
1 1 1  -13   27    2 o   28.060   8.1227   5.5621   12.855   7.8985   18.044   3.1543   18.318   28.918   11.596   27.201   11.378 1.716291 16.24548 
1 1 1  -13   27    4 o   73.495   16.958  110.753   59.153  167.533   71.477 -12.6655  105.379   90.358   22.474   56.632   25.401 33.72526 33.91607 
1 1 1  -13   27    6 o   76.355   21.670  118.483   61.199   0.0000   0.0000  118.483   61.199  ?   ?    76.355   21.670      ?      ? 
1 1 1  -13   27    8 f   66.561   13.382   87.904   32.897   86.013   49.120   89.441   44.299   65.881   19.626   67.241   18.197 -1.359909 26.76375 
1 1 1  -13   27   10 o  118.838   13.558  267.979   55.969  301.779   89.461  246.242   71.744  124.212   20.377  113.464   17.890 10.74805 27.11603 
1 1 1  -12    0    2 o  861.892   18.444 13189.29  792.937 13189.29  792.937 13189.29  792.937  861.892   26.084  861.892   26.084 -0.000000 0.000000 
1 1 1  -12    0    4 f  182.661   11.007  602.777   98.820  602.777   98.820  602.777   98.820  182.661   15.567  182.661   15.567 -0.000000 0.000000 
1 1 1  -12    0    6 o  1934.32   35.961 66745.26  3471.48 66745.26  3471.48 66745.26  3471.48  1934.32   50.856  1934.32   50.856 -0.000000 0.000000 
1 1 1  -12    0    8 o  506.086   13.632  4550.63  343.695  4550.63  343.695  4550.63  343.695  506.086   19.278  506.086   19.278 -0.000000 0.000000 
1 1 1  -12    0   10 o  858.169   18.392 13075.13  787.303 13075.13  787.303 13075.13  787.303  858.169   26.011  858.169   26.011 -0.000000 0.000000 
1 1 1  -12    0   12 o  2488.50   45.728 110943.80  5679.21 110943.80  5679.21 110943.80  5679.21  2488.50   64.668  2488.50   64.668 -0.000000 0.000000 
1 1 1  -12    0   14 o  605.513   14.913  6511.33  450.132  6511.33  450.132  6511.33  450.132  605.513   21.091  605.513   21.091 -0.000000 0.000000 
1 1 1  -12    0   16 o  394.761   17.861  2793.08  349.126  2793.08  349.126  2793.08  349.126  394.761   25.259  394.761   25.259 -0.000000 0.000000 
1 1 1  -12    0   18 o  1692.66   31.841 51097.18  2689.63 51097.18  2689.63 51097.18  2689.63  1692.66   45.030  1692.66   45.030 -0.000000 0.000000 
1 1 1  -12    0   20 o  210.381   16.253  811.358  165.725  811.358  165.725  811.358  165.725  210.381   22.985  210.381   22.985 -0.000000 0.000000 
1 1 1  -12    0   22 o  1158.80   32.863 24092.09  1896.54 24092.09  1896.54 24092.09  1896.54  1158.80   46.475  1158.80   46.475 -0.000000 0.000000 
1 1 1  -12    0   24 o  539.623   13.987  5179.12  376.105  5179.12  376.105  5179.12  376.105  539.623   19.780  539.623   19.780 -0.000000 0.000000 
1 1 1  -12    0   26 o  390.399   17.860  2741.73  345.169  2741.73  345.169  2741.73  345.169  390.399   25.258  390.399   25.258 -0.000000 0.000000 
1 1 1  -12    0   28 o  1099.20   31.949 22003.43  1748.63 22003.43  1748.63 22003.43  1748.63  1099.20   45.183  1099.20   45.183 -0.000000 0.000000 
1 1 1  -12    0   30 o  360.329   17.536  2349.65  312.409  2349.65  312.409  2349.65  312.409  360.329   24.800  360.329   24.800 -0.000000 0.000000 
1 1 1  -12    0   32 o  196.880   16.433  719.985  155.797  719.985  155.797  719.985  155.797  196.880   23.240  196.880   23.240 -0.000000 0.000000 
1 1 1  -12    0   34 o  250.577   16.545  1151.80  203.074  1151.80  203.074  1151.80  203.074  250.577   23.398  250.577   23.398 -0.000000 0.000000 
1 1 1  -12    0   36 o  870.825   27.182 13981.15  1177.94 13981.15  1177.94 13981.15  1177.94  870.825   38.442  870.825   38.442 -0.000000 0.000000 
1 1 1  -12    0   38 o  244.097   16.585  1097.41  198.065  1097.41  198.065  1097.41  198.065  244.097   23.455  244.097   23.455 -0.000000 0.000000 
1 1 1  -12    0   42 o  344.958   17.602  2186.66  299.878  2186.66  299.878  2186.66  299.878  344.958   24.894  344.958   24.894 -0.000000 0.000000 
1 1 1  -12    0   44 o   48.359   17.241   62.595   51.535   62.595   51.535   62.595   51.535   48.359   24.382   48.359   24.382 -0.000000 0.000000 
1 1 1  -12    0   46 o  353.294   17.816  2337.89  310.938  2337.89  310.938  2337.89  310.938  353.294   25.195  353.294   25.195 -0.000000 0.000000 
1 1 1  -12    1    1 o  967.216   19.985 16608.04  683.142 16869.19  966.130 16346.92  966.086  974.855   28.040  959.578   28.485 15.27740 39.97030 
1 1 1  -12    1    3 o  1077.35   21.660 20621.46  824.785 20598.04  1166.44 20644.88  1166.41  1076.73   30.650  1077.96   30.614 -1.230103 43.32064 
1 1 1  -12    1    5 o  1668.41   31.415 49747.13  1852.43 50269.72  2619.75 49224.56  2619.71  1677.27   44.191  1659.55   44.663 17.72363 62.83004 
1 1 1  -12    1    7 o  536.237   13.949  5094.32  264.251  5271.27  373.739  4917.43  373.677  545.572   19.382  526.903   20.065 18.66870 27.89755 
1 1 1  -12    1    9 o  351.849   12.045  2191.64  149.754  2244.54  211.817  2138.78  211.752  356.101   16.829  347.597   17.236 8.504578 24.08939 
1 1 1  -12    1   11 o  1209.35   23.793 26012.16  1016.86 26501.36  1438.08 25523.00  1438.03  1220.79   33.329  1197.90   33.964 22.88879 47.58574 
1 1 1  -12    1   13 o  1008.55   20.612 18063.73  734.691 18301.34  1039.03 17826.13  1038.99  1015.22   28.957  1001.89   29.341 13.33093 41.22341 
1 1 1  -12    1   15 o  897.005   18.903 14280.89  599.302 14366.82  847.559 14194.97  847.522  899.715   26.653  894.295   26.813 5.420288 37.80647 
1 1 1  -12    1   17 o  520.521   13.815  4800.40  254.153  4783.51  359.444  4817.28  359.410  519.603   19.572  521.439   19.501 -1.835571 27.62923 
1 1 1  -12    1   19 o  283.890   11.403  1427.08  114.414  1434.70  161.852  1419.48  161.758  284.648   16.088  283.132   16.164 1.515930 22.80559 
1 1 1  -12    1   21 o  1103.28   31.197 21697.34  1216.51 21697.34  1216.51   0.0000   0.0000  1103.28   31.197  ?   ?       ?      ? 
1 1 1  -12    1   23 o  553.472   17.589  5471.04  323.564  5386.10  560.609  5513.46  396.219  549.603   28.860  557.341   20.114 -7.738281 35.17734 
1 1 1  -12    1   25 o  1175.17   28.737 24924.60  1125.41 25205.50  1949.47 24784.20  1378.27  1175.51   46.921  1174.83   33.193 0.6823730 57.47490 
1 1 1  -12    1   27 o  461.487   15.860  3758.96  245.093  3944.63  424.762  3666.28  300.088  469.185   25.614  453.790   18.710 15.39502 31.71993 
1 1 1  -12    1   29 o  180.288   15.450  582.829   98.367  556.487  139.234  609.080  138.991  176.159   22.362  184.417   21.324 -8.257797 30.89959 
1 1 1  -12    1   31 o  576.722   29.570  6064.68  602.749   0.0000   0.0000  6064.68  602.749  ?   ?   576.722   29.570      ?      ? 
1 1 1  -12    1   35 o  517.774   20.003  4923.50  365.967  4796.21  517.610  5050.74  517.501  510.818   28.669  524.730   27.903 -13.91260 40.00646 
1 1 1  -12    1   37 o  635.933   22.363  7529.04  502.582  7656.13  710.935  7402.08  710.581  641.576   31.352  630.290   31.897 11.28552 44.72544 
1 1 1  -12    1   39 o  412.763   18.312  3136.76  266.988  3261.64  377.729  3012.09  377.428  421.310   25.366  404.218   26.418 17.09201 36.62457 
1 1 1  -12    1   41 o  349.669   17.456  2255.96  215.717  2294.08  305.372  2217.99  304.768  352.732   24.494  346.606   24.878 6.126129 34.91244 
1 1 1  -12    1   43 o  272.978   16.632  1383.94  160.219  1470.56  226.844  1297.71  226.323  281.920   22.766  264.036   24.252 17.88330 33.26306 
1 1 1  -12    1   45 o  486.048   16.482  4445.70  265.744  4453.30  461.142  4441.92  325.166  481.057   27.122  491.039   18.736 -9.981720 32.96386 
1 1 1  -12    1   47 f  237.527   16.733  1046.85  140.479   0.0000   0.0000  1046.85  140.479  ?   ?   237.527   16.733      ?      ? 
1 1 1  -12    2    2 o  632.213   15.145  7084.23  338.224  7355.42  478.364  6813.13  478.278  644.348   21.005  620.079   21.823 24.26874 30.28928 
1 1 1  -12    2    4 o  1089.28   21.786 21088.26  838.339 21867.46  1185.64 20309.18  1185.54  1109.52   30.234  1069.05   31.376 40.47437 43.57257 
1 1 1  -12    2    6 o  2284.36   42.236 94099.55  3408.41 97433.27  4820.27 90765.96  4820.17  2325.65   58.642  2243.07   60.799 82.57715 84.47137 
1 1 1  -12    2    8 o  1293.79   25.133 29795.74  1148.98 30563.70  1624.94 29027.86  1624.86  1310.58   35.080  1276.99   36.000 33.58594 50.26535 
1 1 1  -12    2   10 o  1314.70   25.499 30777.33  1184.33 31844.79  1674.94 29710.00  1674.84  1337.68   35.427  1291.73   36.684 45.94128 50.99792 
1 1 1  -12    2   12 o  1225.32   23.984 26713.69  1038.24 27608.41  1468.34 25819.08  1468.25  1245.98   33.342  1204.67   34.484 41.31555 47.96711 
1 1 1  -12    2   14 o  690.136   15.888  8442.41  387.528  8531.45  548.075  8353.38  548.020  693.786   22.351  686.486   22.586 7.300232 31.77578 
1 1 1  -12    2   16 o  1086.82   21.862 21003.30  839.737 21261.31  1187.60 20745.32  1187.54  1093.53   30.727  1080.10   31.107 13.43237 43.72414 
1 1 1  -12    2   18 o  1030.64   20.960 18892.03  763.332 19353.00  1079.56 18431.12  1079.47  1043.29   29.277  1017.98   30.002 25.30688 41.91944 
1 1 1  -12    2   20 o  559.183   28.578  5562.69  564.812   0.0000   0.0000  5562.69  564.812  ?   ?   559.183   28.578      ?      ? 
1 1 1  -12    2   22 o  571.615   20.474  5822.28  413.633  5784.31  585.145  5860.20  584.786  569.735   29.058  573.494   28.850 -3.759155 40.94773 
1 1 1  -12    2   24 o  768.586   20.761 10481.57  533.143 10780.61  923.736 10332.19  652.856  775.412   33.705  761.760   24.248 13.65198 41.52116 
1 1 1  -12    2   26 o  569.799   18.458  5948.22  345.451  5413.24  598.554  6215.43  423.013  548.742   30.861  590.857   20.256 -42.11420 36.91508 
1 1 1  -12    2   28 o  537.240   20.058  5207.79  380.875  5185.63  538.803  5229.92  538.473  536.070   28.437  538.409   28.296 -2.339600 40.11692 
1 1 1  -12    2   30 o  269.287   13.934  1289.99  125.232  1323.30  217.306  1273.43  153.238  271.315   22.661  267.260   16.222 4.055695 27.86896 
1 1 1  -12    2   32 o  404.806   17.802  2977.22  253.628  3289.54  358.993  2665.97  358.375  426.588   23.810  383.023   26.472 43.56555 35.60474 
1 1 1  -12    2   34 o  443.652   18.686  3591.54  292.993  3549.49  414.512  3633.52  414.197  440.967   26.596  446.336   26.256 -5.369476 37.37236 
1 1 1  -12    2   36 o  571.540   29.741  6035.50  600.797   0.0000   0.0000  6035.50  600.797  ?   ?   571.540   29.741      ?      ? 
1 1 1  -12    2   38 o  338.507   17.406  2100.92  207.158  1862.30  293.071  2339.19  292.860  318.573   26.028  358.441   23.117 -39.86728 34.81149 
1 1 1  -12    2   40 o  164.452   22.126  493.607  128.608  493.607  128.608   0.0000   0.0000  164.452   22.126  ?   ?       ?      ? 
1 1 1  -12    2   42 o  332.246   17.361  2047.62  203.757  1971.35  288.207  2123.83  288.103  325.750   25.032  338.741   24.064 -12.99036 34.72278 
1 1 1  -12    2   44 o  217.968   13.366  869.839   96.617  874.494  168.453  867.557  117.945  217.024   21.961  218.912   15.244 -1.888062 26.73298 
1 1 1  -12    2   46 o   69.608   14.373   98.717   38.726   48.428   69.957  120.936   46.500   59.572   23.156   79.643   17.034 -20.07113 28.74643 
1 1 1  -12    2   48 o  103.478   23.212  218.160   82.804   0.0000   0.0000  218.160   82.804  ?   ?   103.478   23.212      ?      ? 
1 1 1  -12    3    1 o  768.975   17.112 10484.60  465.052 10610.22  657.705 10359.01  657.660  773.596   24.055  764.354   24.344 9.242798 34.22332 
1 1 1  -12    3    3 o  894.418   18.898 14195.08  597.357 14434.19  844.819 13955.99  844.763  901.981   26.500  886.854   26.950 15.12659 37.79636 
1 1 1  -12    3    5 o  1736.05   32.564 53909.32  1997.31 55658.93  2824.67 52159.82  2824.57  1764.57   45.291  1707.54   46.802 57.02539 65.12790 
1 1 1  -12    3    7 o  1073.48   21.647 20479.70  820.825 21306.14  1160.88 19653.40  1160.77  1095.26   29.988  1051.70   31.227 43.55981 43.29470 
1 1 1  -12    3    9 o  580.043   14.505  5960.29  297.332  6066.44  420.532  5854.18  420.450  585.220   20.331  574.867   20.693 10.35291 29.00964 
1 1 1  -12    3   11 o  1358.56   26.242 32877.25  1259.76 33736.34  1781.61 32018.24  1781.52  1376.45   36.621  1340.67   37.597 35.78015 52.48457 
1 1 1  -12    3   13 o  534.901   13.767  5069.02  260.170  5242.13  367.992  4896.01  367.879  544.055   19.137  525.748   19.797 18.30731 27.53475 
1 1 1  -12    3   15 o  388.740   12.473  2676.12  171.354  2732.83  242.371  2619.44  242.292  392.866   17.455  384.614   17.824 8.252747 24.94695 
1 1 1  -12    3   17 o  646.580   18.209  7286.62  395.482  7853.32  685.342  7003.71  484.242  664.662   29.173  628.497   21.799 36.16547 36.41822 
1 1 1  -12    3   19 o  683.897   22.429  8298.46  542.151   0.0000   0.0000  8298.46  542.151  ?   ?   683.897   22.429      ?      ? 
1 1 1  -12    3   21 o  355.177   14.076  2170.39  168.620  2460.00  292.509  2026.26  206.357  372.221   22.234  338.132   17.267 34.08923 28.15132 
1 1 1  -12    3   23 o   66.126   12.915   84.252   31.278   51.062   55.106  100.027   37.991   58.451   20.976   73.800   15.074 -15.34954 25.83031 
1 1 1  -12    3   25 o  691.984   19.260  8451.73  446.516  8910.73  773.794  8222.59  546.724  704.663   31.069  679.304   22.771 25.35944 38.51997 
1 1 1  -12    3   27 o  807.441   21.992 11802.50  590.233 11707.62  1022.68 11849.89  722.754  801.946   36.081  812.935   25.154 -10.98962 43.98369 
1 1 1  -12    3   29 o  556.037   20.168  5532.92  396.365   0.0000   0.0000  5532.92  396.365  ?   ?   556.037   20.168      ?      ? 
1 1 1  -12    3   31 o  292.456   16.421  1542.23  169.736  1560.47  240.469  1524.12  239.618  294.203   23.126  290.708   23.321 3.495361 32.84275 
1 1 1  -12    3   33 o  490.096   16.875  4369.53  274.460  4297.92  475.802  4405.24  335.994  484.945   27.760  495.248   19.195 -10.30310 33.74975 
1 1 1  -12    3   35 o  333.549   16.961  2022.89  199.823  2110.30  283.013  1936.00  282.174  340.927   23.487  326.171   24.477 14.75693 33.92246 
1 1 1  -12    3   37 o  534.109   20.480  5274.19  386.161  4991.30  546.286  5556.72  545.942  519.125   29.773  549.092   28.131 -29.96686 40.96084 
1 1 1  -12    3   39 o  513.853   20.143  4905.41  365.804  4839.43  517.701  4971.20  516.949  510.206   28.709  517.500   28.263 -7.293823 40.28624 
1 1 1  -12    3   41 o  248.660   16.453  1138.24  144.270  1055.19  204.327  1220.81  203.730  239.223   24.166  258.097   22.333 -18.87399 32.90540 
1 1 1  -12    3   43 o  171.410   12.764  541.688   71.798  516.279  125.923  553.927   87.396  167.403   21.282  175.417   14.096 -8.014145 25.52725 
1 1 1  -12    3   45 o  118.241   13.010  238.916   51.683  321.449   92.312  201.234   62.375  131.633   19.841  104.849   16.832 26.78371 26.01904 
1 1 1  -12    3   47 o   58.579   19.003   63.867   44.979   0.0000   0.0000   63.867   44.979  ?   ?    58.579   19.003      ?      ? 
1 1 1  -12    4    2 o  1292.44   25.307 29732.05  1156.02 29579.26  1634.86 29884.85  1634.85  1289.10   35.882  1295.79   35.696 -6.689697 50.61366 
1 1 1  -12    4    4 o  1261.93   24.462 28332.02  1090.98 28688.88  1542.91 27975.18  1542.85  1269.93   34.375  1253.93   34.812 16.00110 48.92342 
1 1 1  -12    4    6 o  933.443   19.068 15461.21  629.073 15316.57  889.675 15605.83  889.613  929.059   27.094  937.827   26.838 -8.767822 38.13624 
1 1 1  -12    4    8 o  384.461   12.450  2617.56  169.085  2716.10  239.170  2519.09  239.073  391.709   17.275  377.212   17.932 14.49783 24.89947 
1 1 1  -12    4   10 o  789.947   17.334 11070.16  483.644 11535.96  684.044 10604.56  683.908  806.627   23.993  773.268   25.023 33.35883 34.66782 
1 1 1  -12    4   12 o  1107.38   26.712 21653.55  989.598 22471.25  1714.35 21244.94  1211.89  1121.48   43.250  1093.28   31.363 28.20752 53.42456 
1 1 1  -12    4   14 o  1354.26   31.671 32559.88  1433.78 33620.73  2483.72 32029.66  1755.90  1368.02   51.368  1340.50   37.060 27.51843 63.34125 
1 1 1  -12    4   16 o  1001.37   24.851 17744.77  831.678 18260.23  1440.88 17487.23  1018.46  1010.87   40.329  991.881   29.051 18.98645 49.70284 
1 1 1  -12    4   18 o  543.728   19.934  5240.75  383.091   0.0000   0.0000  5240.75  383.091  ?   ?   543.728   19.934      ?      ? 
1 1 1  -12    4   20 o  454.400   15.478  3597.82  236.162  3877.56  409.597  3458.52  289.044  467.106   24.810  441.693   18.515 25.41327 30.95680 
1 1 1  -12    4   22 o  700.132   22.841  8761.62  565.165  8897.71  799.517  8625.70  799.012  705.626   32.058  694.638   32.544 10.98730 45.68180 
1 1 1  -12    4   24 o  878.536   22.458 13668.06  660.833 14379.53  1145.06 13312.76  809.189  893.538   36.257  863.534   26.512 30.00439 44.91652 
1 1 1  -12    4   26 f  581.809   20.628  6035.10  424.180   0.0000   0.0000  6035.10  424.180  ?   ?   581.809   20.628      ?      ? 
1 1 1  -12    4   28 o  693.986   19.759  8662.57  457.316  8824.08  792.548  8581.95  559.935  696.310   32.203  691.661   22.905 4.648621 39.51818 
1 1 1  -12    4   30 o  382.258   14.428  2538.77  186.002  2892.01  322.810  2363.20  227.578  400.852   22.785  363.663   17.706 37.18933 28.85533 
1 1 1  -12    4   32 o  627.795   17.836  6941.83  377.460  7854.26  654.516  6487.14  462.033  655.707   28.242  599.884   21.791 55.82251 35.67154 
1 1 1  -12    4   34 o  195.162   13.677  684.115   88.695  688.246  154.402  682.080  108.357  195.015   22.401  195.310   15.697 -0.2949066 27.35304 
1 1 1  -12    4   36 o  787.909   26.196 11778.16  727.567 10859.55  1029.18 12695.92  1028.70  754.925   38.571  820.893   35.455 -65.96863 52.39108 
1 1 1  -12    4   40 o  263.688   12.988  1225.22  115.002  1361.40  200.434  1158.39  140.414  273.501   20.734  253.875   15.648 19.62598 25.97664 
1 1 1  -12    4   42 o  519.120   28.890  5102.91  530.079   0.0000   0.0000  5102.91  530.079  ?   ?   519.120   28.890      ?      ? 
1 1 1  -12    4   44 o  244.219   23.477  1118.75  202.644  1118.75  202.644   0.0000   0.0000  244.219   23.477  ?   ?       ?      ? 
1 1 1  -12    5    1 o  730.025   16.833  9448.72  434.311  9553.83  614.235  9343.62  614.181  734.099   23.673  725.952   23.937 8.146729 33.66609 
1 1 1  -12    5    3 o  655.276   15.743  7610.57  364.521  7797.98  515.539  7423.21  515.483  663.366   21.988  647.185   22.535 16.18152 31.48527 
1 1 1  -12    5    5 o  637.532   15.260  7202.42  343.797  7348.37  486.243  7056.51  486.162  644.008   21.362  631.056   21.797 12.95197 30.51944 
1 1 1  -12    5    7 o  1248.19   31.140 28332.81  1281.72 26406.96  2220.19 29295.50  1569.71  1213.21   51.777  1283.17   34.611 -69.95923 62.27948 
1 1 1  -12    5    9 o  402.077   14.377  2793.61  194.595  3090.75  337.508  2645.65  238.167  417.574   22.868  386.581   17.431 30.99246 28.75397 
1 1 1  -12    5   11 o  1361.29   30.384 32363.98  1391.72 35523.99  2410.99 30784.86  1704.35  1407.98   48.448  1314.58   36.682 93.40076 60.76815 
1 1 1  -12    5   13 o  544.422   16.039  5110.54  294.307  5728.05  510.310  4802.79  360.255  568.160   25.412  520.684   19.576 47.47571 32.07784 
1 1 1  -12    5   15 o  419.335   15.319  3091.33  214.766  3198.02  372.453  3038.19  262.868  424.499   24.824  414.172   17.957 10.32657 30.63819 
1 1 1  -12    5   17 o  703.222   19.611  8731.23  460.820  8975.39  798.612  8609.36  564.228  709.882   31.829  696.562   22.918 13.32025 39.22173 
1 1 1  -12    5   19 o  542.441   19.926  5236.61  382.032  5247.97  540.815  5225.31  539.737  543.029   28.178  541.854   28.183 1.174194 39.85269 
1 1 1  -12    5   21 o  950.711   23.858 16032.89  758.248 16566.35  1313.82 15766.46  928.487  960.710   38.692  940.713   27.925 19.99762 47.71692 
1 1 1  -12    5   23 o  1046.01   30.422 19828.00  1124.66 20078.34  1590.81 19577.86  1590.21  1052.78   42.753  1039.25   43.293 13.52698 60.84443 
1 1 1  -12    5   25 o  310.185   13.837  1676.04  144.156  1829.89  250.509  1599.86  176.265  320.283   22.129  300.087   16.619 20.19580 27.67480 
1 1 1  -12    5   27 o  300.574   14.210  1609.76  142.225  1626.30  247.023  1601.56  173.950  301.189   23.205  299.960   16.407 1.228668 28.41952 
1 1 1  -12    5   29 o  1004.29   25.335 18346.49  851.649 19400.98  1475.71 17819.90  1042.84  1019.21   40.965  989.381   29.822 29.82721 50.67054 
1 1 1  -12    5   31 o  799.335   23.302 12100.20  608.876 10877.72  1055.01 12710.73  745.576  761.255   39.211  837.414   25.190 -76.15887 46.60501 
1 1 1  -12    5   33 o  314.731   14.685  1797.75  153.011  1749.27  265.906  1821.74  187.090  310.421   24.236  319.040   16.591 -8.619080 29.37090 
1 1 1  -12    5   35 o  100.861   15.819  190.781   54.899  205.340   79.660  177.612   75.763  104.594   22.233   97.128   22.509 7.465599 31.63854 
1 1 1  -12    5   37 o  744.419   24.942 10476.23  656.242 10413.09  928.810 10539.17  927.325  741.981   35.417  746.856   35.130 -4.874939 49.88460 
1 1 1  -12    5   39 o  193.012   22.577  680.492  154.015  680.492  154.015   0.0000   0.0000  193.012   22.577  ?   ?       ?      ? 
1 1 1  -12    5   41 o  311.667   24.307  1796.85  267.763  1796.85  267.763   0.0000   0.0000  311.667   24.307  ?   ?       ?      ? 
1 1 1  -12    5   43 o  350.466   25.311  2310.72  313.524  2310.72  313.524   0.0000   0.0000  350.466   25.311  ?   ?       ?      ? 
1 1 1  -12    5   45 o  141.745   22.741  380.587  113.929   0.0000   0.0000  380.587  113.929  ?   ?   141.745   22.741      ?      ? 
1 1 1  -12    5   47 o  259.836   24.030  1335.19  220.682   0.0000   0.0000  1335.19  220.682  ?   ?   259.836   24.030      ?      ? 
1 1 1  -12    6    2 o  713.474   22.121  9563.27  508.062  7706.64  880.086 10491.27  622.212  657.628   37.864  769.320   22.883 -111.6924 44.24136 
1 1 1  -12    6    4 o  427.017   18.421  3238.24  277.650  3051.01  393.165  3424.50  392.149  414.641   26.828  439.392   25.251 -24.75128 36.84201 
1 1 1  -12    6    6 f  1301.84   33.148 31170.56  1414.56 27987.31  2450.28 32761.82  1732.42  1247.27   55.582  1356.42   36.136 -109.1438 66.29604 
1 1 1  -12    6    8 o  774.047   20.607 10533.24  533.891 10977.40  925.109 10311.43  653.745  785.561   33.319  762.532   24.257 23.02893 41.21339 
1 1 1  -12    6   10 o  914.195   27.174 14903.51  878.019 14958.54  1242.12 14848.55  1241.29  915.895   38.371  912.496   38.488 3.398621 54.34712 
1 1 1  -12    6   12 o  642.058   18.250  7238.27  392.246  7560.42  679.906  7077.56  480.220  652.225   29.494  631.891   21.502 20.33417 36.49960 
1 1 1  -12    6   14 o  596.927   17.920  6304.48  356.809  6388.04  618.471  6262.80  436.837  599.446   29.191  594.408   20.793 5.038269 35.83937 
1 1 1  -12    6   16 o  248.945   15.986  1179.61  126.489  901.890  220.201  1316.38  154.526  225.238   27.660  272.653   16.035 -47.41530 31.97226 
1 1 1  -12    6   18 o  285.967   22.927  1451.94  231.733   0.0000   0.0000  1451.94  231.733  ?   ?   285.967   22.927      ?      ? 
1 1 1  -12    6   20 o  802.993   20.543 11245.54  554.715 12294.63  961.556 10722.24  679.115  829.503   32.797  776.482   24.745 53.02167 41.08504 
1 1 1  -12    6   22 o  368.593   15.175  2439.07  185.100  2347.79  321.536  2484.31  226.373  362.977   25.063  374.209   17.116 -11.23178 30.34937 
1 1 1  -12    6   24 f  602.658   17.823  6417.54  359.531  6726.90  623.422  6263.37  440.089  612.360   28.804  592.956   20.999 19.40387 35.64598 
1 1 1  -12    6   26 o  904.192   24.203 14983.47  724.956 14559.01  1256.19 15195.43  887.700  889.790   39.944  918.594   27.342 -28.80396 48.40511 
1 1 1  -12    6   28 o  334.568   13.988  1953.52  157.301  2163.70  273.596  1849.74  192.253  347.104   22.301  322.032   16.891 25.07147 27.97593 
1 1 1  -12    6   30 o  122.336   11.654  243.545   47.920  353.819   85.432  192.923   57.884  140.690   17.181  103.982   15.750 36.70779 23.30729 
1 1 1  -12    6   32 o  336.978   17.048  2059.23  203.042  2080.76  288.009  2037.96  286.290  338.748   24.055  335.208   24.164 3.540161 34.09628 
1 1 1  -12    6   34 o  883.755   27.473 14855.73  856.740 15777.32  1212.47 13936.75  1210.75  913.171   37.566  854.340   40.096 58.83069 54.94505 
1 1 1  -12    6   36 o  649.138   22.142  7848.56  507.310  8318.08  718.666  7382.22  716.230  669.474   30.372  628.801   32.227 40.67279 44.28353 
1 1 1  -12    6   38 o  280.787   23.269  1441.01  230.928   0.0000   0.0000  1441.01  230.928  ?   ?   280.787   23.269      ?      ? 
1 1 1  -12    6   40 o  304.348   17.666  1721.60  188.529  1493.50  267.975  1945.16  265.286  283.285   26.764  325.412   23.065 -42.12698 35.33157 
1 1 1  -12    6   42 o   96.112   15.441  186.566   47.426  139.812   92.262  203.356   55.290   86.019   27.144  106.205   14.729 -20.18574 30.88293 
1 1 1  -12    6   44 o  176.396   15.323  577.596   95.014  667.790  140.525  501.639  128.959  189.283   21.005  163.510   22.314 25.77307 30.64545 
1 1 1  -12    6   46 o  398.589   17.900  2971.31  252.177   0.0000   0.0000  2971.31  252.177  ?   ?   398.589   17.900      ?      ? 
1 1 1  -12    6   48 o   92.938   17.664  169.236   55.901   0.0000   0.0000  169.236   55.901  ?   ?    92.938   17.664      ?      ? 
1 1 1  -12    7    1 o  1058.35   30.077 21451.60  1013.54 16395.20  1755.60 23979.38  1241.29  955.157   52.003  1161.55   30.235 -206.3908 60.15414 
1 1 1  -12    7    3 o  486.202   14.808  4070.86  242.666  4574.79  420.993  3820.12  296.962  507.935   23.450  464.470   18.089 43.46558 29.61654 
1 1 1  -12    7    5 o  622.814   18.491  6898.14  383.168  6840.84  664.018  6926.75  469.158  620.427   30.281  625.201   21.231 -4.773987 36.98256 
1 1 1  -12    7    7 o  728.003   18.761  9205.44  459.370 10055.53  796.148  8781.19  562.435  752.221   29.945  703.785   22.611 48.43658 37.52276 
1 1 1  -12    7    9 o  2197.53   53.708 90538.34  3871.04 82652.35  6705.10 94480.86  4740.94  2108.14   89.988  2286.91   58.654 -178.7690 107.4156 
1 1 1  -12    7   11 o  526.510   17.759  4995.46  308.777  4703.40  535.448  5140.97  377.950  514.381   29.452  538.638   19.853 -24.25684 35.51811 
1 1 1  -12    7   13 o  1033.07   29.762 19105.78  1086.39 19637.34  1536.65 18574.59  1536.12  1047.62   41.500  1018.52   42.671 29.10138 59.52389 
1 1 1  -12    7   15 o  324.538   13.447  1808.75  146.959  2054.65  255.970  1687.85  179.488  340.364   21.278  308.713   16.450 31.65051 26.89495 
1 1 1  -12    7   17 o  329.377   23.721  1927.14  276.149   0.0000   0.0000  1927.14  276.149  ?   ?   329.377   23.721      ?      ? 
1 1 1  -12    7   19 o  810.480   25.256 11765.47  723.291 11462.24  1023.19 12068.34  1022.59  799.898   36.191  821.062   35.237 -21.16473 50.51205 
1 1 1  -12    7   21 o  344.330   17.291  2115.02  210.010  1968.23  297.650  2260.54  296.352  332.315   25.342  356.345   23.530 -24.03033 34.58111 
1 1 1  -12    7   23 o  370.421   17.749  2456.44  231.814  2268.46  328.516  2642.87  327.159  356.113   26.100  384.728   24.059 -28.61530 35.49769 
1 1 1  -12    7   25 o  706.673   23.139  9060.56  577.725  9343.08  817.583  8778.81  816.471  717.956   32.219  695.390   33.219 22.56635 46.27744 
1 1 1  -12    7   27 o  716.028   23.786  9387.76  601.838  9183.07  851.563  9592.04  850.691  707.935   34.033  724.121   33.238 -16.18604 47.57158 
1 1 1  -12    7   29 o  594.850   30.094  6467.67  632.724   0.0000   0.0000  6467.67  632.724  ?   ?   594.850   30.094      ?      ? 
1 1 1  -12    7   31 o  577.060   29.732  6113.80  606.414   0.0000   0.0000  6113.80  606.414  ?   ?   577.060   29.732      ?      ? 
1 1 1  -12    7   33 o  321.837   23.881  1881.69  271.649   0.0000   0.0000  1881.69  271.649  ?   ?   321.837   23.881      ?      ? 
1 1 1  -12    7   35 o  512.453   20.929  4873.74  377.025  4328.60  534.265  5414.53  532.130  482.427   31.333  542.478   27.753 -60.05072 41.85711 
1 1 1  -12    7   37 o  201.583   13.110  711.475   87.604  796.403  156.988  673.070  105.570  209.416   21.210  193.750   15.416 15.66614 26.22050 
1 1 1  -12    7   39 o  628.442   17.750  7047.53  375.841  8106.62  653.816  6524.84  459.315  659.169   28.063  597.714   21.742 61.45416 35.50009 
1 1 1  -12    7   41 o  276.908   11.593  1270.36   99.481  1638.50  205.764  1158.05  113.646  299.596   19.432  254.219   12.648 45.37749 23.18550 
1 1 1  -12    7   43 o  148.833   15.075  430.603   67.620  383.623  126.384  449.446   80.040  140.024   26.508  157.643   14.365 -17.61899 30.14991 
1 1 1  -12    7   45 o  133.989   14.798  328.501   70.081   0.0000   0.0000  328.501   70.081  ?   ?   133.989   14.798      ?      ? 
1 1 1  -12    7   47 o   65.272   22.289   81.513   61.730   0.0000   0.0000   81.513   61.730  ?   ?    65.272   22.289      ?      ? 
1 1 1  -12    8    2 o  160.076   17.682  518.303   84.902  337.500  148.295  606.464  103.553  135.059   31.623  185.093   15.829 -50.03465 35.36351 
1 1 1  -12    8    4 o  1065.19   25.452 19949.62  908.792 21090.46  1574.61 19379.78  1112.85  1086.34   41.009  1044.03   30.158 42.31799 50.90476 
1 1 1  -12    8    6 o  973.500   24.550 16924.98  794.897 16760.93  1377.25 17006.92  973.388  968.611   40.229  978.390   28.148 -9.778870 49.09924 
1 1 1  -12    8    8 o  1514.83   41.298 41503.87  2211.14 41622.84  3127.21 41384.92  3126.84  1517.05   58.323  1512.61   58.487 4.439575 82.59687 
1 1 1  -12    8   10 o  269.845   16.151  1292.28  153.913  1232.72  217.639  1351.86  217.692  263.599   23.360  276.091   22.309 -12.49155 32.30106 
1 1 1  -12    8   12 o  234.780   15.764  978.177  130.710  1026.86  185.379  930.045  184.329  240.611   21.798  228.949   22.779 11.66193 31.52864 
1 1 1  -12    8   14 o  435.312   18.123  3368.96  278.552  3546.64  394.253  3191.86  393.611  446.839   24.963  423.784   26.279 23.05475 36.24549 
1 1 1  -12    8   16 o  763.939   34.167 10428.63  922.546   0.0000   0.0000 10428.63  922.546  ?   ?   763.939   34.167      ?      ? 
1 1 1  -12    8   18 o  492.620   19.164  4322.95  333.676  4313.12  472.406  4332.73  471.373  492.053   27.163  493.188   27.042 -1.134827 38.32879 
1 1 1  -12    8   20 o  752.304   24.047 10159.88  639.385 10111.25  904.676 10208.42  903.779  750.471   34.107  754.138   33.907 -3.666199 48.09322 
1 1 1  -12    8   22 o  245.580   15.869  1075.35  137.634  1133.88  196.227  1018.67  193.099  252.199   22.014  238.962   22.863 13.23737 31.73835 
1 1 1  -12    8   24 o  1097.72   32.247 22387.33  1250.95 22795.52  1769.58 21979.58  1768.64  1108.22   45.178  1087.22   46.026 21.00024 64.49357 
1 1 1  -12    8   26 o  124.194   14.973  282.679   62.680  377.312   91.307  198.339   86.199  145.399   17.767  102.990   24.107 42.40883 29.94672 
1 1 1  -12    8   28 o  155.241   15.478  433.140   84.889  445.486  122.364  421.685  117.864  157.358   22.001  153.124   21.778 4.233826 30.95682 
1 1 1  -12    8   30 o  825.212   26.242 12753.90  765.209 13071.27  1082.97 12437.45  1081.37  836.041   36.649  814.383   37.569 21.65851 52.48421 
1 1 1  -12    8   32 f  274.235   15.006  1396.25  134.065  1253.36  234.469  1465.66  163.413  262.285   25.292  286.185   16.155 -23.89935 30.01182 
1 1 1  -12    8   34 o  251.918   12.468  1083.72  105.427  1320.12  186.933  973.449  127.668  270.605   19.545  233.230   15.487 37.37477 24.93699 
1 1 1  -12    8   36 o   99.741   13.543  160.013   41.391  248.029   84.072  131.852   47.554  115.191   21.439   84.290   16.553 30.90068 27.08519 
1 1 1  -12    8   38 o  180.141   17.137  655.761   91.234  487.712  165.822  728.716  109.258  158.835   30.648  201.447   15.345 -42.61148 34.27486 
1 1 1  -12    8   40 o  377.707   17.311  2584.01  231.094   0.0000   0.0000  2584.01  231.094  ?   ?   377.707   17.311      ?      ? 
1 1 1  -12    8   42 o  151.600   13.298  389.060   64.587  500.781  126.284  349.485   75.161  164.282   21.749  138.918   15.308 25.36372 26.59602 
1 1 1  -12    8   44 o   67.067   20.169   85.587   51.695   0.0000   0.0000   85.587   51.695  ?   ?    67.067   20.169      ?      ? 
1 1 1  -12    8   46 o  180.180   15.208  602.212   96.848   0.0000   0.0000  602.212   96.848  ?   ?   180.180   15.208      ?      ? 
1 1 1  -12    9    1 o  994.811   27.965 18552.95  899.881 15413.93  1558.93 20121.58  1102.02  926.018   47.631  1063.60   29.315 -137.5861 55.92900 
1 1 1  -12    9    3 o  741.359   23.705  9794.01  621.074  9636.34  878.567  9951.50  878.095  735.343   33.804  747.374   33.242 -12.03113 47.40995 
1 1 1  -12    9    5 f  398.944   17.445  2831.98  245.004  3129.33  347.060  2536.57  345.920  419.960   23.382  377.928   25.897 42.03259 34.89052 
1 1 1  -12    9    7 o  623.019   21.528  6918.35  472.899  6369.50  668.869  7466.91  668.692  598.100   31.641  647.937   29.199 -49.83771 43.05507 
1 1 1  -12    9    9 o  136.864   16.311  339.536   76.635  299.952  109.357  377.734  107.424  127.775   25.110  145.953   20.824 -18.17838 32.62163 
1 1 1  -12    9   11 o  862.042   26.214 13280.53  798.606 13042.39  1129.56 13518.53  1129.24  854.227   37.412  869.857   36.730 -15.62994 52.42860 
1 1 1  -12    9   13 o  454.595   18.536  3674.86  297.831  3674.83  421.541  3674.89  420.852  454.590   26.236  454.599   26.193 -0.8819580E-02 37.07281 
1 1 1  -12    9   15 o  488.278   19.084  4243.82  329.349  4244.04  466.294  4243.60  465.247  488.287   27.019  488.270   26.959 0.1727295E-01 38.16801 
1 1 1  -12    9   17 o  339.143   24.022  2046.33  287.948  2046.33  287.948   0.0000   0.0000  339.143   24.022  ?   ?       ?      ? 
1 1 1  -12    9   19 o  174.540   16.286  546.462   99.652  476.214  142.881  612.997  139.054  163.436   24.735  185.644   21.193 -22.20836 32.57192 
1 1 1  -12    9   21 o  359.038   17.341  2304.61  220.003  2254.32  311.881  2354.43  310.386  355.083   24.851  362.992   24.193 -7.908386 34.68204 
1 1 1  -12    9   23 o  910.216   39.369 15212.13  1266.55 15212.13  1266.55   0.0000   0.0000  910.216   39.369  ?   ?       ?      ? 
1 1 1  -12    9   25 o  353.492   17.188  2249.53  214.717  2300.99  304.345  2198.54  302.970  357.577   24.081  349.407   24.533 8.169708 34.37674 
1 1 1  -12    9   27 o  231.281   22.491  963.072  183.856   0.0000   0.0000  963.072  183.856  ?   ?   231.281   22.491      ?      ? 
1 1 1  -12    9   29 o  528.024   20.072  5012.57  374.590   0.0000   0.0000  5012.57  374.590  ?   ?   528.024   20.072      ?      ? 
1 1 1  -12    9   31 o  441.669   16.434  3589.31  249.313  4577.25  354.664  2624.23  350.535  504.161   19.903  379.178   26.156 124.9825 32.86749 
1 1 1  -12    9   33 o  711.200   20.070  9203.77  476.919  9663.33  828.050  8975.65  583.401  719.797   32.548  702.602   23.493 17.19543 40.14098 
1 1 1  -12    9   35 o  689.316   19.232  8662.49  442.458  9039.48  768.649  8475.67  541.094  695.906   31.251  682.726   22.424 13.18024 38.46319 
1 1 1  -12    9   37 o  408.056   17.785  3004.80  256.500   0.0000   0.0000  3004.80  256.500  ?   ?   408.056   17.785      ?      ? 
1 1 1  -12    9   39 o  280.775   12.603  1339.15  118.178  1707.63  213.099  1175.50  142.018  306.150   19.694  255.399   15.733 50.75096 25.20633 
1 1 1  -12    9   41 o  233.131   13.910  960.551  105.783  1096.55  195.819  904.510  125.703  242.845   22.814  223.417   15.919 19.42757 27.81901 
1 1 1  -12    9   43 o   54.040   18.151   51.349   40.930   0.0000   0.0000   51.349   40.930  ?   ?    54.040   18.151      ?      ? 
1 1 1  -12    9   45 o  251.494   23.810  1243.13  211.647   0.0000   0.0000  1243.13  211.647  ?   ?   251.494   23.810      ?      ? 
1 1 1  -12   10    2 o  588.401   20.788  6163.23  432.199  5994.79  611.240  6331.66  611.204  580.302   29.801  596.501   28.990 -16.19836 41.57610 
1 1 1  -12   10    4 o  920.030   27.567 15153.25  895.609 14423.30  1266.75 15882.83  1266.42  897.587   39.929  942.474   38.018 -44.88684 55.13361 
1 1 1  -12   10    6 o  722.992   23.497  9337.70  598.862  8563.33  847.022 10111.69  846.815  692.695   34.596  753.289   31.806 -60.59381 46.99497 
1 1 1  -12   10    8 o  252.278   16.711  1141.95  146.782  919.371  208.095  1362.35  207.071  227.435   25.887  277.121   21.141 -49.68611 33.42296 
1 1 1  -12   10   10 o  409.919   17.881  2987.11  259.056  3005.99  366.564  2968.28  366.156  411.219   25.221  408.619   25.353 2.600159 35.76102 
1 1 1  -12   10   12 o  393.994   17.685  2760.47  246.232  2703.70  348.356  2817.16  348.093  389.919   25.277  398.069   24.741 -8.149475 35.37019 
1 1 1  -12   10   14 o  415.470   17.932  3071.97  263.295  3131.12  372.882  3013.15  371.831  419.482   25.150  411.457   25.568 8.025635 35.86446 
1 1 1  -12   10   20 o  838.372   36.835 12765.84  1091.47 12765.84  1091.47   0.0000   0.0000  838.372   36.835  ?   ?       ?      ? 
1 1 1  -12   10   24 o  172.936   21.934  536.718  134.068   0.0000   0.0000  536.718  134.068  ?   ?   172.936   21.934      ?      ? 
1 1 1  -12   10   26 o  544.153   18.115  5392.50  326.661  5268.44  566.862  5454.17  399.701  537.095   29.861  551.210   20.516 -14.11536 36.22983 
1 1 1  -12   10   28 o  285.920   14.063  1454.34  134.009  1514.68  233.942  1424.87  163.491  289.519   22.862  282.321   16.384 7.197388 28.12673 
1 1 1  -12   10   30 o  424.274   18.354  3232.45  275.233   0.0000   0.0000  3232.45  275.233  ?   ?   424.274   18.354      ?      ? 
1 1 1  -12   10   32 o  524.544   16.370  4873.60  288.528  5401.57  501.712  4612.70  352.684  543.290   26.128  505.798   19.728 37.49234 32.73935 
1 1 1  -12   10   34 o  408.627   14.401  2924.16  197.320  3323.96  346.475  2732.24  240.053  427.384   22.937  389.870   17.421 37.51309 28.80248 
1 1 1  -12   10   36 o  320.782   16.189  1849.88  183.552   0.0000   0.0000  1849.88  183.552  ?   ?   320.782   16.189      ?      ? 
1 1 1  -12   10   38 o  195.336   12.447  628.274   79.782  865.778  150.646  535.692   94.055  218.145   19.538  172.527   15.424 45.61833 24.89301 
1 1 1  -12   10   40 o  459.741   18.895  3863.84  307.030   0.0000   0.0000  3863.84  307.030  ?   ?   459.741   18.895      ?      ? 
1 1 1  -12   10   42 o  139.069   13.463  337.190   60.428  409.491  115.346  309.841   70.942  147.684   22.098  130.453   15.386 17.23163 26.92671 
1 1 1  -12   10   44 o   64.539   19.988   79.758   50.283   0.0000   0.0000   79.758   50.283  ?   ?    64.539   19.988      ?      ? 
1 1 1  -12   11    1 o  188.824   15.660  633.124  104.496  618.849  147.290  647.590  148.273  186.673   22.324  190.974   21.967 -4.300461 31.31935 
1 1 1  -12   11    3 o  143.319   16.969  379.298   81.607  270.388  115.605  487.477  115.216  120.864   27.660  165.774   19.664 -44.91017 33.93764 
1 1 1  -12   11    5 o  443.835   18.456  3512.01  288.519  3177.13  407.924  3847.24  408.132  422.477   27.318  465.193   24.823 -42.71585 36.91150 
1 1 1  -12   11    7 o  114.486   16.876  243.068   66.071  208.411   94.693  275.948   92.233  106.149   25.548  122.822   22.057 -16.67296 33.75229 
1 1 1  -12   11    9 o  569.967   20.610  5797.94  414.376  5385.94  586.171  6209.50  585.861  549.525   30.180  590.409   28.075 -40.88422 41.21930 
1 1 1  -12   11   11 o  848.211   25.988 12905.45  779.084 12835.10  1102.04 12975.74  1101.54  845.863   36.862  850.560   36.642 -4.696899 51.97514 
1 1 1  -12   11   13 o  349.579   17.157  2175.69  211.975  2153.11  300.328  2198.10  299.231  347.754   24.435  351.404   24.092 -3.650604 34.31459 
1 1 1  -12   11   17 o  672.671   22.440  8141.10  533.433  8315.42  754.939  7967.27  753.838  679.984   31.412  665.358   32.056 14.62567 44.88047 
1 1 1  -12   11   19 o  414.595   18.009  3082.42  263.838  3165.84  373.920  2999.70  372.333  420.251   25.174  408.938   25.760 11.31238 36.01839 
1 1 1  -12   11   21 o  324.665   16.926  1892.84  194.228  1893.12  275.497  1892.57  273.870  324.674   24.008  324.656   23.867 0.1745605E-01 33.85271 
1 1 1  -12   11   23 o   78.593   16.389  111.801   53.096   40.116   80.310  167.466   70.770   62.415   24.646   94.771   21.608 -32.35611 32.77708 
1 1 1  -12   11   25 o  268.968   16.357  1304.55  155.492  1321.40  221.400  1288.15  218.426  270.680   23.142  267.257   23.124 3.423462 32.71476 
1 1 1  -12   11   27 o  705.542   18.505  8738.97  440.808 10148.36  765.143  8038.80  539.299  744.198   29.089  666.886   22.880 77.31189 37.00929 
1 1 1  -12   11   29 o  441.289   14.573  3382.76  216.957  3943.62  377.690  3106.55  265.050  466.545   22.905  416.034   18.025 50.51178 29.14660 
1 1 1  -12   11   31 o  606.152   15.488  6268.80  318.366  8075.04  553.809  5377.27  389.083  666.441   23.511  545.862   20.167 120.5795 30.97558 
1 1 1  -12   11   33 o  331.011   13.005  1883.01  145.071  2273.70  254.561  1695.10  176.545  354.593   20.312  307.429   16.248 47.16370 26.01043 
1 1 1  -12   11   35 o  457.583   14.472  3630.79  223.550  4382.47  390.587  3264.61  272.617  489.907   22.557  425.259   18.138 64.64822 28.94468 
1 1 1  -12   11   37 o  115.812   11.858  209.963   43.327  318.811   89.121  176.275   49.580  132.503   19.030   99.122   14.152 33.38099 23.71533 
1 1 1  -12   11   39 o  191.828   13.396  638.054   85.023  771.317  155.026  580.726  101.680  204.539   21.444  179.116   16.061 25.42307 26.79210 
1 1 1  -12   11   41 o  184.406   13.096  587.874   80.150  741.063  146.157  521.996   95.846  199.591   20.719  169.221   16.025 30.36966 26.19279 
1 1 1  -12   11   43 o  401.981   27.023  3219.88  383.944   0.0000   0.0000  3219.88  383.944  ?   ?   401.981   27.023      ?      ? 
1 1 1  -12   11   45 o  115.766   23.606  275.876   93.314   0.0000   0.0000  275.876   93.314  ?   ?   115.766   23.606      ?      ? 
1 1 1  -12   12    4 o  412.763   25.412  3033.55  370.727   0.0000   0.0000  3033.55  370.727  ?   ?   412.763   25.412      ?      ? 
1 1 1  -12   12    6 o  601.913   29.801  6470.02  633.998   0.0000   0.0000  6470.02  633.998  ?   ?   601.913   29.801      ?      ? 
1 1 1  -12   12    8 o  343.553   17.290  2106.85  209.147  2313.59  295.380  1898.99  296.178  360.628   23.174  326.477   25.667 34.15073 34.58097 
1 1 1  -12   12   10 o  334.970   17.093  2003.98  201.495  1791.31  285.037  2216.41  284.877  317.016   25.439  352.923   22.838 -35.90714 34.18644 
1 1 1  -12   12   12 o  253.383   16.086  1143.40  144.048  1156.90  203.621  1129.87  203.809  254.893   22.602  251.873   22.894 3.019928 32.17111 
1 1 1  -12   12   14 o  248.393   22.741  1100.11  199.646   0.0000   0.0000  1100.11  199.646  ?   ?   248.393   22.741      ?      ? 
1 1 1  -12   12   16 o  178.005   22.462  565.866  141.318  565.866  141.318   0.0000   0.0000  178.005   22.462  ?   ?       ?      ? 
1 1 1  -12   12   18 o  336.569   14.055  1950.14  159.485  2259.30  277.871  1798.27  194.758  355.355   22.124  317.784   17.340 37.57111 28.10928 
1 1 1  -12   12   20 o  123.456   12.017  253.898   49.121  323.325   90.252  224.676   58.554  134.528   18.981  112.384   14.741 22.14378 24.03303 
1 1 1  -12   12   22 o  237.567   15.810  1080.33  119.519  850.252  209.012  1192.12  145.688  216.550   27.308  258.583   15.941 -42.03339 31.62019 
1 1 1  -12   12   24 f  839.380   23.692 13050.72  659.326 12858.05  1142.94 13146.81  807.170  828.323   39.039  850.438   26.854 -22.11487 47.38340 
1 1 1  -12   12   26 o  691.370   23.068  8857.07  562.373  9538.71  796.026  8177.85  794.607  719.186   31.316  663.554   33.881 55.63287 46.13686 
1 1 1  -12   12   28 o  764.517   20.569 10570.64  527.027 11341.05  914.113 10187.04  645.024  780.532   33.135  748.502   24.382 32.03015 41.13882 
1 1 1  -12   12   30 o  654.142   16.967  7382.12  376.303  9265.71  653.586  6448.13  460.239  711.627   25.985  596.657   21.824 114.9696 33.93438 
1 1 1  -12   12   32 o  430.413   16.206  3347.83  232.334  3442.07  404.261  3301.35  283.904  432.857   26.424  427.968   18.769 4.888947 32.41134 
1 1 1  -12   12   34 o  193.904   15.571  674.975  106.713   0.0000   0.0000  674.975  106.713  ?   ?   193.904   15.571      ?      ? 
1 1 1  -12   12   36 o  454.464   18.589  3745.35  298.595   0.0000   0.0000  3745.35  298.595  ?   ?   454.464   18.589      ?      ? 
1 1 1  -12   12   38 o  276.348   16.517  1383.79  161.330   0.0000   0.0000  1383.79  161.330  ?   ?   276.348   16.517      ?      ? 
1 1 1  -12   12   40 o  114.991   14.522  245.373   52.560  259.427   97.206  239.566   62.482  115.169   24.626  114.813   15.397 0.3561249 29.04326 
1 1 1  -12   12   42 o  178.816   16.201  589.975  102.396   0.0000   0.0000  589.975  102.396  ?   ?   178.816   16.201      ?      ? 
1 1 1  -12   12   44 o  237.992   23.880  1136.29  200.871   0.0000   0.0000  1136.29  200.871  ?   ?   237.992   23.880      ?      ? 
1 1 1  -12   13    1 o  550.136   28.568  5417.03  555.478  5417.03  555.478   0.0000   0.0000  550.136   28.568  ?   ?       ?      ? 
1 1 1  -12   13    3 o  430.669   25.790  3310.86  392.571  3310.86  392.571   0.0000   0.0000  430.669   25.790  ?   ?       ?      ? 
1 1 1  -12   13   11 f  242.788   22.672  1051.62  194.549   0.0000   0.0000  1051.62  194.549  ?   ?   242.788   22.672      ?      ? 
1 1 1  -12   13   13 o  136.144   17.526  329.694   84.332   0.0000   0.0000  329.694   84.332  ?   ?   136.144   17.526      ?      ? 
1 1 1  -12   13   15 o  426.516   21.177  3344.04  310.515  2477.62  440.146  4202.55  438.131  369.283   33.722  483.748   25.625 -114.4648 42.35372 
1 1 1  -12   13   17 o  260.042   15.692  1211.74  144.061  1291.29  205.679  1135.13  201.840  268.502   21.673  251.581   22.699 16.92070 31.38435 
1 1 1  -12   13   19 o  448.924   15.815  3699.88  233.157  3393.48  404.786  3852.01  285.224  433.268   26.433  464.580   17.370 -31.31134 31.62970 
1 1 1  -12   13   21 o  272.229   15.827  1321.73  152.282   0.0000   0.0000  1321.73  152.282  ?   ?   272.229   15.827      ?      ? 
1 1 1  -12   13   23 o  370.173   15.674  2496.49  191.711  2395.35  333.074  2546.59  234.438  363.143   25.950  377.204   17.585 -14.06158 31.34704 
1 1 1  -12   13   25 o  356.198   13.847  2212.24  166.102  2508.25  288.922  2066.11  203.004  372.676   21.935  339.720   16.907 32.95535 27.69419 
1 1 1  -12   13   27 o  350.917   17.840  2264.94  217.894  1825.58  308.243  2703.75  308.053  315.511   27.641  386.322   22.561 -70.81070 35.67962 
1 1 1  -12   13   29 o  229.451   14.664  951.274  111.507  952.096  194.751  950.873  136.007  228.631   24.100  230.270   16.711 -1.638931 29.32727 
1 1 1  -12   13   31 o   91.324   18.363  155.377   57.217   0.0000   0.0000  155.377   57.217  ?   ?    91.324   18.363      ?      ? 
1 1 1  -12   13   33 o   92.649   14.048  147.507   41.078  197.551   78.627  128.720   48.175  102.186   22.389   83.111   16.974 19.07437 28.09573 
1 1 1  -12   13   35 o  134.769   12.929  314.892   57.087  367.593  105.438  293.037   67.899  141.861   21.029  127.677   15.046 14.18389 25.85748 
1 1 1  -12   13   37 o   60.260   16.256   67.963   35.422   0.0000   0.0000   67.963   35.422  ?   ?    60.260   16.256      ?      ? 
1 1 1  -12   13   39 o  242.689   15.081  1137.16  118.263  984.621  206.297  1211.82  144.334  227.320   25.676  258.059   15.825 -30.73828 30.16117 
1 1 1  -12   13   41 o   98.396   15.164  177.568   52.737   0.0000   0.0000  177.568   52.737  ?   ?    98.396   15.164      ?      ? 
1 1 1  -12   13   43 o  247.572   24.007  1227.57  210.072   0.0000   0.0000  1227.57  210.072  ?   ?   247.572   24.007      ?      ? 
1 1 1  -12   14    2 o  280.305   16.680  1416.22  163.141  1672.60  230.651  1159.55  230.781  306.198   21.312  254.411   25.665 51.78755 33.36044 
1 1 1  -12   14    4 o  111.797   15.944  230.898   61.715  159.830   86.827  303.464   87.737   93.036   25.600  130.559   19.013 -37.52227 31.88863 
1 1 1  -12   14    6 o   87.126   22.670  140.592   70.478  140.592   70.478   0.0000   0.0000   87.126   22.670  ?   ?       ?      ? 
1 1 1  -12   14    8 o  212.920   15.463  809.234  116.332  835.747  166.258  783.802  162.833  216.348   21.742  209.492   21.991 6.856155 30.92502 
1 1 1  -12   14   10 o  275.135   22.839  1354.22  222.097   0.0000   0.0000  1354.22  222.097  ?   ?   275.135   22.839      ?      ? 
1 1 1  -12   14   12 o  395.063   25.038  2803.19  349.606   0.0000   0.0000  2803.19  349.606  ?   ?   395.063   25.038      ?      ? 
1 1 1  -12   14   14 o  479.509   26.951  4148.99  456.767   0.0000   0.0000  4148.99  456.767  ?   ?   479.509   26.951      ?      ? 
1 1 1  -12   14   16 o  584.872   20.169  6124.46  416.938   0.0000   0.0000  6124.46  416.938  ?   ?   584.872   20.169      ?      ? 
1 1 1  -12   14   18 o  138.528   16.335  342.339   79.980   0.0000   0.0000  342.339   79.980  ?   ?   138.528   16.335      ?      ? 
1 1 1  -12   14   20 o  362.568   15.585  2435.01  184.840  2178.46  320.734  2562.59  226.176  346.458   26.192  378.678   16.899 -32.21967 31.17065 
1 1 1  -12   14   22 o  176.459   13.718  555.510   80.305  570.135  140.960  548.482   97.711  177.688   22.445  175.230   15.777 2.458023 27.43502 
1 1 1  -12   14   24 o  471.392   16.637  4131.89  256.828  3737.63  445.671  4327.92  314.256  451.682   27.917  491.101   18.105 -39.41901 33.27330 
1 1 1  -12   14   26 f  200.852   14.230  741.132   93.729  689.140  163.703  766.489  114.323  194.715   23.787  206.990   15.627 -12.27557 28.46060 
1 1 1  -12   14   28 o   93.504   15.809  169.704   50.231  131.286   89.933  187.124   60.558   84.874   26.801  102.133   16.776 -17.25982 31.61855 
1 1 1  -12   14   30 o  202.292   14.701  746.080   97.922  729.561  172.003  754.002  119.109  199.674   24.372  204.910   16.446 -5.236633 29.40194 
1 1 1  -12   14   32 o  432.649   17.052  3538.09  240.458  3149.02  417.903  3730.65  294.002  410.902   28.775  454.396   18.306 -43.49371 34.10455 
1 1 1  -12   14   34 o  296.015   14.860  1682.98  141.100  1385.27  246.158  1828.67  172.197  273.211   25.491  318.819   15.281 -45.60776 29.72095 
1 1 1  -12   14   36 o   91.237   15.469  177.266   49.644   85.392   91.257  215.884   59.164   73.144   26.884  109.330   15.311 -36.18609 30.93821 
1 1 1  -12   14   38 o  349.269   16.889  2391.14  190.490  2046.65  330.533  2562.45  233.092  324.624   28.808  373.914   17.637 -49.29022 33.77852 
1 1 1  -12   14   40 o  126.090   23.966  314.915  102.900  314.915  102.900   0.0000   0.0000  126.090   23.966  ?   ?       ?      ? 
1 1 1  -12   15    1 o  267.900   11.172  1202.83  101.616  1553.10  176.279  1028.51  124.357  295.275   16.891  240.526   14.628 54.74925 22.34471 
1 1 1  -12   15    3 o  223.069   13.897  854.047  104.835  1006.84  181.902  778.053  128.283  237.171   21.700  208.967   17.369 28.20404 27.79486 
1 1 1  -12   15    5 f  428.406   16.456  3274.82  235.220  3341.73  407.776  3241.45  287.957  430.655   26.790  426.158   19.118 4.497528 32.91187 
1 1 1  -12   15    7 o  769.132   21.340 10721.11  546.018 10715.88  946.095 10723.73  668.605  765.729   34.957  772.535   24.487 -6.806274 42.68044 
1 1 1  -12   15    9 o  134.970   11.736  336.105   51.342  294.194   90.153  356.223   62.460  128.286   19.883  141.655   12.475 -13.36877 23.47268 
1 1 1  -12   15   11 f  263.629   16.501  1250.40  153.529  1179.73  217.860  1320.11  216.395  256.081   24.070  271.177   22.577 -15.09613 33.00169 
1 1 1  -12   15   13 o  281.793   23.015  1427.94  229.227   0.0000   0.0000  1427.94  229.227  ?   ?   281.793   23.015      ?      ? 
1 1 1  -12   15   15 o  433.314   18.431  3398.51  282.274  3393.57  400.303  3403.39  398.097  432.965   26.159  433.664   25.973 -0.6990967 36.86263 
1 1 1  -12   15   17 o  372.113   24.701  2504.81  324.876   0.0000   0.0000  2504.81  324.876  ?   ?   372.113   24.701      ?      ? 
1 1 1  -12   15   19 o   66.587   19.786   80.758   49.971   0.0000   0.0000   80.758   49.971  ?   ?    66.587   19.786      ?      ? 
1 1 1  -12   15   21 o   95.277   21.958  170.260   72.426   0.0000   0.0000  170.260   72.426  ?   ?    95.277   21.958      ?      ? 
1 1 1  -12   15   23 o  250.542   14.573  1120.76  129.045   0.0000   0.0000  1120.76  129.045  ?   ?   250.542   14.573      ?      ? 
1 1 1  -12   15   25 o  157.639   17.363  445.987   96.743   0.0000   0.0000  445.987   96.743  ?   ?   157.639   17.363      ?      ? 
1 1 1  -12   15   27 o  206.721   22.638  776.367  165.399  776.367  165.399   0.0000   0.0000  206.721   22.638  ?   ?       ?      ? 
1 1 1  -12   15   29 o  372.503   19.966  2614.21  255.452  1941.38  361.926  3282.13  360.604  321.553   31.845  423.452   24.094 -101.8987 39.93296 
1 1 1  -12   15   31 o  291.443   17.196  1743.20  153.157  1128.88  264.890  2051.70  187.714  245.006   30.589  337.881   15.719 -92.87500 34.39149 
1 1 1  -12   15   33 o   35.954   10.062   11.633   15.185   20.700   36.146   9.6891   16.734   42.662   16.627   29.247   11.337 13.41510 20.12455 
1 1 1  -12   15   35 o  318.381   15.144  1922.47  157.360  1719.79  273.003  2023.31  192.568  302.634   25.523  334.128   16.306 -31.49310 30.28701 
1 1 1  -12   15   37 o  270.837   16.569  1387.49  157.280  1186.92  221.397  1591.84  223.473  249.771   25.079  291.904   21.660 -42.13327 33.13795 
1 1 1  -12   15   39 o  337.517   17.837  2227.68  212.362  2074.28  299.633  2382.51  301.021  324.680   26.110  350.354   24.309 -25.67410 35.67480 
1 1 1  -12   15   41 o  251.691   24.075  1268.67  214.165   0.0000   0.0000  1268.67  214.165  ?   ?   251.691   24.075      ?      ? 
1 1 1  -12   16    2 f   43.478   9.1896   35.061   17.172  -0.0000   29.972   52.193   20.952   33.743   14.355   53.214   11.477 -19.47124 18.37920 
1 1 1  -12   16    4 o  380.509   14.286  2513.31  183.462  2861.39  317.900  2339.49  224.646  399.027   22.541  361.992   17.558 37.03513 28.57232 
1 1 1  -12   16    6 o  234.072   15.421  1001.30  118.970  932.832  206.097  1035.52  145.695  227.256   25.659  240.887   17.112 -13.63045 30.84160 
1 1 1  -12   16    8 o  580.711   16.605  5880.84  325.437  6713.81  564.037  5465.16  398.449  609.247   26.194  552.175   20.416 57.07196 33.21028 
1 1 1  -12   16   10 o  576.284   17.810  5941.41  343.226  6187.33  594.777  5818.64  420.261  583.151   28.857  569.417   20.882 13.73401 35.62000 
1 1 1  -12   16   12 o  529.184   19.773  5020.88  369.834   0.0000   0.0000  5020.88  369.834  ?   ?   529.184   19.773      ?      ? 
1 1 1  -12   16   14 f  604.223   19.006  6813.24  376.052  6130.46  651.350  7154.62  460.565  577.465   31.913  630.980   20.652 -53.51477 38.01230 
1 1 1  -12   16   16 f  150.956   12.964  405.475   65.159  417.254  113.677  399.711   79.519  152.231   21.128  149.682   15.031 2.549683 25.92867 
1 1 1  -12   16   18 o  219.651   15.895  912.499  112.941  762.325  195.558  987.656  138.345  204.357   27.075  234.945   16.660 -30.58856 31.79006 
1 1 1  -12   16   20 o  240.331   17.214  1056.78  144.809  899.621  206.006  1210.29  203.596  222.005   26.254  258.657   22.270 -36.65181 34.42728 
1 1 1  -12   16   22 o   62.472   12.952   66.247   30.478   98.051   48.959   46.123   38.945   72.508   18.908   52.436   17.704 20.07146 25.90303 
1 1 1  -12   16   24 o  114.728   22.413  246.460   87.624   0.0000   0.0000  246.460   87.624  ?   ?   114.728   22.413      ?      ? 
1 1 1  -12   16   26 o  167.280   21.730  507.697  128.475   0.0000   0.0000  507.697  128.475  ?   ?   167.280   21.730      ?      ? 
1 1 1  -12   16   30 o  410.737   16.701  3040.35  242.458   0.0000   0.0000  3040.35  242.458  ?   ?   410.737   16.701      ?      ? 
1 1 1  -12   16   32 o  328.366   16.454  2006.58  187.083  1544.12  261.752  2489.55  267.492  287.789   25.733  368.943   20.513 -81.15408 32.90874 
1 1 1  -12   16   34 o  210.038   15.400  819.722  111.490  606.005  153.967  1055.32  161.657  180.006   24.200  240.070   19.052 -60.06442 30.79970 
1 1 1  -12   16   36 o  258.444   16.182  1262.77  146.209  1051.04  204.995  1482.00  208.592  234.999   24.681  281.888   20.936 -46.88892 32.36459 
1 1 1  -12   16   38 o  115.789   14.675  268.315   54.504  227.184   92.621  290.103   67.411  105.921   25.121  125.657   15.178 -19.73574 29.35018 
1 1 1  -12   16   40 o  132.771   16.349  331.031   76.722   0.0000   0.0000  331.031   76.722  ?   ?   132.771   16.349      ?      ? 
1 1 1  -12   17    1 o  294.391   16.294  1563.98  169.461  1623.15  240.054  1505.21  239.256  300.048   22.636  288.734   23.445 11.31363 32.58894 
1 1 1  -12   17    3 o  196.738   12.663  664.131   84.464  792.778  145.924  599.314  103.579  210.231   19.639  183.245   15.993 26.98595 25.32659 
1 1 1  -12   17    5 o  244.655   11.639  1040.44   96.072  1163.63  166.072  978.477  117.780  254.924   18.432  234.385   14.217 20.53957 23.27799 
1 1 1  -12   17    7 o  229.809   12.224  945.122   93.608  941.726  161.790  946.831  114.769  229.049   19.985  230.569   14.083 -1.520599 24.44867 
1 1 1  -12   17    9 o  327.489   16.196  1986.91  173.896  1789.15  300.961  2086.02  213.063  313.551   27.157  341.428   17.656 -27.87720 32.39184 
1 1 1  -12   17   11 o  552.818   19.641  5487.84  383.761   0.0000   0.0000  5487.84  383.761  ?   ?   552.818   19.641      ?      ? 
1 1 1  -12   17   13 o  452.154   15.871  3671.67  239.581  3755.45  414.761  3629.72  293.498  454.432   25.823  449.876   18.458 4.556213 31.74185 
1 1 1  -12   17   15 o  286.623   16.172  1526.74  151.867  1371.61  262.872  1604.46  186.059  274.034   27.141  299.212   17.593 -25.17792 32.34415 
1 1 1  -12   17   17 o  311.301   15.335  1818.36  155.417  1563.98  268.571  1946.44  190.567  292.822   25.950  329.779   16.349 -36.95767 30.67086 
1 1 1  -12   17   19 o  206.122   12.679  738.390   88.440  847.251  152.492  683.215  108.563  216.824   19.898  195.420   15.718 21.40372 25.35740 
1 1 1  -12   17   21 o  174.991   14.464  573.725   82.664  494.281  142.103  614.359  101.629  164.693   24.412  185.288   15.518 -20.59494 28.92710 
1 1 1  -12   17   23 o  269.238   15.011  1331.09  133.605  1257.84  230.790  1368.01  163.853  262.373   24.887  276.103   16.790 -13.73001 30.02159 
1 1 1  -12   17   25 o  107.760   16.910  221.789   65.201  136.448   93.558  302.375   90.914   86.258   27.346  129.262   19.900 -43.00385 33.82039 
1 1 1  -12   17   27 o   47.710   17.799   31.601   40.275   31.601   40.275   0.0000   0.0000   47.710   17.799  ?   ?       ?      ? 
1 1 1  -12   17   33 o  108.937   22.757  228.275   84.794   0.0000   0.0000  228.275   84.794  ?   ?   108.937   22.757      ?      ? 
1 1 1  -12   17   35 o   82.455   16.085  128.176   45.194   0.0000   0.0000  128.176   45.194  ?   ?    82.455   16.085      ?      ? 
1 1 1  -12   17   37 o  138.219   14.863  398.399   63.069  284.344  106.520  459.965   78.261  117.880   26.241  158.559   13.965 -40.67918 29.72590 
1 1 1  -12   17   39 o  186.227   15.707  649.474  103.384   0.0000   0.0000  649.474  103.384  ?   ?   186.227   15.707      ?      ? 
1 1 1  -12   18    2 o   66.405   12.270   72.621   28.950  121.188   49.229   46.945   35.794   80.713   17.740   52.097   16.954 28.61610 24.53913 
1 1 1  -12   18    4 o  246.676   14.167  1067.03  117.812  1185.29  203.650  1007.55  144.434  256.130   22.496  237.223   17.226 18.90675 28.33398 
1 1 1  -12   18    6 o  381.439   15.207  2541.61  195.827  2901.82  339.116  2361.40  239.862  400.143   23.978  362.735   18.709 37.40799 30.41335 
1 1 1  -12   18    8 o  234.020   13.403  950.820  106.043  1094.89  183.348  878.401  129.990  246.464   21.048  221.577   16.598 24.88661 26.80500 
1 1 1  -12   18   10 o  409.340   14.923  2992.62  204.403  3112.82  353.747  2932.37  250.444  414.174   24.165  404.505   17.517 9.669128 29.84643 
1 1 1  -12   18   12 o  286.164   16.226  1483.52  164.014  1545.15  232.483  1422.45  231.423  292.214   22.510  280.115   23.375 12.09879 32.45109 
1 1 1  -12   18   14 o  586.737   17.825  6233.83  349.133  6390.43  604.313  6155.37  427.741  589.376   29.010  584.098   20.719 5.277222 35.64934 
1 1 1  -12   18   16 o  227.920   13.494  946.248  101.936  900.858  175.730  969.267  125.142  222.999   22.296  232.840   15.206 -9.840698 26.98761 
1 1 1  -12   18   18 o  551.318   21.390  5650.37  413.918  4922.32  585.637  6377.09  585.100  513.978   32.238  588.659   28.122 -74.68091 42.77983 
1 1 1  -12   18   20 o  118.376   15.190  270.677   57.724  222.600   98.227  296.039   71.344  108.183   26.010  128.570   15.700 -20.38677 30.38074 
1 1 1  -12   18   22 o  296.262   15.892  1601.93  164.702  1328.91  230.214  1888.19  235.731  269.657   24.155  322.866   20.657 -53.20813 31.78317 
1 1 1  -12   18   24 o   22.037   6.7427   4.5887   6.2215   7.6719   6.2837 -148.8090   44.322   21.399   7.1105   22.675   11.458 -1.276243 13.48538 
1 1 1  -12   18   26 o  216.955   16.190  861.628  124.067  843.169  171.766  881.762  179.397  214.611   22.645  219.298   23.145 -4.686783 32.38010 
1 1 1  -12   18   28 o  389.562   16.004  2798.99  213.415  1971.95  292.460  3741.01  312.128  325.805   25.397  453.318   19.481 -127.5132 32.00828 
1 1 1  -12   18   30 o   55.728   12.250   52.196   26.984   78.566   42.317   34.127   35.029   64.716   17.899   46.740   16.729 17.97581 24.49925 
1 1 1  -12   18   32 o   72.198   21.343   98.740   58.258   98.740   58.258   0.0000   0.0000   72.198   21.343  ?   ?       ?      ? 
1 1 1  -12   18   34 o   93.983   22.494  173.426   73.724   0.0000   0.0000  173.426   73.724  ?   ?    93.983   22.494      ?      ? 
1 1 1  -12   18   36 o  140.750   22.259  383.588  110.730   0.0000   0.0000  383.588  110.730  ?   ?   140.750   22.259      ?      ? 
1 1 1  -12   18   38 o  281.651   16.660  1500.41  165.847   0.0000   0.0000  1500.41  165.847  ?   ?   281.651   16.660      ?      ? 
1 1 1  -12   19    1 o  113.456   13.139  221.546   50.815  268.541   86.740  196.990   62.701  122.067   20.105  104.845   16.920 17.22150 26.27735 
1 1 1  -12   19    3 o  189.945   11.694  614.157   75.696  768.682  129.714  534.362   93.213  206.979   17.731  172.912   15.252 34.06703 23.38871 
1 1 1  -12   19    5 o   75.726   14.070  103.167   36.879  122.265   62.307   92.867   45.755   80.846   21.451   70.605   18.215 10.24043 28.14090 
1 1 1  -12   19    7 o  313.975   14.157  1739.70  149.572  1896.22  258.539  1660.96  183.375  323.537   22.609  304.414   17.043 19.12311 28.31334 
1 1 1  -12   19    9 o  396.800   15.749  2843.16  208.444  2875.00  360.388  2827.16  255.521  396.888   25.691  396.713   18.223 0.1749878 31.49803 
1 1 1  -12   19   11 o  114.137   16.640  246.008   64.898  211.763   92.466  279.254   91.108  105.753   25.112  122.521   21.840 -16.76832 33.28074 
1 1 1  -12   19   13 o  426.621   17.165  3355.83  242.101  3190.03  418.547  3439.20  296.791  416.246   28.449  436.996   19.216 -20.74957 34.33088 
1 1 1  -12   19   15 f  207.200   12.936  764.491   90.054  797.068  154.671  747.784  110.764  209.967   20.842  204.433   15.329 5.534500 25.87235 
1 1 1  -12   19   17 o  181.607   12.602  612.104   75.440  536.044  128.233  652.362   93.293  172.079   21.084  191.136   13.810 -19.05608 25.20395 
1 1 1  -12   19   19 o  287.907   15.887  1508.86  160.718  1306.19  224.039  1723.75  230.687  267.512   23.695  308.301   21.170 -40.78897 31.77488 
1 1 1  -12   19   21 o  355.234   17.312  2313.70  217.257  2214.62  304.571  2416.33  309.997  347.320   24.811  363.148   24.152 -15.82843 34.62498 
1 1 1  -12   19   23 o  177.622   12.264  582.994   72.326  525.150  122.247  614.146   89.712  170.005   20.345  185.239   13.702 -15.23396 24.52899 
1 1 1  -12   19   25 o   88.704   15.279  157.234   49.279   90.333   81.006  196.537   62.090   73.054   25.504  104.354   16.834 -31.29938 30.55888 
1 1 1  -12   19   27 o  149.274   14.943  468.178   66.419  275.110  110.284  578.064   83.201  119.010   26.856  179.538   13.111 -60.52821 29.88598 
1 1 1  -12   19   29 o  186.731   16.680  639.886  108.604  588.608  140.496  716.020  171.194  178.107   22.318  195.355   24.794 -17.24812 33.35923 
1 1 1  -12   19   31 o  195.218   15.129  766.265   94.661  539.280  155.254  900.582  119.429  167.804   26.177  222.633   15.177 -54.82886 30.25872 
1 1 1  -12   19   33 o  221.494   16.562  945.409  128.612  818.565  181.950  1072.07  181.820  205.296   25.076  237.692   21.642 -32.39580 33.12372 
1 1 1  -12   19   35 o   98.025   15.075  206.295   51.301  121.173   82.488  259.984   65.511   77.750   25.759  118.300   15.668 -40.55007 30.14991 
1 1 1  -12   19   37 o  154.475   16.878  490.050   89.577  439.381  126.752  540.606  126.610  144.166   25.824  164.784   21.739 -20.61806 33.75563 
1 1 1  -12   20    2 o   71.475   11.790   97.766   29.223   76.744   45.057  113.030   38.393   64.601   18.677   78.350   14.394 -13.74952 23.58020 
1 1 1  -12   20    4 o  186.064   12.944  599.656   81.712  704.067  140.565  546.365  100.422  197.507   20.136  174.621   16.271 22.88664 25.88831 
1 1 1  -12   20    6 o  371.457   15.213  2445.83  190.136  2668.22  328.680  2333.98  233.097  382.663   24.302  360.251   18.307 22.41199 30.42547 
1 1 1  -12   20    8 o  104.965   13.916  210.886   47.529  175.791   79.795  230.184   59.171   96.456   23.599  113.475   14.753 -17.01855 27.83127 
1 1 1  -12   20   10 f  163.734   21.667  485.721  125.385   0.0000   0.0000  485.721  125.385  ?   ?   163.734   21.667      ?      ? 
1 1 1  -12   20   12 o  270.684   14.137  1335.51  127.103  1285.49  218.774  1361.00  156.162  265.787   23.289  275.580   16.033 -9.793152 28.27371 
1 1 1  -12   20   14 o  202.547   16.083  746.114  114.995  745.143  158.752  747.185  166.801  202.550   22.175  202.544   23.300 0.6698608E-02 32.16575 
1 1 1  -12   20   16 o   94.048   13.343  141.712   43.433   68.842   53.552  281.794   74.249   62.884   20.751  125.212   16.777 -62.32856 26.68508 
1 1 1  -12   20   18 o  158.909   14.749  458.573   76.807  293.863  102.348  670.925  116.212  124.748   24.085  193.070   17.030 -68.32175 29.49758 
1 1 1  -12   20   20 o  162.105   14.285  481.125   77.583  464.499  131.274  490.049   96.177  159.205   23.329  165.005   16.491 -5.799622 28.56948 
1 1 1  -12   20   22 o   57.677   12.761   60.326   28.869   50.971   45.471   66.643   37.365   55.397   19.121   59.957   16.903 -4.560253 25.52146 
1 1 1  -12   20   24 o  430.849   17.395  3552.11  244.679  3130.36  421.832  3765.95  300.371  406.602   29.353  455.096   18.674 -48.49423 34.78935 
1 1 1  -12   20   26 o  186.828   14.491  655.635   89.810  595.316  151.991  687.993  111.324  178.730   24.060  194.926   16.158 -16.19623 28.98261 
1 1 1  -12   20   28 o  252.904   16.671  1203.66  148.148  1062.89  209.629  1344.11  209.397  237.164   25.008  268.643   22.053 -31.47855 33.34299 
1 1 1  -12   20   30 o  253.683   15.479  1294.67  125.538  967.141  211.283  1473.39  156.075  223.268   26.774  284.098   15.543 -60.82939 30.95897 
1 1 1  -12   20   32 o  139.112   16.479  380.493   78.469  327.080  111.045  433.767  110.900  127.206   25.585  151.019   20.777 -23.81297 32.95870 
1 1 1  -12   20   34 o   93.312   14.464  176.369   46.994  140.265   71.694  203.566   62.226   82.643   23.455  103.980   16.932 -21.33658 28.92772 
1 1 1  -12   21    1 o  124.152   22.715  288.595   96.001   0.0000   0.0000  288.595   96.001  ?   ?   124.152   22.715      ?      ? 
1 1 1  -12   21    3 o   64.021   16.637   76.301   37.991   0.0000   0.0000   76.301   37.991  ?   ?    64.021   16.637      ?      ? 
1 1 1  -12   21    5 o  190.926   12.592  664.543   81.450  623.896  133.642  688.563  102.735  185.695   20.362  196.158   14.818 -10.46265 25.18317 
1 1 1  -12   21    7 o  160.987   13.241  482.226   71.649  412.666  116.116  524.995   91.049  150.741   21.794  171.234   15.044 -20.49323 26.48226 
1 1 1  -12   21    9 o  209.266   23.206  798.845  171.641   0.0000   0.0000  798.845  171.641  ?   ?   209.266   23.206      ?      ? 
1 1 1  -12   21   11 o  352.498   18.173  2290.67  225.696  2467.31  317.065  2109.23  321.344  366.964   24.446  338.032   26.896 28.93222 36.34562 
1 1 1  -12   21   13 o  422.147   18.763  3291.16  279.842  3365.95  393.694  3214.79  397.850  427.312   26.067  416.983   26.995 10.32880 37.52625 
1 1 1  -12   21   15 o  209.744   13.963  819.291   96.556  732.242  164.874  864.730  119.120  199.988   23.325  219.500   15.354 -19.51219 27.92538 
1 1 1  -12   21   17 o  386.677   15.444  2775.12  197.326  2594.50  339.721  2867.08  242.412  374.660   25.655  398.694   17.203 -24.03391 30.88833 
1 1 1  -12   21   19 o  321.605   15.760  1907.93  168.549  1856.79  289.806  1934.07  207.194  316.297   25.923  326.914   17.932 -10.61737 31.52100 
1 1 1  -12   21   21 o  180.668   15.630  632.826   91.538  504.723  154.864  701.618  113.485  164.234   26.679  197.102   16.290 -32.86853 31.25914 
1 1 1  -12   21   23 o   51.745   10.659   47.744   23.876   4.5271   36.637   79.648   31.479   38.154   16.033   65.335   14.049 -27.18071 21.31745 
1 1 1  -12   21   25 o  348.828   15.538  2324.05  177.738  2066.33  304.801  2456.83  218.786  330.264   26.112  367.393   16.849 -37.12869 31.07574 
1 1 1  -12   21   27 o  205.315   13.242  816.122   89.321  652.517  147.413  911.036  112.279  186.387   22.377  224.244   14.166 -37.85718 26.48418 
1 1 1  -12   21   29 o  102.325   13.963  201.838   48.535  186.093   75.225  213.066   63.526   97.171   22.367  107.480   16.723 -10.30962 27.92691 
1 1 1  -12   21   31 o   73.075   13.683  106.026   36.006   92.585   54.262  116.599   48.128   68.785   20.659   77.364   17.948 -8.578972 27.36675 
1 1 1  -12   21   33 o  178.452   14.054  654.602   81.555  484.539  131.514  760.864  103.958  154.718   24.050  202.187   14.547 -47.46919 28.10738 
1 1 1  -12   22    2 o  143.810   21.779  376.934  110.697  376.934  110.697   0.0000   0.0000  143.810   21.779  ?   ?       ?      ? 
1 1 1  -12   22    8 o  281.546   24.463  1456.87  243.437   0.0000   0.0000  1456.87  243.437  ?   ?   281.546   24.463      ?      ? 
1 1 1  -12   22   10 o  116.635   14.350  243.790   59.158   0.0000   0.0000  243.790   59.158  ?   ?   116.635   14.350      ?      ? 
1 1 1  -12   22   12 o  157.575   11.500  444.465   62.435  458.265  100.790  435.873   79.531  159.242   17.908  155.908   14.433 3.333817 22.99981 
1 1 1  -12   22   14 o  114.879   13.768  240.053   53.431  258.449   85.997  228.486   68.190  117.265   21.543  112.493   17.151 4.772415 27.53603 
1 1 1  -12   22   16 o  175.382   12.059  576.533   70.092  490.081  116.657  625.375   87.685  163.939   20.133  186.826   13.279 -22.88753 24.11790 
1 1 1  -12   22   18 o  359.637   15.048  2401.80  179.503  2286.87  308.214  2460.79  220.818  350.602   24.872  368.671   16.946 -18.06964 30.09672 
1 1 1  -12   22   20 o   75.468   14.281  107.586   38.232  109.191   61.103  106.552   49.011   75.930   21.689   75.006   18.583 0.9240646 28.56133 
1 1 1  -12   22   22 o  229.466   13.868  1015.21  103.679  827.857  175.161  1116.25  128.633  210.391   23.555  248.541   14.643 -38.15010 27.73588 
1 1 1  -12   22   24 o   92.951   15.878  168.862   52.333  126.991   74.164  210.386   73.857   81.083   24.107  104.818   20.670 -23.73448 31.75557 
1 1 1  -12   22   26 o   66.154   14.451   82.199   36.944   87.102   56.198   78.468   49.026   67.842   21.151   64.466   19.699 3.375504 28.90298 
1 1 1  -12   22   28 o   99.423   14.815  195.953   50.663  168.052   77.946  216.363   66.665   91.184   23.896  107.662   17.519 -16.47819 29.63051 
1 1 1  -12   22   30 o  115.865   14.132  151.766   46.826   77.502   51.047  545.894  117.598   63.303   20.214  168.426   19.755 -105.1230 28.26368 
1 1 1  -12   23    1 o  258.284   17.840  1246.38  161.280  1394.34  223.928  1086.90  232.482  275.355   23.009  241.213   27.269 34.14214 35.67921 
1 1 1  -12   23    3 o   86.288   13.828  141.682   40.734  131.860   63.589  148.517   53.047   83.380   21.453   89.196   17.452 -5.816521 27.65508 
1 1 1  -12   23    5 o  146.244   14.020  381.955   70.326  419.216  116.354  360.508   88.275  151.327   21.754  141.162   17.693 10.16522 28.04081 
1 1 1  -12   23    7 o  111.057   16.138  234.376   61.224  219.683   86.801  248.923   86.370  107.311   23.533  114.802   22.088 -7.491951 32.27519 
1 1 1  -12   23    9 o  244.200   16.129  1097.03  139.209  1097.99  196.995  1096.06  196.749  244.306   22.814  244.094   22.805 0.2119293 32.25765 
1 1 1  -12   23   11 o   78.145   21.277  115.616   60.350   0.0000   0.0000  115.616   60.350  ?   ?    78.145   21.277      ?      ? 
1 1 1  -12   23   13 o  311.085   23.984  1794.72  263.709   0.0000   0.0000  1794.72  263.709  ?   ?   311.085   23.984      ?      ? 
1 1 1  -12   23   15 o  118.714   15.131  254.262   63.486   0.0000   0.0000  254.262   63.486  ?   ?   118.714   15.131      ?      ? 
1 1 1  -12   23   17 o  101.456   22.569  197.810   78.841   0.0000   0.0000  197.810   78.841  ?   ?   101.456   22.569      ?      ? 
1 1 1  -12   23   19 o  224.336   13.763  946.289  102.954  858.784  172.389  994.803  128.358  214.468   22.742  234.204   15.506 -19.73537 27.52527 
1 1 1  -12   23   21 o   85.284   13.745  143.414   41.510   98.158   63.963  176.342   54.560   72.166   22.575   98.402   15.687 -26.23607 27.49077 
1 1 1  -12   23   23 o   72.760   13.661  101.900   35.357  102.083   55.184  101.772   46.050   72.712   20.557   72.807   17.998 -0.9443665E-01 27.32249 
1 1 1  -12   23   25 o  165.625   13.736  536.291   75.730  445.127  122.946  592.026   96.132  151.824   22.912  179.426   15.159 -27.60208 27.47225 
1 1 1  -12   23   27 o   70.301   14.408   96.500   37.826  112.473   56.658   83.656   50.808   75.097   20.686   65.505   20.060 9.591568 28.81524 
1 1 1  -12   23   29 o  149.622   13.931  446.897   70.371  382.640  111.595  489.315   90.670  138.066   22.869  161.179   15.916 -23.11330 27.86209 
1 1 1  -12   24    2 o  155.836   16.833  450.522   91.517  444.307  119.939  459.181  141.587  155.160   21.871  156.512   25.595 -1.352859 33.66646 
1 1 1  -12   24    4 o  346.644   17.428  2244.02  213.201  2381.31  301.620  2106.93  301.403  357.835   23.848  335.454   25.421 22.38098 34.85646 
1 1 1  -12   24    6 o  245.034   14.848  1078.54  123.596  1198.74  209.739  1014.59  152.980  254.108   23.353  235.959   18.343 18.14897 29.69567 
1 1 1  -12   24    8 o   72.125   14.470   97.834   38.931  115.227   55.324   80.772   54.795   77.838   20.002   66.412   20.914 11.42516 28.93918 
1 1 1  -12   24   10 o  105.451   14.884  210.148   52.670  217.790   83.238  205.045   68.019  106.517   22.798  104.385   19.142 2.131783 29.76851 
1 1 1  -12   24   12 o  160.956   12.878  478.435   70.321  453.824  115.176  493.061   88.791  156.823   20.779  165.089   15.217 -8.266876 25.75545 
1 1 1  -12   24   14 o   82.313   15.198  130.265   44.920  148.040   63.710  112.693   63.345   87.806   20.841   76.820   22.127 10.98573 30.39637 
1 1 1  -12   24   16 o   69.928   20.528   92.691   54.063   0.0000   0.0000   92.691   54.063  ?   ?    69.928   20.528      ?      ? 
1 1 1  -12   24   18 o   91.786   22.324  164.554   71.727   0.0000   0.0000  164.554   71.727  ?   ?    91.786   22.324      ?      ? 
1 1 1  -12   24   20 o  223.578   14.847  913.091  117.323   0.0000   0.0000  913.091  117.323  ?   ?   223.578   14.847      ?      ? 
1 1 1  -12   24   22 o   19.310   8.2401  -0.1242   9.9301   0.0000   0.0000  -0.1242   9.9301  ?   ?    19.310   8.2401      ?      ? 
1 1 1  -12   24   24 o  128.090   14.645  318.408   63.174  326.027  100.804  313.481   81.068  127.281   23.265  128.900   17.794 -1.618996 29.28983 
1 1 1  -12   24   26 o   93.922   15.547  179.862   50.345  185.822   76.669  175.344   66.753   94.696   23.110   93.149   20.801 1.547462 31.09320 
1 1 1  -12   25    1 f  307.845   14.416  1712.90  150.160  1912.16  257.246  1609.91  184.937  319.276   22.796  296.414   17.653 22.86264 28.83184 
1 1 1  -12   25    3 o   77.732   15.072  115.522   42.198  118.723   65.715  113.276   55.046   78.590   22.508   76.874   20.051 1.716545 30.14350 
1 1 1  -12   25    5 o   43.185   9.9655   22.542   20.149   59.921   30.397  -6.7534   26.910   56.495   14.979   29.875   13.148 26.62033 19.93093 
1 1 1  -12   25    7 o  135.014   21.859  340.317  104.310   0.0000   0.0000  340.317  104.310  ?   ?   135.014   21.859      ?      ? 
1 1 1  -12   25    9 o   73.685   14.064  104.997   37.385   93.472   57.963  113.206   48.920   70.350   21.402   77.020   18.250 -6.669807 28.12704 
1 1 1  -12   25   11 o  133.294   13.527  324.596   62.423  349.250  100.181  308.949   79.810  136.865   20.710  129.723   17.407 7.141754 27.05352 
1 1 1  -12   25   13 o  186.242   14.011  631.844   89.325  704.018  148.800  591.182  111.688  193.382   21.771  179.102   17.644 14.27998 28.02234 
1 1 1  -12   25   15 o  102.873   15.351  202.676   53.099  227.476   85.077  186.851   67.961  107.475   23.085   98.271   20.240 9.203537 30.70201 
1 1 1  -12   25   17 o  108.478   16.289  233.525   60.525  234.599   85.633  232.452   85.559  108.752   22.997  108.205   23.076 0.5460510 32.57855 
1 1 1  -12   25   19 o   33.089   9.1513   12.483   15.565   9.7703   22.065   15.169   21.960   32.037   12.831   34.141   13.051 -2.104458 18.30253 
1 1 1  -12   25   21 o  117.842   16.585  282.369   66.630  261.974   94.203  302.787   94.254  112.913   24.323  122.771   22.552 -9.857552 33.16955 
1 1 1  -12   25   23 o   80.674   22.032  133.764   64.592   0.0000   0.0000  133.764   64.592  ?   ?    80.674   22.032      ?      ? 
1 1 1  -12   26    2 o   42.473   9.9987   28.952   18.671   11.326   26.273   46.939   26.540   34.867   13.988   50.080   14.291 -15.21289 19.99742 
1 1 1  -12   26    4 o  226.591   14.032  950.013  107.814  1011.77  181.827  916.529  133.891  230.442   22.324  222.741   17.007 7.701263 28.06449 
1 1 1  -12   26    6 o   68.348   20.385   89.688   52.968   0.0000   0.0000   89.688   52.968  ?   ?    68.348   20.385      ?      ? 
1 1 1  -12   26    8 o  177.492   13.284  589.332   79.790  586.031  132.876  591.194   99.782  175.666   21.401  179.318   15.744 -3.651855 26.56849 
1 1 1  -12   26   10 o  174.781   15.815  586.689   97.456  631.748  137.978  541.830  137.670  182.042   21.445  167.519   23.252 14.52248 31.63090 
1 1 1  -12   26   12 o  295.206   14.654  1648.40  145.745  1703.52  247.051  1618.98  180.501  295.727   23.636  294.685   17.330 1.042084 29.30865 
1 1 1  -12   26   14 o  244.981   14.486  1109.45  121.057  1304.33  205.080  1005.24  149.974  259.079   22.396  230.883   18.378 28.19571 28.97134 
1 1 1  -12   26   16 o   52.725   11.654   51.806   25.132   31.195   37.092   69.296   34.170   45.534   17.062   59.916   15.880 -14.38220 23.30848 
1 1 1  -12   26   18 o   46.263   10.785   24.329   25.046   74.483   36.260 -21.4296   34.635   61.832   16.344   30.694   14.076 31.13847 21.57024 
1 1 1  -12   27    1 o   77.884   14.630  118.762   40.617  142.018   63.159  102.362   53.040   83.990   21.257   71.778   20.105 12.21146 29.25928 
1 1 1  -12   27    3 o   92.557   17.559  164.192   55.214  138.855   66.151  222.383  100.251   82.814   22.163  102.300   27.241 -19.48560 35.11811 
1 1 1  -12   27    5 o  219.958   17.008  908.860  132.223   0.0000   0.0000  908.860  132.223  ?   ?   219.958   17.008      ?      ? 
1 1 1  -12   27    7 o  142.483   12.952  379.575   63.450  411.084  103.842  360.802   80.153  146.120   20.107  138.846   16.333 7.274567 25.90453 
1 1 1  -12   27    9 o  190.807   13.087  688.256   85.141  715.167  140.815  672.750  106.894  191.937   20.757  189.677   15.945 2.260269 26.17440 
1 1 1  -12   27   11 f   94.501   14.294  178.942   45.786  174.408   70.899  182.185   59.967   92.513   22.004   96.489   18.253 -3.975685 28.58869 
1 1 1  -12   27   13 o  182.134   13.717  651.264   84.216  605.474  138.023  678.422  106.296  174.301   22.404  189.967   15.831 -15.66678 27.43335 
1 1 1  -11    0    1 o  1237.71   24.274 27233.39  1499.16 27233.39  1499.16 27233.39  1499.16  1237.71   34.329  1237.71   34.329 -0.000000 0.000000 
1 1 1  -11    0    3 o  786.746   17.344 10991.23  680.568 10991.23  680.568 10991.23  680.568  786.746   24.529  786.746   24.529 -0.000000 0.000000 
1 1 1  -11    0    5 o  358.184   12.049  2284.68  214.600  2284.68  214.600  2284.68  214.600  358.184   17.039  358.184   17.039 -0.000000 0.000000 
1 1 1  -11    0    7 o  117.446   11.437  257.453   63.518  257.453   63.518  257.453   63.518  117.446   16.175  117.446   16.175 -0.000000 0.000000 
1 1 1  -11    0    9 o  725.280   16.488  9339.66  596.322  9339.66  596.322  9339.66  596.322  725.280   23.317  725.280   23.317 -0.000000 0.000000 
1 1 1  -11    0   11 f  310.015   11.776  1714.45  181.284  1714.45  181.284  1714.45  181.284  310.015   16.654  310.015   16.654 -0.000000 0.000000 
1 1 1  -11    0   13 o  141.785   11.170  368.534   76.650  368.534   76.650  368.534   76.650  141.785   15.797  141.785   15.797 -0.000000 0.000000 
1 1 1  -11    0   15 o  1285.11   25.040 29355.94  1605.67 29355.94  1605.67 29355.94  1605.67  1285.11   35.411  1285.11   35.411 -0.000000 0.000000 
1 1 1  -11    0   17 o  1059.73   21.440 19950.40  1133.60 19950.40  1133.60 19950.40  1133.60  1059.73   30.321  1059.73   30.321 -0.000000 0.000000 
1 1 1  -11    0   19 o  1277.66   24.953 29036.96  1590.86 29036.96  1590.86 29036.96  1590.86  1277.66   35.289  1277.66   35.289 -0.000000 0.000000 
1 1 1  -11    0   21 o  826.061   25.509 12189.70  1048.71 12189.70  1048.71 12189.70  1048.71  826.061   36.075  826.061   36.075 -0.000000 0.000000 
1 1 1  -11    0   23 o  818.425   17.615 11905.57  719.091 11905.57  719.091 11905.57  719.091  818.425   24.911  818.425   24.911 -0.000000 0.000000 
1 1 1  -11    0   25 o  459.263   18.807  3781.21  428.423  3781.21  428.423  3781.21  428.423  459.263   26.597  459.263   26.597 -0.000000 0.000000 
1 1 1  -11    0   27 o  1199.63   34.112 26087.16  2037.93 26087.16  2037.93 26087.16  2037.93  1199.63   48.241  1199.63   48.241 -0.000000 0.000000 
1 1 1  -11    0   29 o  749.871   24.180 10151.80  902.036 10151.80  902.036 10151.80  902.036  749.871   34.196  749.871   34.196 -0.000000 0.000000 
1 1 1  -11    0   31 o  227.230   16.357  948.500  181.370  948.500  181.370  948.500  181.370  227.230   23.132  227.230   23.132 -0.000000 0.000000 
1 1 1  -11    0   33 o  567.704   20.784  5841.64  586.159  5841.64  586.159  5841.64  586.159  567.704   29.393  567.704   29.393 -0.000000 0.000000 
1 1 1  -11    0   35 o  715.253   23.712  9339.25  843.493  9339.25  843.493  9339.25  843.493  715.253   33.534  715.253   33.534 -0.000000 0.000000 
1 1 1  -11    0   37 o  302.906   16.988  1675.68  253.485  1675.68  253.485  1675.68  253.485  302.906   24.025  302.906   24.025 -0.000000 0.000000 
1 1 1  -11    0   39 o  293.205   16.941  1574.77  244.465  1574.77  244.465  1574.77  244.465  293.205   23.958  293.205   23.958 -0.000000 0.000000 
1 1 1  -11    0   41 o   48.231   16.887   61.638   49.017   61.638   49.017   61.638   49.017   48.231   23.881   48.231   23.881 -0.000000 0.000000 
1 1 1  -11    0   43 o   41.189   15.604   43.910   44.072   43.910   44.072   43.910   44.072   41.189   22.068   41.189   22.068 -0.000000 0.000000 
1 1 1  -11    0   45 o  133.389   9.5538  327.157   62.201  327.157   62.201  327.157   62.201  133.389   13.511  133.389   13.511 -0.000000 0.000000 
1 1 1  -11    0   47 o  531.415   14.136  5178.71  374.290  5178.71  374.290  5178.71  374.290  531.415   19.992  531.415   19.992 -0.000000 0.000000 
1 1 1  -11    1    2 f  373.297   12.192  2468.56  160.727  2586.82  227.332  2350.37  227.272  382.257   16.826  364.336   17.649 17.92136 24.38469 
1 1 1  -11    1    4 o  1016.39   20.733 18356.39  744.737 18657.98  1053.23 18054.82  1053.20  1024.79   29.079  1008.00   29.562 16.79004 41.46637 
1 1 1  -11    1    6 o  1053.47   21.309 19725.84  793.242 20223.09  1121.84 19228.63  1121.79  1066.83   29.752  1040.12   30.515 26.70776 42.61830 
1 1 1  -11    1    8 o  111.645   10.444  220.562   41.214  221.432   58.311  219.694   58.258  111.865   14.748  111.424   14.793 0.4403992 20.88889 
1 1 1  -11    1   10 f  797.374   17.459 11276.65  491.976 11481.02  695.779 11072.30  695.739  804.625   24.466  790.122   24.913 14.50262 34.91766 
1 1 1  -11    1   12 o  166.882   13.059  491.210   72.717  498.829  126.058  487.410   89.022  167.796   21.255  165.967   15.176 1.828873 26.11699 
1 1 1  -11    1   14 o  1320.97   25.606 31065.31  1195.45 31384.39  1690.64 30746.25  1690.61  1327.80   36.025  1314.14   36.399 13.66772 51.21151 
1 1 1  -11    1   16 o  625.159   15.071  6925.21  332.989  6980.62  470.926  6869.81  470.910  627.667   21.228  622.652   21.398 5.015076 30.14112 
1 1 1  -11    1   18 o  565.209   14.255  5660.55  284.761  5692.92  402.724  5628.18  402.702  566.830   20.102  563.589   20.216 3.240723 28.50928 
1 1 1  -11    1   20 o  545.297   28.212  5285.80  543.736  5285.80  543.736   0.0000   0.0000  545.297   28.212  ?   ?       ?      ? 
1 1 1  -11    1   22 o  476.523   16.372  4042.94  259.498  3998.57  449.625  4065.10  317.761  474.175   26.828  478.872   18.774 -4.696777 32.74483 
1 1 1  -11    1   24 o  578.543   20.583  5969.68  420.875  6006.48  595.280  5932.89  595.135  580.342   29.021  576.744   29.195 3.597534 41.16551 
1 1 1  -11    1   26 o  417.136   15.610  3103.15  216.638  3081.30  375.445  3114.05  265.250  415.512   25.565  418.759   17.921 -3.247345 31.22073 
1 1 1  -11    1   28 o  470.915   18.857  3981.76  313.836  4044.36  443.908  3919.20  443.754  474.674   26.459  467.157   26.876 7.517120 37.71466 
1 1 1  -11    1   30 o  511.846   19.683  4742.40  355.865  4555.13  503.292  4929.63  503.246  501.495   28.394  522.197   27.266 -20.70230 39.36613 
1 1 1  -11    1   32 o  443.368   18.574  3564.70  291.060  3555.68  411.690  3573.71  411.551  442.791   26.306  443.945   26.229 -1.154175 37.14742 
1 1 1  -11    1   34 o  783.174   25.386 11468.77  702.113 11980.12  993.106 10957.78  992.771  801.633   35.051  764.715   36.731 36.91815 50.77114 
1 1 1  -11    1   36 o  237.684   15.972  1023.95  134.172  1013.86  189.784  1034.04  189.712  236.482   22.706  238.887   22.469 -2.404938 31.94394 
1 1 1  -11    1   38 o  278.764   16.455  1414.71  162.001  1352.05  229.027  1477.46  229.183  272.403   23.788  285.126   22.742 -12.72293 32.90973 
1 1 1  -11    1   40 o   70.718   14.994   91.481   40.803   74.809   57.207  108.746   58.216   65.271   21.443   76.165   20.964 -10.89330 29.98847 
1 1 1  -11    1   42 o   87.307   15.820  145.045   51.062   88.807   72.315  200.962   72.109   71.307   24.125  103.307   20.472 -31.99987 31.64067 
1 1 1  -11    1   44 o  315.445   14.441  1812.05  151.969  1890.92  264.289  1773.08  185.748  318.500   23.477  312.389   16.823 6.111359 28.88259 
1 1 1  -11    1   46 o  310.203   14.945  1855.37  151.425  1655.73  261.390  1956.21  185.772  293.486   25.199  326.921   16.077 -33.43515 29.89094 
1 1 1  -11    2    1 o  1432.68   27.464 36603.74  1390.66 36862.28  1966.71 36345.21  1966.67  1437.79   38.701  1427.58   38.977 10.21106 54.92733 
1 1 1  -11    2    3 o  916.725   19.177 14923.72  621.008 15489.07  878.280 14358.48  878.194  934.172   26.600  899.279   27.630 34.89325 38.35329 
1 1 1  -11    2    5 o  215.437   11.065  821.643   84.219  848.101  119.144  795.221  119.063  218.909   15.399  211.965   15.893 6.944458 22.12910 
1 1 1  -11    2    7 o  551.028   17.042  5306.12  315.036  5630.83  545.627  5143.73  385.849  563.211   27.410  538.845   20.260 24.36615 34.08448 
1 1 1  -11    2    9 o  151.523   10.696  406.449   57.246  423.666   80.989  389.257   80.927  154.736   14.809  148.311   15.438 6.424942 21.39243 
1 1 1  -11    2   11 o  1257.21   24.507 28129.45  1088.48 29082.44  1539.39 27176.57  1539.31  1278.66   34.062  1235.77   35.243 42.89038 49.01300 
1 1 1  -11    2   13 o  112.119   10.506  223.344   41.362  253.168   58.571  193.673   58.420  119.626   13.853  104.613   15.800 15.01301 21.01280 
1 1 1  -11    2   15 o  521.372   13.810  4815.01  254.426  4932.31  359.847  4697.75  359.778  527.736   19.292  515.007   19.765 12.72845 27.61978 
1 1 1  -11    2   17 o  914.739   19.075 14854.51  616.694 15022.03  872.178 14687.02  872.097  919.919   26.825  909.558   27.128 10.36145 38.15076 
1 1 1  -11    2   19 o  790.414   24.532 11087.14  685.347   0.0000   0.0000 11087.14  685.347  ?   ?   790.414   24.532      ?      ? 
1 1 1  -11    2   21 o  452.380   18.416  3636.45  294.437  3673.24  416.579  3599.74  416.214  454.677   25.922  450.082   26.164 4.594818 36.83103 
1 1 1  -11    2   23 o  497.385   19.210  4404.02  337.703  4362.92  477.796  4445.04  477.372  495.048   27.307  499.723   27.028 -4.674835 38.42091 
1 1 1  -11    2   25 o  345.287   15.174  2165.07  172.421  1991.22  298.903  2251.77  211.080  334.271   25.299  356.302   16.761 -22.03107 30.34806 
1 1 1  -11    2   27 o  1014.01   25.130 18385.89  853.010 19304.96  1477.78 17926.66  1044.60  1029.13   40.627  998.885   29.588 30.24731 50.25973 
1 1 1  -11    2   29 o  597.846   18.565  6487.77  367.759  6280.83  637.229  6591.12  450.322  588.638   30.629  607.054   20.988 -18.41565 37.12970 
1 1 1  -11    2   31 o  416.856   25.629  3141.24  377.608   0.0000   0.0000  3141.24  377.608  ?   ?   416.856   25.629      ?      ? 
1 1 1  -11    2   33 o  292.789   16.431  1549.71  169.944  1609.78  240.585  1489.88  240.090  298.576   22.798  287.003   23.668 11.57257 32.86233 
1 1 1  -11    2   35 o  229.411   15.870  952.515  128.676  962.062  182.237  943.022  181.715  230.577   22.362  228.245   22.525 2.332245 31.73996 
1 1 1  -11    2   37 o  428.480   18.386  3361.85  278.180  3527.77  393.711  3196.45  393.103  439.407   25.351  417.553   26.636 21.85358 36.77162 
1 1 1  -11    2   39 o  615.121   22.024  7081.42  478.673  7280.45  677.177  6882.65  676.715  624.257   30.692  605.984   31.595 18.27271 44.04815 
1 1 1  -11    2   41 o  212.851   13.632  842.907   94.874  762.026  165.066  882.809  115.938  203.906   22.904  221.797   14.789 -17.89102 27.26374 
1 1 1  -11    2   43 o  119.560   12.562  245.232   50.458  307.004   89.572  216.518   61.069  129.630   19.550  109.489   15.781 20.14153 25.12440 
1 1 1  -11    2   45 o   72.974   13.886  101.324   34.816   98.410   62.980  102.606   41.781   72.287   22.367   73.661   16.462 -1.374672 27.77174 
1 1 1  -11    2   47 f  259.758   15.900  1244.57  145.976   0.0000   0.0000  1244.57  145.976  ?   ?   259.758   15.900      ?      ? 
1 1 1  -11    3    2 o  699.315   16.208  8669.95  400.565  8838.34  566.501  8501.58  566.468  706.128   22.698  692.503   23.144 13.62433 32.41687 
1 1 1  -11    3    4 o  688.586   16.040  8407.98  390.145  8735.74  551.783  8080.29  551.713  702.052   22.237  675.121   23.121 26.93109 32.07932 
1 1 1  -11    3    6 o  1022.13   20.747 18560.69  749.218 19157.96  1059.60 17963.52  1059.51  1038.66   28.863  1005.60   29.810 33.06213 41.49372 
1 1 1  -11    3    8 o  1320.46   25.621 31056.49  1195.23 32111.35  1690.36 30001.74  1690.26  1343.06   35.609  1297.86   36.847 45.20142 51.24213 
1 1 1  -11    3   10 o  1090.04   21.832 21120.51  840.515 22032.86  1188.72 20208.33  1188.61  1113.72   30.198  1066.36   31.537 47.35681 43.66346 
1 1 1  -11    3   12 o  138.120   10.413  337.906   50.741  361.842   71.844  314.083   71.674  143.011   14.213  133.228   15.221 9.782730 20.82561 
1 1 1  -11    3   14 o  950.383   23.959 15972.62  760.623 16353.20  1317.68 15782.43  931.484  957.839   38.922  942.929   27.950 14.91010 47.91787 
1 1 1  -11    3   16 o  178.822   12.810  553.918   76.962  605.349  133.727  528.447   94.109  184.844   20.469  172.800   15.409 12.04477 25.62033 
1 1 1  -11    3   18 o  460.268   16.372  3802.89  249.407  3625.52  432.174  3891.47  305.393  451.818   27.063  468.718   18.434 -16.89963 32.74489 
1 1 1  -11    3   20 o  705.794   22.874  8875.64  570.551  9011.63  807.100  8739.80  806.662  711.241   32.106  700.347   32.588 10.89331 45.74706 
1 1 1  -11    3   22 o  483.494   18.819  4160.09  321.432  4312.27  454.865  4008.30  454.283  492.385   26.137  474.602   27.082 17.78320 37.63730 
1 1 1  -11    3   24 o  646.136   18.401  7328.57  398.680  7778.41  690.904  7104.01  488.150  660.027   29.617  632.246   21.845 27.78113 36.80135 
1 1 1  -11    3   26 o  867.316   26.252 13444.75  804.758   0.0000   0.0000 13444.75  804.758  ?   ?   867.316   26.252      ?      ? 
1 1 1  -11    3   28 o  352.689   14.531  2193.96  171.563  2304.29  297.589  2139.03  209.968  358.705   23.473  346.673   17.136 12.03146 29.06211 
1 1 1  -11    3   30 o  737.825   21.049  9964.32  514.588  9689.03  891.623 10101.82  630.122  726.420   34.727  749.229   23.795 -22.80939 42.09764 
1 1 1  -11    3   32 o  415.084   18.248  3125.78  267.535  2999.48  378.556  3251.82  378.148  406.478   26.350  423.690   25.252 -17.21204 36.49593 
1 1 1  -11    3   34 o  232.857   16.169  983.814  132.511  883.500  187.635  1083.62  187.164  220.692   24.055  245.021   21.612 -24.32983 32.33785 
1 1 1  -11    3   36 o  526.335   19.947  5099.34  370.354  5455.61  524.138  4744.09  523.382  545.443   27.188  507.226   29.194 38.21713 39.89341 
1 1 1  -11    3   38 o  362.961   17.623  2411.09  225.759  2269.01  319.421  2552.91  319.121  351.890   25.682  374.033   24.139 -22.14236 35.24623 
1 1 1  -11    3   40 o  847.727   22.350 13323.44  634.200 14229.96  1099.29 12871.20  776.442  860.945   36.126  834.510   26.324 26.43475 44.69950 
1 1 1  -11    3   42 o  183.732   15.089  607.461   97.984   0.0000   0.0000  607.461   97.984  ?   ?   183.732   15.089      ?      ? 
1 1 1  -11    3   44 o  321.342   14.054  1885.97  150.379  1939.18  261.551  1859.69  183.795  322.617   22.938  320.067   16.247 2.549927 28.10871 
1 1 1  -11    3   46 o   66.377   14.306   81.063   34.559   88.271   62.925   77.950   41.354   68.794   22.484   63.960   17.696 4.833645 28.61236 
1 1 1  -11    3   48 f  134.370   16.077  336.992   76.354   0.0000   0.0000  336.992   76.354  ?   ?   134.370   16.077      ?      ? 
1 1 1  -11    4    1 o  453.944   13.177  3649.99  211.324  3522.73  298.860  3777.24  298.855  446.013   18.958  461.875   18.307 -15.86261 26.35452 
1 1 1  -11    4    3 o  777.693   17.337 10725.49  476.543 10774.46  673.945 10676.53  673.923  779.474   24.463  775.912   24.574 3.562744 34.67427 
1 1 1  -11    4    5 o  557.351   14.090  5502.92  277.513  5622.11  392.493  5383.75  392.433  563.401   19.710  551.302   20.140 12.09973 28.17998 
1 1 1  -11    4    7 o  448.337   13.037  3559.11  206.589  3551.32  292.182  3566.90  292.139  447.845   18.459  448.829   18.416 -0.9831238 26.07430 
1 1 1  -11    4    9 o  934.516   23.730 15460.17  740.303 15746.57  1282.51 15317.05  906.587  940.030   38.601  929.002   27.610 11.02814 47.45921 
1 1 1  -11    4   11 o  1337.73   32.270 32171.03  1433.28 31466.74  2482.76 32523.07  1755.32  1323.98   53.056  1351.49   36.747 -27.51331 64.53907 
1 1 1  -11    4   13 o  489.456   15.747  4161.37  259.063  4514.46  449.030  3985.21  317.173  504.517   25.181  474.394   18.916 30.12372 31.49491 
1 1 1  -11    4   15 o  821.560   21.404 11869.10  588.658 12380.67  1019.90 11613.55  720.845  834.006   34.599  809.113   25.206 24.89325 42.80754 
1 1 1  -11    4   17 o  600.927   17.806  6354.16  357.870  6576.70  620.148  6243.05  438.193  608.353   28.842  593.501   20.889 14.85193 35.61184 
1 1 1  -11    4   19 o  941.979   27.662 15866.56  920.642 16344.11  1302.27 15389.43  1301.70  956.313   38.528  927.644   39.702 28.66956 55.32323 
1 1 1  -11    4   21 o  880.738   22.974 13852.84  673.442 13791.90  1166.74 13883.28  824.688  877.886   37.602  883.590   26.407 -5.703979 45.94853 
1 1 1  -11    4   23 o  338.069   13.435  1933.85  153.839  2355.46  267.161  1724.71  188.165  364.230   20.753  311.907   17.068 52.32349 26.87025 
1 1 1  -11    4   25 o  594.011   18.003  6278.46  356.542  6348.28  617.977  6243.62  436.521  595.544   29.359  592.478   20.846 3.065308 36.00661 
1 1 1  -11    4   27 o  224.348   13.106  874.741   98.814  964.584  171.821  830.342  120.788  232.522   20.907  216.174   15.809 16.34859 26.21107 
1 1 1  -11    4   29 f  632.941   19.243  7308.29  403.038  7025.01  698.452  7449.71  493.488  621.131   31.815  644.750   21.655 -23.61871 38.48575 
1 1 1  -11    4   31 o  310.544   13.572  1668.19  142.236  1925.41  247.073  1540.69  173.952  327.339   21.355  293.750   16.755 33.58945 27.14348 
1 1 1  -11    4   33 o  536.352   16.684  5101.35  300.555  5549.69  521.235  4878.02  367.871  551.844   26.724  520.859   19.983 30.98450 33.36865 
1 1 1  -11    4   35 o  103.009   15.841  199.028   56.042  212.618   80.299  186.123   78.250  106.557   22.048   99.462   22.753 7.094727 31.68288 
1 1 1  -11    4   37 o  191.062   15.970  719.201   95.658  524.298  166.581  815.090  116.843  168.736   27.932  213.388   15.492 -44.65141 31.94040 
1 1 1  -11    4   39 o  269.437   14.285  1326.73  127.210  1283.04  221.222  1348.31  155.488  264.859   23.632  274.015   16.055 -9.156158 28.56934 
1 1 1  -11    4   41 o  294.339   16.079  1560.19  167.273   0.0000   0.0000  1560.19  167.273  ?   ?   294.339   16.079      ?      ? 
1 1 1  -11    4   43 o  326.667   16.364  2117.45  169.023  1619.32  293.505  2364.61  206.747  291.918   28.447  361.415   16.185 -69.49762 32.72889 
1 1 1  -11    4   45 o  256.124   12.917  1196.64  110.062  1241.40  192.172  1174.79  134.263  257.951   21.078  254.298   14.938 3.653229 25.83472 
1 1 1  -11    4   47 o  370.104   26.312  2733.42  344.194   0.0000   0.0000  2733.42  344.194  ?   ?   370.104   26.312      ?      ? 
1 1 1  -11    5    2 o  1111.11   22.083 21937.48  867.202 22174.21  1226.43 21700.77  1226.38  1117.14   31.061  1105.08   31.399 12.05542 44.16637 
1 1 1  -11    5    4 o  323.790   13.862  1825.46  150.646  1955.43  261.211  1760.69  184.402  332.179   22.248  315.401   16.542 16.77838 27.72407 
1 1 1  -11    5    6 o  460.849   14.608  3617.58  227.716  4255.10  394.871  3299.92  278.734  489.980   22.801  431.719   18.267 58.26129 29.21605 
1 1 1  -11    5    8 o  563.906   16.504  5487.85  313.610  6122.97  543.568  5170.95  383.958  587.495   26.178  540.318   20.105 47.17761 33.00749 
1 1 1  -11    5   10 o  1577.99   36.534 44481.34  1923.40 45223.34  3331.69 44110.43  2355.58  1584.01   59.509  1571.97   42.397 12.04272 73.06758 
1 1 1  -11    5   12 o  1356.91   32.789 33168.52  1475.99 32255.52  2556.75 33624.88  1807.63  1339.88   53.989  1373.95   37.224 -34.07153 65.57735 
1 1 1  -11    5   14 o  408.352   15.729  2984.10  212.824  2872.84  368.971  3039.57  260.533  402.374   25.944  414.330   17.791 -11.95572 31.45823 
1 1 1  -11    5   16 o  676.444   18.939  8063.35  428.279  8314.55  742.157  7937.92  524.408  683.777   30.709  669.111   22.174 14.66595 37.87773 
1 1 1  -11    5   18 o  261.237   22.546  1210.62  208.177   0.0000   0.0000  1210.62  208.177  ?   ?   261.237   22.546      ?      ? 
1 1 1  -11    5   20 o  817.375   20.887 11656.64  573.863 12660.10  994.452 11155.65  702.662  842.372   33.401  792.378   25.090 49.99426 41.77459 
1 1 1  -11    5   22 o  902.740   38.347 14620.69  1223.52 14620.69  1223.52   0.0000   0.0000  902.740   38.347  ?   ?       ?      ? 
1 1 1  -11    5   24 f  200.740   12.111  672.734   82.295  865.555  143.860  578.941  100.334  220.791   18.435  180.688   15.711 40.10272 24.22125 
1 1 1  -11    5   26 o   79.214   15.571  115.407   46.122   84.177   66.608  144.174   63.928   70.234   23.141   88.194   20.839 -17.95982 31.14135 
1 1 1  -11    5   28 o  255.720   22.618  1172.17  204.427   0.0000   0.0000  1172.17  204.427  ?   ?   255.720   22.618      ?      ? 
1 1 1  -11    5   30 o  133.505   14.431  335.187   60.696  295.932  106.325  354.163   73.924  125.987   24.760  141.023   14.831 -15.03635 28.86251 
1 1 1  -11    5   32 o  831.002   22.676 12718.30  626.449 12753.94  1085.64 12700.51  767.030  825.962   37.188  836.041   25.958 -10.07837 45.35144 
1 1 1  -11    5   34 o  250.975   12.793  1077.93  108.563  1311.80  189.222  963.174  132.549  269.932   19.833  232.017   16.164 37.91510 25.58557 
1 1 1  -11    5   36 o  563.169   16.531  5762.29  283.671  5769.57  568.309  5759.87  327.369  559.391   28.744  566.947   16.337 -7.556213 33.06244 
1 1 1  -11    5   38 o  468.866   15.189  3865.27  239.959  4411.24  417.163  3595.29  293.348  491.251   24.026  446.481   18.589 44.76947 30.37777 
1 1 1  -11    5   40 o  434.566   17.881  3490.20  273.622  3845.32  388.711  3141.40  385.233  457.395   24.044  411.737   26.472 45.65759 35.76159 
1 1 1  -11    5   42 o  404.376   26.193  3059.47  374.354  3059.47  374.354   0.0000   0.0000  404.376   26.193  ?   ?       ?      ? 
1 1 1  -11    5   44 o   70.863   23.564   91.197   69.003   91.197   69.003   0.0000   0.0000   70.863   23.564  ?   ?       ?      ? 
1 1 1  -11    6    1 o  462.102   18.658  3802.88  302.963  3331.18  428.397  4274.82  428.512  433.215   27.978  490.990   24.693 -57.77542 37.31655 
1 1 1  -11    6    3 o  263.903   13.366  1212.37  118.321  1298.74  205.402  1169.47  144.750  270.741   21.465  257.064   15.932 13.67776 26.73114 
1 1 1  -11    6    5 o  864.419   22.475 13270.11  647.328 13309.01  1121.51 13250.68  792.703  864.557   36.702  864.282   25.950 0.2749023 44.94921 
1 1 1  -11    6    7 o  714.612   23.119  9081.69  583.648  8760.35  825.447  9402.97  825.358  701.890   33.274  727.333   32.106 -25.44299 46.23785 
1 1 1  -11    6    9 o  1255.04   28.218 27389.14  1192.79 30366.86  2066.37 25901.14  1460.72  1303.44   44.853  1206.63   34.251 96.81140 56.43538 
1 1 1  -11    6   11 o  1164.23   27.674 23959.38  1077.56 24809.67  1866.72 23534.46  1319.62  1177.98   44.835  1150.48   32.452 27.50159 55.34758 
1 1 1  -11    6   13 o  440.717   15.410  3407.92  227.216  3549.17  394.087  3337.59  278.092  447.291   24.928  434.143   18.123 13.14786 30.81945 
1 1 1  -11    6   15 o  859.065   23.040 13290.54  655.047 12682.33  1134.88 13594.41  802.159  843.035   38.088  875.094   25.935 -32.05902 46.07911 
1 1 1  -11    6   17 o  1292.58   50.821 30098.54  2321.81   0.0000   0.0000 30098.54  2321.81  ?   ?   1292.58   50.821      ?      ? 
1 1 1  -11    6   19 o  863.505   26.136 13331.12  797.611 13537.76  1128.26 13124.68  1127.72  870.270   36.681  856.740   37.242 13.52997 52.27269 
1 1 1  -11    6   21 o  621.530   21.307  6889.70  468.031  6999.34  662.313  6780.33  661.479  626.511   29.910  616.549   30.355 9.962280 42.61475 
1 1 1  -11    6   23 o  920.121   27.643 15265.55  898.953 15144.60  1271.61 15386.39  1271.01  916.399   39.260  923.843   38.925 -7.443604 55.28575 
1 1 1  -11    6   25 o  538.864   20.194  5212.06  384.347  4999.50  543.956  5424.00  543.143  527.713   29.164  550.014   27.940 -22.30060 40.38754 
1 1 1  -11    6   27 o  180.584   15.877  585.416  101.052  542.002  144.071  627.458  141.775  173.870   23.444  187.298   21.416 -13.42726 31.75351 
1 1 1  -11    6   29 o   84.289   16.074  132.837   49.808  100.673   72.417  161.712   68.615   75.440   24.074   93.139   21.306 -17.69881 32.14828 
1 1 1  -11    6   31 o  562.691   29.256  5788.20  581.832   0.0000   0.0000  5788.20  581.832  ?   ?   562.691   29.256      ?      ? 
1 1 1  -11    6   33 o  121.471   15.412  263.624   66.169   0.0000   0.0000  263.624   66.169  ?   ?   121.471   15.412      ?      ? 
1 1 1  -11    6   35 o  400.620   18.308  2934.91  259.115  2848.60  367.650  3020.10  365.250  394.519   26.366  406.721   25.408 -12.20215 36.61621 
1 1 1  -11    6   37 o  163.883   15.492  486.824   89.668  503.039  129.837  472.038  123.986  166.457   22.069  161.308   21.747 5.148575 30.98306 
1 1 1  -11    6   41 o  344.219   24.987  2198.09  304.002  2198.09  304.002   0.0000   0.0000  344.219   24.987  ?   ?       ?      ? 
1 1 1  -11    6   43 o  214.272   18.008  878.474  133.470  703.355  192.687  1039.99  185.055  191.772   28.428  236.771   22.113 -44.99876 36.01594 
1 1 1  -11    6   45 o  128.368   15.382  300.931   69.788   0.0000   0.0000  300.931   69.788  ?   ?   128.368   15.382      ?      ? 
1 1 1  -11    6   47 o  152.428   15.906  432.416   85.696   0.0000   0.0000  432.416   85.696  ?   ?   152.428   15.906      ?      ? 
1 1 1  -11    7    2 o  1183.20   30.799 25727.39  1193.88 22999.96  2068.11 27090.62  1462.11  1132.22   51.680  1234.17   33.519 -101.9491 61.59784 
1 1 1  -11    7    4 o  661.715   20.341  8004.34  440.998  7137.56  764.047  8437.36  540.033  633.425   34.128  690.006   22.144 -56.58124 40.68202 
1 1 1  -11    7    6 o  750.958   22.047 10355.85  541.147  9102.78  937.495 10981.99  662.697  714.887   37.103  787.029   23.823 -72.14252 44.09311 
1 1 1  -11    7    8 f  1413.90   32.305 35387.09  1528.73 36913.64  2648.22 34624.14  1872.18  1433.92   52.253  1393.89   38.001 40.03528 64.60997 
1 1 1  -11    7   10 o  1045.48   30.112 19526.96  1112.68 19409.88  1573.68 19644.00  1573.44  1042.31   42.717  1048.65   42.452 -6.337402 60.22385 
1 1 1  -11    7   12 o  442.201   25.855  3470.38  404.104   0.0000   0.0000  3470.38  404.104  ?   ?   442.201   25.855      ?      ? 
1 1 1  -11    7   14 f  414.379   17.912  3047.96  262.333  3028.88  371.381  3066.97  370.610  413.078   25.437  415.682   25.225 -2.604187 35.82404 
1 1 1  -11    7   16 o  878.084   37.456 13772.91  1162.47   0.0000   0.0000 13772.91  1162.47  ?   ?   878.084   37.456      ?      ? 
1 1 1  -11    7   18 o  767.764   34.253 10523.24  929.507 10523.24  929.507   0.0000   0.0000  767.764   34.253  ?   ?       ?      ? 
1 1 1  -11    7   20 o  1146.46   32.770 23736.64  1327.59 23167.82  1877.70 24305.21  1877.29  1132.43   46.913  1160.50   45.768 -28.07446 65.54084 
1 1 1  -11    7   22 f  1210.65   34.365 26706.00  1470.43 26887.47  2079.81 26524.63  2079.19  1214.89   48.436  1206.42   48.761 8.468262 68.72933 
1 1 1  -11    7   24 o  259.667   22.665  1202.63  208.017   0.0000   0.0000  1202.63  208.017  ?   ?   259.667   22.665      ?      ? 
1 1 1  -11    7   26 o  317.448   16.554  1805.88  185.631  1882.70  263.465  1730.14  261.589  324.231   22.990  310.665   23.824 13.56552 33.10778 
1 1 1  -11    7   28 o  217.166   16.483  852.560  125.675  747.353  178.834  955.213  176.650  203.602   24.851  230.729   21.662 -27.12737 32.96675 
1 1 1  -11    7   30 o  362.975   18.140  2396.69  231.499  2127.30  328.230  2663.33  326.553  342.061   27.149  383.890   24.067 -41.82956 36.28090 
1 1 1  -11    7   32 o  681.932   22.914  8610.37  551.968  8938.51  781.392  8283.55  779.810  695.486   31.788  668.378   33.010 27.10876 45.82717 
1 1 1  -11    7   34 o  301.103   17.168  1652.67  182.277  1536.74  259.065  1766.33  256.510  290.272   25.251  311.934   23.266 -21.66202 34.33556 
1 1 1  -11    7   36 o  205.032   22.180  762.874  160.730   0.0000   0.0000  762.874  160.730  ?   ?   205.032   22.180      ?      ? 
1 1 1  -11    7   38 o  257.750   23.605  1215.71  215.039  1215.71  215.039   0.0000   0.0000  257.750   23.605  ?   ?       ?      ? 
1 1 1  -11    7   40 o  425.977   14.792  3244.72  210.693  3521.92  368.317  3109.89  256.873  437.205   23.835  414.748   17.523 22.45734 29.58334 
1 1 1  -11    7   42 o  148.400   21.770  406.623  114.183   0.0000   0.0000  406.623  114.183  ?   ?   148.400   21.770      ?      ? 
1 1 1  -11    7   44 o  105.492   17.272  242.544   57.341  150.867  119.909  269.724   65.290   89.210   31.036  121.775   15.169 -32.56490 34.54484 
1 1 1  -11    7   46 o   83.005   16.414  131.779   46.448   0.0000   0.0000  131.779   46.448  ?   ?    83.005   16.414      ?      ? 
1 1 1  -11    7   48 o   62.296   17.332   76.451   39.556   0.0000   0.0000   76.451   39.556  ?   ?    62.296   17.332      ?      ? 
1 1 1  -11    8    1 o  640.302   20.768  7610.85  431.458  6409.73  747.589  8210.72  528.326  599.979   35.254  680.626   21.962 -80.64624 41.53513 
1 1 1  -11    8    3 o  1016.68   29.662 18493.13  1062.89 16915.52  1503.20 20070.56  1503.11  972.778   43.720  1060.58   40.098 -87.80188 59.32415 
1 1 1  -11    8    5 o  285.728   22.950  1447.35  231.773   0.0000   0.0000  1447.35  231.773  ?   ?   285.728   22.950      ?      ? 
1 1 1  -11    8    7 o  1044.81   30.137 19508.73  1112.70 19079.42  1573.68 19937.95  1573.51  1033.18   43.094  1056.43   42.141 -23.24976 60.27433 
1 1 1  -11    8    9 o  845.221   25.699 12732.46  767.577 13009.26  1085.68 12455.84  1085.35  854.483   35.948  835.960   36.734 18.52319 51.39703 
1 1 1  -11    8   11 o  356.575   17.103  2255.79  215.551  2252.67  305.097  2258.91  304.574  356.326   24.225  356.824   24.150 -0.4978943 34.20663 
1 1 1  -11    8   13 o  564.046   28.704  5655.50  572.230   0.0000   0.0000  5655.50  572.230  ?   ?   564.046   28.704      ?      ? 
1 1 1  -11    8   15 o  1405.52   38.659 35738.61  1920.36 36218.74  2716.02 35258.63  2715.58  1415.18   54.300  1395.86   55.043 19.32166 77.31898 
1 1 1  -11    8   17 o  415.395   25.447  3067.40  373.609  3067.40  373.609   0.0000   0.0000  415.395   25.447  ?   ?       ?      ? 
1 1 1  -11    8   19 o  373.355   17.420  2479.26  229.855  2442.58  325.530  2515.74  324.600  370.579   24.854  376.130   24.417 -5.551422 34.84091 
1 1 1  -11    8   21 o  448.076   26.168  3580.48  414.428  3580.48  414.428   0.0000   0.0000  448.076   26.168  ?   ?       ?      ? 
1 1 1  -11    8   23 o  567.240   20.572  5773.59  412.411  5694.67  583.730  5852.25  582.745  563.302   29.319  571.177   28.866 -7.874634 41.14437 
1 1 1  -11    8   25 o  311.443   16.790  1739.15  184.709  1676.69  261.741  1801.12  260.699  305.782   24.218  317.104   23.260 -11.32150 33.57914 
1 1 1  -11    8   27 o  423.226   18.242  3233.20  272.880  3232.42  386.587  3233.97  385.237  423.158   25.848  423.294   25.749 -0.1357117 36.48479 
1 1 1  -11    8   29 o  504.440   19.468  4627.97  346.991  4769.00  491.525  4487.86  489.916  512.300   27.146  496.579   27.913 15.72064 38.93649 
1 1 1  -11    8   31 o  259.444   22.826  1217.07  209.312   0.0000   0.0000  1217.07  209.312  ?   ?   259.444   22.826      ?      ? 
1 1 1  -11    8   33 o  393.203   17.760  2817.37  246.764  2899.32  350.455  2736.80  347.518  398.998   24.851  387.407   25.380 11.59094 35.52043 
1 1 1  -11    8   35 f  462.523   14.040  3646.39  219.780  4621.03  383.844  3171.00  268.074  505.117   21.500  419.930   18.062 85.18723 28.07990 
1 1 1  -11    8   37 o  448.914   15.889  3635.62  237.582  3786.11  414.635  3562.06  289.889  453.543   25.866  444.284   18.461 9.258667 31.77805 
1 1 1  -11    8   39 o  283.460   15.765  1445.35  157.949   0.0000   0.0000  1445.35  157.949  ?   ?   283.460   15.765      ?      ? 
1 1 1  -11    8   41 o  211.641   13.691  795.144   94.765  879.671  173.536  759.227  113.120  218.229   22.499  205.053   15.608 13.17622 27.38254 
1 1 1  -11    8   43 o  137.095   15.473  331.228   70.779  488.075  117.856  242.746   88.520  162.226   20.555  111.964   23.134 50.26180 30.94630 
1 1 1  -11    8   45 o  161.800   22.274  501.378  127.380   0.0000   0.0000  501.378  127.380  ?   ?   161.800   22.274      ?      ? 
1 1 1  -11    8   47 o  104.971   23.310  226.965   84.231   0.0000   0.0000  226.965   84.231  ?   ?   104.971   23.310      ?      ? 
1 1 1  -11    9    2 o  642.879   21.783  7355.90  494.353  6938.27  699.137  7773.49  699.106  624.500   31.674  661.258   29.912 -36.75793 43.56635 
1 1 1  -11    9    4 o  1034.53   29.914 19138.63  1093.75 18965.36  1546.96 19311.83  1546.63  1029.79   42.502  1039.27   42.105 -9.478271 59.82730 
1 1 1  -11    9    6 o  1067.43   30.791 20402.15  1160.73 19459.61  1641.65 21344.38  1641.38  1042.45   44.556  1092.41   42.511 -49.95959 61.58286 
1 1 1  -11    9    8 o  864.125   26.008 13323.73  793.823 13880.74  1122.93 12767.29  1122.34  882.351   36.007  845.898   37.539 36.45233 52.01665 
1 1 1  -11    9   10 o  594.294   20.848  6280.19  437.908  6270.61  619.476  6289.76  619.116  593.837   29.515  594.751   29.452 -0.9136963 41.69579 
1 1 1  -11    9   12 o  162.455   15.468  468.183   88.802  461.891  125.973  474.397  125.201  161.364   22.088  163.546   21.659 -2.181839 30.93537 
1 1 1  -11    9   14 o  519.509   19.615  4801.07  360.038  4660.75  509.345  4941.19  508.996  511.871   28.153  527.147   27.319 -15.27530 39.22928 
1 1 1  -11    9   18 o  130.035   16.219  308.731   71.780  384.482  102.504  235.843  100.548  147.184   19.704  112.885   25.768 34.29841 32.43866 
1 1 1  -11    9   20 o  531.154   19.820  5040.53  372.089  5058.78  526.801  5022.37  525.629  532.117   28.010  530.191   28.050 1.926331 39.64040 
1 1 1  -11    9   22 o  683.015   22.731  8403.81  548.749  8392.33  776.476  8415.27  775.621  682.532   32.187  683.497   32.106 -0.9645996 45.46264 
1 1 1  -11    9   24 o  118.574   15.370  258.755   61.798  358.099   89.759  169.225   85.210  141.775   17.913   95.373   24.981 46.40169 30.73924 
1 1 1  -11    9   26 o  643.943   31.396  7560.05  714.554  7560.05  714.554   0.0000   0.0000  643.943   31.396  ?   ?       ?      ? 
1 1 1  -11    9   28 o  356.314   16.839  2297.93  210.997  2570.03  299.355  2029.30  297.445  377.758   22.421  334.870   25.131 42.88797 33.67882 
1 1 1  -11    9   30 o  205.134   12.647  733.046   86.757  819.000  152.763  692.125  105.404  213.359   20.258  196.910   15.145 16.44940 25.29317 
1 1 1  -11    9   32 o  176.642   13.936  568.920   80.455  542.764  142.442  581.174   97.496  172.968   23.300  180.316   15.298 -7.348267 27.87300 
1 1 1  -11    9   34 o  132.633   11.279  267.036   48.040  446.337   95.825  206.843   55.521  157.687   17.194  107.578   14.602 50.10880 22.55743 
1 1 1  -11    9   36 o  378.282   13.317  2452.28  169.706  3021.18  298.818  2181.44  206.184  408.181   20.713  348.382   16.745 59.79840 26.63450 
1 1 1  -11    9   38 o  212.318   15.316  809.706  114.939   0.0000   0.0000  809.706  114.939  ?   ?   212.318   15.316      ?      ? 
1 1 1  -11    9   40 o  167.373   14.860  521.771   78.051  495.105  147.183  532.205   92.062  162.888   25.565  171.857   15.156 -8.969116 29.72008 
1 1 1  -11    9   42 o   53.239   13.899   43.189   26.867   19.732   77.062   46.435   28.666   56.189   23.405   50.290   14.996 5.899246 27.79699 
1 1 1  -11    9   44 f  207.581   22.775  822.399  167.093   0.0000   0.0000  822.399  167.093  ?   ?   207.581   22.775      ?      ? 
1 1 1  -11    9   46 o  130.372   23.552  344.542  104.534   0.0000   0.0000  344.542  104.534  ?   ?   130.372   23.552      ?      ? 
1 1 1  -11   10    1 o  302.279   17.018  1673.79  172.890  1082.40  244.134  2268.77  244.875  246.758   27.992  357.799   19.364 -111.0406 34.03687 
1 1 1  -11   10    3 o  209.154   15.759  776.948  116.282  723.353  164.642  830.290  164.253  201.921   23.070  216.388   21.476 -14.46758 31.51883 
1 1 1  -11   10    5 o  430.558   18.338  3313.45  276.326  2781.09  390.697  3846.27  390.872  395.560   27.945  465.555   23.754 -69.99484 36.67701 
1 1 1  -11   10    7 o  430.780   18.251  3297.61  277.701  3162.56  393.013  3432.28  392.445  421.921   26.355  439.639   25.256 -17.71771 36.50238 
1 1 1  -11   10    9 o  1457.36   40.022 38479.11  2061.51 38383.09  2915.62 38575.12  2915.22  1455.49   56.676  1459.22   56.524 -3.733032 80.04445 
1 1 1  -11   10   11 o  524.218   27.765  4887.19  514.442   0.0000   0.0000  4887.19  514.442  ?   ?   524.218   27.765      ?      ? 
1 1 1  -11   10   13 o  592.195   20.987  6256.46  438.384  5804.23  620.092  6708.33  619.846  570.596   30.747  613.793   28.572 -43.19672 41.97333 
1 1 1  -11   10   15 o  492.628   27.057  4320.35  471.114   0.0000   0.0000  4320.35  471.114  ?   ?   492.628   27.057      ?      ? 
1 1 1  -11   10   17 o  776.936   24.497 10822.74  672.685 10832.74  951.711 10812.76  950.928  777.295   34.642  776.577   34.645 0.7185059 48.99324 
1 1 1  -11   10   19 o  949.913   28.043 16340.33  940.088 17369.05  1329.94 15313.00  1329.03  980.525   38.375  919.302   40.903 61.22382 56.08689 
1 1 1  -11   10   21 o  700.505   22.764  8862.06  562.465  9512.58  796.067  8213.56  794.826  726.727   30.993  674.282   33.351 52.44446 45.52842 
1 1 1  -11   10   23 o  443.056   18.308  3534.42  286.090  3802.40  405.232  3268.13  403.956  460.103   24.919  426.010   26.828 34.09332 36.61572 
1 1 1  -11   10   25 o  814.845   25.601 12243.82  736.286 12964.07  1041.73 11524.86  1040.80  839.816   35.096  789.875   37.281 49.94128 51.20135 
1 1 1  -11   10   27 f  404.122   15.573  2915.82  210.011  3012.32  364.925  2868.03  256.797  407.901   25.312  400.343   18.148 7.558502 31.14589 
1 1 1  -11   10   29 o  185.232   10.048  548.750   62.244  846.771  111.800  414.882   74.930  217.889   14.517  152.575   13.895 65.31465 20.09525 
1 1 1  -11   10   31 o  225.715   12.170  871.610   92.231  1047.22  163.082  789.026  111.834  241.288   19.123  210.142   15.057 31.14659 24.33912 
1 1 1  -11   10   33 o  284.166   12.094  1338.32  115.931  1849.46  205.029  1098.10  140.558  320.741   18.086  247.591   16.062 73.14998 24.18861 
1 1 1  -11   10   35 o  542.453   15.300  5125.08  280.390  6100.36  487.984  4644.39  342.589  577.761   23.897  507.144   19.113 70.61713 30.59977 
1 1 1  -11   10   37 f  176.926   10.445  494.989   60.855  768.055  114.492  387.465   71.845  206.741   15.669  147.112   13.817 59.62935 20.89074 
1 1 1  -11   10   39 o  234.092   13.125  967.520  101.927  1079.83  182.148  916.319  122.985  242.692   21.235  225.491   15.431 17.20135 26.24959 
1 1 1  -11   10   41 o  116.372   12.321  215.594   46.498  333.922   90.731  173.449   54.149  134.924   19.026   97.820   15.662 37.10442 24.64292 
1 1 1  -11   10   43 o  120.864   15.613  267.215   66.696   0.0000   0.0000  267.215   66.696  ?   ?   120.864   15.613      ?      ? 
1 1 1  -11   10   45 o  210.577   23.205  872.388  172.705   0.0000   0.0000  872.388  172.705  ?   ?   210.577   23.205      ?      ? 
1 1 1  -11   11    2 o  807.167   24.985 11636.74  712.532 11993.00  1007.83 11280.70  1007.52  819.649   34.789  794.684   35.871 24.96515 49.96947 
1 1 1  -11   11    4 o  463.572   26.395  3819.71  432.480  3819.71  432.480   0.0000   0.0000  463.572   26.395  ?   ?       ?      ? 
1 1 1  -11   11    6 o  378.993   17.420  2552.09  233.234  2646.91  330.106  2457.57  329.580  386.059   24.192  371.927   25.072 14.13181 34.84058 
1 1 1  -11   11    8 o  587.239   29.356  6140.87  609.307   0.0000   0.0000  6140.87  609.307  ?   ?   587.239   29.356      ?      ? 
1 1 1  -11   11   10 o  658.498   22.108  7734.73  514.517  7633.98  727.811  7835.38  727.464  654.169   31.478  662.826   31.052 -8.656494 44.21657 
1 1 1  -11   11   12 o  426.650   25.622  3238.04  386.369   0.0000   0.0000  3238.04  386.369  ?   ?   426.650   25.622      ?      ? 
1 1 1  -11   11   14 o  835.136   36.334 12511.50  1072.48   0.0000   0.0000 12511.50  1072.48  ?   ?   835.136   36.334      ?      ? 
1 1 1  -11   11   16 o  1428.05   39.751 37586.99  2005.62 38731.84  2836.74 36442.73  2836.01  1450.72   55.324  1405.38   57.094 45.33679 79.50188 
1 1 1  -11   11   18 o  525.824   19.428  4957.27  359.922  5418.26  509.831  4499.25  508.185  550.538   26.201  501.110   28.693 49.42780 38.85559 
1 1 1  -11   11   20 o  413.863   18.137  3071.39  265.223  2993.25  375.688  3149.04  374.479  408.528   26.019  419.198   25.275 -10.66971 36.27383 
1 1 1  -11   11   22 o  354.298   14.390  2220.77  170.222  2314.87  296.283  2174.40  207.973  359.205   23.337  349.392   16.841 9.813690 28.77911 
1 1 1  -11   11   24 o  676.417   19.209  8166.48  435.152  8660.91  754.848  7920.38  532.547  689.070   30.994  663.765   22.700 25.30548 38.41751 
1 1 1  -11   11   26 o  202.671   10.614  670.747   72.336  951.126  128.991  542.123   87.367  230.874   15.808  174.468   14.168 56.40579 21.22766 
1 1 1  -11   11   28 o   99.880   9.3768  149.031   30.251  265.104   59.037  107.705   35.227  121.974   13.694   77.786   12.813 44.18841 18.75369 
1 1 1  -11   11   30 o  715.571   18.910  9059.52  456.467 10395.82  792.033  8394.92  558.560  750.820   29.846  680.321   23.229 70.49878 37.82047 
1 1 1  -11   11   32 o  238.319   14.533  1034.14  113.810  1003.35  200.341  1048.81  138.292  234.689   24.152  241.950   16.171 -7.260895 29.06624 
1 1 1  -11   11   34 o  453.510   13.981  3510.98  214.732  4462.71  374.509  3044.85  262.094  495.871   21.368  411.150   18.036 84.72052 27.96254 
1 1 1  -11   11   36 o  100.465   14.782  176.398   46.535  223.969   89.436  158.739   54.492  108.509   23.960   92.420   17.318 16.08932 29.56363 
1 1 1  -11   11   38 o  373.484   12.910  2374.24  163.236  3103.77  285.500  2019.93  198.965  412.712   19.572  334.255   16.841 78.45712 25.82056 
1 1 1  -11   11   40 o  309.384   14.134  1728.81  145.992  1857.44  255.252  1666.27  177.977  315.927   22.859  302.842   16.628 13.08456 28.26700 
1 1 1  -11   11   42 o  268.117   12.533  1238.68  113.658  1639.49  199.346  1045.62  138.348  297.344   18.968  238.890   16.385 58.45428 25.06539 
1 1 1  -11   11   44 o  119.706   23.343  287.511   95.215   0.0000   0.0000  287.511   95.215  ?   ?   119.706   23.343      ?      ? 
1 1 1  -11   12    1 o  484.907   19.038  4186.40  326.189  4308.44  461.286  4064.35  461.315  492.028   26.525  477.786   27.318 14.24222 38.07688 
1 1 1  -11   12    3 o  565.799   20.307  5712.57  405.082  6179.92  573.113  5246.01  572.632  589.148   27.523  542.451   29.867 46.69641 40.61485 
1 1 1  -11   12    5 o  266.578   16.122  1262.40  151.857  1303.26  215.417  1222.04  214.104  270.884   22.500  262.271   23.097 8.612305 32.24448 
1 1 1  -11   12    7 o  828.216   25.596 12297.60  747.786 11414.37  1057.52 13180.85  1057.53  798.043   37.492  858.389   34.857 -60.34546 51.19270 
1 1 1  -11   12    9 o  334.985   16.957  1995.64  200.721  1950.38  284.076  2040.76  283.650  331.167   24.270  338.804   23.687 -7.636597 33.91329 
1 1 1  -11   12   11 o  314.855   16.701  1769.73  184.793  1551.83  261.107  1988.40  261.567  295.241   25.022  334.468   22.126 -39.22748 33.40168 
1 1 1  -11   12   13 o  915.579   38.903 15113.13  1258.93   0.0000   0.0000 15113.13  1258.93  ?   ?   915.579   38.903      ?      ? 
1 1 1  -11   12   15 o  542.856   28.408  5274.30  545.065  5274.30  545.065   0.0000   0.0000  542.856   28.408  ?   ?       ?      ? 
1 1 1  -11   12   17 o  393.679   15.267  2794.69  198.637  2674.73  345.272  2854.04  242.852  386.638   25.266  400.720   17.147 -14.08267 30.53489 
1 1 1  -11   12   19 o  827.735   26.036 12308.94  761.698   0.0000   0.0000 12308.94  761.698  ?   ?   827.735   26.036      ?      ? 
1 1 1  -11   12   21 o  444.550   17.113  3523.07  268.878   0.0000   0.0000  3523.07  268.878  ?   ?   444.550   17.113      ?      ? 
1 1 1  -11   12   23 o  258.768   15.679  1236.03  132.691  1113.50  230.872  1296.47  162.147  248.038   26.335  269.498   17.023 -21.46062 31.35776 
1 1 1  -11   12   25 o  286.231   12.522  1421.95  120.580  1608.65  210.191  1330.37  147.213  299.355   19.866  273.107   15.251 26.24847 25.04480 
1 1 1  -11   12   27 o  300.292   15.295  1636.78  160.158  1961.46  228.430  1322.85  224.613  330.325   19.566  270.260   23.514 60.06519 30.58977 
1 1 1  -11   12   29 o  846.997   26.259 13108.28  786.092   0.0000   0.0000 13108.28  786.092  ?   ?   846.997   26.259      ?      ? 
1 1 1  -11   12   31 o  181.704   16.701  592.102  107.256   0.0000   0.0000  592.102  107.256  ?   ?   181.704   16.701      ?      ? 
1 1 1  -11   12   33 o  254.342   12.901  1129.02  110.149  1283.11  192.995  1054.58  134.143  266.155   20.516  242.529   15.649 23.62564 25.80297 
1 1 1  -11   12   35 o  106.027   13.829  200.290   46.778  226.476   86.112  189.328   55.716  109.363   23.007  102.691   15.351 6.672310 27.65791 
1 1 1  -11   12   37 o  279.810   15.613  1410.70  154.404   0.0000   0.0000  1410.70  154.404  ?   ?   279.810   15.613      ?      ? 
1 1 1  -11   12   39 o  114.493   14.434  263.874   49.863  204.954   92.722  287.846   59.143  102.461   25.660  126.526   13.225 -24.06579 28.86770 
1 1 1  -11   12   41 o  186.093   14.038  654.364   85.078  614.352  150.124  673.294  103.261  179.918   23.608  192.267   15.195 -12.34955 28.07532 
1 1 1  -11   12   43 o   99.496   22.820  198.640   78.543   0.0000   0.0000  198.640   78.543  ?   ?    99.496   22.820      ?      ? 
1 1 1  -11   12   45 o   85.948   22.472  153.169   69.033   0.0000   0.0000  153.169   69.033  ?   ?    85.948   22.472      ?      ? 
1 1 1  -11   13    6 o  879.122   37.740 13904.09  1172.65   0.0000   0.0000 13904.09  1172.65  ?   ?   879.122   37.740      ?      ? 
1 1 1  -11   13    8 o  292.293   16.335  1523.18  168.211  1668.35  238.473  1379.42  237.305  306.272   22.030  278.314   24.124 27.95773 32.66940 
1 1 1  -11   13   10 o  105.509   23.740  206.112   86.388  206.112   86.388   0.0000   0.0000  105.509   23.740  ?   ?       ?      ? 
1 1 1  -11   13   12 o  250.448   14.235  1105.19  118.990  1147.94  207.192  1084.15  145.350  253.767   23.100  247.129   16.641 6.638062 28.46993 
1 1 1  -11   13   14 o  387.194   24.806  2680.63  339.468   0.0000   0.0000  2680.63  339.468  ?   ?   387.194   24.806      ?      ? 
1 1 1  -11   13   16 o  334.389   15.589  2011.80  172.616  1958.33  300.204  2038.21  210.981  330.381   25.709  338.397   17.640 -8.016388 31.17861 
1 1 1  -11   13   18 o  562.598   19.078  5847.45  351.987  5305.57  610.378  6117.43  430.842  540.344   31.960  584.852   20.843 -44.50769 38.15578 
1 1 1  -11   13   20 o  130.668   14.244  322.027   58.254  280.867  102.876  341.454   70.677  122.799   24.561  138.537   14.434 -15.73751 28.48800 
1 1 1  -11   13   22 o  103.177   16.028  203.798   54.591  169.015   96.433  220.203   66.225   95.306   27.256  111.049   16.873 -15.74352 32.05576 
1 1 1  -11   13   24 o   67.257   12.302   85.707   27.044   73.005   54.056   89.947   31.234   64.536   20.821   69.978   13.110 -5.441826 24.60479 
1 1 1  -11   13   26 o  278.930   16.531  1418.68  161.096  1663.75  228.204  1175.24  227.447  303.695   21.260  254.166   25.319 49.52844 33.06106 
1 1 1  -11   13   28 o   46.172   11.306   23.631   20.000   60.459   42.222   12.977   22.709   58.316   18.358   34.027   13.202 24.28881 22.61205 
1 1 1  -11   13   30 f  133.305   15.373  327.262   65.348  326.025  116.077  327.836   79.067  131.394   25.915  135.216   16.544 -3.821884 30.74615 
1 1 1  -11   13   32 o  375.416   15.041  2566.36  187.118  2534.52  325.580  2582.07  228.653  371.901   24.769  378.932   17.072 -7.031799 30.08286 
1 1 1  -11   13   34 o  312.366   16.262  1862.55  164.102  1578.28  285.387  2002.97  200.578  291.338   27.715  333.394   17.022 -42.05600 32.52497 
1 1 1  -11   13   36 o  308.357   16.175  1826.95  160.837  1543.48  279.961  1966.61  196.501  286.870   27.612  329.845   16.855 -42.97418 32.34966 
1 1 1  -11   13   38 f  101.097   22.411  196.302   77.978   0.0000   0.0000  196.302   77.978  ?   ?   101.097   22.411      ?      ? 
1 1 1  -11   13   40 o  146.529   11.977  393.370   58.017  394.250  101.671  392.944   70.649  145.702   19.743  147.356   13.565 -1.653412 23.95390 
1 1 1  -11   13   42 o   79.733   21.624  126.288   62.477   0.0000   0.0000  126.288   62.477  ?   ?    79.733   21.624      ?      ? 
1 1 1  -11   13   44 o   27.626   11.024   7.5108   16.224   0.0000   0.0000   7.5108   16.224  ?   ?    27.626   11.024      ?      ? 
1 1 1  -11   14    1 o  181.842   21.861  589.116  140.505  589.116  140.505   0.0000   0.0000  181.842   21.861  ?   ?       ?      ? 
1 1 1  -11   14    3 o  294.686   23.244  1548.33  242.096  1548.33  242.096   0.0000   0.0000  294.686   23.244  ?   ?       ?      ? 
1 1 1  -11   14    7 o  426.780   25.608  3255.33  386.280   0.0000   0.0000  3255.33  386.280  ?   ?   426.780   25.608      ?      ? 
1 1 1  -11   14    9 o  299.264   23.188  1598.56  245.266   0.0000   0.0000  1598.56  245.266  ?   ?   299.264   23.188      ?      ? 
1 1 1  -11   14   11 o  324.213   17.711  1869.69  202.957   0.0000   0.0000  1869.69  202.957  ?   ?   324.213   17.711      ?      ? 
1 1 1  -11   14   13 o  268.831   22.750  1292.79  216.161   0.0000   0.0000  1292.79  216.161  ?   ?   268.831   22.750      ?      ? 
1 1 1  -11   14   15 o  696.407   24.940  8914.13  607.708  7513.84  859.975 10310.87  858.882  639.575   38.043  753.240   32.261 -113.6648 49.88035 
1 1 1  -11   14   17 o  183.949   13.881  610.695   84.367  589.122  146.975  621.298  103.033  181.102   22.961  186.795   15.606 -5.692657 27.76278 
1 1 1  -11   14   19 o   92.153   15.519  169.100   49.863  102.990   87.120  201.307   60.808   78.061   26.479  106.246   16.193 -28.18491 31.03815 
1 1 1  -11   14   21 o   46.434   10.964   34.497   18.678   37.837   39.291   33.522   21.229   49.679   17.724   43.189   12.911 6.490166 21.92799 
1 1 1  -11   14   23 o  379.591   15.995  2687.57  198.033  2367.13  343.616  2846.93  242.324  360.355   26.979  398.826   17.191 -38.47134 31.99023 
1 1 1  -11   14   25 o  445.674   16.027  3580.71  238.041  3639.68  412.821  3551.34  291.355  446.663   26.149  444.685   18.537 1.978058 32.05356 
1 1 1  -11   14   27 o  171.393   15.763  532.414   95.421  509.273  134.739  555.697  135.154  167.568   22.750  175.218   21.824 -7.650208 31.52525 
1 1 1  -11   14   29 o  611.666   18.844  6944.26  380.595  6630.46  659.602  7100.89  465.993  596.921   31.264  626.410   21.047 -29.48889 37.68863 
1 1 1  -11   14   31 o  256.557   13.421  1211.03  113.497  1124.25  196.220  1254.66  139.134  248.452   22.345  264.663   14.874 -16.21133 26.84270 
1 1 1  -11   14   33 o  362.237   14.450  2341.11  175.518  2527.48  304.818  2248.67  214.680  371.343   23.224  353.131   17.200 18.21136 28.90024 
1 1 1  -11   14   35 o  315.931   17.358  2036.02  169.387  1390.66  293.157  2359.46  207.538  270.337   30.681  361.526   16.242 -91.18896 34.71522 
1 1 1  -11   14   37 o  142.246   14.530  383.920   65.918  356.864  114.335  397.391   80.676  136.281   24.644  148.211   15.401 -11.92998 29.06039 
1 1 1  -11   14   39 o  160.856   16.250  491.183   91.583  423.343  129.950  558.128  129.090  148.966   24.681  172.745   21.143 -23.77992 32.49920 
1 1 1  -11   14   41 o  257.709   23.800  1296.14  216.785   0.0000   0.0000  1296.14  216.785  ?   ?   257.709   23.800      ?      ? 
1 1 1  -11   15    2 o   66.090   12.009   78.409   27.076   87.655   46.690   73.724   33.234   69.013   18.683   63.167   15.092 5.846638 24.01772 
1 1 1  -11   15    4 o   65.001   14.415   73.927   37.759   50.568   54.830   94.998   52.076   58.097   20.915   71.904   19.843 -13.80719 28.83014 
1 1 1  -11   15    6 o  518.482   17.516  4921.17  298.808  4525.75  517.538  5118.90  365.968  501.093   29.222  535.872   19.322 -34.77881 35.03228 
1 1 1  -11   15    8 o  146.008   19.454  418.367   97.166  168.478  138.036  663.803  136.801   99.153   33.332  192.862   20.069 -93.70839 38.90729 
1 1 1  -11   15   10 o  244.447   16.288  1072.12  140.488  1006.33  199.316  1137.09  198.050  236.868   23.808  252.025   22.234 -15.15689 32.57505 
1 1 1  -11   15   12 o  339.000   23.966  2064.46  287.152   0.0000   0.0000  2064.46  287.152  ?   ?   339.000   23.966      ?      ? 
1 1 1  -11   15   14 o  559.763   28.996  5684.14  573.675   0.0000   0.0000  5684.14  573.675  ?   ?   559.763   28.996      ?      ? 
1 1 1  -11   15   16 o  235.855   22.342  999.966  186.243   0.0000   0.0000  999.966  186.243  ?   ?   235.855   22.342      ?      ? 
1 1 1  -11   15   18 o  423.540   18.256  3210.07  273.285   0.0000   0.0000  3210.07  273.285  ?   ?   423.540   18.256      ?      ? 
1 1 1  -11   15   20 o  198.247   12.836  686.473   85.671  761.516  148.536  649.066  104.872  205.806   20.420  190.687   15.560 15.11877 25.67278 
1 1 1  -11   15   22 o  675.180   21.884  8774.17  477.378  7381.32  826.846  9470.58  584.666  626.818   37.322  723.542   22.862 -96.72467 43.76772 
1 1 1  -11   15   24 o  124.883   17.278  326.768   68.697  192.071  118.833  394.377   84.190  101.308   30.605  148.458   16.045 -47.15061 34.55602 
1 1 1  -11   15   26 o  216.883   14.755  888.780  103.548  745.360  179.432  960.392  126.790  202.085   25.121  231.682   15.484 -29.59666 29.50983 
1 1 1  -11   15   28 o  332.379   18.548  2044.23  214.821  1668.83  304.521  2416.12  303.090  300.544   28.667  364.213   23.545 -63.66919 37.09696 
1 1 1  -11   15   30 o   99.767   15.172  207.378   50.954  113.595   86.974  256.388   62.874   79.910   26.449  119.624   14.871 -39.71322 30.34303 
1 1 1  -11   15   32 f  197.375   15.823  700.599  110.385   0.0000   0.0000  700.599  110.385  ?   ?   197.375   15.823      ?      ? 
1 1 1  -11   15   34 o  191.342   15.935  725.117   96.583  540.157  165.928  819.895  118.778  169.488   27.699  213.195   15.763 -43.70697 31.86994 
1 1 1  -11   15   36 o   73.443   12.729  107.818   33.304   66.655   57.271  128.849   40.937   62.302   21.462   84.584   13.693 -22.28170 25.45822 
1 1 1  -11   15   38 o  194.732   15.746  714.268  108.036  645.519  151.154  786.069  154.472  184.660   23.159  204.804   21.340 -20.14413 31.49188 
1 1 1  -11   15   40 o   99.454   24.312  200.672   84.741   0.0000   0.0000  200.672   84.741  ?   ?    99.454   24.312      ?      ? 
1 1 1  -11   16    1 o  263.554   12.578  1193.25  112.205  1398.03  194.090  1090.46  137.513  279.630   19.638  247.478   15.721 32.15164 25.15572 
1 1 1  -11   16    3 o  308.881   14.878  1698.99  153.505  1737.13  265.693  1679.88  188.071  310.822   24.185  306.940   17.336 3.881989 29.75661 
1 1 1  -11   16    5 o  221.622   13.048  866.391   96.927  909.763  167.669  844.622  118.786  225.402   21.046  217.843   15.428 7.558716 26.09521 
1 1 1  -11   16    7 o   71.343   13.575   92.982   33.830   95.665   57.535   91.564   41.824   72.406   21.155   70.281   17.018 2.125160 27.15067 
1 1 1  -11   16    9 o  226.257   14.355  945.333  108.660  1301.51  154.593  597.551  152.760  270.256   16.184  182.258   23.714 87.99745 28.71031 
1 1 1  -11   16   11 o  231.131   15.413  951.580  125.909   0.0000   0.0000  951.580  125.909  ?   ?   231.131   15.413      ?      ? 
1 1 1  -11   16   13 o  109.449   17.342  226.186   69.745  108.449   99.513  339.854   97.778   81.205   28.272  137.692   20.092 -56.48635 34.68410 
1 1 1  -11   16   15 o  205.640   16.922  771.205  121.188  625.530  171.995  914.830  170.781  185.723   26.202  225.557   21.422 -39.83441 33.84446 
1 1 1  -11   16   17 o  145.621   17.364  395.663   85.659  308.806  121.942  480.272  120.353  127.846   27.780  163.397   20.840 -35.55072 34.72816 
1 1 1  -11   16   19 o  134.432   21.329  325.819  101.342   0.0000   0.0000  325.819  101.342  ?   ?   134.432   21.329      ?      ? 
1 1 1  -11   16   21 o  245.400   22.575  1089.98  195.802   0.0000   0.0000  1089.98  195.802  ?   ?   245.400   22.575      ?      ? 
1 1 1  -11   16   23 o  236.663   16.660  1003.66  139.358   0.0000   0.0000  1003.66  139.358  ?   ?   236.663   16.660      ?      ? 
1 1 1  -11   16   25 o  285.174   15.168  1454.78  152.878   0.0000   0.0000  1454.78  152.878  ?   ?   285.174   15.168      ?      ? 
1 1 1  -11   16   27 o  282.586   15.889  1456.38  157.346  1230.48  220.415  1691.13  224.690  259.603   24.022  305.569   20.804 -45.96606 31.77861 
1 1 1  -11   16   29 o  107.128   14.045  216.576   49.956  192.685   80.944  231.275   63.490  100.772   23.205  113.483   15.829 -12.71104 28.09002 
1 1 1  -11   16   31 o  243.571   14.696  1137.71  115.842  923.687  198.169  1248.81  142.777  223.557   25.080  263.584   15.326 -40.02669 29.39180 
1 1 1  -11   16   33 o   49.958   13.711   30.977   32.241   33.864   37.918   23.440   61.257   47.565   17.353   52.351   21.234 -4.785187 27.42221 
1 1 1  -11   16   35 o  114.749   15.901  242.638   62.839  187.667   82.564  318.321   96.877   98.269   23.982  131.230   20.887 -32.96082 31.80264 
1 1 1  -11   16   37 o  182.760   23.351  634.425  150.834   0.0000   0.0000  634.425  150.834  ?   ?   182.760   23.351      ?      ? 
1 1 1  -11   16   39 o  178.981   16.120  626.009  100.446  512.007  141.933  740.393  142.170  160.944   24.951  197.018   20.417 -36.07416 32.23960 
1 1 1  -11   16   41 o  105.532   23.496  231.084   85.385   0.0000   0.0000  231.084   85.385  ?   ?   105.532   23.496      ?      ? 
1 1 1  -11   17    2 o  330.166   14.230  1934.47  157.326  2016.75  272.142  1893.17  192.810  334.660   23.008  325.671   16.751 8.988586 28.45935 
1 1 1  -11   17    4 o  215.673   13.339  814.807   96.882  890.184  167.353  776.812  118.816  222.650   21.266  208.696   16.108 13.95425 26.67806 
1 1 1  -11   17    6 o  273.821   14.433  1359.54  130.910  1301.40  226.378  1388.75  160.460  268.638   23.842  279.004   16.272 -10.36594 28.86558 
1 1 1  -11   17    8 o  587.423   21.572  6316.61  446.711  6817.06  631.299  5814.75  632.191  611.575   29.206  563.270   31.755 48.30450 43.14325 
1 1 1  -11   17   10 o   46.848   10.701   31.495   19.822   58.859   34.683   18.221   24.156   56.803   16.376   36.894   13.780 19.90966 21.40237 
1 1 1  -11   17   12 o  243.467   17.831  1096.68  148.320  783.404  210.078  1408.05  209.436  207.164   28.691  279.771   21.180 -72.60732 35.66193 
1 1 1  -11   17   14 o  158.773   15.741  480.706   78.674  406.047  135.756  518.459   96.538  147.186   27.094  170.360   16.033 -23.17473 31.48264 
1 1 1  -11   17   16 o  352.382   16.296  2318.21  187.654  2044.02  324.521  2455.94  230.007  334.517   27.448  370.247   17.576 -35.72937 32.59290 
1 1 1  -11   17   18 o   74.908   13.307  110.715   35.195   73.208   59.197  131.221   43.772   65.359   21.829   84.456   15.224 -19.09743 26.61302 
1 1 1  -11   17   20 o  524.476   20.193  5058.49  374.271  4971.71  529.656  5145.02  528.942  519.787   28.830  529.164   28.281 -9.377869 40.38573 
1 1 1  -11   17   22 o  168.918   17.776  538.550   99.968  388.363  141.789  687.001  140.966  142.788   29.083  195.048   20.448 -52.26035 35.55200 
1 1 1  -11   17   24 o  193.926   21.986  682.237  150.693   0.0000   0.0000  682.237  150.693  ?   ?   193.926   21.986      ?      ? 
1 1 1  -11   17   26 f   83.664   21.756  131.948   64.936   0.0000   0.0000  131.948   64.936  ?   ?    83.664   21.756      ?      ? 
1 1 1  -11   17   30 f  253.062   25.124  1186.13  224.717   0.0000   0.0000  1186.13  224.717  ?   ?   253.062   25.124      ?      ? 
1 1 1  -11   17   32 o   71.711   16.799   94.216   49.309  109.713   59.780   61.228   87.218   76.112   21.354   67.311   25.941 8.801193 33.59899 
1 1 1  -11   17   34 o  138.892   14.381  367.852   64.934  335.873  108.106  385.902   81.217  132.000   24.058  145.783   15.762 -13.78337 28.76169 
1 1 1  -11   17   36 o   88.589   13.968  167.533   44.055   76.931   72.277  221.091   55.571   66.932   24.022  110.247   14.261 -43.31485 27.93641 
1 1 1  -11   17   38 o   72.580   14.030  108.031   37.488   75.162   62.424  126.571   46.884   64.128   22.389   81.032   16.916 -16.90406 28.06080 
1 1 1  -11   17   40 o  120.475   23.804  301.116   97.767   0.0000   0.0000  301.116   97.767  ?   ?   120.475   23.804      ?      ? 
1 1 1  -11   18    1 o  175.913   13.002  528.360   77.748  651.329  133.943  465.876   95.479  190.406   19.903  161.420   16.735 28.98599 26.00380 
1 1 1  -11   18    3 o  207.990   14.062  761.192   98.521  829.253  169.936  726.734  120.915  214.394   22.426  201.587   16.971 12.80681 28.12351 
1 1 1  -11   18    5 o  319.265   13.908  1810.40  148.828  1893.27  257.096  1768.64  182.519  323.933   22.455  314.598   16.415 9.335632 27.81519 
1 1 1  -11   18    7 o  340.631   14.322  2023.58  164.704  2295.48  284.927  1887.13  201.844  356.589   22.607  324.672   17.589 31.91702 28.64378 
1 1 1  -11   18    9 o  271.170   15.038  1344.92  134.729  1265.56  232.877  1384.84  165.179  264.091   24.949  278.249   16.796 -14.15811 30.07576 
1 1 1  -11   18   11 o  123.237   22.390  282.319   93.934   0.0000   0.0000  282.319   93.934  ?   ?   123.237   22.390      ?      ? 
1 1 1  -11   18   13 o  147.434   18.058  418.503   88.161  249.240  124.987  586.102  124.371  114.324   30.404  180.544   19.490 -66.21997 36.11505 
1 1 1  -11   18   15 o  276.462   13.174  1353.22  122.325  1437.11  211.141  1310.84  150.077  282.160   21.172  270.764   15.682 11.39529 26.34718 
1 1 1  -11   18   17 o  198.383   11.207  700.175   74.729  717.304  127.755  691.267   92.135  199.847   18.087  196.920   13.238 2.926300 22.41363 
1 1 1  -11   18   19 o  199.264   13.601  739.977   88.784  644.125  152.345  789.274  109.254  188.371   22.882  210.156   14.709 -21.78535 27.20174 
1 1 1  -11   18   21 o   61.956   12.358   73.180   28.965   45.863   46.747   90.204   36.903   54.246   19.335   69.666   15.397 -15.42025 24.71660 
1 1 1  -11   18   23 f  218.691   14.408  891.295  103.552  790.786  177.526  943.130  127.488  208.019   24.146  229.363   15.726 -21.34315 28.81534 
1 1 1  -11   18   25 o  260.596   15.650  1237.57  143.203  1060.81  198.893  1427.84  206.351  240.821   23.367  280.371   20.823 -39.55019 31.29924 
1 1 1  -11   18   27 o  123.738   22.783  288.432   95.969  288.432   95.969   0.0000   0.0000  123.738   22.783  ?   ?       ?      ? 
1 1 1  -11   18   31 o  205.554   22.380  782.566  162.597   0.0000   0.0000  782.566  162.597  ?   ?   205.554   22.380      ?      ? 
1 1 1  -11   18   33 o  212.265   22.606  844.281  169.602   0.0000   0.0000  844.281  169.602  ?   ?   212.265   22.606      ?      ? 
1 1 1  -11   18   35 o   73.899   16.184  103.996   41.101   0.0000   0.0000  103.996   41.101  ?   ?    73.899   16.184      ?      ? 
1 1 1  -11   18   37 f  152.382   14.856  517.333   65.447  280.935  108.663  651.905   81.985  115.655   27.063  189.108   12.266 -73.45287 29.71272 
1 1 1  -11   19    2 o   56.482   13.088   54.295   29.334   57.885   48.644   52.243   36.773   58.624   19.786   54.340   17.136 4.283279 26.17515 
1 1 1  -11   19    4 o  120.942   12.142  258.207   49.632  275.089   84.600  249.347   61.287  123.690   19.351  118.193   14.671 5.497704 24.28408 
1 1 1  -11   19    6 o  150.020   10.545  392.910   53.590  432.957   91.535  372.023   66.104  155.516   16.653  144.525   12.941 10.99072 21.09002 
1 1 1  -11   19    8 f  289.534   16.099  1518.87  164.396  1398.58  231.241  1641.79  233.763  277.690   23.560  301.379   21.945 -23.68912 32.19777 
1 1 1  -11   19   10 o   69.783   20.144   89.699   52.452   0.0000   0.0000   89.699   52.452  ?   ?    69.783   20.144      ?      ? 
1 1 1  -11   19   12 o  135.054   11.968  315.958   55.223  369.267   93.295  287.207   68.515  143.356   18.413  126.752   15.294 16.60384 23.93598 
1 1 1  -11   19   14 o   97.860   12.524  177.853   40.199  165.628   67.321  184.628   50.114   94.010   20.810  101.711   13.940 -7.700394 25.04808 
1 1 1  -11   19   16 o  148.865   16.447  410.821   83.608  347.338  118.628  473.478  117.854  135.838   25.649  161.892   20.597 -26.05359 32.89498 
1 1 1  -11   19   18 o  113.336   14.924  253.075   54.314  189.395   91.602  287.601   67.449   99.880   25.775  126.793   15.051 -26.91336 29.84763 
1 1 1  -11   19   20 o   74.299   15.729   98.697   43.305   89.376   54.318  114.954   71.739   69.689   20.610   78.910   23.766 -9.220695 31.45847 
1 1 1  -11   19   22 o  210.275   15.172  801.623  112.049  685.818  154.182  931.242  163.117  193.934   22.494  226.617   20.365 -32.68275 30.34303 
1 1 1  -11   19   24 o  105.650   17.913  217.096   65.901  240.496   86.926  185.467  101.060  112.869   22.578   98.432   27.816 14.43695 35.82652 
1 1 1  -11   19   26 o  107.812   16.425  207.489   59.389  289.371   99.132  161.647   74.173  123.553   23.561   92.072   22.891 31.48142 32.84959 
1 1 1  -11   19   28 o  405.052   15.399  3062.03  209.109  1944.87  287.851  4310.36  304.281  322.859   25.225  487.246   17.669 -164.3873 30.79771 
1 1 1  -11   19   30 o  311.964   17.143  1825.64  188.827  1735.04  267.105  1916.15  266.979  303.746   24.880  320.181   23.592 -16.43478 34.28687 
1 1 1  -11   19   32 o  178.259   16.064  603.500   99.644  488.975  140.913  718.043  140.924  160.081   24.905  196.438   20.297 -36.35648 32.12875 
1 1 1  -11   19   34 o  213.035   22.977  873.706  173.011   0.0000   0.0000  873.706  173.011  ?   ?   213.035   22.977      ?      ? 
1 1 1  -11   19   36 o  132.186   23.617  354.035  106.291   0.0000   0.0000  354.035  106.291  ?   ?   132.186   23.617      ?      ? 
1 1 1  -11   20    1 o   98.878   12.489  167.032   41.480  227.963   70.371  134.589   51.350  112.682   17.669   85.074   17.656 27.60825 24.97841 
1 1 1  -11   20    3 o   69.206   12.845   89.601   31.108   84.303   51.645   92.617   38.971   67.849   20.104   70.564   15.995 -2.715263 25.69072 
1 1 1  -11   20    5 o  280.097   14.357  1386.29  135.386  1511.63  233.772  1323.04  166.072  288.638   22.915  271.556   17.303 17.08167 28.71375 
1 1 1  -11   20    7 o  106.642   14.436  204.422   50.660  239.727   85.753  185.495   62.788  113.206   22.225  100.078   18.430 13.12740 28.87248 
1 1 1  -11   20    9 o  357.819   18.755  2303.85  237.190   0.0000   0.0000  2303.85  237.190  ?   ?   357.819   18.755      ?      ? 
1 1 1  -11   20   11 o  513.848   17.902  4858.14  304.982  4716.87  527.274  4929.16  373.868  505.170   29.531  522.526   20.244 -17.35556 35.80353 
1 1 1  -11   20   13 o  215.005   14.853  869.312  104.190  742.854  178.939  934.176  128.155  201.636   25.108  228.374   15.877 -26.73744 29.70699 
1 1 1  -11   20   15 o  509.286   19.534  4777.99  351.406  4570.24  495.011  4989.05  498.938  497.738   28.138  520.835   27.104 -23.09659 39.06855 
1 1 1  -11   20   17 o  441.674   18.593  3587.94  290.204  3495.22  408.233  3682.67  412.622  435.766   26.505  447.581   26.083 -11.81479 37.18695 
1 1 1  -11   20   19 o  126.731   14.104  286.713   57.433  139.110   74.447  503.693   90.264   85.860   23.738  167.602   15.237 -81.74235 28.20754 
1 1 1  -11   20   21 o  222.157   14.146  903.755  104.797  870.373  178.912  921.191  129.300  217.991   23.221  226.324   16.164 -8.333176 28.29291 
1 1 1  -11   20   23 o  205.223   15.827  772.922  114.513  712.216  161.993  833.557  161.898  196.857   23.282  213.590   21.446 -16.73311 31.65412 
1 1 1  -11   20   25 f  131.400   15.087  340.560   63.231  260.722  103.925  387.486   79.675  116.165   25.965  146.636   15.373 -30.47090 30.17448 
1 1 1  -11   20   27 o  210.273   14.252  897.103   93.807  575.341  155.221  1082.24  117.742  175.237   25.061  245.308   13.580 -70.07161 28.50421 
1 1 1  -11   20   29 o  172.100   14.716  502.315   79.999  287.911   99.141  902.464  135.440  121.963   23.853  222.237   17.243 -100.2739 29.43292 
1 1 1  -11   20   31 o  300.387   14.559  1779.12  141.560  1428.12  239.642  1967.24  175.441  272.456   24.885  328.317   15.119 -55.86099 29.11812 
1 1 1  -11   20   33 o  117.290   14.291  281.683   54.368  199.400   85.226  338.148   70.600   98.993   24.492  135.587   14.732 -36.59438 28.58164 
1 1 1  -11   20   35 o  117.986   14.683  287.899   56.801  218.835   88.966  335.422   73.799  102.103   24.881  133.870   15.597 -31.76745 29.36538 
1 1 1  -11   21    2 o  144.354   12.175  363.012   60.311  420.564  100.582  330.704   75.361  152.824   18.621  135.885   15.691 16.93938 24.35094 
1 1 1  -11   21    4 o  273.751   14.080  1345.27  129.389  1377.95  221.587  1328.35  159.384  275.368   22.767  272.133   16.571 3.234436 28.15913 
1 1 1  -11   21    6 o  231.414   14.071  928.542  110.446  1103.52  190.433  839.852  135.577  246.685   21.841  216.143   17.747 30.54195 28.14248 
1 1 1  -11   21    8 o  257.382   14.182  1166.86  123.190  1297.45  212.402  1100.66  151.223  267.240   22.487  247.524   17.285 19.71561 28.36313 
1 1 1  -11   21   10 o  125.314   22.613  293.517   96.470  293.517   96.470   0.0000   0.0000  125.314   22.613  ?   ?       ?      ? 
1 1 1  -11   21   12 o  219.952   14.250  884.610  106.473  596.344  146.688  1205.59  154.788  180.899   22.942  259.005   16.909 -78.10538 28.50009 
1 1 1  -11   21   14 o  283.629   15.372  1465.57  152.353  1196.84  211.561  1755.08  219.582  255.937   23.387  311.321   19.956 -55.38394 30.74411 
1 1 1  -11   21   16 o  191.115   14.131  666.356   90.241  648.684  153.907  675.615  111.399  188.357   23.118  193.874   16.257 -5.516907 28.26224 
1 1 1  -11   21   18 o  135.116   12.808  322.412   59.273  359.940   98.750  301.277   74.108  140.825   19.840  129.407   16.203 11.41774 25.61527 
1 1 1  -11   21   20 o  123.863   14.308  279.196   58.760  298.335   98.617  268.661   73.166  125.720   23.043  122.007   16.967 3.713425 28.61559 
1 1 1  -11   21   22 o  259.043   13.891  1224.00  120.569  1221.69  205.735  1225.21  148.799  257.566   22.599  260.520   16.160 -2.953064 27.78273 
1 1 1  -11   21   24 o  355.378   15.577  2397.16  181.594  2137.33  311.796  2530.54  223.392  337.261   26.157  373.495   16.922 -36.23367 31.15361 
1 1 1  -11   21   26 o   91.704   14.622  165.614   46.943  119.330   73.493  197.512   61.011   79.210   24.100  104.199   16.566 -24.98811 29.24453 
1 1 1  -11   21   28 o  245.397   13.762  1143.31  112.204  1026.65  188.388  1207.44  139.682  233.292   22.847  257.501   15.348 -24.20911 27.52357 
1 1 1  -11   21   30 f  222.033   13.504  941.185  100.595  856.948  166.132  989.948  126.401  211.846   22.188  232.220   15.400 -20.37376 27.00867 
1 1 1  -11   21   32 o  121.198   14.129  304.058   54.862  209.792   86.193  368.260   71.132  101.028   24.411  141.368   14.236 -40.34008 28.25888 
1 1 1  -11   21   34 o   85.414   15.874  151.288   48.567  146.138   68.719  156.428   68.648   83.867   22.650   86.961   22.245 -3.094696 31.74712 
1 1 1  -11   22    1 o  143.003   21.573  371.969  109.038   0.0000   0.0000  371.969  109.038  ?   ?   143.003   21.573      ?      ? 
1 1 1  -11   22    3 o  141.104   21.521  362.037  107.331   0.0000   0.0000  362.037  107.331  ?   ?   141.104   21.521      ?      ? 
1 1 1  -11   22    5 o  173.615   24.316  552.368  149.209   0.0000   0.0000  552.368  149.209  ?   ?   173.615   24.316      ?      ? 
1 1 1  -11   22    7 o  178.448   24.277  583.676  153.116   0.0000   0.0000  583.676  153.116  ?   ?   178.448   24.277      ?      ? 
1 1 1  -11   22    9 o  173.008   21.861  545.181  133.678  545.181  133.678   0.0000   0.0000  173.008   21.861  ?   ?       ?      ? 
1 1 1  -11   22   11 o   69.521   12.894   94.514   35.064   34.350   54.679  136.534   45.696   53.107   20.519   85.934   15.621 -32.82717 25.78825 
1 1 1  -11   22   13 o  180.763   13.301  579.203   81.497  634.481  138.725  550.072  100.707  186.680   21.025  174.846   16.296 11.83337 26.60105 
1 1 1  -11   22   15 o  179.838   13.992  590.029   84.507  579.345  142.949  595.769  104.777  177.791   22.748  181.885   16.299 -4.093155 27.98446 
1 1 1  -11   22   17 f  106.702   14.505  224.637   50.610  168.478   83.456  257.301   63.648   93.773   24.800  119.631   15.053 -25.85784 29.01067 
1 1 1  -11   22   19 o  145.113   13.252  384.102   65.154  379.377  108.302  386.782   81.564  143.804   21.308  146.423   15.760 -2.618820 26.50340 
1 1 1  -11   22   21 o  125.271   13.278  281.617   56.912  305.437   94.506  268.063   71.288  128.921   20.740  121.620   16.584 7.300789 26.55540 
1 1 1  -11   22   23 o  279.214   13.848  1464.04  127.881  1337.34  218.048  1530.47  157.884  267.727   23.043  290.702   15.366 -22.97504 27.69668 
1 1 1  -11   22   25 o   92.911   15.919  168.098   51.756  159.765   73.490  176.298   72.901   90.503   22.943   95.320   22.073 -4.816872 31.83759 
1 1 1  -11   22   27 o  121.098   14.776  291.678   58.638  232.889   93.108  330.323   75.490  108.007   24.900  134.188   15.917 -26.18107 29.55255 
1 1 1  -11   22   29 o   55.845   12.455   58.329   27.788   47.032   40.717   68.178   38.018   52.026   18.086   59.664   17.129 -7.637943 24.91019 
1 1 1  -11   22   31 o  200.302   15.957  762.873  110.579  602.231  141.710  1012.97  176.818  173.948   23.049  226.656   22.072 -52.70816 31.91301 
1 1 1  -11   23    2 o  295.200   17.515  1611.20  182.230  1686.22  252.804  1530.05  262.918  302.936   23.611  287.464   25.877 15.47162 35.03003 
1 1 1  -11   23    4 o  140.401   21.717  360.032  107.767  360.032  107.767   0.0000   0.0000  140.401   21.717  ?   ?       ?      ? 
1 1 1  -11   23    6 o  127.939   15.723  306.697   68.576  367.589   97.155  246.236   96.810  142.339   19.312  113.540   24.817 28.79890 31.44536 
1 1 1  -11   23    8 o  259.126   22.974  1232.16  210.406   0.0000   0.0000  1232.16  210.406  ?   ?   259.126   22.974      ?      ? 
1 1 1  -11   23   10 o  285.529   23.419  1499.78  236.345   0.0000   0.0000  1499.78  236.345  ?   ?   285.529   23.419      ?      ? 
1 1 1  -11   23   12 o  111.151   16.267  222.835   63.905   0.0000   0.0000  222.835   63.905  ?   ?   111.151   16.267      ?      ? 
1 1 1  -11   23   14 o  152.623   12.967  426.348   67.484  410.113  109.760  436.214   85.569  149.689   20.746  155.556   15.564 -5.866211 25.93486 
1 1 1  -11   23   16 o  222.473   13.239  920.409   98.201  841.105  165.069  963.849  122.172  213.686   21.856  231.261   14.947 -17.57483 26.47814 
1 1 1  -11   23   18 o   96.124   14.804  168.653   48.057  218.602   77.984  138.072   61.020  107.197   21.333   85.050   20.532 22.14744 29.60868 
1 1 1  -11   23   20 o  166.292   15.469  515.943   90.171  589.691  127.733  442.683  127.310  178.785   20.214  153.800   23.420 24.98409 30.93700 
1 1 1  -11   23   22 o  100.642   14.807  192.812   49.851  203.172   80.564  186.384   63.458  102.179   22.878   99.106   18.804 3.073120 29.61389 
1 1 1  -11   23   24 f  109.358   16.212  234.704   60.668  220.571   85.790  248.841   85.804  105.714   23.563  113.003   22.275 -7.289696 32.42478 
1 1 1  -11   23   26 o   91.833   14.408  168.468   45.172  146.052   69.824  184.602   59.239   85.471   22.722   98.194   17.721 -12.72354 28.81542 
1 1 1  -11   23   28 o  215.413   14.344  948.033   99.713  717.999  164.927  1080.56  125.182  189.232   24.659  241.594   14.660 -52.36185 28.68772 
1 1 1  -11   23   30 o   75.795   18.145  117.045   53.380  119.350   61.000  109.506  110.292   76.228   21.635   75.362   29.135 0.8661957 36.28982 
1 1 1  -11   24    1 o   61.450   15.368   62.438   39.544   68.341   46.570   47.185   74.866   61.386   19.273   61.514   23.942 -0.1272812 30.73532 
1 1 1  -11   24    3 o  306.557   14.360  1660.11  149.394  1931.72  256.293  1520.33  183.860  323.767   22.397  289.348   17.978 34.41873 28.71987 
1 1 1  -11   24    5 o   60.102   12.758   65.739   28.975   71.193   44.848   61.831   37.962   62.217   18.803   57.986   17.249 4.231441 25.51632 
1 1 1  -11   24    7 o  160.837   21.822  476.008  124.052   0.0000   0.0000  476.008  124.052  ?   ?   160.837   21.822      ?      ? 
1 1 1  -11   24    9 o  154.123   13.952  427.107   73.524  462.808  122.275  406.888   92.018  158.508   21.826  149.739   17.387 8.768753 27.90434 
1 1 1  -11   24   11 o  262.911   16.366  1283.17  151.831  1364.71  214.793  1201.74  214.650  271.677   22.369  254.146   23.896 17.53020 32.73222 
1 1 1  -11   24   13 o  111.253   22.711  237.050   86.281   0.0000   0.0000  237.050   86.281  ?   ?   111.253   22.711      ?      ? 
1 1 1  -11   24   15 o  138.123   21.730  353.857  106.082   0.0000   0.0000  353.857  106.082  ?   ?   138.123   21.730      ?      ? 
1 1 1  -11   24   17 o  128.177   17.701  300.823   80.192   0.0000   0.0000  300.823   80.192  ?   ?   128.177   17.701      ?      ? 
1 1 1  -11   24   19 f  115.130   16.501  242.522   67.145   0.0000   0.0000  242.522   67.145  ?   ?   115.130   16.501      ?      ? 
1 1 1  -11   24   21 o  265.599   14.549  1340.45  128.995  1275.89  218.016  1375.23  160.010  257.821   23.925  273.376   16.560 -15.55573 29.09710 
1 1 1  -11   24   23 o  132.717   16.373  348.348   73.949  278.400  104.540  418.404  104.620  116.778   25.996  148.655   19.912 -31.87679 32.74606 
1 1 1  -11   24   25 o   63.478   14.031   77.877   34.952   79.535   49.405   76.217   49.454   64.042   19.809   62.914   19.875 1.127998 28.06106 
1 1 1  -11   24   27 o   58.328   11.649   66.222   26.809   34.370   39.163   94.309   36.776   46.898   17.540   69.759   15.334 -22.86166 23.29774 
1 1 1  -11   25    2 o  235.786   16.940  1043.11  140.718  1054.19  192.310  1030.35  206.453  237.724   22.888  233.848   24.979 3.875961 33.87904 
1 1 1  -11   25    4 o  115.240   13.176  251.092   50.383  228.112   80.511  265.884   64.594  109.266   21.613  121.215   15.077 -11.94860 26.35217 
1 1 1  -11   25    6 o  223.202   16.450  905.784  129.772   0.0000   0.0000  905.784  129.772  ?   ?   223.202   16.450      ?      ? 
1 1 1  -11   25    8 o   61.212   12.000   70.426   26.726   68.839   40.747   71.625   35.406   60.756   17.818   61.668   16.079 -0.9116859 24.00001 
1 1 1  -11   25   10 o   82.342   12.472  136.011   35.738   79.139   55.334  176.714   46.812   65.689   21.053   98.996   13.379 -33.30710 24.94414 
1 1 1  -11   25   12 o   68.005   14.078   86.716   35.623   92.728   55.254   82.440   46.600   69.977   20.809   66.033   18.966 3.944763 28.15513 
1 1 1  -11   25   14 o   38.098   9.5376   22.907   16.178   17.978   23.423   27.403   22.371   36.163   13.557   40.034   13.419 -3.870819 19.07519 
1 1 1  -11   25   16 o  123.594   16.301  298.012   68.577  307.909   96.974  288.112   96.991  125.898   22.625  121.291   23.473 4.607193 32.60173 
1 1 1  -11   25   18 o   87.924   15.497  152.834   48.274  175.838   68.448  130.068   68.092   94.757   20.991   81.091   22.804 13.66560 30.99370 
1 1 1  -11   25   20 o  202.965   22.945  800.911  164.597   0.0000   0.0000  800.911  164.597  ?   ?   202.965   22.945      ?      ? 
1 1 1  -11   25   22 o   40.787   15.127   25.078   29.009   0.0000   0.0000   25.078   29.009  ?   ?    40.787   15.127      ?      ? 
1 1 1  -11   25   24 o   57.026   18.832   61.621   44.103   0.0000   0.0000   61.621   44.103  ?   ?    57.026   18.832      ?      ? 
1 1 1  -11   26    1 o  183.542   13.689  613.793   85.408  675.693  144.351  580.452  105.941  189.397   21.564  177.686   16.869 11.71062 27.37822 
1 1 1  -11   26    3 o  216.703   17.992  913.346  136.096  1001.59  185.846  811.303  199.854  229.821   22.879  203.585   27.775 26.23602 35.98460 
1 1 1  -11   26    5 o  206.814   13.991  784.840   98.305  843.209  165.469  753.000  122.212  211.300   22.156  202.328   17.090 8.971558 27.98140 
1 1 1  -11   26    7 o  126.490   15.845  308.324   68.777  353.164   97.459  263.838   97.073  137.473   20.058  115.506   24.535 21.96608 31.69052 
1 1 1  -11   26    9 o  106.598   13.763  217.860   49.058  204.535   78.657  226.344   62.760  102.114   22.409  111.082   15.985 -8.968140 27.52603 
1 1 1  -11   26   11 o   18.687   5.6523  -0.3319   6.6368  -0.8305   9.4621   0.1510   9.3113   18.523   7.9768   18.851   8.0102 -0.3286228 11.30451 
1 1 1  -11   26   13 o  136.231   13.116  352.887   60.705  323.780   97.814  371.121   77.418  130.414   21.220  142.047   15.420 -11.63313 26.23152 
1 1 1  -11   26   15 o   88.256   15.693  154.352   48.285  164.622   75.711  147.310   62.689   90.253   23.502   86.258   20.803 3.994621 31.38693 
1 1 1  -11   26   17 o   75.157   14.223  111.235   38.287  120.105   58.120  104.434   50.890   77.586   20.779   72.728   19.429 4.858276 28.44697 
1 1 1  -11   26   19 o  142.296   14.648  406.771   68.175  357.794  109.868  437.437   86.936  131.887   24.470  152.704   16.108 -20.81631 29.29592 
1 1 1  -11   26   21 o  100.273   13.914  202.738   47.361  177.497   73.144  220.960   62.148   92.491   22.573  108.056   16.273 -15.56529 27.82716 
1 1 1  -11   27    2 o  101.035   12.855  199.618   43.360  172.946   68.127  217.780   56.217   93.317   21.145  108.752   14.625 -15.43469 25.70998 
1 1 1  -11   27    4 o  115.389   14.421  252.389   55.854  280.259   91.843  236.032   70.361  118.603   22.737  112.176   17.747 6.426826 28.84290 
1 1 1  -11   27    6 o  125.730   16.125  311.877   70.078  331.382   99.128  292.390   99.082  131.150   21.385  120.311   24.140 10.83914 32.24998 
1 1 1  -11   27    8 o   86.335   13.321  149.319   39.350  119.513   63.367  168.027   50.202   77.284   22.092   95.386   14.891 -18.10229 26.64144 
1 1 1  -11   27   10 o   97.826   14.009  191.630   46.174  162.676   73.764  210.285   59.209   89.337   23.166  106.314   15.757 -16.97728 28.01726 
1 1 1  -11   27   12 o   95.845   13.980  180.782   45.151  187.100   70.795  176.451   58.620   96.503   21.324   95.186   18.085 1.316589 27.96046 
1 1 1  -11   27   14 o  141.893   13.966  390.091   67.329  386.416  110.662  392.252   84.839  139.580   22.431  144.206   16.645 -4.625549 27.93250 
1 1 1  -11   27   16 o   41.750   10.416   29.486   19.137   27.434   28.150   31.248   26.094   41.234   14.965   42.266   14.491 -1.031338 20.83131 
1 1 1  -11   28    1 o  139.612   13.383  383.482   63.001  350.849  102.655  403.200   79.796  132.722   21.884  146.503   15.410 -13.78149 26.76510 
1 1 1  -11   28    3 o   37.164   10.109   17.472   18.922   25.903   27.345   9.7260   26.211   40.382   14.735   33.945   13.844 6.437202 20.21818 
1 1 1  -11   28    5 o  160.328   22.849  516.560  129.481   0.0000   0.0000  516.560  129.481  ?   ?   160.328   22.849      ?      ? 
1 1 1  -11   28    7 o  118.639   14.398  276.823   57.108  289.229   93.178  269.359   72.274  118.427   23.090  118.852   17.205 -0.4255066 28.79543 
1 1 1  -10    0    2 o   45.385   15.507   53.599   40.938   53.599   40.938   53.599   40.938   45.385   21.931   45.385   21.931 -0.000000 0.000000 
1 1 1  -10    0    4 o  671.661   22.434  8057.78  749.349  8057.78  749.349  8057.78  749.349  671.661   31.727  671.661   31.727 -0.000000 0.000000 
1 1 1  -10    0    6 o  1036.22   21.086 19087.69  1090.09 19087.69  1090.09 19087.69  1090.09  1036.22   29.820  1036.22   29.820 -0.000000 0.000000 
1 1 1  -10    0    8 o   63.430   13.387   87.777   36.957   87.777   36.957   87.777   36.957   63.430   18.933   63.430   18.933 -0.000000 0.000000 
1 1 1  -10    0   10 o  323.250   11.820  1862.99  189.814  1862.99  189.814  1862.99  189.814  323.250   16.716  323.250   16.716 -0.000000 0.000000 
1 1 1  -10    0   12 o  687.224   15.964  8385.55  547.036  8385.55  547.036  8385.55  547.036  687.224   22.577  687.224   22.577 -0.000000 0.000000 
1 1 1  -10    0   14 o   30.946   10.808   24.903   20.057   24.903   20.057   24.903   20.057   30.946   15.284   30.946   15.284 -0.000000 0.000000 
1 1 1  -10    0   16 o  1520.42   28.915 41132.86  2193.91 41132.86  2193.91 41132.86  2193.91  1520.42   40.893  1520.42   40.893 -0.000000 0.000000 
1 1 1  -10    0   18 o  719.951   16.365  9203.01  587.537  9203.01  587.537  9203.01  587.537  719.951   23.144  719.951   23.144 -0.000000 0.000000 
1 1 1  -10    0   22 o  337.884   12.062  2035.26  202.530  2035.26  202.530  2035.26  202.530  337.884   17.058  337.884   17.058 -0.000000 0.000000 
1 1 1  -10    0   26 f  956.811   28.391 16434.78  1352.40 16434.78  1352.40 16434.78  1352.40  956.811   40.152  956.811   40.152 -0.000000 0.000000 
1 1 1  -10    0   28 o  618.534   21.545  6871.40  662.419  6871.40  662.419  6871.40  662.419  618.534   30.469  618.534   30.469 -0.000000 0.000000 
1 1 1  -10    0   32 o  205.798   16.375  783.256  162.957  783.256  162.957  783.256  162.957  205.798   23.157  205.798   23.157 -0.000000 0.000000 
1 1 1  -10    0   34 o  139.195   17.481  376.837  110.184  376.837  110.184  376.837  110.184  139.195   24.721  139.195   24.721 -0.000000 0.000000 
1 1 1  -10    0   36 o   36.027   13.844   32.638   35.152   32.638   35.152   32.638   35.152   36.027   19.579   36.027   19.579 -0.000000 0.000000 
1 1 1  -10    0   38 o  533.968   20.274  5192.50  537.545  5192.50  537.545  5192.50  537.545  533.968   28.671  533.968   28.671 -0.000000 0.000000 
1 1 1  -10    0   40 o  344.048   17.476  2163.41  296.971  2163.41  296.971  2163.41  296.971  344.048   24.715  344.048   24.715 -0.000000 0.000000 
1 1 1  -10    0   42 o   60.775   13.409   82.457   35.716   82.457   35.716   82.457   35.716   60.775   18.963   60.775   18.963 -0.000000 0.000000 
1 1 1  -10    0   44 o  453.347   12.741  3705.38  287.683  3705.38  287.683  3705.38  287.683  453.347   18.019  453.347   18.019 -0.000000 0.000000 
1 1 1  -10    0   46 o   4.4308   2.2834  -6.8374   2.9695  -6.8374   2.9695  -6.8374   2.9695   4.4308   3.2292   4.4308   3.2292 -0.000000 0.000000 
1 1 1  -10    1    1 o  319.265   16.592  1808.97  187.212  1783.78  264.789  1834.14  264.728  317.033   23.631  321.496   23.297 -4.462860 33.18379 
1 1 1  -10    1    3 o  390.298   17.524  2705.42  241.719  2667.72  341.874  2743.11  341.809  387.565   24.958  393.031   24.606 -5.465546 35.04742 
1 1 1  -10    1    5 o  420.456   15.838  3205.78  219.221  3338.54  268.520  2940.43  379.617  434.120   17.500  406.791   26.403 27.32928 31.67622 
1 1 1  -10    1    7 f  232.444   11.055  956.592   90.815  972.289  128.446  940.902  128.417  234.355   15.507  230.534   15.760 3.820313 22.11008 
1 1 1  -10    1    9 o  140.410   10.491  349.081   52.023  364.722   73.595  333.460   73.548  143.559   14.504  137.260   15.160 6.299240 20.98110 
1 1 1  -10    1   11 o  1008.46   20.615 18065.94  734.735 18296.07  1039.09 17835.82  1039.06  1014.91   28.967  1002.00   29.339 12.91260 41.22959 
1 1 1  -10    1   13 o  519.203   13.719  4774.22  251.764  4780.45  356.062  4768.00  356.035  519.543   19.390  518.864   19.414 0.6782227 27.43887 
1 1 1  -10    1   15 o  474.040   13.225  3978.98  221.575  3962.24  313.353  3995.71  313.357  473.041   18.742  475.039   18.663 -1.997864 26.44962 
1 1 1  -10    1   17 o  1222.43   29.596 26757.88  1202.97 26922.98  1473.34 26427.68  2083.60  1230.22   33.884  1214.65   48.534 15.56738 59.19184 
1 1 1  -10    1   19 o  526.339   17.222  4982.01  299.823  4718.79  519.235  5113.68  367.233  515.397   28.504  537.281   19.338 -21.88397 34.44468 
1 1 1  -10    1   21 o  838.991   21.901 12446.19  613.992 12778.58  1063.60 12280.06  751.933  846.398   35.554  831.584   25.583 14.81378 43.80143 
1 1 1  -10    1   23 o  125.263   14.047  293.021   55.723  255.814   96.772  311.477   68.156  117.892   24.039  132.635   14.539 -14.74281 28.09392 
1 1 1  -10    1   25 o  1298.22   31.208 30378.72  1349.78 30626.75  2338.04 30254.73  1653.08  1297.50   50.983  1298.93   36.007 -1.435303 62.41611 
1 1 1  -10    1   27 o  1016.83   29.931 18800.46  1075.69 18713.94  1521.32 18886.96  1521.19  1014.42   42.431  1019.24   42.227 -4.816833 59.86208 
1 1 1  -10    1   29 o  670.524   22.467  8144.67  531.937  8547.07  752.399  7742.55  752.146  687.495   30.964  653.554   32.561 33.94147 44.93337 
1 1 1  -10    1   31 o  375.673   17.505  2544.10  232.415  2513.11  328.713  2575.07  328.655  373.339   24.911  378.007   24.599 -4.668030 35.00976 
1 1 1  -10    1   33 o  666.094   22.781  8166.16  536.269  8037.04  758.477  8295.23  758.321  660.608   32.485  671.581   31.947 -10.97272 45.56189 
1 1 1  -10    1   35 o  318.752   23.804  1842.84  268.177   0.0000   0.0000  1842.84  268.177  ?   ?   318.752   23.804      ?      ? 
1 1 1  -10    1   37 o  293.584   23.445  1566.44  243.275  1566.44  243.275   0.0000   0.0000  293.584   23.445  ?   ?       ?      ? 
1 1 1  -10    1   39 o  246.070   22.791  1102.22  198.215  1102.22  198.215   0.0000   0.0000  246.070   22.791  ?   ?       ?      ? 
1 1 1  -10    1   41 o  417.312   14.619  3156.57  203.181  3200.91  352.411  3134.50  248.673  417.515   23.881  417.108   16.868 0.4068909 29.23759 
1 1 1  -10    1   43 o  309.077   11.827  1728.70  129.148  1674.46  182.626  1782.97  182.660  304.111   16.991  314.042   16.456 -9.931061 23.65367 
1 1 1  -10    1   45 o  261.583   11.422  1244.63  105.581  1273.11  149.268  1216.11  149.360  264.668   15.957  258.498   16.348 6.170319 22.84437 
1 1 1  -10    1   47 f  232.256   16.216  994.099  133.120   0.0000   0.0000  994.099  133.120  ?   ?   232.256   16.216      ?      ? 
1 1 1  -10    2    2 o  528.581   13.908  4951.96  259.822  5020.49  367.460  4883.44  367.426  532.250   19.533  524.914   19.804 7.335999 27.81660 
1 1 1  -10    2    4 o  734.436   16.570  9573.36  429.978  9857.22  608.111  9289.56  608.050  745.370   23.083  723.502   23.778 21.86792 33.13945 
1 1 1  -10    2    6 o  275.664   11.372  1345.51  110.789  1368.85  156.707  1322.19  156.653  278.058   15.945  273.270   16.219 4.788727 22.74448 
1 1 1  -10    2    8 o  359.651   12.038  2290.37  153.025  2307.81  216.422  2272.93  216.399  361.023   16.961  358.279   17.089 2.743622 24.07696 
1 1 1  -10    2   10 o  1029.91   20.956 18850.08  762.608 19358.86  1078.52 18341.37  1078.46  1043.89   29.232  1015.94   30.034 27.95148 41.91122 
1 1 1  -10    2   12 o  319.436   11.790  1806.41  133.086  1849.68  188.230  1763.16  188.193  323.267   16.474  315.605   16.871 7.662354 23.58035 
1 1 1  -10    2   14 o  405.023   12.563  2904.19  179.833  2881.46  254.333  2926.92  254.313  403.435   17.836  406.611   17.696 -3.175537 25.12523 
1 1 1  -10    2   16 o  643.550   18.503  7280.41  398.418  7554.70  690.251  7143.36  487.899  652.172   29.945  634.929   21.741 17.24316 37.00523 
1 1 1  -10    2   18 o  726.280   20.285  9406.63  489.744  9255.69  848.373  9482.07  599.772  721.265   33.279  731.296   23.205 -10.03143 40.57032 
1 1 1  -10    2   20 o  1327.53   36.672 31726.93  1720.59 32049.34  2433.41 31404.59  2433.16  1334.40   51.595  1320.67   52.126 13.73877 73.34303 
1 1 1  -10    2   22 o  967.183   24.712 16750.43  794.602 16529.54  1376.46 16860.83  973.125  960.746   40.535  973.620   28.279 -12.87421 49.42467 
1 1 1  -10    2   24 o  952.207   28.057 16279.79  943.935 16773.64  1335.09 15786.19  1334.76  966.875   39.068  937.539   40.280 29.33636 56.11425 
1 1 1  -10    2   26 o  854.057   22.746 13156.99  644.580 12827.82  1116.66 13321.48  789.372  843.863   37.439  864.250   25.842 -20.38763 45.49167 
1 1 1  -10    2   28 o  501.281   16.727  4497.28  278.975  4475.23  483.469  4508.28  341.578  499.387   27.391  503.175   19.207 -3.788208 33.45408 
1 1 1  -10    2   30 o  791.094   25.100 11472.59  701.417 11912.40  992.136 11033.11  991.770  806.812   34.792  775.376   36.189 31.43665 50.20094 
1 1 1  -10    2   32 o  606.653   21.485  6724.04  460.682  6739.54  651.647  6708.57  651.358  607.370   30.356  605.935   30.414 1.435120 42.97060 
1 1 1  -10    2   34 o  553.915   20.592  5623.85  403.144  5584.55  570.267  5663.11  569.995  551.904   29.234  555.927   29.009 -4.022644 41.18470 
1 1 1  -10    2   36 o  355.943   17.294  2305.86  217.460  2388.42  307.773  2223.56  307.297  362.486   24.023  349.399   24.884 13.08740 34.58732 
1 1 1  -10    2   38 o   90.581   11.420  147.227   33.357  156.642   59.361  142.881   40.326   91.639   18.953   89.523   12.745 2.116356 22.83940 
1 1 1  -10    2   40 o  287.314   12.375  1438.25  119.858  1650.06  208.460  1333.65  146.495  301.918   19.535  272.711   15.198 29.20636 24.75098 
1 1 1  -10    2   42 f  507.150   16.263  4695.95  274.994  4825.74  477.000  4631.34  336.552  509.146   26.507  505.153   18.850 3.992920 32.52576 
1 1 1  -10    2   44 o  275.179   14.698  1366.42  142.952   0.0000   0.0000  1366.42  142.952  ?   ?   275.179   14.698      ?      ? 
1 1 1  -10    2   46 o  177.287   11.205  574.607   70.159  550.528   99.299  598.608   99.141  173.446   16.198  181.129   15.486 -7.682602 22.40982 
1 1 1  -10    3    1 o  808.757   17.708 11608.54  506.184 11661.78  715.853 11555.30  715.851  810.620   24.985  806.895   25.101 3.725159 35.41629 
1 1 1  -10    3    3 o  184.436   10.789  602.138   70.326  609.318   99.476  594.965   99.438  185.536   15.169  183.335   15.346 2.201675 21.57773 
1 1 1  -10    3    5 o  658.617   15.532  7691.20  361.550  7656.14  511.323  7726.25  511.294  657.110   22.016  660.123   21.914 -3.012085 31.06338 
1 1 1  -10    3    7 o  418.111   12.499  3096.54  184.641  3197.02  261.156  2996.12  261.089  424.908   17.389  411.314   17.960 13.59430 24.99871 
1 1 1  -10    3    9 o  897.441   19.024 14299.10  603.281 14683.70  853.200 13914.56  853.135  909.565   26.540  885.317   27.265 24.24792 38.04886 
1 1 1  -10    3   11 o  645.346   15.174  7381.86  345.944  7637.71  489.285  7126.10  489.191  656.560   21.085  634.131   21.826 22.42963 30.34716 
1 1 1  -10    3   13 o  686.065   19.196  8280.58  440.537  8573.88  763.233  8134.05  539.474  694.658   31.086  677.472   22.530 17.18542 38.39193 
1 1 1  -10    3   15 o  271.776   13.485  1280.60  123.224  1395.56  213.636  1223.29  150.845  280.648   21.537  262.904   16.234 17.74423 26.97005 
1 1 1  -10    3   17 o  987.243   24.491 17231.11  807.995 17703.73  1399.72 16994.91  989.508  996.218   39.753  978.269   28.618 17.94879 48.98229 
1 1 1  -10    3   19 o  1049.79   42.732 19714.62  1585.52   0.0000   0.0000 19714.62  1585.52  ?   ?   1049.79   42.732      ?      ? 
1 1 1  -10    3   21 o  895.534   26.826 14332.03  849.077 14447.56  1200.94 14216.56  1200.61  899.182   37.788  891.886   38.087 7.295593 53.65191 
1 1 1  -10    3   23 f  1237.68   29.529 27310.35  1221.37 28179.04  2115.77 26876.19  1495.77  1249.10   47.924  1226.25   34.512 22.85522 59.05703 
1 1 1  -10    3   25 o  1198.50   33.596 25736.43  1423.14   0.0000   0.0000 25736.43  1423.14  ?   ?   1198.50   33.596      ?      ? 
1 1 1  -10    3   27 o  209.819   13.632  789.497   94.746  764.484  164.535  801.905  115.888  207.066   22.482  212.572   15.425 -5.505646 27.26424 
1 1 1  -10    3   29 o  668.831   19.623  8097.78  435.798  7963.65  755.116  8164.77  533.639  662.345   32.256  675.317   22.357 -12.97253 39.24656 
1 1 1  -10    3   31 o  706.615   23.269  9155.35  580.376  9679.40  821.048  8632.00  820.503  727.575   31.928  685.654   33.857 41.92120 46.53731 
1 1 1  -10    3   33 o  1064.89   32.619 21797.99  1227.66 21617.00  1736.38 21978.89  1735.96  1060.07   46.344  1069.70   45.915 -9.637451 65.23760 
1 1 1  -10    3   35 o  843.357   27.092 13445.87  807.436 13211.70  1142.10 13679.86  1141.68  835.493   38.676  851.221   37.947 -15.72791 54.18319 
1 1 1  -10    3   37 o  166.088   14.309  492.725   83.997   0.0000   0.0000  492.725   83.997  ?   ?   166.088   14.309      ?      ? 
1 1 1  -10    3   39 f  621.389   19.713  7349.22  399.554  6543.47  692.624  7751.09  489.149  589.247   33.257  653.532   21.176 -64.28540 39.42662 
1 1 1  -10    3   41 f  475.436   16.236  4152.49  256.078  4109.72  444.356  4173.76  313.344  470.599   26.715  480.273   18.459 -9.674194 32.47225 
1 1 1  -10    3   43 o  173.980   15.787  546.606   97.077   0.0000   0.0000  546.606   97.077  ?   ?   173.980   15.787      ?      ? 
1 1 1  -10    3   45 o  104.999   15.886  217.493   53.553  189.581   98.466  229.218   63.818   97.788   27.395  112.210   16.091 -14.42142 31.77123 
1 1 1  -10    3   47 o  190.167   16.804  670.071  112.946   0.0000   0.0000  670.071  112.946  ?   ?   190.167   16.804      ?      ? 
1 1 1  -10    4    2 o  829.930   22.330 12443.17  612.162 11693.03  1060.14 12818.42  749.799  809.881   37.036  849.979   24.958 -40.09827 44.66048 
1 1 1  -10    4    4 o  803.273   17.719 11449.18  503.042 11563.59  711.415 11334.77  711.402  807.302   24.933  799.243   25.183 8.059570 35.43784 
1 1 1  -10    4    6 o  638.860   15.313  7234.14  345.760  7292.69  488.994  7175.59  488.963  641.453   21.568  636.267   21.743 5.186035 30.62593 
1 1 1  -10    4    8 o  632.444   18.580  7088.81  391.675  7125.75  678.582  7070.36  479.638  633.244   30.319  631.645   21.484 1.599243 37.15913 
1 1 1  -10    4   10 o  918.453   23.694 15032.86  724.154 14919.29  1254.47 15089.61  886.833  914.835   38.797  922.070   27.212 -7.234924 47.38866 
1 1 1  -10    4   12 o  1230.21   28.848 26668.04  1188.89 28016.85  2059.48 25993.91  1455.98  1251.53   46.558  1208.88   34.076 42.65674 57.69629 
1 1 1  -10    4   14 o  693.227   18.515  8296.38  432.644  9275.73  749.670  7807.30  529.769  722.736   29.347  663.718   22.583 59.01837 37.03064 
1 1 1  -10    4   16 o  1287.78   30.053 29249.02  1296.65 30777.56  2246.16 28485.05  1587.95  1310.66   48.487  1264.91   35.519 45.75391 60.10514 
1 1 1  -10    4   18 o  1042.16   42.477 19420.74  1564.59   0.0000   0.0000 19420.74  1564.59  ?   ?   1042.16   42.477      ?      ? 
1 1 1  -10    4   20 o  309.289   13.878  1672.71  143.797  1766.02  249.495  1626.30  175.963  315.526   22.372  303.051   16.428 12.47589 27.75592 
1 1 1  -10    4   22 o  524.470   19.647  4895.02  364.190  4862.15  515.256  4927.84  514.830  522.697   27.890  526.243   27.679 -3.546326 39.29400 
1 1 1  -10    4   24 o  577.637   16.987  5796.61  330.223  6381.80  572.405  5504.69  404.283  598.480   27.060  556.795   20.543 41.68457 33.97486 
1 1 1  -10    4   26 o  963.106   25.224 16899.86  803.748 16189.18  1392.43 17254.97  984.281  944.280   41.721  981.932   28.361 -37.65186 50.44754 
1 1 1  -10    4   28 f  485.957   16.921  4288.37  271.624  4057.26  470.800  4403.68  332.553  474.804   28.054  497.110   18.927 -22.30658 33.84221 
1 1 1  -10    4   30 o  365.022   17.222  2376.81  222.185   0.0000   0.0000  2376.81  222.185  ?   ?   365.022   17.222      ?      ? 
1 1 1  -10    4   32 o  879.103   38.996 14462.40  1211.66   0.0000   0.0000 14462.40  1211.66  ?   ?   879.103   38.996      ?      ? 
1 1 1  -10    4   34 o  891.182   39.791 15044.45  1253.35   0.0000   0.0000 15044.45  1253.35  ?   ?   891.182   39.791      ?      ? 
1 1 1  -10    4   36 o  134.529   10.546  292.884   47.378  426.155   86.090  234.987   56.743  154.315   15.784  114.744   13.992 39.57134 21.09280 
1 1 1  -10    4   38 o  237.614   13.261  988.643  105.573  1107.44  185.207  931.463  128.492  247.256   21.193  227.972   15.947 19.28358 26.52246 
1 1 1  -10    4   40 o  503.796   19.341  4709.28  343.899  5004.98  487.753  4416.98  484.954  520.235   26.526  487.356   28.154 32.87915 38.68174 
1 1 1  -10    4   42 o  211.976   14.230  821.588   98.917  814.590  175.552  824.844  119.734  210.046   23.647  213.906   15.837 -3.860153 28.46014 
1 1 1  -10    4   44 o  211.665   14.384  827.124   99.773  820.597  177.085  830.160  120.765  209.390   23.928  213.941   15.971 -4.551453 28.76828 
1 1 1  -10    4   46 o   93.226   17.354  164.816   55.077   0.0000   0.0000  164.816   55.077  ?   ?    93.226   17.354      ?      ? 
1 1 1  -10    4   48 o   37.225   13.993   19.723   24.986   0.0000   0.0000   19.723   24.986  ?   ?    37.225   13.993      ?      ? 
1 1 1  -10    5    1 o  501.139   16.654  4496.65  276.599  4324.41  479.212  4582.70  338.717  493.577   27.470  508.700   18.839 -15.12357 33.30891 
1 1 1  -10    5    3 o  915.931   24.315 15159.81  735.664 14268.50  1274.35 15605.32  900.948  894.224   40.320  937.638   27.186 -43.41370 48.62923 
1 1 1  -10    5    5 o  669.157   19.089  7905.40  426.597  8075.31  739.138  7820.53  522.384  674.059   31.025  664.256   22.250 9.802124 38.17859 
1 1 1  -10    5    7 o  806.912   22.183 11711.11  592.467 11170.13  1026.34 11981.47  725.566  791.923   36.668  821.900   24.977 -29.97711 44.36647 
1 1 1  -10    5    9 f  480.801   16.597  4148.53  264.102  3952.07  457.573  4246.67  323.410  471.884   27.435  489.718   18.685 -17.83466 33.19336 
1 1 1  -10    5   11 o  455.827   15.481  3627.61  236.697  3851.79  410.182  3515.69  289.819  466.050   24.901  445.603   18.402 20.44687 30.96295 
1 1 1  -10    5   13 o  406.691   17.830  2928.17  256.299   0.0000   0.0000  2928.17  256.299  ?   ?   406.691   17.830      ?      ? 
1 1 1  -10    5   15 o  917.037   38.545 14991.35  1249.32   0.0000   0.0000 14991.35  1249.32  ?   ?   917.037   38.545      ?      ? 
1 1 1  -10    5   17 f  365.952   17.376  2371.31  224.749   0.0000   0.0000  2371.31  224.749  ?   ?   365.952   17.376      ?      ? 
1 1 1  -10    5   19 o  240.206   15.920  1024.27  135.020  972.002  191.237  1076.23  190.658  234.066   23.116  246.345   21.897 -12.27899 31.84093 
1 1 1  -10    5   21 o  917.316   27.260 15061.54  883.696 15374.41  1249.97 14748.91  1249.50  926.960   38.152  907.672   38.948 19.28809 54.52100 
1 1 1  -10    5   23 o  835.577   25.428 12512.48  750.394 13066.28  1061.53 11959.33  1060.90  854.315   35.156  816.840   36.747 37.47516 50.85510 
1 1 1  -10    5   25 o  313.197   16.551  1747.19  183.208  1765.64  259.505  1728.85  258.686  314.855   23.319  311.539   23.493 3.316345 33.10154 
1 1 1  -10    5   27 o  631.508   30.722  7188.98  685.734   0.0000   0.0000  7188.98  685.734  ?   ?   631.508   30.722      ?      ? 
1 1 1  -10    5   29 o  230.879   15.585  956.448  126.943  1026.30  179.985  887.303  179.067  239.388   21.272  222.371   22.783 17.01688 31.17037 
1 1 1  -10    5   31 o  198.735   15.169  711.134  106.092  790.842  150.740  632.895  149.344  209.962   20.313  187.507   22.535 22.45531 30.33828 
1 1 1  -10    5   33 o  230.260   13.881  965.825  105.349  915.003  183.332  990.880  128.725  224.952   23.058  235.567   15.461 -10.61478 27.76183 
1 1 1  -10    5   35 o  283.951   13.114  1436.92  131.612   0.0000   0.0000  1436.92  131.612  ?   ?   283.951   13.114      ?      ? 
1 1 1  -10    5   37 o  348.353   13.015  2064.54  153.373  2602.28  268.073  1802.86  187.003  379.675   19.977  317.031   16.689 62.64410 26.03041 
1 1 1  -10    5   39 o  242.721   13.750  1065.92  110.182  1065.34  193.764  1066.19  133.947  241.658   22.686  243.784   15.546 -2.125702 27.50095 
1 1 1  -10    5   41 o   48.113   12.432   33.390   22.005   29.403   56.533   34.102   23.889   52.357   20.677   43.870   13.808 8.486988 24.86404 
1 1 1  -10    5   43 o  192.875   14.756  670.838  100.593   0.0000   0.0000  670.838  100.593  ?   ?   192.875   14.756      ?      ? 
1 1 1  -10    5   45 f  383.088   25.913  2814.82  350.858   0.0000   0.0000  2814.82  350.858  ?   ?   383.088   25.913      ?      ? 
1 1 1  -10    6    2 f  879.596   24.965 14438.41  710.776 11997.71  1231.20 15658.46  870.484  819.733   42.495  939.458   26.216 -119.7247 49.93073 
1 1 1  -10    6    4 o  491.866   17.447  4410.93  281.449  3955.44  487.636  4638.46  344.649  471.945   29.234  511.788   19.053 -39.84329 34.89459 
1 1 1  -10    6    6 o  851.967   22.405 12918.46  635.364 12845.87  1100.71 12954.74  778.078  849.352   36.666  854.582   25.760 -5.229797 44.81073 
1 1 1  -10    6    8 o  1008.65   24.705 17892.44  834.641 18756.16  1445.95 17460.85  1022.11  1025.65   39.887  991.643   29.162 34.00787 49.41087 
1 1 1  -10    6   10 o  1756.41   47.151 55876.30  2927.06 56303.15  4139.57 55449.49  4139.41  1763.29   66.422  1749.54   66.941 13.74927 94.30275 
1 1 1  -10    6   12 o  788.506   24.505 11064.04  682.769 11344.52  965.690 10783.68  965.472  798.567   34.214  778.444   35.091 20.12286 49.00986 
1 1 1  -10    6   14 o  675.796   22.168  8127.17  528.564  8683.16  747.680  7571.70  747.324  699.062   30.261  652.531   32.403 46.53070 44.33601 
1 1 1  -10    6   16 o  1303.42   36.145 30536.87  1665.08 30263.50  2354.89 30810.19  2354.66  1297.48   51.351  1309.35   50.881 -11.86902 72.28931 
1 1 1  -10    6   18 o  1041.04   42.511 19405.78  1564.18 19405.78  1564.18   0.0000   0.0000  1041.04   42.511  ?   ?       ?      ? 
1 1 1  -10    6   20 o  427.914   17.900  3256.47  270.302  3468.62  382.626  3045.12  381.905  441.913   24.497  413.916   26.105 27.99695 35.79927 
1 1 1  -10    6   22 o  744.944   23.761  9919.80  625.608  9962.28  884.963  9877.36  884.525  746.555   33.538  743.333   33.667 3.221313 47.52163 
1 1 1  -10    6   24 o  507.372   19.351  4596.08  347.003  4649.22  491.094  4543.08  490.380  510.328   27.227  504.417   27.506 5.911011 38.70218 
1 1 1  -10    6   26 o  325.047   17.031  1891.15  195.283  1760.68  276.554  2020.90  275.792  313.717   24.941  336.377   23.197 -22.66058 34.06149 
1 1 1  -10    6   28 o  522.239   19.980  4929.31  368.579  4742.28  521.580  5115.86  520.920  512.112   28.816  532.366   27.685 -20.25409 39.96017 
1 1 1  -10    6   30 o  516.420   16.282  4744.80  281.307  4975.00  487.990  4630.23  344.264  524.237   26.337  508.603   19.151 15.63452 32.56361 
1 1 1  -10    6   32 o  287.500   15.968  1476.36  162.261   0.0000   0.0000  1476.36  162.261  ?   ?   287.500   15.968      ?      ? 
1 1 1  -10    6   34 o  455.101   14.601  3601.58  224.129  4180.25  390.049  3316.32  273.855  480.333   22.975  429.868   18.025 50.46439 29.20171 
1 1 1  -10    6   36 o  295.124   12.906  1495.75  128.220  1797.94  225.406  1351.20  155.900  315.593   20.208  274.655   16.060 40.93753 25.81219 
1 1 1  -10    6   38 o  124.492   16.729  289.787   70.413  306.243  107.280  277.332   93.329  127.340   24.727  121.645   22.537 5.695480 33.45704 
1 1 1  -10    6   40 o   77.605   21.119  113.362   59.476   0.0000   0.0000  113.362   59.476  ?   ?    77.605   21.119      ?      ? 
1 1 1  -10    6   42 o  434.204   27.074  3543.80  415.495  3543.80  415.495   0.0000   0.0000  434.204   27.074  ?   ?       ?      ? 
1 1 1  -10    6   48 o  178.380   23.897  640.385  150.663   0.0000   0.0000  640.385  150.663  ?   ?   178.380   23.897      ?      ? 
1 1 1  -10    7    1 o  760.036   21.878 10480.80  547.481  9646.26  948.534 10897.72  670.429  736.079   36.459  783.993   24.195 -47.91431 43.75686 
1 1 1  -10    7    3 o  640.501   18.084  7208.12  387.560  7487.34  671.619  7068.72  474.541  649.351   29.263  631.650   21.256 17.70117 36.16833 
1 1 1  -10    7    5 o  758.014   24.032 10229.28  642.938  9603.43  909.289 10855.03  909.214  734.656   35.019  781.373   32.922 -46.71667 48.06414 
1 1 1  -10    7    7 o  597.534   20.833  6341.08  439.908  6467.94  622.246  6214.33  622.002  603.538   29.170  591.530   29.751 12.00751 41.66520 
1 1 1  -10    7    9 o  1832.84   49.100 60982.99  3180.65 61482.04  4498.24 60484.00  4497.99  1840.54   69.148  1825.14   69.727 15.40369 98.20022 
1 1 1  -10    7   11 o  812.182   25.082 11743.66  719.854 11461.32  1018.09 12025.92  1017.96  802.347   35.901  822.016   35.037 -19.66931 50.16462 
1 1 1  -10    7   13 o  393.861   17.597  2751.99  244.933  2704.46  346.468  2799.48  346.307  390.448   25.106  397.275   24.663 -6.827057 35.19368 
1 1 1  -10    7   15 o  593.355   20.743  6258.73  434.885  6432.77  615.210  6084.90  614.832  601.648   28.931  585.062   29.733 16.58569 41.48524 
1 1 1  -10    7   17 o  589.144   29.356  6173.25  611.275  6173.25  611.275   0.0000   0.0000  589.144   29.356  ?   ?       ?      ? 
1 1 1  -10    7   19 o  439.315   25.874  3430.10  401.751  3430.10  401.751   0.0000   0.0000  439.315   25.874  ?   ?       ?      ? 
1 1 1  -10    7   21 f  917.329   27.041 15108.41  875.078 16166.62  1237.93 14051.52  1237.16  949.943   36.871  884.716   39.564 65.22736 54.08105 
1 1 1  -10    7   23 o  410.187   17.539  3000.74  253.815  3218.51  359.765  2784.95  358.137  425.132   23.943  395.242   25.637 29.88995 35.07858 
1 1 1  -10    7   25 o  872.308   37.791 13811.11  1165.14   0.0000   0.0000 13811.11  1165.14  ?   ?   872.308   37.791      ?      ? 
1 1 1  -10    7   27 f  454.400   18.587  3716.57  298.494  3777.19  422.638  3656.23  421.633  458.156   26.100  450.644   26.472 7.511871 37.17447 
1 1 1  -10    7   29 o  224.472   15.164  952.116  109.446  780.196  190.606  1036.68  133.680  207.749   25.958  241.196   15.681 -33.44685 30.32715 
1 1 1  -10    7   31 f  715.100   20.403  9393.84  483.541  9187.46  838.292  9496.74  591.941  704.967   33.644  725.233   23.093 -20.26648 40.80687 
1 1 1  -10    7   33 o  308.974   14.109  1715.82  144.891  1726.30  252.108  1710.66  177.052  308.715   23.105  309.234   16.199 -0.5191650 28.21809 
1 1 1  -10    7   35 o  140.372   15.036  352.274   74.597   0.0000   0.0000  352.274   74.597  ?   ?   140.372   15.036      ?      ? 
1 1 1  -10    7   37 o  352.408   24.525  2269.67  305.473   0.0000   0.0000  2269.67  305.473  ?   ?   352.408   24.525      ?      ? 
1 1 1  -10    7   39 o  139.272   18.806  377.017   88.660  292.761  133.614  443.298  118.508  122.560   30.863  155.985   21.495 -33.42487 37.61107 
1 1 1  -10    7   41 o  196.669   24.422  716.823  169.760  716.823  169.760   0.0000   0.0000  196.669   24.422  ?   ?       ?      ? 
1 1 1  -10    7   43 o  391.576   25.847  2898.99  357.716   0.0000   0.0000  2898.99  357.716  ?   ?   391.576   25.847      ?      ? 
1 1 1  -10    7   45 o  152.888   22.059  442.562  119.204   0.0000   0.0000  442.562  119.204  ?   ?   152.888   22.059      ?      ? 
1 1 1  -10    7   47 f  105.001   23.144  224.098   83.579   0.0000   0.0000  224.098   83.579  ?   ?   105.001   23.144      ?      ? 
1 1 1  -10    8    2 o  764.520   24.155 10411.98  651.308  9634.44  921.090 11189.52  921.086  735.745   35.420  793.295   32.851 -57.54993 48.30922 
1 1 1  -10    8    4 o  969.268   28.441 16756.73  974.170 16415.27  1377.79 17098.09  1377.58  959.301   40.636  979.234   39.803 -19.93286 56.88142 
1 1 1  -10    8    6 o  889.763   26.621 14104.45  837.103 14330.51  1184.01 13878.52  1183.67  896.948   37.348  882.577   37.945 14.37048 53.24220 
1 1 1  -10    8    8 o  1601.03   43.364 46289.02  2453.69 45631.61  3470.16 46946.34  3469.92  1589.41   61.772  1612.65   60.878 -23.23596 86.72899 
1 1 1  -10    8   10 o  803.635   24.862 11497.84  706.166 11555.70  998.820 11440.02  998.518  805.670   35.076  801.599   35.243 4.071167 49.72348 
1 1 1  -10    8   12 o  721.025   23.216  9250.47  591.653  9263.30  836.853  9237.64  836.593  721.528   32.815  720.522   32.851 1.005432 46.43298 
1 1 1  -10    8   14 o  311.555   16.543  1721.89  182.156  1743.01  257.755  1700.81  257.459  313.470   23.264  309.639   23.525 3.830780 33.08567 
1 1 1  -10    8   18 o  445.342   18.341  3526.05  288.645  3605.13  408.464  3447.17  407.947  450.358   25.661  440.326   26.213 10.03174 36.68230 
1 1 1  -10    8   20 o  165.808   15.475  488.228   90.684  490.490  129.008  486.019  127.499  166.185   21.964  165.431   21.806 0.7533112 30.94984 
1 1 1  -10    8   22 o  867.247   26.399 13540.81  809.162 13661.88  1144.68 13419.89  1143.97  871.189   37.175  863.304   37.491 7.884521 52.79769 
1 1 1  -10    8   24 o  1033.13   43.071 19518.21  1572.75 19518.21  1572.75   0.0000   0.0000  1033.13   43.071  ?   ?       ?      ? 
1 1 1  -10    8   26 o  817.375   25.365 12006.28  732.778   0.0000   0.0000 12006.28  732.778  ?   ?   817.375   25.365      ?      ? 
1 1 1  -10    8   28 o  466.405   18.427  3887.81  303.763   0.0000   0.0000  3887.81  303.763  ?   ?   466.405   18.427      ?      ? 
1 1 1  -10    8   30 o  538.981   18.678  5418.79  329.402  4872.35  571.330  5690.88  403.156  515.074   31.383  562.888   20.264 -47.81403 37.35699 
1 1 1  -10    8   32 o  533.509   20.185  5217.95  380.605  5265.44  538.918  5170.69  537.597  535.997   28.447  531.021   28.643 4.976074 40.36941 
1 1 1  -10    8   34 o  370.358   17.734  2501.72  232.107  2485.54  330.311  2517.50  326.226  369.064   25.322  371.653   24.835 -2.589142 35.46801 
1 1 1  -10    8   36 o  515.166   20.749  4922.17  376.795  4543.19  534.272  5297.19  531.477  494.397   30.575  535.935   28.058 -41.53787 41.49778 
1 1 1  -10    8   38 o  396.146   17.257  2826.90  241.619   0.0000   0.0000  2826.90  241.619  ?   ?   396.146   17.257      ?      ? 
1 1 1  -10    8   40 o   78.889   15.542   91.280   40.341  183.991   84.428   63.852   45.922   97.948   24.461   59.830   19.179 38.11786 31.08357 
1 1 1  -10    8   42 o  151.229   21.786  422.920  116.451   0.0000   0.0000  422.920  116.451  ?   ?   151.229   21.786      ?      ? 
1 1 1  -10    8   44 o   62.773   19.529   73.376   47.938   0.0000   0.0000   73.376   47.938  ?   ?    62.773   19.529      ?      ? 
1 1 1  -10    8   46 o  258.471   23.899  1313.76  218.326   0.0000   0.0000  1313.76  218.326  ?   ?   258.471   23.899      ?      ? 
1 1 1  -10    9    1 o  1136.86   32.352 23209.27  1292.97 20473.81  1828.50 25944.97  1828.58  1068.78   48.404  1204.94   42.937 -136.1602 64.70347 
1 1 1  -10    9    3 o  958.258   28.173 16382.48  954.191 16337.25  1349.57 16427.68  1349.29  956.922   39.902  959.594   39.783 -2.671875 56.34609 
1 1 1  -10    9    5 o  696.239   22.789  8625.49  560.286  8199.76  792.402  9051.14  792.326  678.940   33.021  713.537   31.417 -34.59778 45.57897 
1 1 1  -10    9    7 o  753.807   24.015 10123.43  638.828  9475.91  903.529 10770.68  903.348  729.507   35.042  778.106   32.847 -48.59839 48.03010 
1 1 1  -10    9    9 o  724.670   23.523  9361.08  601.047  8617.70  850.127 10104.06  849.890  695.654   34.576  753.686   31.905 -58.03278 47.04652 
1 1 1  -10    9   11 o  275.344   15.765  1357.50  150.952  1642.69  214.113  1075.66  212.849  304.474   19.896  246.214   24.459 58.25990 31.52941 
1 1 1  -10    9   13 o  706.903   22.889  8900.12  571.696  9163.63  808.726  8636.90  808.274  717.442   31.893  696.364   32.840 21.07861 45.77794 
1 1 1  -10    9   15 f  580.443   29.136  5994.51  597.737   0.0000   0.0000  5994.51  597.737  ?   ?   580.443   29.136      ?      ? 
1 1 1  -10    9   17 o  617.499   30.121  6795.94  657.386   0.0000   0.0000  6795.94  657.386  ?   ?   617.499   30.121      ?      ? 
1 1 1  -10    9   19 o  613.098   30.036  6707.81  650.859   0.0000   0.0000  6707.81  650.859  ?   ?   613.098   30.036      ?      ? 
1 1 1  -10    9   21 o  451.066   18.457  3630.14  294.201  3718.51  416.522  3542.16  415.604  456.592   25.810  445.540   26.392 11.05161 36.91480 
1 1 1  -10    9   23 o  265.700   16.518  1254.11  155.119   0.0000   0.0000  1254.11  155.119  ?   ?   265.700   16.518      ?      ? 
1 1 1  -10    9   25 o  745.989   24.065  9984.57  634.513   0.0000   0.0000  9984.57  634.513  ?   ?   745.989   24.065      ?      ? 
1 1 1  -10    9   27 o  1022.00   30.628 19614.65  1105.34 20533.09  1563.61 18697.21  1562.77  1047.40   42.237  996.605   44.366 50.79034 61.25634 
1 1 1  -10    9   29 o  452.716   26.498  3722.10  423.993   0.0000   0.0000  3722.10  423.993  ?   ?   452.716   26.498      ?      ? 
1 1 1  -10    9   33 o  433.901   16.840  3374.55  258.262   0.0000   0.0000  3374.55  258.262  ?   ?   433.901   16.840      ?      ? 
1 1 1  -10    9   35 o  284.537   15.811  1450.26  159.010   0.0000   0.0000  1450.26  159.010  ?   ?   284.537   15.811      ?      ? 
1 1 1  -10    9   37 o  146.647   15.094  400.812   68.136  385.034  126.670  407.236   80.824  142.587   26.096  150.707   15.174 -8.119141 30.18706 
1 1 1  -10    9   39 o  170.762   14.381  530.150   78.669  533.273  145.960  528.871   93.395  170.033   24.287  171.490   15.409 -1.457626 28.76289 
1 1 1  -10    9   41 o  261.668   16.916  1275.33  156.227  1251.55  225.604  1297.24  216.551  258.913   24.653  264.422   23.171 -5.509277 33.83294 
1 1 1  -10    9   43 o  237.854   22.999  1065.04  193.349   0.0000   0.0000  1065.04  193.349  ?   ?   237.854   22.999      ?      ? 
1 1 1  -10    9   45 o  345.966   25.626  2365.80  313.359   0.0000   0.0000  2365.80  313.359  ?   ?   345.966   25.626      ?      ? 
1 1 1  -10    9   47 o   84.632   22.303  147.821   67.652   0.0000   0.0000  147.821   67.652  ?   ?    84.632   22.303      ?      ? 
1 1 1  -10   10    2 o  710.913   23.146  9001.03  581.054  8565.58  821.866  9436.21  821.603  693.588   33.526  728.239   31.920 -34.65131 46.29137 
1 1 1  -10   10    4 o  267.152   16.093  1265.64  151.951  1272.76  215.101  1258.54  214.681  267.904   22.717  266.399   22.800 1.504974 32.18536 
1 1 1  -10   10    6 o  244.543   15.954  1062.44  137.491  969.187  194.385  1155.81  194.499  233.747   23.529  255.339   21.552 -21.59164 31.90722 
1 1 1  -10   10    8 o  476.591   19.150  4059.15  319.578  3426.12  451.987  4691.97  451.915  439.017   29.129  514.165   24.868 -75.14786 38.30006 
1 1 1  -10   10   10 o  842.424   25.663 12663.37  764.020 12902.63  1080.72 12424.32  1080.25  850.454   35.954  834.393   36.630 16.06061 51.32645 
1 1 1  -10   10   12 f  662.576   31.301  7818.04  733.025  7818.04  733.025   0.0000   0.0000  662.576   31.301  ?   ?       ?      ? 
1 1 1  -10   10   14 o  538.528   28.107  5160.06  534.989   0.0000   0.0000  5160.06  534.989  ?   ?   538.528   28.107      ?      ? 
1 1 1  -10   10   16 o  615.860   30.135  6762.64  655.943  6762.64  655.943   0.0000   0.0000  615.860   30.135  ?   ?       ?      ? 
1 1 1  -10   10   18 o  446.574   16.649  3535.79  262.793   0.0000   0.0000  3535.79  262.793  ?   ?   446.574   16.649      ?      ? 
1 1 1  -10   10   20 o  283.424   10.958  1307.22  104.817  1869.42  184.751  1040.37  127.286  324.616   16.103  242.233   14.867 82.38249 21.91634 
1 1 1  -10   10   22 o   65.966   14.700   73.936   38.634   97.887   57.856   54.660   51.902   73.309   21.155   58.622   20.418 14.68680 29.40095 
1 1 1  -10   10   24 o  742.005   23.621 10046.45  616.916 11078.39  873.041  9017.29  871.861  781.286   31.616  702.725   35.103 78.56067 47.24157 
1 1 1  -10   10   26 o  548.218   19.959  5462.93  385.410  5981.73  545.731  4946.69  544.377  574.909   26.857  521.527   29.533 53.38177 39.91847 
1 1 1  -10   10   28 o  257.807   23.041  1199.14  209.954  1199.14  209.954   0.0000   0.0000  257.807   23.041  ?   ?       ?      ? 
1 1 1  -10   10   30 o  515.718   15.541  4608.16  270.981  5471.00  470.713  4180.47  331.405  549.161   24.251  482.274   19.442 66.88608 31.08261 
1 1 1  -10   10   32 o  113.505   14.944  230.217   59.954   0.0000   0.0000  230.217   59.954  ?   ?   113.505   14.944      ?      ? 
1 1 1  -10   10   34 o  654.580   17.408  7519.63  385.079  8854.69  668.474  6856.57  471.096  694.041   27.251  615.119   21.669 78.92188 34.81567 
1 1 1  -10   10   36 o  292.839   12.394  1442.37  122.412  1899.72  216.319  1226.92  148.472  324.286   18.873  261.392   16.071 62.89401 24.78837 
1 1 1  -10   10   38 o  314.686   13.879  1732.04  146.489  2011.60  258.031  1599.08  177.945  331.625   22.014  297.747   16.909 33.87848 27.75867 
1 1 1  -10   10   40 f  233.582   12.435  939.645   97.330  1154.23  173.328  840.820  117.626  251.321   19.513  215.843   15.419 35.47829 24.86937 
1 1 1  -10   10   42 o  250.610   14.962  1172.65  130.110  1452.26  187.286  911.814  180.888  280.898   18.864  220.323   23.229 60.57529 29.92390 
1 1 1  -10   10   44 o  148.924   22.141  424.005  116.539   0.0000   0.0000  424.005  116.539  ?   ?   148.924   22.141      ?      ? 
1 1 1  -10   10   46 o   99.879   23.049  205.066   79.716   0.0000   0.0000  205.066   79.716  ?   ?    99.879   23.049      ?      ? 
1 1 1  -10   11    1 o  799.590   24.893 11411.33  703.026 10933.09  994.266 11889.49  994.191  782.669   35.942  816.511   34.450 -33.84229 49.78585 
1 1 1  -10   11    3 f  310.426   16.553  1710.05  181.618  1711.29  257.021  1708.81  256.673  310.538   23.417  310.314   23.402 0.2244263 33.10633 
1 1 1  -10   11    5 o  955.245   28.294 16333.07  954.360 15519.20  1349.77 17146.69  1349.56  931.142   41.013  979.348   38.989 -48.20587 56.58792 
1 1 1  -10   11    7 o  770.109   24.244 10576.85  659.902 10584.17  933.462 10569.55  933.022  770.376   34.283  769.842   34.290 0.5339355 48.48831 
1 1 1  -10   11    9 f  603.429   21.082  6482.54  449.477  6284.39  635.803  6680.51  635.510  594.141   30.277  612.716   29.346 -18.57495 42.16467 
1 1 1  -10   11   11 o  678.705   22.469  8211.96  538.972  8129.84  762.376  8294.02  762.066  675.282   31.942  682.128   31.609 -6.846680 44.93785 
1 1 1  -10   11   13 o  828.724   21.542 12138.07  596.958 12577.85  1034.77 11918.69  730.836  838.726   34.906  818.722   25.256 20.00372 43.08479 
1 1 1  -10   11   15 o  336.462   16.521  2012.33  196.353  2104.95  279.283  1921.80  276.116  344.151   22.960  328.773   23.762 15.37833 33.04206 
1 1 1  -10   11   17 o  684.706   22.806  8405.00  551.071  7879.69  779.503  8929.84  779.162  663.007   33.264  706.405   31.207 -43.39764 45.61146 
1 1 1  -10   11   19 o  600.818   21.013  6474.45  445.920  6750.48  630.956  6198.99  630.298  613.798   29.084  587.837   30.337 25.96094 42.02608 
1 1 1  -10   11   21 f  542.478   20.107  5292.90  385.505  5349.80  545.528  5236.13  544.844  545.437   28.298  539.520   28.572 5.916748 40.21368 
1 1 1  -10   11   23 o  572.562   20.643  5934.23  417.621  6110.60  591.176  5758.54  590.038  581.247   28.776  563.877   29.606 17.37067 41.28650 
1 1 1  -10   11   25 o  258.398   16.195  1201.01  147.898  1219.35  209.996  1182.95  208.332  260.372   22.819  256.423   22.987 3.949524 32.38979 
1 1 1  -10   11   27 o  183.458   15.701  600.637  101.808   0.0000   0.0000  600.637  101.808  ?   ?   183.458   15.701      ?      ? 
1 1 1  -10   11   29 o  384.443   14.087  2536.92  183.265  3083.11  318.765  2267.25  223.983  413.251   21.824  355.634   17.819 57.61713 28.17479 
1 1 1  -10   11   31 o  823.138   23.047 12817.00  649.340 16350.77  919.735  9305.11  916.882  944.162   27.561  702.115   36.948 242.0474 46.09479 
1 1 1  -10   11   33 o  258.329   15.929  1195.48  145.437   0.0000   0.0000  1195.48  145.437  ?   ?   258.329   15.929      ?      ? 
1 1 1  -10   11   35 o   49.444   11.906   34.655   20.900   55.176   47.164   29.640   23.314   57.269   19.482   41.619   13.690 15.64987 23.81142 
1 1 1  -10   11   37 o  404.057   14.259  2888.00  193.699  3231.56  337.037  2718.56  236.693  419.988   22.705  388.125   17.254 31.86273 28.51700 
1 1 1  -10   11   39 o  293.912   12.675  1524.69  124.790  1710.27  218.935  1435.38  151.877  305.667   20.265  282.157   15.229 23.51013 25.34957 
1 1 1  -10   11   41 o   80.665   13.699  111.865   35.463  158.408   68.220   94.631   41.513   90.633   21.602   70.698   16.852 19.93497 27.39786 
1 1 1  -10   11   43 f  202.436   22.713  782.898  162.514   0.0000   0.0000  782.898  162.514  ?   ?   202.436   22.713      ?      ? 
1 1 1  -10   11   45 o  103.677   23.162  219.567   82.733   0.0000   0.0000  219.567   82.733  ?   ?   103.677   23.162      ?      ? 
1 1 1  -10   12    2 o  646.752   21.844  7457.85  498.979  7783.40  705.733  7132.42  705.594  660.991   30.208  632.514   31.562 28.47711 43.68863 
1 1 1  -10   12    4 o  333.078   17.125  2016.84  194.294  1400.95  274.385  2636.23  275.164  280.615   27.665  385.541   20.193 -104.9253 34.25058 
1 1 1  -10   12    6 o  276.344   16.223  1357.95  158.083  1249.72  223.402  1466.50  223.725  265.248   23.830  287.441   22.021 -22.19312 32.44672 
1 1 1  -10   12    8 o  108.232   13.250  215.547   45.748  200.649   80.445  222.668   55.618  104.320   22.481  112.145   14.032 -7.824272 26.50043 
1 1 1  -10   12   10 o  745.830   21.729 10094.31  534.513  9427.07  926.331 10427.36  654.456  725.720   36.114  765.940   24.175 -40.21942 43.45866 
1 1 1  -10   12   12 o  256.463   14.757  1267.72  119.297  925.974  207.292  1436.95  145.875  228.095   25.713  284.830   14.490 -56.73532 29.51453 
1 1 1  -10   12   16 o  728.241   33.313  9527.33  857.455   0.0000   0.0000  9527.33  857.455  ?   ?   728.241   33.313      ?      ? 
1 1 1  -10   12   18 o  639.108   21.943  7350.83  495.484  7133.79  700.957  7567.57  700.482  629.503   31.505  648.714   30.551 -19.21106 43.88504 
1 1 1  -10   12   20 o  130.559   16.341  345.327   65.520  230.379  115.197  400.294   79.660  111.025   29.029  150.094   15.016 -39.06862 32.68256 
1 1 1  -10   12   22 o  215.025   13.900  868.508   96.265  717.651  167.761  942.566  117.543  199.827   23.753  230.224   14.445 -30.39731 27.80054 
1 1 1  -10   12   24 o  460.384   16.711  3885.32  253.390  3629.67  439.674  4012.46  310.060  447.131   27.821  473.638   18.522 -26.50626 33.42259 
1 1 1  -10   12   26 o  437.961   18.784  3493.56  289.906  3196.18  410.263  3790.16  409.716  418.767   27.718  457.155   25.357 -38.38852 37.56720 
1 1 1  -10   12   28 o  620.427   21.971  6952.97  481.785   0.0000   0.0000  6952.97  481.785  ?   ?   620.427   21.971      ?      ? 
1 1 1  -10   12   30 o  456.840   15.908  3718.84  243.529  3981.67  422.844  3588.40  297.895  467.038   25.616  446.642   18.871 20.39664 31.81608 
1 1 1  -10   12   32 o  205.719   13.932  775.333   93.996  730.667  164.748  796.889  114.451  200.427   23.257  211.012   15.346 -10.58482 27.86335 
1 1 1  -10   12   34 o  144.567   15.526  397.562   70.316  354.577  124.385  417.750   85.243  136.559   26.728  152.575   15.807 -16.01608 31.05213 
1 1 1  -10   12   36 o  196.511   13.481  696.911   87.732  708.829  154.015  691.186  106.743  196.893   22.131  196.129   15.399 0.7647400 26.96142 
1 1 1  -10   12   38 o  177.474   12.920  572.044   75.866  574.079  132.915  571.060   92.395  176.829   21.267  178.119   14.676 -1.289581 25.83930 
1 1 1  -10   12   40 o   68.061   13.664   90.810   34.164   64.324   60.002  103.517   41.558   62.027   21.927   74.095   16.311 -12.06818 27.32817 
1 1 1  -10   12   42 o  188.126   22.466  672.998  149.383   0.0000   0.0000  672.998  149.383  ?   ?   188.126   22.466      ?      ? 
1 1 1  -10   12   44 o  117.145   23.391  278.118   93.460   0.0000   0.0000  278.118   93.460  ?   ?   117.145   23.391      ?      ? 
1 1 1  -10   13    1 o  422.174   18.612  3161.36  277.716   0.0000   0.0000  3161.36  277.716  ?   ?   422.174   18.612      ?      ? 
1 1 1  -10   13    3 o  348.818   12.139  2062.53  143.442  2485.55  248.690  1851.64  175.596  374.341   18.796  323.294   15.367 51.04608 24.27859 
1 1 1  -10   13    5 f  105.019   17.082  211.270   60.708  159.318  105.766  236.797   74.138   94.482   28.944  115.555   18.152 -21.07357 34.16491 
1 1 1  -10   13    7 o  368.243   16.715  2526.60  199.292  2104.85  345.362  2737.15  244.018  343.598   28.438  392.890   17.572 -49.29208 33.42950 
1 1 1  -10   13    9 o  901.030   27.083 14697.42  852.739 12197.79  1205.72 17198.99  1206.19  822.513   41.475  979.548   34.839 -157.0356 54.16582 
1 1 1  -10   13   11 o  772.450   24.413 10714.73  665.799 10143.72  941.504 11285.92  941.660  751.533   35.445  793.367   33.581 -41.83405 48.82682 
1 1 1  -10   13   13 o  266.395   22.977  1263.99  216.345   0.0000   0.0000  1263.99  216.345  ?   ?   266.395   22.977      ?      ? 
1 1 1  -10   13   15 o  900.234   24.240 15381.31  703.276 12597.81  1218.25 16772.58  861.284  831.693   41.443  968.775   25.154 -137.0821 48.47937 
1 1 1  -10   13   17 o  367.340   14.647  2413.64  178.702  2388.47  310.385  2426.11  218.560  365.304   24.040  369.375   16.741 -4.070770 29.29443 
1 1 1  -10   13   19 o  326.552   16.520  2024.17  173.068  1622.86  300.479  2223.40  211.712  299.779   28.359  353.325   16.953 -53.54614 33.04018 
1 1 1  -10   13   21 o  192.394   13.846  707.355   84.713  549.725  147.851  784.394  103.362  174.764   23.936  210.024   13.924 -35.25969 27.69139 
1 1 1  -10   13   23 o  247.528   18.591  1134.41  157.290  814.946  223.349  1448.73  221.546  211.283   29.909  283.774   22.089 -72.49036 37.18128 
1 1 1  -10   13   25 o  960.444   31.116 17660.45  1052.49 16072.61  1488.99 19245.96  1487.90  913.675   46.108  1007.21   41.796 -93.53845 62.23230 
1 1 1  -10   13   27 o  259.141   15.009  1225.52  128.349  1171.58  223.285  1252.14  156.852  253.832   24.888  264.450   16.781 -10.61778 30.01730 
1 1 1  -10   13   29 o  410.909   20.069  3143.02  285.527  2448.53  404.341  3833.78  403.254  363.197   31.498  458.621   24.877 -95.42459 40.13751 
1 1 1  -10   13   31 o  434.842   18.268  3756.09  249.223  2723.97  431.594  4272.41  305.261  382.137   31.955  487.547   17.715 -105.4100 36.53658 
1 1 1  -10   13   33 o  221.485   17.006  1005.79  114.819  644.998  198.940  1186.00  140.600  185.817   30.291  257.152   15.469 -71.33440 34.01265 
1 1 1  -10   13   35 o   48.613   12.361   35.909   25.387   34.888   47.156   36.326   30.126   50.869   19.202   46.356   15.572 4.513119 24.72215 
1 1 1  -10   13   37 o  171.437   13.145  541.164   74.267  516.090  129.277  553.516   90.734  167.499   21.837  175.374   14.638 -7.874756 26.28903 
1 1 1  -10   13   39 o   67.155   13.096   86.756   31.324   73.859   54.285   93.194   38.353   63.963   20.882   70.347   15.810 -6.383949 26.19248 
1 1 1  -10   13   41 o  247.040   15.519  1116.74  135.505   0.0000   0.0000  1116.74  135.505  ?   ?   247.040   15.519      ?      ? 
1 1 1  -10   13   43 o  112.601   23.222  256.284   89.348   0.0000   0.0000  256.284   89.348  ?   ?   112.601   23.222      ?      ? 
1 1 1  -10   14    2 o  700.655   32.443  8801.45  803.425   0.0000   0.0000  8801.45  803.425  ?   ?   700.655   32.443      ?      ? 
1 1 1  -10   14    6 o  108.016   23.286  215.669   86.282   0.0000   0.0000  215.669   86.282  ?   ?   108.016   23.286      ?      ? 
1 1 1  -10   14    8 o  796.815   35.328 11429.31  994.950   0.0000   0.0000 11429.31  994.950  ?   ?   796.815   35.328      ?      ? 
1 1 1  -10   14   10 o  620.956   19.837  7103.60  403.317  6338.49  698.771  7485.81  493.888  593.530   33.310  648.382   21.552 -54.85211 39.67379 
1 1 1  -10   14   12 f  577.555   20.553  5941.45  419.549   0.0000   0.0000  5941.45  419.549  ?   ?   577.555   20.553      ?      ? 
1 1 1  -10   14   14 o  429.384   17.223  3410.80  241.508  2996.94  418.453  3617.52  295.734  408.038   29.015  450.730   18.564 -42.69263 34.44554 
1 1 1  -10   14   16 o  291.544   14.166  1548.08  135.894  1431.95  235.864  1605.78  166.264  282.609   23.613  300.480   15.655 -17.87024 28.33150 
1 1 1  -10   14   18 o  235.859   13.512  1038.86  103.337  873.671  178.971  1121.48  126.567  220.581   22.956  251.136   14.259 -30.55513 27.02393 
1 1 1  -10   14   20 o  393.685   16.787  2889.96  215.421  2522.60  373.343  3073.30  263.757  372.668   28.344  414.703   17.995 -42.03479 33.57401 
1 1 1  -10   14   22 o  347.883   16.848  2361.01  185.134  1747.14  320.532  2668.32  226.788  309.270   29.323  386.497   16.602 -77.22684 33.69686 
1 1 1  -10   14   24 o  350.554   13.517  2173.12  158.844  2311.40  275.398  2104.19  194.448  357.968   21.767  343.141   16.033 14.82706 27.03425 
1 1 1  -10   14   26 o  314.764   16.813  1798.53  186.957  1731.08  263.881  1866.50  264.916  308.695   24.186  320.834   23.362 -12.13913 33.62628 
1 1 1  -10   14   28 o  273.789   15.428  1433.13  135.707  1155.66  234.964  1572.02  166.237  251.239   26.460  296.339   15.872 -45.09946 30.85529 
1 1 1  -10   14   30 o  108.219   17.561  226.360   66.440  279.076   91.103  166.467   97.105  122.354   21.869   94.083   27.482 28.27058 35.12125 
1 1 1  -10   14   32 o  213.691   16.398  836.737  123.336  755.693  175.115  916.513  173.741  203.016   24.405  224.365   21.909 -21.34950 32.79638 
1 1 1  -10   14   34 o  246.405   15.327  1155.69  122.391  980.169  211.814  1243.66  149.958  229.973   26.059  262.836   16.142 -32.86276 30.65362 
1 1 1  -10   14   36 o  160.018   14.196  491.276   73.383  404.762  126.481  535.175   90.098  147.637   24.239  172.400   14.786 -24.76289 28.39286 
1 1 1  -10   14   38 o   45.013   10.956   27.190   20.759   54.116   36.057   13.840   25.388   54.518   16.933   35.507   13.908 19.01064 21.91261 
1 1 1  -10   14   40 o  253.201   15.496  1303.30  123.317  967.987  212.883  1472.64  151.284  222.412   27.081  283.990   15.072 -61.57819 30.99259 
1 1 1  -10   14   42 o  125.831   23.376  318.449  100.135   0.0000   0.0000  318.449  100.135  ?   ?   125.831   23.376      ?      ? 
1 1 1  -10   15    1 o  189.878   15.585  643.261  104.570  649.799  146.775  636.522  149.020  190.881   21.756  188.875   22.323 2.005585 31.17067 
1 1 1  -10   15    3 o  379.620   24.706  2576.20  331.495  2576.20  331.495   0.0000   0.0000  379.620   24.706  ?   ?       ?      ? 
1 1 1  -10   15    5 o  441.032   18.748  3487.22  291.806  3272.11  413.020  3701.62  412.334  427.250   27.351  454.814   25.650 -27.56421 37.49677 
1 1 1  -10   15    7 f  484.118   26.931  4202.04  460.820   0.0000   0.0000  4202.04  460.820  ?   ?   484.118   26.931      ?      ? 
1 1 1  -10   15    9 o  510.994   27.595  4690.63  498.388   0.0000   0.0000  4690.63  498.388  ?   ?   510.994   27.595      ?      ? 
1 1 1  -10   15   11 o  178.042   21.579  566.428  135.794   0.0000   0.0000  566.428  135.794  ?   ?   178.042   21.579      ?      ? 
1 1 1  -10   15   13 o  259.221   22.623  1203.86  207.268   0.0000   0.0000  1203.86  207.268  ?   ?   259.221   22.623      ?      ? 
1 1 1  -10   15   15 o  245.320   13.448  1066.11  110.284  1103.32  191.166  1047.55  135.017  248.082   21.802  242.557   15.749 5.525284 26.89527 
1 1 1  -10   15   17 o  110.418   10.562  213.288   39.313  229.598   67.585  204.947   48.330  113.440   16.856  107.397   12.732 6.043259 21.12455 
1 1 1  -10   15   19 o  545.426   16.748  5363.91  304.137  5378.15  526.818  5356.79  372.478  544.075   27.396  546.777   19.274 -2.702454 33.49635 
1 1 1  -10   15   21 o  517.721   18.470  5120.20  308.130  4200.36  533.355  5581.01  377.502  477.713   31.589  557.729   19.150 -80.01669 36.94007 
1 1 1  -10   15   23 o  203.657   13.243  738.827   95.322   0.0000   0.0000  738.827   95.322  ?   ?   203.657   13.243      ?      ? 
1 1 1  -10   15   25 o   98.960   15.900  183.322   52.098  183.701   89.857  183.130   63.943   98.564   25.574   99.355   18.899 -0.7914352 31.79937 
1 1 1  -10   15   27 o  303.703   16.328  1682.42  173.835  1434.26  244.854  1934.62  246.838  280.429   24.704  326.976   21.359 -46.54715 32.65687 
1 1 1  -10   15   29 o  125.265   15.608  291.350   63.456  284.582  109.203  294.800   77.971  122.438   26.036  128.092   17.222 -5.653603 31.21670 
1 1 1  -10   15   31 o  175.162   11.407  560.511   66.614  522.089  112.840  581.064   82.530  169.964   18.784  180.360   12.947 -10.39565 22.81338 
1 1 1  -10   15   33 o  171.903   15.407  531.311   93.612   0.0000   0.0000  531.311   93.612  ?   ?   171.903   15.407      ?      ? 
1 1 1  -10   15   35 o  100.529   13.809  191.362   45.845  176.061   76.653  199.884   57.205   95.798   22.942  105.260   15.376 -9.462181 27.61787 
1 1 1  -10   15   37 o   70.858   13.769   96.719   35.031   84.429   58.177  103.709   43.877   67.705   21.575   74.012   17.115 -6.307106 27.53882 
1 1 1  -10   15   39 o  245.158   15.243  1146.72  128.525  852.660  180.103  1451.86  183.466  210.729   24.181  279.586   18.566 -68.85655 30.48652 
1 1 1  -10   16    2 o  375.038   14.164  2428.39  179.527  2794.31  310.710  2245.00  219.960  395.084   22.251  354.993   17.531 40.09119 28.32719 
1 1 1  -10   16    4 o  221.008   12.512  836.713   93.681  986.889  161.892  761.110  114.866  235.153   19.478  206.864   15.710 28.28882 25.02454 
1 1 1  -10   16    6 o  179.665   15.403  602.629   90.005  509.303  155.238  649.887  110.467  168.242   26.106  191.087   16.356 -22.84480 30.80663 
1 1 1  -10   16    8 o  141.816   11.596  354.495   55.223  369.544   95.025  346.820   67.858  143.908   18.682  139.723   13.741 4.185516 23.19137 
1 1 1  -10   16   10 o  179.175   15.029  575.461   94.995  618.528  134.755  532.916  133.936  185.927   20.506  172.423   21.978 13.50421 30.05848 
1 1 1  -10   16   12 o  262.847   15.600  1242.60  144.349  1373.42  204.629  1113.02  203.655  276.852   20.912  248.842   23.155 28.00990 31.20082 
1 1 1  -10   16   14 o  167.828   21.533  505.691  127.732   0.0000   0.0000  505.691  127.732  ?   ?   167.828   21.533      ?      ? 
1 1 1  -10   16   16 o  391.613   25.085  2773.75  347.210   0.0000   0.0000  2773.75  347.210  ?   ?   391.613   25.085      ?      ? 
1 1 1  -10   16   18 o  186.351   14.469  618.930   95.302   0.0000   0.0000  618.930   95.302  ?   ?   186.351   14.469      ?      ? 
1 1 1  -10   16   20 o  239.215   16.394  1023.29  138.610   0.0000   0.0000  1023.29  138.610  ?   ?   239.215   16.394      ?      ? 
1 1 1  -10   16   22 o  219.141   15.281  934.454  106.145  696.751  183.177  1054.62  130.240  195.319   26.534  242.964   15.166 -47.64464 30.56283 
1 1 1  -10   16   24 o  240.384   15.738  1116.37  120.855  864.220  208.355  1244.22  148.364  217.117   27.151  263.651   15.921 -46.53345 31.47503 
1 1 1  -10   16   26 o  276.079   15.612  1459.05  138.707  1175.63  239.310  1602.44  170.216  253.108   26.751  299.050   16.104 -45.94212 31.22404 
1 1 1  -10   16   28 o  102.931   14.256  192.570   48.211  217.387   81.763  179.344   59.691  107.484   22.255   98.377   17.823 9.106926 28.51249 
1 1 1  -10   16   30 o  252.035   13.790  1205.92  113.426  990.317  192.090  1321.34  140.544  232.552   23.370  271.517   14.645 -38.96487 27.57988 
1 1 1  -10   16   32 o  160.565   15.540  472.614   88.086  448.158  124.761  496.923  124.384  156.260   22.590  164.871   21.345 -8.610703 31.07910 
1 1 1  -10   16   34 o  120.045   14.771  301.729   55.282  179.933   91.558  371.607   69.350   96.294   26.203  143.797   13.645 -47.50368 29.54268 
1 1 1  -10   16   36 o  147.379   14.905  401.812   73.840  294.516   98.768  537.773  111.181  123.566   23.473  171.193   18.375 -47.62626 29.81003 
1 1 1  -10   16   38 o  253.939   15.199  1226.90  133.624  946.854  186.540  1522.05  191.502  222.121   23.761  285.758   18.961 -63.63622 30.39885 
1 1 1  -10   16   40 o  150.743   22.433  444.563  119.521   0.0000   0.0000  444.563  119.521  ?   ?   150.743   22.433      ?      ? 
1 1 1  -10   17    1 o  218.179   12.868  828.947   94.755  922.234  163.502  781.771  116.271  226.885   20.389  209.473   15.704 17.41209 25.73596 
1 1 1  -10   17    3 o  408.045   15.418  2937.18  211.281  3152.01  365.651  2829.49  258.871  418.155   24.741  397.935   18.406 20.21948 30.83605 
1 1 1  -10   17    5 o  229.079   13.813  919.450  106.533  1003.01  184.071  877.362  130.636  236.354   22.034  221.803   16.664 14.55119 27.62602 
1 1 1  -10   17    7 o  358.216   14.760  2269.28  177.323  2401.00  306.822  2203.21  217.286  365.146   23.774  351.286   17.501 13.86075 29.52057 
1 1 1  -10   17    9 o  157.161   12.062  456.440   62.091  397.104  106.730  486.795   76.339  148.841   20.288  165.480   13.052 -16.63930 24.12396 
1 1 1  -10   17   11 o   99.292   22.031  184.047   75.294   0.0000   0.0000  184.047   75.294  ?   ?    99.292   22.031      ?      ? 
1 1 1  -10   17   13 o  342.798   15.643  2185.56  175.262  1920.57  302.913  2318.91  214.883  325.332   26.343  360.264   16.876 -34.93265 31.28517 
1 1 1  -10   17   15 o  216.517   15.321  846.679  116.701  942.002  165.390  752.160  164.691  228.912   20.442  204.122   22.828 24.78970 30.64260 
1 1 1  -10   17   17 o  376.333   18.005  2579.92  238.652  2339.60  337.730  2819.60  337.281  358.283   26.670  394.384   24.196 -36.10086 36.01056 
1 1 1  -10   17   19 o  153.954   21.474  427.928  116.848   0.0000   0.0000  427.928  116.848  ?   ?   153.954   21.474      ?      ? 
1 1 1  -10   17   21 o  203.959   22.027  752.856  158.786   0.0000   0.0000  752.856  158.786  ?   ?   203.959   22.027      ?      ? 
1 1 1  -10   17   23 o  355.157   24.500  2299.18  307.542   0.0000   0.0000  2299.18  307.542  ?   ?   355.157   24.500      ?      ? 
1 1 1  -10   17   25 o  251.323   16.251  1132.57  144.357   0.0000   0.0000  1132.57  144.357  ?   ?   251.323   16.251      ?      ? 
1 1 1  -10   17   27 o  177.516   15.435  571.808   96.675  528.185  133.192  620.379  140.542  170.310   22.127  184.722   21.526 -14.41232 30.87022 
1 1 1  -10   17   29 o  266.353   16.283  1299.62  153.269  1324.41  216.913  1274.89  216.598  268.976   22.817  263.730   23.237 5.246063 32.56594 
1 1 1  -10   17   31 f  488.196   17.309  4444.98  292.051  3371.53  407.417  5579.60  418.865  424.521   27.153  551.872   21.474 -127.3507 34.61837 
1 1 1  -10   17   33 o  182.593   14.720  608.096   93.549  475.979  126.537  767.352  138.927  160.361   22.325  204.824   19.190 -44.46350 29.43969 
1 1 1  -10   17   35 o  143.838   14.699  376.354   70.126  255.560   91.519  548.131  109.136  114.811   23.348  172.865   17.862 -58.05456 29.39749 
1 1 1  -10   17   37 o  202.749   14.704  845.796   93.103  588.131  158.414  981.759  115.074  173.416   25.846  232.081   14.029 -58.66531 29.40741 
1 1 1  -10   17   39 o   78.989   21.818  125.871   62.927   0.0000   0.0000  125.871   62.927  ?   ?    78.989   21.818      ?      ? 
1 1 1  -10   18    2 o  369.923   14.960  2458.52  184.457  2465.47  318.954  2455.03  226.103  369.261   24.439  370.586   17.262 -1.324829 29.92036 
1 1 1  -10   18    4 o  273.371   13.950  1309.45  128.441  1442.58  222.153  1242.61  157.418  283.023   22.208  263.718   16.889 19.30478 27.90021 
1 1 1  -10   18    6 o  172.464   14.422  532.880   83.106  538.213  143.288  530.177  102.017  172.664   23.480  172.264   16.755 0.3997803 28.84498 
1 1 1  -10   18    8 o  220.894   14.942  882.244  115.286  722.839  161.702  1047.03  164.408  200.164   22.857  241.624   19.251 -41.45972 29.88379 
1 1 1  -10   18   10 o  412.879   17.980  3052.84  262.382   0.0000   0.0000  3052.84  262.382  ?   ?   412.879   17.980      ?      ? 
1 1 1  -10   18   12 o  358.789   14.434  2271.02  174.198  2461.41  301.043  2175.18  213.589  368.992   23.083  348.585   17.336 20.40744 28.86799 
1 1 1  -10   18   14 o   95.938   12.710  162.126   40.228  203.488   68.003  139.858   49.895  104.901   19.043   86.974   16.840 17.92712 25.42030 
1 1 1  -10   18   16 o   96.361   15.035  168.960   48.062  191.582   81.601  156.943   59.472  100.886   23.347   91.836   18.951 9.050232 30.07041 
1 1 1  -10   18   18 o   66.569   12.443   84.284   29.468   68.551   48.363   93.573   37.163   62.108   19.659   71.029   15.258 -8.921665 24.88520 
1 1 1  -10   18   20 o  194.209   15.324  683.098  105.067  722.211  148.964  644.379  148.214  199.867   21.087  188.552   22.240 11.31494 30.64799 
1 1 1  -10   18   22 o  137.766   15.867  352.316   74.427  287.794  105.187  417.007  105.325  123.495   24.957  152.037   19.600 -28.54131 31.73377 
1 1 1  -10   18   24 o   67.390   13.593   82.736   34.958  110.917   49.974   55.732   48.919   76.936   18.586   57.843   19.840 19.09324 27.18594 
1 1 1  -10   18   30 o  203.801   24.753  772.000  178.302   0.0000   0.0000  772.000  178.302  ?   ?   203.801   24.753      ?      ? 
1 1 1  -10   18   32 o   40.860   10.475   23.528   20.027   36.097   28.613   11.457   28.041   45.732   15.172   35.988   14.447 9.744194 20.94992 
1 1 1  -10   18   34 f  173.680   13.840  599.479   77.395  434.365  127.617  695.536   97.338  151.412   23.847  195.949   14.055 -44.53618 27.68023 
1 1 1  -10   18   36 o  225.150   14.851  998.361  109.110  853.148  185.572  1075.09  134.889  208.742   25.153  241.557   15.799 -32.81564 29.70297 
1 1 1  -10   18   38 o  176.385   16.008  582.239   99.797   0.0000   0.0000  582.239   99.797  ?   ?   176.385   16.008      ?      ? 
1 1 1  -10   19    1 o  183.439   12.929  599.062   79.555  617.805  136.772  589.477   97.802  185.178   20.897  181.699   15.229 3.479111 25.85765 
1 1 1  -10   19    3 f  242.098   14.546  1019.71  119.126  1177.33  205.781  940.261  146.095  255.181   22.816  229.015   18.049 26.16600 29.09166 
1 1 1  -10   19    5 o  170.594   13.642  510.657   78.471  563.195  135.397  484.084   96.292  176.682   21.682  164.507   16.561 12.17532 27.28312 
1 1 1  -10   19    7 o  103.044   11.925  203.661   38.968  163.891   66.078  224.868   48.251   93.657   20.528  112.430   12.142 -18.77282 23.85036 
1 1 1  -10   19    9 o  266.073   13.248  1261.17  124.582   0.0000   0.0000  1261.17  124.582  ?   ?   266.073   13.248      ?      ? 
1 1 1  -10   19   11 f  415.885   15.004  3135.36  207.483  3078.72  358.345  3163.93  254.478  411.542   24.636  420.227   17.134 -8.684937 30.00798 
1 1 1  -10   19   13 o  224.350   14.376  920.082  106.926  868.919  183.788  946.260  131.465  218.759   23.770  229.942   16.176 -11.18304 28.75205 
1 1 1  -10   19   15 o  331.283   14.893  1952.51  165.655  2080.03  286.200  1888.26  203.143  338.238   23.940  324.328   17.721 13.90997 29.78552 
1 1 1  -10   19   17 o  158.083   13.191  461.233   69.051  414.300  117.257  486.150   85.437  151.228   21.937  164.939   14.656 -13.71037 26.38245 
1 1 1  -10   19   19 o  122.986   15.696  293.727   61.922  236.996  104.914  324.055   76.708  111.502   26.926  134.470   16.140 -22.96802 31.39223 
1 1 1  -10   19   21 o  319.186   16.687  1857.61  188.134  1769.96  263.712  1948.46  268.475  311.367   23.963  327.006   23.229 -15.63919 33.37355 
1 1 1  -10   19   23 o  320.478   15.507  1878.46  172.884  1482.56  240.716  2300.23  248.456  284.534   23.936  356.422   19.723 -71.88812 31.01470 
1 1 1  -10   19   25 o  337.721   15.226  2102.11  175.989  1489.77  244.331  2762.34  253.706  284.606   24.289  390.836   18.366 -106.2296 30.45132 
1 1 1  -10   19   27 o  300.488   16.786  1666.02  178.178  1603.11  251.997  1728.92  251.965  294.565   24.204  306.412   23.266 -11.84735 33.57294 
1 1 1  -10   19   29 o  212.044   16.046  833.083  119.894  762.651  169.675  903.318  169.438  202.652   23.689  221.435   21.649 -18.78304 32.09138 
1 1 1  -10   19   31 o  128.339   22.924  315.356  100.171   0.0000   0.0000  315.356  100.171  ?   ?   128.339   22.924      ?      ? 
1 1 1  -10   19   33 o  151.448   22.008  432.430  117.807   0.0000   0.0000  432.430  117.807  ?   ?   151.448   22.008      ?      ? 
1 1 1  -10   19   35 o   56.326   18.192   58.720   41.258   0.0000   0.0000   58.720   41.258  ?   ?    56.326   18.192      ?      ? 
1 1 1  -10   19   37 o  104.416   14.313  222.925   49.587  184.177   80.157  246.945   63.112   93.960   24.039  114.871   15.545 -20.91158 28.62691 
1 1 1  -10   20    2 o  303.274   14.508  1622.70  148.188  1778.52  255.947  1544.13  181.749  313.156   23.124  293.392   17.527 19.76376 29.01590 
1 1 1  -10   20    4 o  239.097   13.956  1004.48  112.586  1113.52  194.160  949.238  138.190  248.055   22.146  230.140   16.989 17.91418 27.91162 
1 1 1  -10   20    6 o   88.923   13.901  146.378   41.022  151.232   69.399  143.772   50.858   89.699   22.046   88.146   16.940 1.552971 27.80277 
1 1 1  -10   20    8 o   46.059   11.863   30.346   24.304   35.472   40.352   27.428   30.446   49.119   17.904   42.999   15.570 6.119198 23.72688 
1 1 1  -10   20   10 o  231.135   15.365  974.395  123.798  1158.47  175.376  791.570  174.779  253.581   19.567  208.688   23.696 44.89372 30.73070 
1 1 1  -10   20   12 o  280.224   13.631  1432.21  126.660  1360.80  218.004  1468.59  155.621  273.920   22.518  286.527   15.367 -12.60767 27.26122 
1 1 1  -10   20   14 o  385.086   16.030  2742.35  203.477  2544.28  351.431  2842.24  249.563  372.450   26.696  397.722   17.753 -25.27216 32.06049 
1 1 1  -10   20   16 o  137.283   16.531  362.877   72.595  306.626  123.237  392.768   89.835  126.677   28.245  147.890   17.187 -21.21227 33.06260 
1 1 1  -10   20   18 o   90.429   22.072  154.348   69.928  154.348   69.928   0.0000   0.0000   90.429   22.072  ?   ?       ?      ? 
1 1 1  -10   20   20 o  220.003   18.026  904.427  137.285  1078.24  191.026  718.755  197.433  243.262   22.218  196.745   28.392 46.51604 36.05179 
1 1 1  -10   20   22 o  396.232   18.023  2897.71  252.226  2776.55  356.625  3018.97  356.777  387.580   26.033  404.883   24.931 -17.30273 36.04595 
1 1 1  -10   20   24 o  399.877   16.547  3062.66  214.795  2595.86  370.039  3299.87  263.784  372.461   28.109  427.293   17.466 -54.83157 33.09371 
1 1 1  -10   20   26 f  222.648   14.286  918.536  106.666  865.167  178.731  948.059  132.935  216.290   23.380  229.006   16.424 -12.71617 28.57209 
1 1 1  -10   20   28 o  209.682   14.267  845.605   98.255  689.716  163.532  933.672  122.914  192.125   24.082  227.238   15.304 -35.11314 28.53353 
1 1 1  -10   20   30 o  203.123   13.688  807.979   90.503  615.845  149.280  919.640  113.802  180.864   23.352  225.382   14.286 -44.51848 27.37553 
1 1 1  -10   20   32 o   15.181   4.3985  -0.9704   4.4045 -11.2983   7.2759   5.0035   5.5336   11.967   5.7689   18.395   6.6414 -6.427976 8.797092 
1 1 1  -10   20   34 o   44.718   10.929   30.771   22.493   8.6119   31.808   52.933   31.811   36.496   15.106   52.939   15.799 -16.44355 21.85868 
1 1 1  -10   20   36 o   94.266   23.032  184.751   76.085   0.0000   0.0000  184.751   76.085  ?   ?    94.266   23.032      ?      ? 
1 1 1  -10   21    1 o  186.849   12.939  605.460   82.285  711.098  140.449  550.250  101.536  198.490   20.020  175.207   16.396 23.28307 25.87723 
1 1 1  -10   21    3 o  103.169   12.239  181.642   42.307  244.574   72.257  148.813   52.188  116.697   17.519   89.641   17.096 27.05646 24.47809 
1 1 1  -10   21    5 o  113.935   13.979  247.133   51.210  211.564   86.784  266.134   63.430  105.850   23.777  122.019   14.708 -16.16844 27.95862 
1 1 1  -10   21    7 o  208.291   13.576  786.614   94.198  766.879  161.831  796.727  115.846  205.609   22.269  210.974   15.536 -5.364807 27.15259 
1 1 1  -10   21    9 o   54.429   17.991   50.893   40.247   0.0000   0.0000   50.893   40.247  ?   ?    54.429   17.991      ?      ? 
1 1 1  -10   21   11 o   87.664   15.537  145.138   48.824  108.350   69.267  181.465   68.831   76.857   23.399   98.471   20.446 -21.61482 31.07334 
1 1 1  -10   21   13 o  204.180   15.583  756.002  112.361  717.484  155.695  797.865  162.316  198.728   22.166  209.631   21.907 -10.90286 31.16524 
1 1 1  -10   21   15 o  547.717   21.234  5596.64  410.672  5838.65  579.204  5351.97  582.365  560.369   29.244  535.065   30.794 25.30371 42.46759 
1 1 1  -10   21   17 o  205.783   14.361  763.935   99.361  781.833  169.504  754.566  122.642  206.806   23.190  204.761   16.946 2.044388 28.72177 
1 1 1  -10   21   19 f   95.665   12.794  181.265   40.144  123.207   64.308  218.336   51.387   80.829   21.946  110.502   13.157 -29.67268 25.58750 
1 1 1  -10   21   21 o  134.948   13.617  358.118   57.656  266.604   95.577  410.470   72.290  118.509   23.647  151.386   13.510 -32.87709 27.23442 
1 1 1  -10   21   23 o  382.485   15.584  2775.12  195.068  2437.93  335.094  2947.96  239.908  361.247   26.245  403.724   16.813 -42.47711 31.16820 
1 1 1  -10   21   25 o  113.726   14.852  244.290   56.168  232.971   91.866  251.048   70.982  109.865   24.302  117.586   17.079 -7.721786 29.70348 
1 1 1  -10   21   27 o   93.609   14.917  167.789   47.499  170.000   74.759  166.292   61.509   93.666   22.797   93.551   19.245 0.1149750 29.83408 
1 1 1  -10   21   29 o  197.420   14.041  677.940   91.221  400.295  115.418  1140.00  148.895  145.628   22.424  249.211   16.904 -103.5822 28.08158 
1 1 1  -10   21   31 o  142.400   14.705  402.507   68.095  335.854  109.215  444.896   87.096  129.510   24.762  155.290   15.869 -25.77995 29.41022 
1 1 1  -10   21   33 o  264.037   14.918  1444.39  125.374  1078.88  210.784  1644.50  155.962  230.299   25.896  297.774   14.819 -67.47534 29.83579 
1 1 1  -10   22    2 f   99.282   16.474  177.002   57.808   0.0000   0.0000  177.002   57.808  ?   ?    99.282   16.474      ?      ? 
1 1 1  -10   22    6 o  150.211   15.105  402.722   79.465  341.330  105.250  484.115  121.188  137.052   21.728  163.370   20.988 -26.31795 30.20911 
1 1 1  -10   22   10 o   62.775   15.252   67.035   40.747   79.553   50.235   42.959   69.667   65.953   19.893   59.597   23.124 6.356453 30.50315 
1 1 1  -10   22   12 o  360.019   15.220  2336.27  183.684  2430.32  316.432  2288.47  225.582  363.835   24.607  356.203   17.918 7.632996 30.43921 
1 1 1  -10   22   14 o  155.186   12.294  468.042   61.413  335.953  101.699  543.854   77.046  135.854   21.180  174.518   12.491 -38.66428 24.58874 
1 1 1  -10   22   16 o   95.850   12.847  185.371   40.255  114.294   64.394  230.967   51.575   78.037   22.257  113.663   12.838 -35.62595 25.69415 
1 1 1  -10   22   18 o  226.474   14.771  931.910  112.372  950.620  191.780  922.128  138.671  227.081   23.895  225.867   17.370 1.214584 29.54129 
1 1 1  -10   22   20 o  101.594   15.211  194.980   54.083  143.728   76.354  246.586   76.617   86.737   24.062  116.451   18.615 -29.71398 30.42186 
1 1 1  -10   22   22 o  127.456   14.024  307.651   58.439  279.990   96.271  323.792   73.538  121.050   23.348  133.863   15.543 -12.81332 28.04803 
1 1 1  -10   22   24 o  143.587   14.092  413.567   63.108  294.221  103.430  484.348   79.653  123.264   24.602  163.910   13.749 -40.64535 28.18364 
1 1 1  -10   22   26 o  265.698   14.643  1362.15  127.968  1166.00  215.421  1469.11  159.078  247.550   24.621  283.847   15.856 -36.29739 29.28516 
1 1 1  -10   22   28 o  279.665   13.848  1577.67  123.087  1142.75  207.075  1815.28  153.061  243.460   24.065  315.871   13.710 -72.41100 27.69605 
1 1 1  -10   22   30 o   75.735   21.350  114.086   59.611  114.086   59.611   0.0000   0.0000   75.735   21.350  ?   ?       ?      ? 
1 1 1  -10   22   32 o  149.113   16.009  443.883   84.177  412.930  119.000  474.883  119.089  143.243   23.505  154.983   21.740 -11.74078 32.01736 
1 1 1  -10   23    1 o  294.067   23.524  1585.57  244.497  1585.57  244.497   0.0000   0.0000  294.067   23.524  ?   ?       ?      ? 
1 1 1  -10   23    3 o  190.584   22.023  662.884  148.349  662.884  148.349   0.0000   0.0000  190.584   22.023  ?   ?       ?      ? 
1 1 1  -10   23    7 o   71.340   20.523   94.745   54.524   0.0000   0.0000   94.745   54.524  ?   ?    71.340   20.523      ?      ? 
1 1 1  -10   23    9 o  280.703   17.270  1421.49  171.337   0.0000   0.0000  1421.49  171.337  ?   ?   280.703   17.270      ?      ? 
1 1 1  -10   23   11 o  192.906   14.925  668.442   97.512  715.132  165.387  643.562  120.729  197.198   23.729  188.613   18.110 8.584839 29.85017 
1 1 1  -10   23   13 o   61.264   12.620   70.003   29.385   54.072   44.384   82.435   39.208   56.196   18.901   66.332   16.727 -10.13623 25.23934 
1 1 1  -10   23   15 o  258.750   14.759  1190.99  129.323  1343.53  221.769  1112.39  159.193  269.898   23.248  247.602   18.191 22.29533 29.51884 
1 1 1  -10   23   17 o  183.294   14.440  584.644   90.414  739.183  153.932  503.246  111.716  200.436   21.729  166.151   19.024 34.28510 28.87961 
1 1 1  -10   23   19 o  281.572   13.883  1504.80  128.078  1297.98  218.383  1613.23  158.128  264.192   23.387  298.953   14.965 -34.76068 27.76551 
1 1 1  -10   23   21 o   49.203   12.106   39.723   25.676   43.874   38.555   36.415   34.420   51.091   17.609   47.314   16.619 3.776718 24.21239 
1 1 1  -10   23   23 o  108.537   14.358  227.371   51.763  203.098   83.898  242.290   65.773  101.840   23.746  115.234   16.149 -13.39461 28.71668 
1 1 1  -10   23   25 o  237.693   13.637  1100.08  106.445  904.718  177.217  1210.34  133.138  217.777   23.024  257.608   14.623 -39.83081 27.27457 
1 1 1  -10   23   27 o   52.622   12.829   48.037   28.904   55.050   42.775   42.145   39.209   55.213   18.555   50.032   17.721 5.181301 25.65784 
1 1 1  -10   23   29 o  239.507   13.926  1163.46  108.251  907.185  179.316  1310.41  135.786  213.042   23.814  265.971   14.444 -52.92897 27.85223 
1 1 1  -10   24    2 o  403.141   14.772  2995.37  198.055  2897.69  339.976  3045.55  243.674  395.732   24.307  410.551   16.793 -14.81952 29.54342 
1 1 1  -10   24    4 o  238.871   13.901  1018.84  112.702  1112.85  191.108  968.704  139.551  246.273   21.955  231.468   17.058 14.80542 27.80295 
1 1 1  -10   24    6 o  187.689   14.242  632.683   94.480   0.0000   0.0000  632.683   94.480  ?   ?   187.689   14.242      ?      ? 
1 1 1  -10   24    8 o  379.910   17.812  2693.08  237.613  3031.57  336.164  2355.10  335.908  405.092   23.479  354.728   26.792 50.36389 35.62396 
1 1 1  -10   24   10 o  139.051   21.628  355.274  106.293   0.0000   0.0000  355.274  106.293  ?   ?   139.051   21.628      ?      ? 
1 1 1  -10   24   12 o  227.225   22.609  953.930  181.572   0.0000   0.0000  953.930  181.572  ?   ?   227.225   22.609      ?      ? 
1 1 1  -10   24   14 f  128.713   13.840  298.082   62.963   0.0000   0.0000  298.082   62.963  ?   ?   128.713   13.840      ?      ? 
1 1 1  -10   24   16 o  188.320   15.366  641.891  102.279   0.0000   0.0000  641.891  102.279  ?   ?   188.320   15.366      ?      ? 
1 1 1  -10   24   18 o   95.033   13.459  174.618   43.223  143.827   67.959  195.535   56.012   86.239   22.172  103.826   15.263 -17.58742 26.91820 
1 1 1  -10   24   20 o  127.759   13.901  311.076   58.931  286.678   94.351  326.683   75.461  121.734   22.766  133.784   15.959 -12.04949 27.80203 
1 1 1  -10   24   22 o  154.646   15.695  455.615   85.197  513.167  120.547  398.177  120.427  165.160   20.651  144.133   23.640 21.02647 31.38907 
1 1 1  -10   24   24 o  179.969   13.919  616.764   84.725  597.966  140.054  627.613  106.402  175.947   22.521  183.990   16.362 -8.043045 27.83743 
1 1 1  -10   24   26 o   79.031   14.580  126.410   41.212  111.328   62.636  137.923   54.726   74.443   22.159   83.619   18.954 -9.175919 29.16007 
1 1 1  -10   24   28 o  136.178   14.145  361.688   66.237  366.055  106.400  358.926   84.637  135.295   22.251  137.062   17.471 -1.767090 28.29015 
1 1 1  -10   25    1 f  108.874   16.719  223.079   61.584  198.127   79.239  261.141   97.866  101.525   22.657  116.223   24.592 -14.69815 33.43777 
1 1 1  -10   25    3 o   39.426   10.255   22.507   18.752   22.521   27.521   22.495   25.621   39.798   14.739   39.055   14.261 0.7428513 20.50943 
1 1 1  -10   25    5 o  142.301   13.129  367.937   63.984  378.015  104.737  361.937   80.818  143.289   20.681  141.313   16.181 1.976105 26.25867 
1 1 1  -10   25    7 o  152.043   15.360  428.777   82.138  476.300  116.315  381.507  116.006  160.853   20.459  143.232   22.915 17.62082 30.71918 
1 1 1  -10   25    9 o  239.387   13.510  1039.16  109.274  1090.78  185.432  1011.70  135.254  242.677   21.619  236.098   16.208 6.579819 27.02023 
1 1 1  -10   25   11 o  153.090   13.577  429.846   70.589  433.529  117.247  427.753   88.406  152.787   21.712  153.393   16.306 -0.6061096 27.15319 
1 1 1  -10   25   13 o  278.784   16.720  1463.49  164.421  1563.32  232.548  1363.69  232.504  288.911   22.773  268.656   24.486 20.25574 33.43918 
1 1 1  -10   25   15 o   67.750   14.281   86.689   36.883   95.395   52.116   77.954   52.206   70.687   19.975   64.813   20.415 5.873444 28.56189 
1 1 1  -10   25   17 o  102.879   22.724  207.317   80.425   0.0000   0.0000  207.317   80.425  ?   ?   102.879   22.724      ?      ? 
1 1 1  -10   25   19 o   56.550   18.567   58.149   42.890   0.0000   0.0000   58.149   42.890  ?   ?    56.550   18.567      ?      ? 
1 1 1  -10   25   21 o   68.666   21.949   90.983   60.177   0.0000   0.0000   90.983   60.177  ?   ?    68.666   21.949      ?      ? 
1 1 1  -10   25   23 o   66.502   13.446   87.292   33.286   78.879   49.310   94.334   45.117   63.724   19.803   69.279   18.192 -5.554554 26.89101 
1 1 1  -10   25   25 o   80.018   14.104  132.117   40.031  106.308   61.118  151.508   52.977   72.248   21.976   87.787   17.685 -15.53851 28.20867 
1 1 1  -10   26    2 o  211.550   15.450  834.573  114.949  727.686  157.354  956.883  168.325  196.650   22.639  226.449   21.031 -29.79883 30.90045 
1 1 1  -10   26    4 o  186.213   13.353  637.147   84.330  651.715  140.951  629.025  105.245  186.746   21.355  185.679   16.037 1.066772 26.70602 
1 1 1  -10   26    6 o  109.273   16.114  232.133   60.226  242.266   85.191  222.010   85.153  111.892   22.324  106.656   23.245 5.235893 32.22897 
1 1 1  -10   26    8 o   28.293   7.8297   6.2332   11.947   16.742   17.136  -3.7080   16.667   32.840   11.706   23.745   10.401 9.094971 15.65933 
1 1 1  -10   26   10 o  206.107   13.469  776.898   93.785  828.862  159.637  749.510  115.893  209.929   21.515  202.285   16.210 7.643967 26.93779 
1 1 1  -10   26   12 o  165.290   13.192  497.846   74.552  547.653  124.260  469.834   93.188  170.733   20.592  159.848   16.494 10.88495 26.38342 
1 1 1  -10   26   14 o   64.473   13.662   78.271   33.268   87.260   51.380   71.782   43.654   67.400   20.071   61.546   18.540 5.854046 27.32370 
1 1 1  -10   26   16 o  150.524   14.059  426.921   72.307  439.181  118.744  419.696   91.155  150.945   22.257  150.102   17.182 0.8423920 28.11775 
1 1 1  -10   26   18 o  105.437   13.851  221.135   48.569  189.755   77.459  241.465   62.348   96.770   22.988  114.103   15.460 -17.33302 27.70280 
1 1 1  -10   26   20 o  169.138   16.163  568.608   96.253  619.900  136.159  517.370  136.086  177.708   21.678  160.568   23.979 17.14005 32.32547 
1 1 1  -10   26   22 o   80.159   15.505  132.676   45.443  149.032   64.272  116.326   64.261   85.204   21.378   75.114   22.464 10.08928 31.01061 
1 1 1  -10   27    1 o   51.779   12.187   48.034   25.992   47.199   39.241   48.687   34.695   51.891   17.770   51.666   16.682 0.2251320 24.37360 
1 1 1  -10   27    3 o  222.882   19.669  1015.28  150.159  1214.39  206.654  792.573  218.559  250.451   23.345  195.312   31.661 55.13980 39.33706 
1 1 1  -10   27    5 o  141.719   22.141  385.594  110.905   0.0000   0.0000  385.594  110.905  ?   ?   141.719   22.141      ?      ? 
1 1 1  -10   27    7 o  106.442   15.130  215.521   53.778  259.985   87.788  188.812   68.039  114.619   22.473   98.265   20.263 16.35371 30.25970 
1 1 1  -10   27    9 o   46.113   11.633   33.377   24.681   48.506   34.502   17.520   35.322   51.488   16.637   40.738   16.263 10.74990 23.26520 
1 1 1  -10   27   11 o   71.914   13.988   99.317   36.342  119.773   56.714   85.066   47.337   77.728   20.390   66.100   19.153 11.62781 27.97511 
1 1 1  -10   27   13 o  183.846   16.186  665.279  105.003  704.668  148.505  625.899  148.488  189.906   22.125  177.786   23.630 12.11964 32.37151 
1 1 1  -10   27   15 o  125.563   13.919  306.114   58.134  310.307   95.108  303.613   73.453  123.990   22.532  127.135   16.346 -3.145058 27.83735 
1 1 1  -10   27   17 o  113.201   15.448  246.120   59.688  331.872   96.329  192.678   76.046  129.829   20.993   96.573   22.668 33.25558 30.89545 
1 1 1  -10   28    2 o  205.966   14.274  832.522   97.994  789.016  165.182  856.150  121.729  198.430   23.552  213.501   16.131 -15.07068 28.54715 
1 1 1  -10   28    4 o  125.752   23.846  324.273  102.110   0.0000   0.0000  324.273  102.110  ?   ?   125.752   23.846      ?      ? 
1 1 1  -10   28    6 o   37.538   9.9947   18.689   18.315   29.317   26.962   9.5835   24.956   41.748   14.705   33.327   13.540 8.421200 19.98933 
1 1 1  -10   28    8 o   66.631   13.879   86.615   34.339   97.851   54.560   79.245   44.189   69.825   20.658   63.437   18.541 6.388123 27.75830 
1 1 1  -10   28   10 o   74.710   14.910  113.412   41.883  140.135   59.259   86.741   59.203   83.177   20.329   66.243   21.817 16.93424 29.82015 
1 1 1   -9    0   15 f  107.224   18.436  236.120   85.621  236.120   85.621  236.120   85.621  107.224   26.072  107.224   26.072 -0.000000 0.000000 
1 1 1   -9    0   17 o  1175.09   33.096 24667.45  1936.91 24667.45  1936.91 24667.45  1936.91  1175.09   46.804  1175.09   46.804 -0.000000 0.000000 
1 1 1   -9    0   23 f  810.706   25.191 11741.35  1016.31 11741.35  1016.31 11741.35  1016.31  810.706   35.625  810.706   35.625 -0.000000 0.000000 
1 1 1   -9    0   25 o  1080.33   31.077 20928.05  1671.85 20928.05  1671.85 20928.05  1671.85  1080.33   43.950  1080.33   43.950 -0.000000 0.000000 
1 1 1   -9    0   27 o  377.409   17.661  2561.15  329.826  2561.15  329.826  2561.15  329.826  377.409   24.977  377.409   24.977 -0.000000 0.000000 
1 1 1   -9    0   29 o  362.772   17.509  2373.42  314.092  2373.42  314.092  2373.42  314.092  362.772   24.761  362.772   24.761 -0.000000 0.000000 
1 1 1   -9    0   31 o  420.490   18.315  3191.97  381.599  3191.97  381.599  3191.97  381.599  420.490   25.901  420.490   25.901 -0.000000 0.000000 
1 1 1   -9    0   33 o  906.697   27.760 15035.97  1252.72 15035.97  1252.72 15035.97  1252.72  906.697   39.258  906.697   39.258 -0.000000 0.000000 
1 1 1   -9    0   37 o  374.903   17.798  2556.55  330.075  2556.55  330.075  2556.55  330.075  374.903   25.170  374.903   25.170 -0.000000 0.000000 
1 1 1   -9    0   39 o  677.371   23.024  8403.84  775.443  8403.84  775.443  8403.84  775.443  677.371   32.561  677.371   32.561 -0.000000 0.000000 
1 1 1   -9    0   41 o  518.133   13.275  4818.70  342.792  4818.70  342.792  4818.70  342.792  518.133   18.774  518.133   18.774 -0.000000 0.000000 
1 1 1   -9    0   43 o   45.819   12.349   50.747   26.634   50.747   26.634   50.747   26.634   45.819   17.465   45.819   17.465 -0.000000 0.000000 
1 1 1   -9    0   45 o   32.419   11.471   27.694   22.715   27.694   22.715   27.694   22.715   32.419   16.223   32.419   16.223 -0.000000 0.000000 
1 1 1   -9    1   12 o  694.179   32.068  8572.38  786.789   0.0000   0.0000  8572.38  786.789  ?   ?   694.179   32.068      ?      ? 
1 1 1   -9    1   14 o  1117.45   44.836 22326.00  1770.84   0.0000   0.0000 22326.00  1770.84  ?   ?   1117.45   44.836      ?      ? 
1 1 1   -9    1   16 o  329.542   23.602  1925.15  274.898   0.0000   0.0000  1925.15  274.898  ?   ?   329.542   23.602      ?      ? 
1 1 1   -9    1   18 o  303.999   23.174  1638.23  248.994   0.0000   0.0000  1638.23  248.994  ?   ?   303.999   23.174      ?      ? 
1 1 1   -9    1   22 o  1221.03   34.317 26833.04  1479.59 25515.90  2092.47 28150.14  2092.44  1190.51   49.729  1251.55   47.303 -61.03979 68.63304 
1 1 1   -9    1   24 o  734.249   23.467  9629.82  608.637 10017.56  860.827  9242.22  860.658  749.186   32.509  719.311   33.853 29.87500 46.93455 
1 1 1   -9    1   26 o  522.548   19.555  4872.17  360.948  5065.26  510.571  4679.26  510.346  532.997   27.103  512.099   28.196 20.89746 39.10981 
1 1 1   -9    1   28 o  591.294   29.573  6275.17  618.050   0.0000   0.0000  6275.17  618.050  ?   ?   591.294   29.573      ?      ? 
1 1 1   -9    1   30 o  622.034   21.636  7009.35  475.673  6977.69  672.758  7041.00  672.649  620.593   30.671  623.475   30.525 -2.881836 43.27211 
1 1 1   -9    1   32 o  130.582   15.686  311.594   70.644  286.574   99.994  336.526   99.818  124.179   23.646  136.985   20.617 -12.80580 31.37185 
1 1 1   -9    1   34 o  806.364   25.924 12144.25  738.795 12291.47  1044.91 11997.09  1044.72  811.525   36.430  801.204   36.892 10.32068 51.84758 
1 1 1   -9    1   36 o  855.468   27.113 13864.63  818.418 14730.44  1157.68 12999.60  1157.15  884.076   37.049  826.859   39.595 57.21667 54.22550 
1 1 1   -9    1   38 o  576.058   21.174  6148.65  430.654  5839.17  609.028  6458.15  609.046  560.857   30.723  591.258   29.144 -30.40033 42.34732 
1 1 1   -9    1   40 o  274.236   13.129  1346.74  120.207  1390.81  208.593  1324.83  147.087  276.647   21.333  271.826   15.310 4.820374 26.25802 
1 1 1   -9    1   42 o  290.503   11.246  1519.21  115.469  1527.45  163.287  1510.95  163.310  291.307   15.859  289.699   15.949 1.607819 22.49215 
1 1 1   -9    1   44 o  178.490   11.900  578.182   75.041  597.257  106.108  559.094  106.140  181.515   16.539  175.465   17.115 6.050720 23.80029 
1 1 1   -9    1   46 o   30.218   8.2192   10.313   12.588   4.2135   17.822   16.387   17.784   27.488   11.336   32.947   11.904 -5.459852 16.43834 
1 1 1   -9    2    9 o  871.956   37.260 13583.84  1148.30   0.0000   0.0000 13583.84  1148.30  ?   ?   871.956   37.260      ?      ? 
1 1 1   -9    2   11 o  301.682   23.133  1614.16  246.663   0.0000   0.0000  1614.16  246.663  ?   ?   301.682   23.133      ?      ? 
1 1 1   -9    2   13 o  1368.06   37.600 33630.99  1818.11 33707.86  2571.17 33554.11  2571.21  1369.65   53.113  1366.47   53.237 3.179932 75.20096 
1 1 1   -9    2   15 o  327.179   23.558  1897.63  272.419   0.0000   0.0000  1897.63  272.419  ?   ?   327.179   23.558      ?      ? 
1 1 1   -9    2   17 o  1642.41   62.655 48729.21  3637.11   0.0000   0.0000 48729.21  3637.11  ?   ?   1642.41   62.655      ?      ? 
1 1 1   -9    2   19 o  349.239   23.959  2162.99  295.744   0.0000   0.0000  2162.99  295.744  ?   ?   349.239   23.959      ?      ? 
1 1 1   -9    2   23 o  771.607   24.344 10627.19  663.747 10349.76  938.779 10904.51  938.581  761.435   34.883  781.779   33.968 -20.34320 48.68898 
1 1 1   -9    2   25 o  546.881   28.306  5330.06  547.123   0.0000   0.0000  5330.06  547.123  ?   ?   546.881   28.306      ?      ? 
1 1 1   -9    2   27 o  944.377   28.260 16140.55  943.176 15875.11  1333.97 16405.90  1333.74  936.424   40.304  952.330   39.624 -15.90619 56.52028 
1 1 1   -9    2   29 o  871.590   26.914 13871.99  828.870 13508.77  1172.30 14235.08  1172.10  859.799   38.576  883.381   37.540 -23.58203 53.82752 
1 1 1   -9    2   31 o  1037.75   44.202 20210.41  1621.26 20210.41  1621.26   0.0000   0.0000  1037.75   44.202  ?   ?       ?      ? 
1 1 1   -9    2   33 o  435.409   18.503  3441.08  284.598  3317.18  402.564  3564.88  402.400  427.359   26.651  443.459   25.673 -16.10025 37.00576 
1 1 1   -9    2   35 o  638.565   22.289  7534.83  503.052  7543.10  711.546  7526.56  711.301  638.926   31.509  638.203   31.534 0.7229614 44.57776 
1 1 1   -9    2   37 o  270.848   12.294  1262.83  112.380  1496.93  196.031  1148.23  137.156  288.317   19.237  253.379   15.315 34.93805 24.58889 
1 1 1   -9    2   39 o  251.526   15.662  1149.67  138.969  1240.54  197.938  1061.33  195.157  261.555   21.411  241.497   22.864 20.05853 31.32427 
1 1 1   -9    2   41 o  450.645   15.017  3583.99  228.002  4080.16  396.206  3338.32  278.789  471.544   23.773  429.745   18.355 41.79880 30.03385 
1 1 1   -9    2   43 o  182.312   10.566  598.273   68.062  620.241   97.012  576.980   95.513  185.643   14.785  178.982   15.098 6.660446 21.13215 
1 1 1   -9    2   45 o  295.062   11.690  1585.21  121.871  1635.15  172.710  1535.69  171.996  299.812   16.299  290.311   16.762 9.500336 23.37988 
1 1 1   -9    2   47 o  320.970   16.657  1902.09  188.963   0.0000   0.0000  1902.09  188.963  ?   ?   320.970   16.657      ?      ? 
1 1 1   -9    3    2 o   95.232   21.868  167.400   72.052  167.400   72.052   0.0000   0.0000   95.232   21.868  ?   ?       ?      ? 
1 1 1   -9    3    4 o  881.703   37.610 13915.76  1172.04   0.0000   0.0000 13915.76  1172.04  ?   ?   881.703   37.610      ?      ? 
1 1 1   -9    3    6 o  445.171   25.899  3522.23  407.499   0.0000   0.0000  3522.23  407.499  ?   ?   445.171   25.899      ?      ? 
1 1 1   -9    3    8 o  832.620   36.072 12374.44  1061.54   0.0000   0.0000 12374.44  1061.54  ?   ?   832.620   36.072      ?      ? 
1 1 1   -9    3   10 o  419.871   25.340  3128.99  376.045   0.0000   0.0000  3128.99  376.045  ?   ?   419.871   25.340      ?      ? 
1 1 1   -9    3   12 o  1047.23   42.599 19593.32  1576.74   0.0000   0.0000 19593.32  1576.74  ?   ?   1047.23   42.599      ?      ? 
1 1 1   -9    3   14 o  1987.06   75.166 72011.34  5278.98   0.0000   0.0000 72011.34  5278.98  ?   ?   1987.06   75.166      ?      ? 
1 1 1   -9    3   16 o  2333.24   88.293 100419.00  7281.25   0.0000   0.0000 100419.00  7281.25  ?   ?   2333.24   88.293      ?      ? 
1 1 1   -9    3   18 o  1074.11   43.449 20616.66  1649.50   0.0000   0.0000 20616.66  1649.50  ?   ?   1074.11   43.449      ?      ? 
1 1 1   -9    3   20 o  1156.74   46.194 23986.63  1888.60   0.0000   0.0000 23986.63  1888.60  ?   ?   1156.74   46.194      ?      ? 
1 1 1   -9    3   22 o  1163.91   46.536 24350.11  1914.40   0.0000   0.0000 24350.11  1914.40  ?   ?   1163.91   46.536      ?      ? 
1 1 1   -9    3   24 o  944.177   39.579 15995.70  1320.82   0.0000   0.0000 15995.70  1320.82  ?   ?   944.177   39.579      ?      ? 
1 1 1   -9    3   26 o  211.915   15.036  808.706  110.214  1003.11  156.348  616.678  155.390  237.708   18.609  186.123   23.621 51.58542 30.07101 
1 1 1   -9    3   28 o  313.025   16.447  1750.69  181.833  1829.63  257.446  1672.11  256.856  320.139   22.752  305.910   23.756 14.22971 32.89415 
1 1 1   -9    3   30 o  646.681   22.236  7600.67  508.100  7399.87  718.718  7801.29  718.406  637.896   31.878  655.466   31.010 -17.57025 44.47248 
1 1 1   -9    3   32 o  568.399   20.536  5888.50  411.927  6255.82  582.815  5521.85  582.292  586.659   28.108  550.140   29.947 36.51941 41.07116 
1 1 1   -9    3   34 o  472.903   16.655  4053.83  261.748  4027.26  453.793  4067.07  320.422  469.814   27.328  475.992   19.046 -6.178802 33.31039 
1 1 1   -9    3   36 o  372.429   17.501  2525.12  230.361  2552.77  326.577  2497.74  324.987  374.492   24.673  370.366   24.826 4.126160 35.00161 
1 1 1   -9    3   38 o  240.721   12.260  987.494   99.705  1223.62  174.535  873.109  121.477  260.612   18.948  220.830   15.564 39.78273 24.52072 
1 1 1   -9    3   40 o  371.801   14.284  2462.11  177.775  2644.87  309.559  2372.17  217.154  380.513   23.017  363.089   16.921 17.42355 28.56795 
1 1 1   -9    3   42 f  252.525   13.978  1148.58  117.244  1195.11  205.735  1126.20  142.680  255.066   22.821  249.984   16.148 5.081741 27.95660 
1 1 1   -9    3   44 o  288.555   13.131  1473.66  127.000  1671.35  222.958  1378.72  154.518  301.154   20.947  275.956   15.842 25.19760 26.26289 
1 1 1   -9    3   46 o  183.229   16.676  615.683  107.996   0.0000   0.0000  615.683  107.996  ?   ?   183.229   16.676      ?      ? 
1 1 1   -9    4    1 o  322.780   16.430  1850.31  187.226  1953.17  264.970  1747.74  264.587  331.782   22.596  313.777   23.858 18.00485 32.85946 
1 1 1   -9    4    3 o  677.333   22.449  8173.93  537.382  8062.12  760.129  8285.66  759.816  672.663   31.972  682.003   31.521 -9.339783 44.89756 
1 1 1   -9    4    5 o  257.191   15.593  1175.80  141.291  1285.90  200.001  1066.11  199.630  269.279   21.014  245.102   23.044 24.17697 31.18681 
1 1 1   -9    4    7 o  863.834   26.236 13319.12  800.981 13151.30  1132.93 13486.85  1132.59  858.338   37.344  869.330   36.861 -10.99286 52.47219 
1 1 1   -9    4    9 o  561.033   19.668  5607.19  388.233  6224.55  549.288  4990.94  548.800  592.138   26.246  529.929   29.301 62.20898 39.33648 
1 1 1   -9    4   11 o  1133.14   45.357 22971.75  1816.53   0.0000   0.0000 22971.75  1816.53  ?   ?   1133.14   45.357      ?      ? 
1 1 1   -9    4   13 o  993.383   40.880 17605.00  1435.31   0.0000   0.0000 17605.00  1435.31  ?   ?   993.383   40.880      ?      ? 
1 1 1   -9    4   15 o  1248.18   49.098 27904.59  2166.01   0.0000   0.0000 27904.59  2166.01  ?   ?   1248.18   49.098      ?      ? 
1 1 1   -9    4   17 o  1332.27   51.942 31860.53  2445.87   0.0000   0.0000 31860.53  2445.87  ?   ?   1332.27   51.942      ?      ? 
1 1 1   -9    4   19 f  1195.72   47.459 25639.67  2005.73   0.0000   0.0000 25639.67  2005.73  ?   ?   1195.72   47.459      ?      ? 
1 1 1   -9    4   29 o  264.190   22.713  1249.75  212.088   0.0000   0.0000  1249.75  212.088  ?   ?   264.190   22.713      ?      ? 
1 1 1   -9    4   31 o  364.447   24.521  2394.89  315.857   0.0000   0.0000  2394.89  315.857  ?   ?   364.447   24.521      ?      ? 
1 1 1   -9    4   33 o  568.784   20.222  5813.21  406.528   0.0000   0.0000  5813.21  406.528  ?   ?   568.784   20.222      ?      ? 
1 1 1   -9    4   35 o  335.057   16.334  2009.03  193.433   0.0000   0.0000  2009.03  193.433  ?   ?   335.057   16.334      ?      ? 
1 1 1   -9    4   37 o  238.517   16.088  1019.02  135.625   0.0000   0.0000  1019.02  135.625  ?   ?   238.517   16.088      ?      ? 
1 1 1   -9    4   39 o  707.407   21.901  9098.91  547.585   0.0000   0.0000  9098.91  547.585  ?   ?   707.407   21.901      ?      ? 
1 1 1   -9    4   41 o  361.448   15.814  2349.42  202.023   0.0000   0.0000  2349.42  202.023  ?   ?   361.448   15.814      ?      ? 
1 1 1   -9    4   43 o  590.566   20.176  6384.83  421.130   0.0000   0.0000  6384.83  421.130  ?   ?   590.566   20.176      ?      ? 
1 1 1   -9    4   45 o  349.433   17.442  2235.06  215.423   0.0000   0.0000  2235.06  215.423  ?   ?   349.433   17.442      ?      ? 
1 1 1   -9    4   47 f  253.635   15.821  1186.52  141.826   0.0000   0.0000  1186.52  141.826  ?   ?   253.635   15.821      ?      ? 
1 1 1   -9    5    2 o  597.448   18.071  6345.30  359.368  6309.41  622.629  6363.23  440.069  595.726   29.571  599.170   20.780 -3.443237 36.14207 
1 1 1   -9    5    4 o  442.687   15.500  3434.43  229.824  3599.99  398.254  3351.76  281.409  450.372   25.019  435.002   18.303 15.37021 30.99920 
1 1 1   -9    5    6 f  334.687   14.400  1974.27  160.965  2017.88  278.947  1952.51  197.089  337.295   23.399  332.080   16.792 5.214752 28.80044 
1 1 1   -9    5    8 f  639.740   19.471  7414.38  410.401  6848.60  710.929  7697.15  502.604  620.480   32.417  659.001   21.578 -38.52094 38.94246 
1 1 1   -9    5   12 o  1500.68   57.691 40547.72  3059.99 40547.72  3059.99   0.0000   0.0000  1500.68   57.691  ?   ?       ?      ? 
1 1 1   -9    5   14 f  650.843   30.890  7525.92  710.571  7525.92  710.571   0.0000   0.0000  650.843   30.890  ?   ?       ?      ? 
1 1 1   -9    5   16 o  1011.34   41.464 18255.79  1482.12 18255.79  1482.12   0.0000   0.0000  1011.34   41.464  ?   ?       ?      ? 
1 1 1   -9    5   18 o  732.246   33.145  9542.61  857.826  9542.61  857.826   0.0000   0.0000  732.246   33.145  ?   ?       ?      ? 
1 1 1   -9    5   20 o  2257.37   86.508 95029.77  6902.04 95029.77  6902.04   0.0000   0.0000  2257.37   86.508  ?   ?       ?      ? 
1 1 1   -9    5   30 f  305.929   23.398  1682.74  253.004   0.0000   0.0000  1682.74  253.004  ?   ?   305.929   23.398      ?      ? 
1 1 1   -9    5   32 o  310.087   23.528  1735.83  257.863   0.0000   0.0000  1735.83  257.863  ?   ?   310.087   23.528      ?      ? 
1 1 1   -9    5   34 o  589.674   30.081  6398.36  626.947   0.0000   0.0000  6398.36  626.947  ?   ?   589.674   30.081      ?      ? 
1 1 1   -9    5   36 o  478.000   27.224  4190.23  459.945   0.0000   0.0000  4190.23  459.945  ?   ?   478.000   27.224      ?      ? 
1 1 1   -9    5   38 o  442.424   26.436  3594.56  413.392   0.0000   0.0000  3594.56  413.392  ?   ?   442.424   26.436      ?      ? 
1 1 1   -9    5   40 o  297.133   23.537  1617.70  247.184   0.0000   0.0000  1617.70  247.184  ?   ?   297.133   23.537      ?      ? 
1 1 1   -9    5   42 o  190.339   14.289  650.870   96.129   0.0000   0.0000  650.870   96.129  ?   ?   190.339   14.289      ?      ? 
1 1 1   -9    5   44 o  313.017   16.014  1778.18  177.175   0.0000   0.0000  1778.18  177.175  ?   ?   313.017   16.014      ?      ? 
1 1 1   -9    5   46 o  432.425   17.444  3454.81  266.607   0.0000   0.0000  3454.81  266.607  ?   ?   432.425   17.444      ?      ? 
1 1 1   -9    5   48 o  123.057   15.826  282.654   68.834   0.0000   0.0000  282.654   68.834  ?   ?   123.057   15.826      ?      ? 
1 1 1   -9    6    1 o  697.086   22.935  8615.04  565.070   0.0000   0.0000  8615.04  565.070  ?   ?   697.086   22.935      ?      ? 
1 1 1   -9    6    3 f  364.253   15.210  2384.50  183.162  2256.23  317.427  2448.53  224.263  356.614   25.184  371.893   17.062 -15.27921 30.41933 
1 1 1   -9    6    5 o  723.591   32.883  9314.06  840.974   0.0000   0.0000  9314.06  840.974  ?   ?   723.591   32.883      ?      ? 
1 1 1   -9    6    7 o  679.760   22.240  8222.53  533.439  8770.69  754.547  7674.81  754.245  702.566   30.386  656.954   32.483 45.61133 44.48014 
1 1 1   -9    6    9 o  1754.73   47.155 55812.84  2924.53 56032.18  4135.99 55593.52  4135.83  1758.27   66.554  1751.20   66.820 7.071289 94.30997 
1 1 1   -9    6   11 o  1954.97   52.276 69609.95  3612.10 69984.84  5108.34 69235.08  5108.21  1960.39   73.725  1949.54   74.134 10.84924 104.5526 
1 1 1   -9    6   13 o  842.338   25.669 12631.91  764.213 12563.68  1080.82 12700.12  1080.70  840.046   36.402  844.629   36.201 -4.583618 51.33848 
1 1 1   -9    6   15 o  353.375   17.002  2214.26  212.351  2228.26  300.439  2200.28  300.181  354.495   23.979  352.255   24.110 2.239227 34.00426 
1 1 1   -9    6   19 o  297.910   23.157  1574.55  243.827  1574.55  243.827   0.0000   0.0000  297.910   23.157  ?   ?       ?      ? 
1 1 1   -9    6   27 o  282.487   16.866  1430.77  167.875  1306.54  237.987  1553.80  236.839  270.095   24.930  294.877   22.724 -24.78189 33.73251 
1 1 1   -9    6   29 o  593.492   29.862  6391.46  626.401   0.0000   0.0000  6391.46  626.401  ?   ?   593.492   29.862      ?      ? 
1 1 1   -9    6   31 o  621.714   30.796  7070.90  676.722   0.0000   0.0000  7070.90  676.722  ?   ?   621.714   30.796      ?      ? 
1 1 1   -9    6   33 o  716.681   33.822  9533.94  856.745   0.0000   0.0000  9533.94  856.745  ?   ?   716.681   33.822      ?      ? 
1 1 1   -9    6   35 o  227.750   22.327  939.299  179.727   0.0000   0.0000  939.299  179.727  ?   ?   227.750   22.327      ?      ? 
1 1 1   -9    6   37 o  316.104   23.769  1819.97  265.559   0.0000   0.0000  1819.97  265.559  ?   ?   316.104   23.769      ?      ? 
1 1 1   -9    6   39 o  108.962   22.438  223.854   83.536   0.0000   0.0000  223.854   83.536  ?   ?   108.962   22.438      ?      ? 
1 1 1   -9    6   41 o  267.199   23.105  1312.40  218.205   0.0000   0.0000  1312.40  218.205  ?   ?   267.199   23.105      ?      ? 
1 1 1   -9    6   43 o  166.975   21.904  515.418  129.269   0.0000   0.0000  515.418  129.269  ?   ?   166.975   21.904      ?      ? 
1 1 1   -9    7    2 o  785.896   24.561 10994.94  681.845 10578.95  964.322 11410.86  964.226  770.921   35.391  800.871   34.064 -29.95026 49.12102 
1 1 1   -9    7    4 o  832.938   25.502 12353.60  750.713 12167.07  1061.75 12540.08  1061.59  826.602   36.342  839.273   35.788 -12.67096 51.00459 
1 1 1   -9    7    6 o  871.511   26.237 13529.24  808.102 13763.00  1142.94 13295.57  1142.71  879.098   36.785  863.924   37.423 15.17365 52.47488 
1 1 1   -9    7    8 o  1067.88   30.413 20373.10  1146.89 21340.92  1622.10 19405.64  1621.80  1093.51   41.969  1042.24   44.026 51.27246 60.82528 
1 1 1   -9    7   10 o  1884.77   50.126 64585.07  3335.61 67948.31  4717.43 61222.32  4717.09  1935.25   68.968  1834.29   72.759 100.9629 100.2519 
1 1 1   -9    7   12 o  1036.34   29.791 19174.06  1090.94 19677.16  1542.95 18671.14  1542.69  1050.07   41.573  1022.61   42.682 27.46326 59.58290 
1 1 1   -9    7   14 o  445.643   18.289  3523.80  288.046  3580.41  407.528  3467.27  407.188  449.234   25.666  442.052   26.062 7.181610 36.57829 
1 1 1   -9    7   18 o  891.853   26.840 14207.54  845.918 13915.20  1196.45 14499.74  1196.16  882.580   38.355  901.126   37.556 -18.54620 53.68048 
1 1 1   -9    7   20 o  1010.18   29.355 18300.75  1048.01 18591.85  1482.29 18009.80  1481.92  1018.33   41.184  1002.03   41.843 16.29816 58.71076 
1 1 1   -9    7   22 o  984.305   29.068 17426.87  1010.91 16908.97  1429.84 17944.47  1429.44  969.420   41.731  999.189   40.476 -29.76953 58.13570 
1 1 1   -9    7   24 o  253.440   19.771  1193.21  166.817  743.297  236.700  1637.19  235.137  203.536   32.903  303.344   21.931 -99.80774 39.54229 
1 1 1   -9    7   26 o  744.930   23.881 10035.86  628.747 10153.58  889.722  9918.43  888.643  749.385   33.591  740.475   33.954 8.910034 47.76285 
1 1 1   -9    7   28 o  601.950   20.963  6566.91  445.789  6801.38  631.034  6333.33  629.848  612.936   29.128  590.965   30.155 21.97089 41.92575 
1 1 1   -9    7   30 o  495.604   19.647  4461.71  344.043  4338.77  487.123  4584.08  485.978  488.586   28.208  502.622   27.356 -14.03619 39.29462 
1 1 1   -9    7   32 o  308.120   23.524  1717.41  256.180   0.0000   0.0000  1717.41  256.180  ?   ?   308.120   23.524      ?      ? 
1 1 1   -9    7   34 o  390.180   25.173  2772.95  347.158   0.0000   0.0000  2772.95  347.158  ?   ?   390.180   25.173      ?      ? 
1 1 1   -9    7   36 o  178.905   21.751  579.854  137.536   0.0000   0.0000  579.854  137.536  ?   ?   178.905   21.751      ?      ? 
1 1 1   -9    7   38 o  510.643   28.225  4833.21  509.413   0.0000   0.0000  4833.21  509.413  ?   ?   510.643   28.225      ?      ? 
1 1 1   -9    7   46 o  234.417   23.297  1063.25  193.021   0.0000   0.0000  1063.25  193.021  ?   ?   234.417   23.297      ?      ? 
1 1 1   -9    7   48 o  192.942   23.209  747.894  158.274   0.0000   0.0000  747.894  158.274  ?   ?   192.942   23.209      ?      ? 
1 1 1   -9    8    1 o  770.347   24.258 10562.77  659.862 10038.42  933.229 11087.01  933.144  751.090   35.154  789.603   33.436 -38.51282 48.51601 
1 1 1   -9    8    3 f  646.948   21.743  7436.28  497.116  7570.71  703.153  7301.94  702.904  652.825   30.474  641.071   31.022 11.75317 43.48612 
1 1 1   -9    8    5 o  108.767   15.607  215.001   58.914  179.083   83.440  250.708   83.195   98.556   24.144  118.977   19.784 -20.42189 31.21444 
1 1 1   -9    8    7 o  375.979   17.357  2507.21  230.563  2429.99  326.140  2584.36  325.990  370.171   24.928  381.788   24.158 -11.61688 34.71313 
1 1 1   -9    8    9 o  1435.86   55.454 37068.45  2814.27   0.0000   0.0000 37068.45  2814.27  ?   ?   1435.86   55.454      ?      ? 
1 1 1   -9    8   11 o  282.145   16.174  1411.10  161.281  1428.41  228.250  1393.84  227.921  283.877   22.749  280.411   22.997 3.465851 32.34758 
1 1 1   -9    8   13 o  656.964   21.880  7674.68  507.793  7955.93  718.304  7393.70  717.953  669.070   30.375  644.858   31.500 24.21112 43.75953 
1 1 1   -9    8   15 f  637.255   30.563  7221.88  688.384   0.0000   0.0000  7221.88  688.384  ?   ?   637.255   30.563      ?      ? 
1 1 1   -9    8   17 o  401.046   17.681  2856.17  250.588  2913.38  354.510  2799.05  354.260  405.078   24.761  397.014   25.246 8.064178 35.36212 
1 1 1   -9    8   19 o  151.327   15.440  414.617   79.371  501.630  113.332  330.857  111.193  168.210   19.063  134.442   24.295 33.76816 30.88047 
1 1 1   -9    8   21 o  614.090   18.656  6700.31  381.791  6751.93  661.886  6674.58  467.384  615.118   30.444  613.063   21.570 2.055664 37.31099 
1 1 1   -9    8   23 o  388.865   17.311  2697.07  237.550  2877.68  336.605  2517.88  335.291  401.948   23.694  375.783   25.244 26.16559 34.62173 
1 1 1   -9    8   25 o  244.944   16.293  1065.94  141.059   0.0000   0.0000  1065.94  141.059  ?   ?   244.944   16.293      ?      ? 
1 1 1   -9    8   27 o  432.944   17.719  3341.63  271.135   0.0000   0.0000  3341.63  271.135  ?   ?   432.944   17.719      ?      ? 
1 1 1   -9    8   29 o  617.098   21.318  6945.52  464.713  7207.66  657.869  6684.44  656.539  629.073   29.588  605.124   30.697 23.94922 42.63527 
1 1 1   -9    8   31 o  435.914   18.043  3451.08  277.681  3645.12  393.542  3258.69  391.862  448.429   24.830  423.398   26.186 25.03073 36.08630 
1 1 1   -9    8   33 o  216.184   22.164  845.206  169.350   0.0000   0.0000  845.206  169.350  ?   ?   216.184   22.164      ?      ? 
1 1 1   -9    8   41 o  315.566   24.022  1845.68  267.925   0.0000   0.0000  1845.68  267.925  ?   ?   315.566   24.022      ?      ? 
1 1 1   -9    8   43 o  353.094   18.496  2372.36  230.313  2227.12  328.172  2513.32  323.306  341.431   27.194  364.758   25.078 -23.32678 36.99226 
1 1 1   -9    8   45 o  260.152   23.600  1300.16  216.997   0.0000   0.0000  1300.16  216.997  ?   ?   260.152   23.600      ?      ? 
1 1 1   -9    8   47 o   86.060   22.266  151.027   68.243   0.0000   0.0000  151.027   68.243  ?   ?    86.060   22.266      ?      ? 
1 1 1   -9    9    2 o  873.491   26.293 13589.97  811.700 13731.43  1148.10 13448.61  1147.73  878.070   36.994  868.912   37.372 9.158691 52.58526 
1 1 1   -9    9    4 o  442.938   18.444  3492.99  287.180  3076.29  406.143  3909.64  406.125  416.323   27.601  469.554   24.471 -53.23108 36.88722 
1 1 1   -9    9    6 o  755.499   33.782 10152.91  902.072   0.0000   0.0000 10152.91  902.072  ?   ?   755.499   33.782      ?      ? 
1 1 1   -9    9    8 o  963.669   28.295 16565.44  963.728 16439.94  1363.04 16690.88  1362.79  959.984   40.172  967.353   39.859 -7.369263 56.59087 
1 1 1   -9    9   10 o  631.116   21.520  7079.01  479.999  6978.15  678.955  7179.80  678.688  626.595   30.657  635.636   30.209 -9.041504 43.04037 
1 1 1   -9    9   12 o  1277.73   35.465 29325.27  1601.58 29531.29  2265.17 29119.32  2264.78  1282.29   49.980  1273.17   50.329 9.118652 70.92956 
1 1 1   -9    9   14 o  621.540   21.320  6870.59  468.351  6904.72  662.656  6836.53  662.040  623.090   30.090  619.990   30.212 3.100525 42.63980 
1 1 1   -9    9   16 o  765.250   34.156 10444.28  923.813 10444.28  923.813   0.0000   0.0000  765.250   34.156  ?   ?       ?      ? 
1 1 1   -9    9   18 o  493.093   17.499  4354.48  286.054  4224.04  496.265  4419.38  350.060  487.022   28.830  499.164   19.842 -12.14154 34.99804 
1 1 1   -9    9   20 o  498.726   16.870  4404.74  280.565  4477.87  486.877  4368.39  343.295  501.308   27.479  496.143   19.577 5.164215 33.73904 
1 1 1   -9    9   22 o  188.787   10.322  576.135   65.442  829.480  117.069  460.986   78.925  216.286   15.314  161.288   13.845 54.99776 20.64482 
1 1 1   -9    9   24 o  131.573   21.400  308.771   99.518   0.0000   0.0000  308.771   99.518  ?   ?   131.573   21.400      ?      ? 
1 1 1   -9    9   26 o  917.489   23.416 15093.62  720.084 16086.21  1247.89 14598.12  881.685  935.694   37.733  899.284   27.739 36.40973 46.83217 
1 1 1   -9    9   28 o  111.887   14.429  227.885   55.414  278.003   80.731  183.237   76.199  124.701   18.317   99.072   22.299 25.62894 28.85750 
1 1 1   -9    9   30 o  161.578   21.999  470.565  125.630  470.565  125.630   0.0000   0.0000  161.578   21.999  ?   ?       ?      ? 
1 1 1   -9    9   32 o  409.949   17.257  3064.08  248.173  3505.61  352.510  2630.20  349.448  440.109   22.662  379.790   26.033 60.31857 34.51447 
1 1 1   -9    9   34 o  382.225   25.320  2667.29  342.057  2667.29  342.057   0.0000   0.0000  382.225   25.320  ?   ?       ?      ? 
1 1 1   -9    9   36 o  221.558   22.299  891.957  174.621   0.0000   0.0000  891.957  174.621  ?   ?   221.558   22.299      ?      ? 
1 1 1   -9    9   38 o  434.291   26.386  3488.17  405.010   0.0000   0.0000  3488.17  405.010  ?   ?   434.291   26.386      ?      ? 
1 1 1   -9    9   40 o  234.800   22.654  1014.70  188.001   0.0000   0.0000  1014.70  188.001  ?   ?   234.800   22.654      ?      ? 
1 1 1   -9    9   42 o  393.990   25.880  2932.43  360.381   0.0000   0.0000  2932.43  360.381  ?   ?   393.990   25.880      ?      ? 
1 1 1   -9    9   44 o  228.679   22.982  993.896  185.749   0.0000   0.0000  993.896  185.749  ?   ?   228.679   22.982      ?      ? 
1 1 1   -9    9   46 o   57.722   18.810   62.394   44.052   0.0000   0.0000   62.394   44.052  ?   ?    57.722   18.810      ?      ? 
1 1 1   -9   10    1 o  631.910   21.563  7099.85  481.314  6821.39  680.747  7378.21  680.615  619.444   31.093  644.376   29.884 -24.93158 43.12594 
1 1 1   -9   10    3 o  858.701   26.200 13175.98  791.818 11791.52  1119.80 14560.45  1119.80  813.084   38.966  904.317   35.035 -91.23248 52.40017 
1 1 1   -9   10    5 o  328.607   17.057  1921.36  197.166  1708.10  279.075  2133.88  278.596  310.276   25.448  346.938   22.720 -36.66174 34.11428 
1 1 1   -9   10    7 o  181.526   15.157  587.364   96.264  686.799  136.687  489.513  135.594  196.898   19.641  166.153   23.089 30.74535 30.31323 
1 1 1   -9   10    9 o  413.564   17.893  3037.28  261.291  2884.36  369.519  3190.20  369.525  403.102   25.936  424.026   24.656 -20.92334 35.78563 
1 1 1   -9   10   11 o  869.560   37.169 13490.85  1142.34   0.0000   0.0000 13490.85  1142.34  ?   ?   869.560   37.169      ?      ? 
1 1 1   -9   10   13 o  278.393   16.378  1464.36  145.911  1149.41  253.267  1620.83  178.514  254.261   28.182  302.526   16.695 -48.26440 32.75628 
1 1 1   -9   10   15 o  790.616   24.792 11159.61  692.764 11050.57  980.448 11268.33  978.986  786.713   35.260  794.518   34.862 -7.804810 49.58487 
1 1 1   -9   10   17 o  465.109   17.226  3870.94  279.980  4554.42  397.065  3195.07  394.846  506.447   22.182  423.771   26.362 82.67587 34.45300 
1 1 1   -9   10   19 o  500.420   16.873  4423.50  281.943  4550.88  489.380  4360.22  344.942  505.246   27.405  495.594   19.692 9.651947 33.74621 
1 1 1   -9   10   21 o  540.071   17.697  5180.60  318.772  5274.41  553.006  5133.91  390.105  542.882   28.821  537.260   20.544 5.622009 35.39316 
1 1 1   -9   10   23 o  1126.96   25.057 22133.53  955.359 26172.91  1655.62 20117.11  1169.76  1197.84   39.106  1056.07   31.339 141.7701 50.11375 
1 1 1   -9   10   25 o  167.778   15.479  504.098   91.765  509.220  131.516  499.240  128.103  168.589   22.071  166.966   21.708 1.623093 30.95733 
1 1 1   -9   10   27 o  230.275   15.314  957.413  123.239  1130.72  175.513  788.866  173.084  251.251   19.764  209.299   23.397 41.95187 30.62794 
1 1 1   -9   10   29 o  558.310   20.084  5718.06  392.948  6558.92  556.266  4880.53  555.162  600.820   26.195  515.801   30.452 85.01855 40.16847 
1 1 1   -9   10   31 o  148.780   21.417  399.560  112.621   0.0000   0.0000  399.560  112.621  ?   ?   148.780   21.417      ?      ? 
1 1 1   -9   10   33 o  480.946   14.667  4009.87  238.312  4751.09  414.550  3644.00  291.248  511.652   22.924  450.240   18.302 61.41202 29.33348 
1 1 1   -9   10   35 o  114.266   14.371  233.406   58.041   0.0000   0.0000  233.406   58.041  ?   ?   114.266   14.371      ?      ? 
1 1 1   -9   10   37 o  121.205   14.407  265.734   58.974  363.969   89.668  190.850   78.289  142.035   17.862  100.375   22.610 41.66021 28.81438 
1 1 1   -9   10   39 o  313.935   23.934  1819.23  265.569   0.0000   0.0000  1819.23  265.569  ?   ?   313.935   23.934      ?      ? 
1 1 1   -9   10   41 o  179.857   22.062  599.030  140.245   0.0000   0.0000  599.030  140.245  ?   ?   179.857   22.062      ?      ? 
1 1 1   -9   10   43 o   53.697   17.950   50.812   40.029   0.0000   0.0000   50.812   40.029  ?   ?    53.697   17.950      ?      ? 
1 1 1   -9   10   45 o  233.234   23.444  1065.21  193.265   0.0000   0.0000  1065.21  193.265  ?   ?   233.234   23.444      ?      ? 
1 1 1   -9   11    2 o  592.774   20.805  6247.93  435.749  6432.88  616.278  6063.02  616.206  601.600   28.983  583.947   29.856 17.65265 41.61031 
1 1 1   -9   11    4 o  891.425   26.803 14209.01  841.914 12946.81  1190.59 15471.44  1190.70  851.360   39.567  931.489   36.166 -80.12878 53.60522 
1 1 1   -9   11    6 o  604.129   20.876  6498.91  444.680  7020.47  629.126  5978.19  628.619  628.534   28.320  579.724   30.679 48.80969 41.75199 
1 1 1   -9   11    8 o  154.822   10.603  393.339   55.429  535.632   97.759  325.919   67.292  173.937   15.902  135.707   14.029 38.23038 21.20591 
1 1 1   -9   11   10 o  839.248   23.716 12714.25  658.292 12092.78  1140.67 13024.60  806.071  822.343   39.245  856.153   26.638 -33.81042 47.43180 
1 1 1   -9   11   12 o  344.691   14.260  2188.55  159.976  1886.60  277.753  2338.45  195.696  325.963   24.109  363.419   15.235 -37.45648 28.51908 
1 1 1   -9   11   14 o  576.036   29.002  5910.19  590.470   0.0000   0.0000  5910.19  590.470  ?   ?   576.036   29.002      ?      ? 
1 1 1   -9   11   16 o  1084.97   27.408 21284.90  985.959 20661.12  1708.28 21596.49  1207.36  1069.98   45.171  1099.97   31.055 -29.99207 54.81678 
1 1 1   -9   11   18 o  164.570   13.223  510.730   69.274  407.560  121.989  559.836   84.161  151.359   22.803  177.782   13.394 -26.42241 26.44564 
1 1 1   -9   11   20 o  185.558   15.638  614.646  102.189  676.817  144.876  553.089  144.160  194.987   21.022  176.129   23.158 18.85814 31.27607 
1 1 1   -9   11   22 o  542.095   20.058  5288.60  384.157  5462.83  543.570  5114.74  542.991  551.173   27.903  533.016   28.823 18.15686 40.11610 
1 1 1   -9   11   24 o  308.587   16.486  1723.44  177.341  2053.32  251.382  1396.60  250.217  338.682   21.000  278.492   25.421 60.19034 32.97288 
1 1 1   -9   11   26 o  421.310   16.560  3235.27  230.521  3086.87  399.970  3309.09  282.084  412.502   27.433  430.119   18.555 -17.61670 33.11946 
1 1 1   -9   11   28 f  174.708   15.633  550.623   96.469  538.057  137.903  562.666  134.998  172.678   22.595  176.739   21.611 -4.060303 31.26624 
1 1 1   -9   11   30 o  183.285   17.640  677.716   97.030  478.583  169.677  774.477  118.277  158.480   31.402  208.090   16.082 -49.60997 35.28056 
1 1 1   -9   11   32 o  487.225   17.729  4262.67  305.309   0.0000   0.0000  4262.67  305.309  ?   ?   487.225   17.729      ?      ? 
1 1 1   -9   11   34 o  168.688   14.764  533.489   80.603  465.916  141.373  566.033   98.112  159.609   25.061  177.767   15.615 -18.15874 29.52744 
1 1 1   -9   11   36 o  117.617   15.383  274.783   56.546  211.325  100.444  304.225   68.418  104.957   26.940  130.278   14.859 -25.32169 30.76617 
1 1 1   -9   11   38 o  148.612   15.446  404.189   81.092  412.389  116.900  396.583  112.586  150.015   22.047  147.209   21.639 2.806610 30.89205 
1 1 1   -9   11   40 o   84.054   21.569  135.199   64.397   0.0000   0.0000  135.199   64.397  ?   ?    84.054   21.569      ?      ? 
1 1 1   -9   11   42 o   64.057   19.689   76.633   48.895   0.0000   0.0000   76.633   48.895  ?   ?    64.057   19.689      ?      ? 
1 1 1   -9   11   44 o  377.685   26.478  2847.42  353.451   0.0000   0.0000  2847.42  353.451  ?   ?   377.685   26.478      ?      ? 
1 1 1   -9   11   46 o   77.463   21.642  122.991   61.538   0.0000   0.0000  122.991   61.538  ?   ?    77.463   21.642      ?      ? 
1 1 1   -9   12    1 o  324.619   14.879  1916.28  158.645  1735.98  274.906  2006.31  194.255  312.653   24.877  336.585   16.329 -23.93204 29.75756 
1 1 1   -9   12    3 o  554.778   19.019  5570.70  347.918  5183.15  602.882  5764.21  426.014  539.444   31.620  570.113   21.142 -30.66888 38.03710 
1 1 1   -9   12    5 f  312.805   15.319  1789.64  156.807  1586.96  271.870  1890.67  191.952  298.881   25.736  326.729   16.622 -27.84723 30.63717 
1 1 1   -9   12    7 f  444.284   14.677  3452.52  218.503  3649.99  379.013  3354.22  267.415  453.439   23.649  435.130   17.388 18.30893 29.35337 
1 1 1   -9   12    9 o  256.325   17.395  1330.92  134.941  806.846  233.927  1592.28  165.197  212.794   31.103  299.857   15.587 -87.06226 34.79005 
1 1 1   -9   12   11 o  1017.35   25.123 18429.27  852.867 18754.99  1477.71 18266.57  1044.37  1022.10   40.905  1012.59   29.181 9.502991 50.24681 
1 1 1   -9   12   13 o  731.939   24.870  9526.79  643.398   0.0000   0.0000  9526.79  643.398  ?   ?   731.939   24.870      ?      ? 
1 1 1   -9   12   15 o  697.012   22.913  8695.32  564.288  8439.41  798.114  8951.11  797.932  686.626   32.887  707.399   31.914 -20.77252 45.82644 
1 1 1   -9   12   17 o  409.214   18.518  3031.75  261.881  2308.23  370.367  3755.18  370.343  359.192   29.173  459.235   22.817 -100.0424 37.03609 
1 1 1   -9   12   19 o  451.466   19.025  3682.91  299.400  2991.83  423.474  4373.62  423.356  408.168   29.354  494.765   24.210 -86.59729 38.04947 
1 1 1   -9   12   21 o  134.965   17.222  358.535   77.947  138.335  110.261  578.514  110.206   89.662   29.785  180.268   17.297 -90.60526 34.44329 
1 1 1   -9   12   23 o  773.465   23.441 11412.57  586.414  9608.32  1015.97 12313.97  718.112  719.854   39.932  827.076   24.566 -107.2228 46.88282 
1 1 1   -9   12   25 o  320.088   16.893  1849.77  190.831  1736.81  269.915  1962.66  269.838  310.105   24.626  330.071   23.130 -19.96558 33.78529 
1 1 1   -9   12   27 o  349.343   14.874  2242.56  170.825  2066.06  296.284  2330.45  209.074  337.576   24.832  361.111   16.381 -23.53458 29.74859 
1 1 1   -9   12   29 o  216.819   11.952  796.000   87.711  1004.22  153.112  694.293  107.010  236.519   18.316  197.119   15.359 39.40027 23.90347 
1 1 1   -9   12   31 o  563.947   19.155  6117.10  348.033  5054.86  602.893  6648.01  426.222  520.672   32.761  607.223   19.859 -86.55145 38.31024 
1 1 1   -9   12   33 o  160.490   15.681  494.219   78.758  417.800  137.142  531.824   96.203  148.696   27.093  172.284   15.799 -23.58859 31.36279 
1 1 1   -9   12   35 o  147.935   19.019  428.883   94.192  251.361  134.097  601.770  132.335  113.803   32.001  182.067   20.565 -68.26363 38.03881 
1 1 1   -9   12   37 o  194.158   13.236  686.784   85.339  674.370  147.682  693.007  104.564  191.958   21.767  196.359   15.066 -4.400970 26.47282 
1 1 1   -9   12   39 o  300.504   15.090  1759.28  145.232  1405.02  250.987  1937.61  178.071  273.486   25.965  327.522   15.383 -54.03635 30.17997 
1 1 1   -9   12   41 o   79.950   21.393  123.439   61.641   0.0000   0.0000  123.439   61.641  ?   ?    79.950   21.393      ?      ? 
1 1 1   -9   12   43 o  242.158   23.445  1136.65  200.662   0.0000   0.0000  1136.65  200.662  ?   ?   242.158   23.445      ?      ? 
1 1 1   -9   12   45 o   70.882   20.868  101.114   55.796   0.0000   0.0000  101.114   55.796  ?   ?    70.882   20.868      ?      ? 
1 1 1   -9   13    2 o  964.443   22.932 16364.44  741.657 17355.61  1284.70 15868.99  908.303  984.612   36.916  944.274   27.215 40.33813 45.86355 
1 1 1   -9   13    4 o  241.647   12.800  1013.14  103.922  1105.23  180.463  967.453  127.114  249.583   20.458  233.711   15.388 15.87192 25.59908 
1 1 1   -9   13    6 o  353.734   15.944  2280.84  185.131  2058.23  320.752  2392.04  226.704  340.102   26.683  367.366   17.460 -27.26376 31.88796 
1 1 1   -9   13    8 o  732.036   21.753  9787.74  523.297  8914.25  906.534 10224.26  640.851  705.601   36.350  758.471   23.905 -52.86975 43.50626 
1 1 1   -9   13   10 o  900.795   24.267 14561.00  726.785 14399.20  1259.10 14641.84  890.029  895.096   39.799  906.494   27.779 -11.39740 48.53495 
1 1 1   -9   13   12 o  411.555   25.333  3016.55  368.492   0.0000   0.0000  3016.55  368.492  ?   ?   411.555   25.333      ?      ? 
1 1 1   -9   13   14 o  346.693   24.094  2141.49  295.239  2141.49  295.239   0.0000   0.0000  346.693   24.094  ?   ?       ?      ? 
1 1 1   -9   13   16 o  528.025   19.614  5021.66  362.556  4231.25  512.351  5814.42  513.113  485.615   29.851  570.435   25.450 -84.81998 39.22710 
1 1 1   -9   13   18 o  478.398   17.374  4200.61  272.839  3808.00  472.708  4396.74  334.109  459.966   29.077  496.831   19.027 -36.86484 34.74869 
1 1 1   -9   13   20 o  230.325   11.617  910.685   90.272  1056.45  157.110  838.844  110.296  243.393   18.263  217.257   14.364 26.13608 23.23490 
1 1 1   -9   13   22 o  578.807   18.134  6211.12  343.830  5585.94  595.734  6523.40  421.033  553.885   30.431  603.729   19.731 -49.84442 36.26775 
1 1 1   -9   13   24 o  503.181   17.270  4638.63  286.917  4388.83  497.131  4763.39  351.337  490.793   28.658  515.569   19.280 -24.77579 34.54039 
1 1 1   -9   13   26 o  344.628   17.278  2153.77  210.337  2234.19  297.165  2073.04  297.758  351.252   23.936  338.005   24.924 13.24704 34.55669 
1 1 1   -9   13   28 o  477.231   14.633  3998.23  235.226  4465.62  407.738  3765.07  287.981  496.331   23.243  458.131   17.785 38.19980 29.26669 
1 1 1   -9   13   30 o  365.850   16.328  2563.49  192.048  2075.43  332.353  2808.15  235.311  335.960   27.989  395.741   16.823 -59.78091 32.65611 
1 1 1   -9   13   32 o  166.449   15.006  514.214   82.112  466.298  141.612  538.483  100.783  159.648   25.097  173.250   16.459 -13.60188 30.01218 
1 1 1   -9   13   34 o  334.513   14.560  2020.57  162.527  2065.91  281.461  1997.89  199.070  335.857   23.711  333.168   16.905 2.689026 29.12014 
1 1 1   -9   13   36 o  238.190   15.496  1020.71  130.460   0.0000   0.0000  1020.71  130.460  ?   ?   238.190   15.496      ?      ? 
1 1 1   -9   13   38 o  296.385   14.481  1675.20  139.534  1435.51  240.692  1796.53  171.246  277.362   24.552  315.408   15.361 -38.04590 28.96191 
1 1 1   -9   13   40 f  104.292   13.473  211.979   45.333  179.626   76.860  229.238   56.137   96.032   22.956  112.552   14.112 -16.51997 26.94664 
1 1 1   -9   13   42 f  244.756   23.450  1158.19  202.863   0.0000   0.0000  1158.19  202.863  ?   ?   244.756   23.450      ?      ? 
1 1 1   -9   13   44 o   83.913   22.147  144.125   66.645   0.0000   0.0000  144.125   66.645  ?   ?    83.913   22.147      ?      ? 
1 1 1   -9   14    1 o  525.936   27.804  4933.31  516.853   0.0000   0.0000  4933.31  516.853  ?   ?   525.936   27.804      ?      ? 
1 1 1   -9   14    3 o  861.804   26.180 13230.56  797.438   0.0000   0.0000 13230.56  797.438  ?   ?   861.804   26.180      ?      ? 
1 1 1   -9   14    5 o  203.617   14.497  732.729   98.627  747.464  170.650  725.338  120.856  204.985   23.554  202.250   16.907 2.734940 28.99363 
1 1 1   -9   14    7 o  672.009   22.414  8080.42  532.347  8146.91  752.541  8013.82  753.163  674.814   31.552  669.204   31.843 5.610474 44.82727 
1 1 1   -9   14    9 o  570.555   20.668  5825.64  415.996  6233.78  588.153  5417.08  588.460  590.806   28.166  550.304   30.255 40.50281 41.33616 
1 1 1   -9   14   11 o  328.825   17.158  1939.95  197.472  2247.30  279.161  1632.13  279.374  355.291   22.231  302.358   26.142 52.93292 34.31639 
1 1 1   -9   14   13 o  252.128   15.276  1135.64  135.411  1274.89  192.209  998.430  190.800  267.632   20.320  236.623   22.814 31.00861 30.55101 
1 1 1   -9   14   15 o  419.183   18.320  3127.15  271.418   0.0000   0.0000  3127.15  271.418  ?   ?   419.183   18.320      ?      ? 
1 1 1   -9   14   17 o  651.526   20.380  8008.05  429.905  6719.19  744.498  8652.79  526.566  607.373   34.681  695.679   21.415 -88.30652 40.75986 
1 1 1   -9   14   19 o  258.850   14.437  1245.24  121.751  1072.61  210.593  1331.91  149.216  244.160   24.403  273.541   15.434 -29.38164 28.87429 
1 1 1   -9   14   21 o  402.957   14.984  2918.24  200.870  2903.01  347.965  2925.85  245.998  401.105   24.545  404.810   17.193 -3.704895 29.96755 
1 1 1   -9   14   23 o  236.200   13.381  1021.64  104.017  937.869  179.973  1063.66  127.462  228.122   22.321  244.277   14.763 -16.15474 26.76166 
1 1 1   -9   14   25 o  709.394   22.235  9736.85  507.844  8040.37  879.391 10585.74  622.058  653.787   38.056  765.002   23.006 -111.2145 44.46985 
1 1 1   -9   14   27 o  232.672   14.947  1051.78  110.282  788.349  190.557  1184.44  135.229  207.835   25.941  257.509   14.858 -49.67415 29.89469 
1 1 1   -9   14   29 o  159.462   13.741  452.552   73.512  476.511  126.905  440.453   90.183  162.137   22.145  156.788   16.274 5.349319 27.48177 
1 1 1   -9   14   31 o   63.781   13.528   73.381   32.944   85.308   48.688   63.307   44.742   67.898   19.349   59.665   18.911 8.232185 27.05560 
1 1 1   -9   14   33 o   84.203   15.730  134.263   47.696  119.034   68.499  148.596   66.452   79.747   23.021   88.659   21.441 -8.911827 31.45917 
1 1 1   -9   14   35 o  294.035   15.037  1739.66  137.250  1187.13  236.595  2019.92  168.501  252.545   26.506  335.525   14.209 -82.97929 30.07426 
1 1 1   -9   14   37 o   98.263   12.763  185.047   40.588  160.212   68.905  198.243   50.227   91.503   21.644  105.023   13.531 -13.51965 25.52595 
1 1 1   -9   14   39 o  156.780   12.656  445.648   66.658  468.903  114.557  433.745   81.962  158.970   20.389  154.590   15.001 4.380249 25.31233 
1 1 1   -9   14   41 o  143.585   22.134  394.451  112.329   0.0000   0.0000  394.451  112.329  ?   ?   143.585   22.134      ?      ? 
1 1 1   -9   14   43 o   82.741   22.073  139.740   65.742   0.0000   0.0000  139.740   65.742  ?   ?    82.741   22.073      ?      ? 
1 1 1   -9   15    2 o  250.008   22.502  1113.49  198.833  1113.49  198.833   0.0000   0.0000  250.008   22.502  ?   ?       ?      ? 
1 1 1   -9   15    8 o  681.036   23.500  8276.03  565.672   0.0000   0.0000  8276.03  565.672  ?   ?   681.036   23.500      ?      ? 
1 1 1   -9   15   10 o  280.831   14.986  1399.84  148.747   0.0000   0.0000  1399.84  148.747  ?   ?   280.831   14.986      ?      ? 
1 1 1   -9   15   12 o  306.586   23.337  1681.27  252.884   0.0000   0.0000  1681.27  252.884  ?   ?   306.586   23.337      ?      ? 
1 1 1   -9   15   14 o  276.703   17.171  1385.24  165.747  1133.92  234.672  1635.41  234.133  251.060   26.446  302.347   21.910 -51.28737 34.34297 
1 1 1   -9   15   16 o  357.397   15.188  2358.59  177.639  2091.65  307.447  2492.37  217.646  340.752   25.528  374.042   16.463 -33.29022 30.37593 
1 1 1   -9   15   18 o  184.911   11.892  579.573   74.673  720.816  129.091  508.547   91.543  200.850   18.185  168.972   15.328 31.87732 23.78304 
1 1 1   -9   15   20 o  275.174   16.129  1495.14  138.702  1045.04  239.648  1721.86  170.085  239.601   28.299  310.747   15.486 -71.14606 32.25874 
1 1 1   -9   15   22 o  119.760   14.345  299.834   52.252  173.226   89.011  366.402   64.543   96.017   25.714  143.503   12.725 -47.48635 28.69063 
1 1 1   -9   15   24 o  394.874   16.221  2887.34  210.452  2635.17  364.077  3013.87  257.904  379.763   27.124  409.985   17.798 -30.22131 32.44224 
1 1 1   -9   15   26 f  548.586   19.161  5566.17  364.907  4393.01  514.928  6749.67  517.192  487.857   29.863  609.315   24.015 -121.4587 38.32151 
1 1 1   -9   15   28 o  234.694   16.416  1004.82  135.422  888.242  191.764  1120.80  191.270  220.668   24.587  248.721   21.758 -28.05217 32.83172 
1 1 1   -9   15   30 o  127.253   15.299  298.324   67.245  319.701   95.669  277.448   94.539  132.885   20.369  121.621   22.831 11.26408 30.59706 
1 1 1   -9   15   32 o  224.098   15.945  917.983  126.216  882.451  178.636  953.404  178.358  219.613   23.014  228.583   22.076 -8.969925 31.89053 
1 1 1   -9   15   34 o  165.279   15.035  558.478   74.706  369.757  126.697  659.064   92.497  138.819   26.793  191.740   13.649 -52.92096 30.06923 
1 1 1   -9   15   36 o  222.624   13.998  933.832  102.238  833.217  175.774  985.276  125.686  211.677   23.494  233.572   15.225 -21.89476 27.99577 
1 1 1   -9   15   38 o  128.441   13.239  302.253   57.190  309.625   97.373  298.371   70.662  128.830   21.385  128.053   15.613 0.7778015 26.47750 
1 1 1   -9   15   40 o  115.294   23.083  263.105   90.781   0.0000   0.0000  263.105   90.781  ?   ?   115.294   23.083      ?      ? 
1 1 1   -9   16    1 o  402.914   18.219  2915.26  259.093  3081.45  365.699  2747.76  367.131  414.641   24.953  391.186   26.553 23.45523 36.43828 
1 1 1   -9   16    3 o  224.737   13.564  898.626  101.777  903.927  175.701  895.949  124.858  224.934   22.100  224.540   15.733 0.3936157 27.12828 
1 1 1   -9   16    5 o  373.615   17.481  2501.48  230.799  2448.57  326.635  2554.25  326.164  369.609   25.003  377.620   24.438 -8.010406 34.96247 
1 1 1   -9   16    7 o  253.861   16.441  1158.32  146.582  1011.03  207.458  1305.16  207.140  237.468   24.717  270.254   21.686 -32.78642 32.88187 
1 1 1   -9   16    9 o  348.024   24.106  2172.16  296.518   0.0000   0.0000  2172.16  296.518  ?   ?   348.024   24.106      ?      ? 
1 1 1   -9   16   11 f  455.657   26.376  3740.46  424.790   0.0000   0.0000  3740.46  424.790  ?   ?   455.657   26.376      ?      ? 
1 1 1   -9   16   13 o  256.452   22.606  1180.51  204.900   0.0000   0.0000  1180.51  204.900  ?   ?   256.452   22.606      ?      ? 
1 1 1   -9   16   15 o  419.984   16.260  3144.88  241.369   0.0000   0.0000  3144.88  241.369  ?   ?   419.984   16.260      ?      ? 
1 1 1   -9   16   17 o   84.695   13.438  148.369   39.667   69.679   67.592  189.709   48.991   66.123   23.283  103.267   13.423 -37.14426 26.87535 
1 1 1   -9   16   19 o  340.560   18.216  2152.01  211.213  1506.37  298.742  2797.30  298.659  286.935   29.457  394.185   21.437 -107.2506 36.43154 
1 1 1   -9   16   21 o  226.964   13.780  942.993  103.280  874.988  178.039  977.484  126.794  219.964   22.900  233.965   15.333 -14.00189 27.55960 
1 1 1   -9   16   23 o  374.481   15.436  2588.89  190.221  2378.29  328.828  2694.81  233.201  361.147   25.761  387.816   17.013 -26.66919 30.87202 
1 1 1   -9   16   25 o  165.880   15.542  498.788   91.000  471.521  128.987  525.807  128.402  161.241   22.633  170.519   21.305 -9.277817 31.08323 
1 1 1   -9   16   27 o   75.245   15.865  105.048   45.468  115.920   59.953   90.328   69.758   78.689   21.116   71.802   23.683 6.887009 31.73027 
1 1 1   -9   16   29 o  423.407   15.782  3396.69  217.634  2891.23  373.990  3655.49  267.613  395.892   26.728  450.922   16.791 -55.03012 31.56457 
1 1 1   -9   16   31 o  297.824   14.785  1699.45  142.656  1374.96  243.351  1869.35  176.085  273.040   25.217  322.608   15.443 -49.56815 29.56953 
1 1 1   -9   16   33 o  304.812   17.136  1738.00  180.971  1359.49  255.885  2116.80  255.980  269.667   26.847  339.956   21.304 -70.28925 34.27280 
1 1 1   -9   16   35 o  129.970   13.889  328.779   57.458  267.902   95.916  362.853   71.759  118.056   23.809  141.883   14.310 -23.82670 27.77793 
1 1 1   -9   16   37 o   94.343   14.016  157.234   45.984  102.075   58.561  245.944   74.265   73.079   21.340  115.606   18.175 -42.52695 28.03110 
1 1 1   -9   16   39 o  235.335   23.745  1074.52  197.505   0.0000   0.0000  1074.52  197.505  ?   ?   235.335   23.745      ?      ? 
1 1 1   -9   17    2 o   94.312   12.967  167.273   39.969  145.077   67.867  179.060   49.455   88.257   21.868  100.368   13.941 -12.11040 25.93404 
1 1 1   -9   17    4 o  236.676   14.100  996.559  111.524  1017.57  192.811  985.997  136.714  238.095   22.912  235.257   16.442 2.838150 28.20085 
1 1 1   -9   17    6 o  489.172   16.153  4253.00  264.497  4430.98  457.753  4163.79  324.072  495.594   26.133  482.750   18.993 12.84384 32.30579 
1 1 1   -9   17    8 o  258.562   13.706  1159.84  119.679  1315.36  206.942  1081.69  146.700  270.824   21.619  246.300   16.852 24.52475 27.41122 
1 1 1   -9   17   10 o  255.644   14.992  1163.57  135.463   0.0000   0.0000  1163.57  135.463  ?   ?   255.644   14.992      ?      ? 
1 1 1   -9   17   12 o  565.155   20.555  5813.41  410.462  5977.10  580.652  5649.92  580.311  573.339   28.654  556.970   29.479 16.36957 41.11011 
1 1 1   -9   17   14 o  300.786   16.044  1642.30  168.391  1940.60  238.396  1345.28  237.887  328.779   20.515  272.793   24.673 55.98639 32.08768 
1 1 1   -9   17   16 o  131.180   21.245  309.700   98.503   0.0000   0.0000  309.700   98.503  ?   ?   131.180   21.245      ?      ? 
1 1 1   -9   17   18 o  518.896   28.148  4923.79  516.229   0.0000   0.0000  4923.79  516.229  ?   ?   518.896   28.148      ?      ? 
1 1 1   -9   17   20 o  467.975   18.965  3935.68  313.688   0.0000   0.0000  3935.68  313.688  ?   ?   467.975   18.965      ?      ? 
1 1 1   -9   17   22 o  362.236   16.043  2348.65  205.396   0.0000   0.0000  2348.65  205.396  ?   ?   362.236   16.043      ?      ? 
1 1 1   -9   17   24 f  167.554   13.277  518.039   73.565  467.167  125.393  544.738   90.841  160.533   22.100  174.574   14.723 -14.04041 26.55476 
1 1 1   -9   17   26 o  229.820   11.909  944.896   91.881  959.263  157.083  937.425  113.281  230.584   19.274  229.057   13.993 1.527527 23.81784 
1 1 1   -9   17   28 o   66.202   12.378   80.337   29.240   94.031   44.790   70.167   38.600   70.871   17.881   61.532   17.122 9.339100 24.75692 
1 1 1   -9   17   30 f   99.951   12.229  188.957   40.514  159.635   64.074  208.490   52.295   92.006   20.252  107.896   13.713 -15.89069 24.45815 
1 1 1   -9   17   32 o  115.752   14.541  201.993   53.917  119.587   63.234  421.474  103.198   79.405   21.846  152.098   19.197 -72.69279 29.08195 
1 1 1   -9   17   34 o  170.662   15.396  532.618   92.236  461.647  123.134  623.349  139.225  157.762   22.083  183.562   21.459 -25.80095 30.79211 
1 1 1   -9   17   36 f  162.508   22.074  496.462  126.790  496.462  126.790   0.0000   0.0000  162.508   22.074  ?   ?       ?      ? 
1 1 1   -9   17   38 o  327.037   25.180  2106.56  291.049   0.0000   0.0000  2106.56  291.049  ?   ?   327.037   25.180      ?      ? 
1 1 1   -9   17   40 o  220.119   23.600  973.344  183.607   0.0000   0.0000  973.344  183.607  ?   ?   220.119   23.600      ?      ? 
1 1 1   -9   18    1 o  174.633   14.331  538.421   84.068  574.398  145.230  520.292  103.096  178.581   23.009  170.684   17.090 7.897278 28.66127 
1 1 1   -9   18    3 o  115.297   13.051  228.995   51.204  270.167   87.526  207.572   63.135  122.748   20.174  107.847   16.563 14.90121 26.10260 
1 1 1   -9   18    5 o  367.165   14.347  2381.53  176.827  2534.10  305.741  2304.85  216.756  375.081   23.063  359.250   17.071 15.83038 28.69318 
1 1 1   -9   18    7 o   73.977   14.113   99.539   36.451  106.876   61.977   95.659   45.070   76.198   21.869   71.756   17.846 4.441643 28.22597 
1 1 1   -9   18    9 o  228.528   13.010  917.115  100.057  992.751  172.747  878.928  122.744  235.079   20.791  221.977   15.645 13.10191 26.01974 
1 1 1   -9   18   11 o   71.772   14.825   90.803   43.141   38.911   61.555  140.897   60.479   56.648   21.804   86.896   20.093 -30.24825 29.64995 
1 1 1   -9   18   13 o  330.550   15.068  1967.25  166.060  1969.64  286.796  1966.05  203.676  329.662   24.614  331.437   17.387 -1.775055 30.13559 
1 1 1   -9   18   15 o  299.600   15.293  1657.01  150.737  1510.03  260.165  1731.28  184.943  288.158   25.545  311.043   16.823 -22.88416 30.58639 
1 1 1   -9   18   17 o  121.214   16.378  274.783   68.058  206.745   96.411  342.365   96.087  104.494   26.163  137.933   19.709 -33.43865 32.75637 
1 1 1   -9   18   19 o  217.323   15.478  857.673  118.110  969.402  167.194  746.374  166.873  231.836   20.404  202.810   23.280 29.02596 30.95598 
1 1 1   -9   18   21 o  261.070   22.828  1237.13  210.638   0.0000   0.0000  1237.13  210.638  ?   ?   261.070   22.828      ?      ? 
1 1 1   -9   18   23 o  234.727   22.478  1000.54  186.482   0.0000   0.0000  1000.54  186.482  ?   ?   234.727   22.478      ?      ? 
1 1 1   -9   18   25 o  171.797   16.885  530.599  102.525   0.0000   0.0000  530.599  102.525  ?   ?   171.797   16.885      ?      ? 
1 1 1   -9   18   27 o  423.281   26.663  3316.18  398.892   0.0000   0.0000  3316.18  398.892  ?   ?   423.281   26.663      ?      ? 
1 1 1   -9   18   29 o  485.543   18.346  4381.87  313.123  3836.84  438.574  4948.54  447.198  453.390   27.369  517.697   24.440 -64.30743 36.69273 
1 1 1   -9   18   31 o  228.372   15.644  952.568  125.589  832.396  169.211  1099.96  187.397  212.302   22.551  244.443   21.690 -32.14166 31.28881 
1 1 1   -9   18   33 o  144.281   14.365  412.538   66.044  302.386  105.199  484.196   84.848  124.922   24.701  163.639   14.670 -38.71703 28.72915 
1 1 1   -9   18   35 o  160.884   14.406  487.060   78.342  471.563  129.809  495.939   98.254  157.493   23.320  164.275   16.922 -6.782028 28.81271 
1 1 1   -9   18   37 o  110.396   14.341  239.026   52.313  222.761   86.035  248.567   65.894  105.029   23.735  115.764   16.105 -10.73515 28.68290 
1 1 1   -9   18   39 o   36.834   14.118   18.285   25.741   0.0000   0.0000   18.285   25.741  ?   ?    36.834   14.118      ?      ? 
1 1 1   -9   19    2 o  272.339   13.467  1286.93  124.080  1481.26  214.213  1188.81  152.216  286.827   21.130  257.852   16.702 28.97482 26.93418 
1 1 1   -9   19    4 o  427.735   15.059  3217.54  216.916  3550.04  375.300  3050.74  265.811  442.863   23.977  412.607   18.227 30.25653 30.11821 
1 1 1   -9   19    6 o  171.117   15.122  530.135   90.705  607.643  128.388  452.896  128.164  183.907   19.752  158.327   22.903 25.58054 30.24360 
1 1 1   -9   19    8 o  104.288   15.664  203.508   55.967  215.824   79.203  191.225   79.096  107.602   21.577  100.973   22.713 6.629219 31.32801 
1 1 1   -9   19   10 o  420.149   18.255  3212.59  271.076  3182.12  383.447  3243.04  383.272  418.095   25.948  422.203   25.684 -4.107880 36.51017 
1 1 1   -9   19   12 o  132.935   12.120  309.189   54.961  344.254   92.500  290.055   68.331  138.432   18.905  127.438   15.170 10.99466 24.23944 
1 1 1   -9   19   14 o  566.930   17.154  5726.03  326.897  6212.82  565.504  5481.73  400.613  582.475   27.469  551.385   20.557 31.08954 34.30889 
1 1 1   -9   19   16 o  487.057   19.173  4354.59  328.920  4760.21  465.321  3949.52  465.006  510.598   25.784  463.517   28.384 47.08099 38.34676 
1 1 1   -9   19   18 o   77.280   14.219  113.507   38.559   99.091   63.775  121.813   48.409   73.681   22.457   80.879   17.447 -7.197754 28.43798 
1 1 1   -9   19   20 o  392.647   15.888  2806.69  207.569  2774.99  358.433  2822.68  254.606  389.171   26.058  396.123   18.185 -6.951813 31.77642 
1 1 1   -9   19   22 o  152.554   15.109  477.348   69.108  305.541  117.146  569.054   85.587  126.619   27.001  178.489   13.567 -51.87001 30.21735 
1 1 1   -9   19   24 o  175.926   21.839  563.656  135.796  563.656  135.796   0.0000   0.0000  175.926   21.839  ?   ?       ?      ? 
1 1 1   -9   19   26 o  103.819   22.552  204.366   80.386  204.366   80.386   0.0000   0.0000  103.819   22.552  ?   ?       ?      ? 
1 1 1   -9   19   30 o  330.635   15.178  1974.16  177.375   0.0000   0.0000  1974.16  177.375  ?   ?   330.635   15.178      ?      ? 
1 1 1   -9   19   32 o  210.745   13.394  801.247   99.768   0.0000   0.0000  801.247   99.768  ?   ?   210.745   13.394      ?      ? 
1 1 1   -9   19   34 o  171.062   13.292  573.762   74.823  442.503  121.168  654.666   95.128  152.521   22.477  189.604   14.195 -37.08337 26.58421 
1 1 1   -9   19   36 o  164.153   13.767  536.886   74.391  427.566  121.294  602.799   94.184  147.594   23.251  180.712   14.746 -33.11786 27.53311 
1 1 1   -9   19   38 o  146.525   22.716  431.810  117.642   0.0000   0.0000  431.810  117.642  ?   ?   146.525   22.716      ?      ? 
1 1 1   -9   20    1 o  375.664   15.125  2486.62  191.406  2751.35  331.045  2353.67  234.594  389.260   24.062  362.069   18.332 27.19098 30.24936 
1 1 1   -9   20    3 o  177.506   13.920  546.601   83.703  638.397  144.386  500.136  102.726  187.975   21.732  167.036   17.400 20.93936 27.83970 
1 1 1   -9   20    5 o  174.119   12.592  548.547   72.907  529.502  125.419  558.268   89.602  171.361   20.708  176.876   14.333 -5.514664 25.18387 
1 1 1   -9   20    7 o  224.852   14.514  875.037  110.572  1039.69  191.152  792.239  135.551  239.645   22.568  210.058   18.258 29.58658 29.02840 
1 1 1   -9   20    9 o  146.490   21.431  387.727  110.959   0.0000   0.0000  387.727  110.959  ?   ?   146.490   21.431      ?      ? 
1 1 1   -9   20   11 o  215.076   15.739  837.906  119.588  810.529  169.201  865.232  169.044  211.475   22.637  218.676   21.871 -7.201096 31.47707 
1 1 1   -9   20   13 o  292.816   15.302  1535.19  150.237  1603.94  259.111  1500.37  184.397  296.659   24.712  288.973   18.054 7.686737 30.60446 
1 1 1   -9   20   15 f  147.141   12.145  387.842   60.246  390.961  101.904  386.167   74.699  147.258   19.579  147.025   14.375 0.2330017 24.28942 
1 1 1   -9   20   17 o  520.050   17.806  5068.94  303.675  4583.32  524.834  5313.34  372.331  497.320   29.858  542.779   19.408 -45.45917 35.61180 
1 1 1   -9   20   19 o  134.222   17.630  340.731   80.775  384.562  109.849  289.132  119.186  145.597   21.346  122.848   28.064 22.74920 35.26015 
1 1 1   -9   20   21 o  132.144   15.174  317.252   68.524  258.055   91.545  392.686  103.340  117.046   22.949  147.242   19.857 -30.19616 30.34720 
1 1 1   -9   20   23 o   70.277   15.854   89.201   43.456   93.350   54.035   81.604   73.115   70.844   20.445   69.710   24.236 1.134369 31.70765 
1 1 1   -9   20   25 o  402.108   15.872  2996.59  211.510  2874.72  364.547  3058.43  259.689  393.168   26.233  411.048   17.875 -17.87982 31.74429 
1 1 1   -9   20   27 o   38.500   9.5094   23.424   16.191   15.836   23.645   30.123   22.216   35.521   13.551   41.479   13.345 -5.957764 19.01880 
1 1 1   -9   20   29 o  251.074   16.303  1175.45  144.642  1147.83  204.536  1203.09  204.573  247.961   23.338  254.186   22.771 -6.225174 32.60638 
1 1 1   -9   20   31 f  166.739   15.613  522.065   91.979  507.420  130.040  536.727  130.117  164.255   22.399  169.222   21.755 -4.966827 31.22512 
1 1 1   -9   20   33 o   64.551   19.948   79.231   50.113   0.0000   0.0000   79.231   50.113  ?   ?    64.551   19.948      ?      ? 
1 1 1   -9   20   35 o   66.283   20.237   86.138   51.757   0.0000   0.0000   86.138   51.757  ?   ?    66.283   20.237      ?      ? 
1 1 1   -9   21    2 o  206.865   13.249  749.965   92.550  837.275  159.542  705.682  113.621  215.238   20.972  198.492   16.196 16.74663 26.49732 
1 1 1   -9   21    4 o  125.044   13.976  269.831   59.541  327.478  101.790  239.848   73.410  134.548   21.405  115.541   17.976 19.00732 27.95178 
1 1 1   -9   21    6 o  107.355   14.549  208.638   51.722  223.457   88.001  200.817   63.930  108.911   23.547  105.800   17.096 3.110237 29.09871 
1 1 1   -9   21    8 o  222.648   22.295  898.880  175.444   0.0000   0.0000  898.880  175.444  ?   ?   222.648   22.295      ?      ? 
1 1 1   -9   21   10 o  147.752   16.015  406.203   79.991  493.990  113.159  318.523  113.090  165.552   19.339  129.952   25.532 35.59927 32.02970 
1 1 1   -9   21   12 o  284.074   14.419  1463.73  136.497  1441.48  234.878  1475.07  167.727  281.365   23.618  286.782   16.547 -5.416901 28.83829 
1 1 1   -9   21   14 o  271.499   17.452  1353.46  166.554  1478.83  232.410  1221.10  238.807  285.052   23.068  257.945   26.194 27.10687 34.90342 
1 1 1   -9   21   16 f  236.926   14.904  1019.09  123.458  834.380  170.953  1220.42  178.482  214.011   22.601  259.842   19.434 -45.83147 29.80730 
1 1 1   -9   21   18 o  368.683   16.819  2490.17  218.438  2240.96  306.071  2748.86  311.845  349.318   24.790  388.047   22.737 -38.72949 33.63823 
1 1 1   -9   21   20 o  177.387   13.831  573.576   82.253  560.817  139.495  580.377  101.841  175.126   22.537  179.648   16.039 -4.522217 27.66135 
1 1 1   -9   21   22 o  137.545   15.883  353.898   74.568  295.530  105.408  412.371  105.503  124.525   24.821  150.564   19.825 -26.03901 31.76648 
1 1 1   -9   21   24 o  308.716   16.884  1765.64  184.171  1716.45  260.411  1814.86  260.501  304.209   24.220  313.223   23.531 -9.014099 33.76812 
1 1 1   -9   21   26 o  220.712   15.966  903.512  124.524  883.987  176.107  923.036  176.101  218.209   22.834  223.215   22.321 -5.005920 31.93172 
1 1 1   -9   21   28 o  132.170   14.596  343.464   62.395  271.015   99.954  389.720   79.867  117.836   24.785  146.503   15.424 -28.66702 29.19241 
1 1 1   -9   21   30 o   52.980   12.091   50.809   25.920   43.511   38.096   57.100   35.368   50.580   17.499   55.381   16.689 -4.801239 24.18180 
1 1 1   -9   21   32 o   73.252   14.413  106.134   38.630   97.785   58.808  112.472   51.234   70.724   21.567   75.779   19.127 -5.054657 28.82672 
1 1 1   -9   21   34 o   60.063   13.643   69.386   32.849   70.322   46.357   68.441   46.555   60.382   19.261   59.744   19.328 0.6377869 27.28614 
1 1 1   -9   22    1 o  151.669   15.502  411.994   83.101   0.0000   0.0000  411.994   83.101  ?   ?   151.669   15.502      ?      ? 
1 1 1   -9   22    3 o  224.040   13.676  886.077  103.560  972.079  177.511  841.702  127.509  231.512   21.694  216.569   16.658 14.94347 27.35142 
1 1 1   -9   22    5 o  135.355   12.793  323.680   58.978  352.122   99.168  308.115   73.362  139.586   20.101  131.125   15.829 8.461151 25.58537 
1 1 1   -9   22    7 o  113.878   22.472  243.339   87.235   0.0000   0.0000  243.339   87.235  ?   ?   113.878   22.472      ?      ? 
1 1 1   -9   22    9 o  322.720   16.194  1899.00  184.004  1696.51  258.106  2108.26  262.388  304.751   23.963  340.688   21.790 -35.93634 32.38870 
1 1 1   -9   22   11 o  285.866   23.303  1492.03  235.452  1492.03  235.452   0.0000   0.0000  285.866   23.303  ?   ?       ?      ? 
1 1 1   -9   22   13 o  181.087   21.863  597.012  139.933  597.012  139.933   0.0000   0.0000  181.087   21.863  ?   ?       ?      ? 
1 1 1   -9   22   15 o  247.481   13.934  1136.76  113.991  1029.52  194.468  1192.89  140.696  237.178   23.198  257.784   15.442 -20.60622 27.86774 
1 1 1   -9   22   17 o   88.483   12.830  153.450   38.218  108.101   61.089  182.614   48.988   75.977   21.681  100.989   13.725 -25.01242 25.66018 
1 1 1   -9   22   19 o  190.602   13.411  704.000   82.276  534.490  138.930  795.560  102.106  170.521   23.052  210.682   13.712 -40.16165 26.82153 
1 1 1   -9   22   21 o  209.955   13.644  827.299   94.541  730.145  160.357  879.058  117.046  198.958   22.804  220.952   14.988 -21.99420 27.28827 
1 1 1   -9   22   23 o  218.666   14.064  873.656  103.350  886.140  175.896  867.074  127.722  218.633   22.763  218.699   16.523 -0.6568909E-01 28.12751 
1 1 1   -9   22   25 o  119.210   13.920  281.330   53.482  209.812   85.619  327.091   68.488  103.895   23.824  134.525   14.404 -30.63024 27.83997 
1 1 1   -9   22   27 o  263.733   14.753  1289.98  131.353  1334.73  222.153  1265.92  162.873  265.129   23.707  262.336   17.566 2.793182 29.50554 
1 1 1   -9   22   29 o  193.047   19.790  764.306  127.572  856.386  170.247  646.396  192.652  211.118   22.816  174.976   32.343 36.14247 39.58026 
1 1 1   -9   22   31 o   26.830   7.4561   5.3300   10.947   15.426   15.599  -4.4666   15.366   31.304   11.168   22.356   9.8821 8.948187 14.91226 
1 1 1   -9   22   33 o   39.369   9.9141   25.411   17.501   20.196   25.047   30.387   24.465   37.261   14.009   41.477   14.032 -4.215836 19.82822 
1 1 1   -9   23    2 f  114.156   22.527  245.424   87.663   0.0000   0.0000  245.424   87.663  ?   ?   114.156   22.527      ?      ? 
1 1 1   -9   23    6 o  278.141   23.898  1417.97  234.933   0.0000   0.0000  1417.97  234.933  ?   ?   278.141   23.898      ?      ? 
1 1 1   -9   23    8 o  118.678   22.577  265.037   91.241  265.037   91.241   0.0000   0.0000  118.678   22.577  ?   ?       ?      ? 
1 1 1   -9   23   10 o  177.695   13.935  568.158   83.463  588.093  142.016  557.640  103.157  179.391   22.398  176.000   16.583 3.390793 27.86921 
1 1 1   -9   23   12 o  220.131   15.841  887.102  123.138  929.286  174.157  844.930  174.131  225.551   21.846  214.710   22.946 10.84091 31.68223 
1 1 1   -9   23   14 o  114.987   14.628  243.518   55.855  250.662   92.941  239.479   69.883  114.815   23.689  115.159   17.169 -0.3439331 29.25657 
1 1 1   -9   23   16 o  112.493   13.742  235.679   51.486  227.064   83.434  240.978   65.430  109.387   22.336  115.599   16.014 -6.212204 27.48334 
1 1 1   -9   23   18 o   63.157   12.480   75.776   29.214   58.997   45.278   87.743   38.238   57.945   19.079   68.369   16.092 -10.42387 24.95908 
1 1 1   -9   23   20 o   91.806   14.681  163.078   45.621  147.969   73.705  172.462   58.085   87.678   23.362   95.934   17.786 -8.255936 29.36213 
1 1 1   -9   23   22 o  166.864   14.074  518.812   78.699  494.370  132.368  532.175   97.877  162.621   23.030  171.108   16.184 -8.486572 28.14765 
1 1 1   -9   23   24 o   63.008   12.757   75.402   30.172   61.657   44.413   87.182   41.116   58.324   18.879   67.692   17.162 -9.367886 25.51333 
1 1 1   -9   23   26 o  148.324   13.689  416.176   68.826  393.257  112.513  429.881   87.003  143.755   22.144  152.892   16.100 -9.137482 27.37845 
1 1 1   -9   23   28 o  158.214   15.856  486.207   88.668  483.600  125.210  488.829  125.582  157.770   22.454  158.658   22.395 -0.8886566 31.71287 
1 1 1   -9   23   30 f  118.013   18.065  267.547   69.184  219.081   82.928  378.516  125.481  103.078   23.309  132.949   27.607 -29.87085 36.13072 
1 1 1   -9   24    1 o  202.021   15.360  743.930  109.354  669.377  150.121  828.212  159.616  191.117   22.224  212.925   21.209 -21.80832 30.72049 
1 1 1   -9   24    3 o  300.496   14.003  1624.21  141.708  1702.93  242.260  1583.27  174.716  304.732   22.493  296.260   16.685 8.471252 28.00593 
1 1 1   -9   24    5 o  228.960   16.029  963.358  129.413  1035.85  182.984  890.816  183.052  237.922   21.760  219.997   23.542 17.92505 32.05786 
1 1 1   -9   24    7 o  249.221   22.835  1141.19  201.144   0.0000   0.0000  1141.19  201.144  ?   ?   249.221   22.835      ?      ? 
1 1 1   -9   24    9 o  222.415   22.469  908.875  176.633   0.0000   0.0000  908.875  176.633  ?   ?   222.415   22.469      ?      ? 
1 1 1   -9   24   11 o  295.061   16.977  1575.08  177.046   0.0000   0.0000  1575.08  177.046  ?   ?   295.061   16.977      ?      ? 
1 1 1   -9   24   13 o   84.071   16.776  132.204   48.103   0.0000   0.0000  132.204   48.103  ?   ?    84.071   16.776      ?      ? 
1 1 1   -9   24   15 o  141.358   13.480  385.921   61.064  314.108  100.545  427.888   76.863  128.530   22.976  154.185   14.104 -25.65506 26.95984 
1 1 1   -9   24   17 o  152.029   13.639  434.047   69.289  388.968  115.132  459.645   86.760  144.688   22.514  159.370   15.403 -14.68172 27.27817 
1 1 1   -9   24   19 o  171.262   13.779  528.117   80.525  588.877  135.272  494.768  100.216  177.943   21.508  164.580   17.228 13.36263 27.55767 
1 1 1   -9   24   21 o  277.615   14.246  1471.12  130.137  1319.09  222.286  1550.40  160.521  263.607   23.858  291.622   15.574 -28.01514 28.49123 
1 1 1   -9   24   23 o  116.320   14.235  262.849   55.345  232.076   86.496  284.181   72.017  108.395   23.272  124.245   16.400 -15.85037 28.47020 
1 1 1   -9   24   25 o  122.392   16.454  298.987   68.559  285.587   96.903  312.416   97.010  119.257   23.823  125.527   22.701 -6.269379 32.90736 
1 1 1   -9   24   27 o  120.512   14.264  289.602   57.100  257.259   90.073  311.333   73.831  112.156   23.476  128.868   16.210 -16.71233 28.52816 
1 1 1   -9   25    2 o  120.802   13.266  283.436   51.315  226.383   84.396  316.900   64.636  108.837   22.675  132.768   13.774 -23.93094 26.53105 
1 1 1   -9   25    4 o   57.817   13.039   58.969   29.758   68.103   46.044   52.417   38.996   61.185   19.156   54.448   17.695 6.737385 26.07846 
1 1 1   -9   25    6 o   50.550   17.311   42.932   37.239   0.0000   0.0000   42.932   37.239  ?   ?    50.550   17.311      ?      ? 
1 1 1   -9   25    8 o  226.247   13.066  931.390   99.606  941.929  168.555  925.735  123.471  226.157   21.087  226.337   15.434 -0.1799469 26.13186 
1 1 1   -9   25   10 o  179.096   15.640  594.986   98.745  641.999  139.658  547.988  139.636  186.521   21.185  171.670   23.013 14.85028 31.27940 
1 1 1   -9   25   12 o  110.010   16.056  232.578   60.363  238.548   85.469  226.637   85.264  111.534   22.458  108.485   22.953 3.048225 32.11251 
1 1 1   -9   25   14 o  199.477   22.395  742.776  157.896   0.0000   0.0000  742.776  157.896  ?   ?   199.477   22.395      ?      ? 
1 1 1   -9   25   16 o  119.167   23.001  274.773   93.369   0.0000   0.0000  274.773   93.369  ?   ?   119.167   23.001      ?      ? 
1 1 1   -9   25   18 o   94.105   15.302  161.624   50.895   0.0000   0.0000  161.624   50.895  ?   ?    94.105   15.302      ?      ? 
1 1 1   -9   25   20 o  125.877   14.856  290.071   66.094   0.0000   0.0000  290.071   66.094  ?   ?   125.877   14.856      ?      ? 
1 1 1   -9   25   22 o   31.175   8.7753   9.5251   14.571   6.0889   20.860   12.799   20.361   29.980   12.302   32.370   12.517 -2.390694 17.55069 
1 1 1   -9   25   24 o   99.469   15.710  197.327   53.337  225.475   82.723  177.299   69.778  105.211   22.896   93.728   21.518 11.48352 31.42062 
1 1 1   -9   26    1 o   97.584   13.245  156.999   43.666   85.317   53.667  297.395   75.107   67.490   20.608  127.679   16.644 -60.18851 26.48921 
1 1 1   -9   26    3 o  185.088   14.487  613.999   91.311  713.302  155.230  561.460  112.912  195.275   22.491  174.902   18.265 20.37326 28.97351 
1 1 1   -9   26    5 o   40.807   15.247   23.321   29.578   0.0000   0.0000   23.321   29.578  ?   ?    40.807   15.247      ?      ? 
1 1 1   -9   26    7 o  184.652   13.734  612.157   86.216  694.316  146.583  568.700  106.606  192.967   21.492  176.337   17.105 16.62920 27.46794 
1 1 1   -9   26    9 o  131.454   13.222  316.750   59.299  326.048   97.947  311.370   74.505  132.268   20.951  130.639   16.136 1.628662 26.44476 
1 1 1   -9   26   11 o  213.322   13.555  845.341   97.120  835.522  164.186  850.625  120.453  210.777   22.039  215.867   15.787 -5.089905 27.11019 
1 1 1   -9   26   13 o  212.309   16.135  857.538  120.611  938.364  170.597  776.763  170.542  223.074   21.637  201.544   23.941 21.53055 32.26982 
1 1 1   -9   26   15 o  211.424   13.584  836.611   96.535  834.479  163.187  837.758  119.733  209.353   22.054  213.494   15.867 -4.141449 27.16893 
1 1 1   -9   26   17 o   90.875   15.680  164.595   50.057  146.679   70.536  182.772   71.049   85.600   22.876   96.151   21.452 -10.55095 31.36083 
1 1 1   -9   26   19 o   63.761   14.043   78.343   35.087   83.049   49.523   73.600   49.719   65.361   19.760   62.161   19.959 3.199409 28.08637 
1 1 1   -9   26   21 o   52.072   17.838   48.881   39.539   0.0000   0.0000   48.881   39.539  ?   ?    52.072   17.838      ?      ? 
1 1 1   -9   27    2 o   68.498   15.915   88.658   43.909   96.026   54.395   74.880   74.391   70.502   20.561   66.494   24.298 4.007965 31.83021 
1 1 1   -9   27    4 o  230.988   14.344  973.661  117.106   0.0000   0.0000  973.661  117.106  ?   ?   230.988   14.344      ?      ? 
1 1 1   -9   27    6 o  164.090   13.642  480.117   76.819  612.689  128.982  407.243   95.629  180.326   20.237  147.855   18.299 32.47057 27.28382 
1 1 1   -9   27    8 o  107.920   13.520  225.515   48.274  206.337   78.374  237.239   61.278  102.176   22.326  113.663   15.253 -11.48746 27.03933 
1 1 1   -9   27   10 o  179.650   13.135  601.791   79.846  618.020  134.074  592.872   99.393  180.024   21.072  179.276   15.686 0.7478638 26.26906 
1 1 1   -9   27   12 o  245.074   13.998  1126.48  115.715  1192.10  196.890  1091.86  143.023  247.989   22.463  242.158   16.710 5.830963 27.99695 
1 1 1   -9   27   14 o  120.299   13.393  287.924   52.247  241.207   84.718  316.599   66.373  109.540   22.631  131.058   14.329 -21.51797 26.78531 
1 1 1   -9   27   16 o  179.226   13.871  606.758   84.868  663.882  141.576  574.718  106.030  183.989   21.771  174.464   17.195 9.525238 27.74250 
1 1 1   -9   27   18 o   88.131   13.557  158.552   41.070  126.000   65.094  180.080   52.936   78.219   22.401   98.043   15.276 -19.82394 27.11408 
1 1 1   -9   28    1 o   51.481   12.095   48.428   26.084   36.401   39.154   58.026   34.977   47.798   17.603   55.165   16.590 -7.366913 24.18921 
1 1 1   -9   28    3 f  124.244   15.680  298.944   66.614  239.083   87.682  380.658  102.443  108.202   23.593  140.286   20.661 -32.08434 31.36040 
1 1 1   -9   28    5 o   73.939   13.399  108.184   34.840  106.305   54.347  109.495   45.394   73.037   20.314   74.841   17.478 -1.804031 26.79786 
1 1 1   -9   28    7 f   87.225   14.168  150.145   42.027  159.368   67.046  144.176   53.940   88.761   21.581   85.690   18.362 3.070992 28.33532 
1 1 1   -9   28    9 o  130.747   13.534  324.748   60.130  342.114  100.486  315.061   75.049  132.049   21.530  129.445   16.404 2.604156 27.06707 
1 1 1   -9   28   11 o  111.996   13.810  257.739   50.103  202.444   81.122  291.841   63.707   98.695   23.578  125.297   14.385 -26.60258 27.62040 
1 1 1   -9   28   13 o  111.775   14.089  259.450   51.150  201.984   82.672  295.092   65.107   97.890   24.064  125.659   14.659 -27.76884 28.17762 
1 1 1   -8    0    2 o  287.391   11.587  1476.02  165.216  1476.02  165.216  1476.02  165.216  287.391   16.387  287.391   16.387 -0.000000 0.000000 
1 1 1   -8    0    4 o   65.445   13.232   92.166   37.518   92.166   37.518   92.166   37.518   65.445   18.713   65.445   18.713 -0.000000 0.000000 
1 1 1   -8    0    6 o   52.815   13.121   64.732   31.413   64.732   31.413   64.732   31.413   52.815   18.555   52.815   18.555 -0.000000 0.000000 
1 1 1   -8    0    8 o  413.154   18.107  3061.88  370.641  3061.88  370.641  3061.88  370.641  413.154   25.607  413.154   25.607 -0.000000 0.000000 
1 1 1   -8    0   10 o  404.818   12.599  2917.20  253.821  2917.20  253.821  2917.20  253.821  404.818   17.818  404.818   17.818 -0.000000 0.000000 
1 1 1   -8    0   12 o  282.966   16.590  1446.86  230.933  1446.86  230.933  1446.86  230.933  282.966   23.462  282.966   23.462 -0.000000 0.000000 
1 1 1   -8    0   14 o  183.516   16.288  623.660  143.025  623.660  143.025  623.660  143.025  183.516   23.035  183.516   23.035 -0.000000 0.000000 
1 1 1   -8    0   16 o   54.937   16.934   76.478   48.279   76.478   48.279   76.478   48.279   54.937   23.949   54.937   23.949 -0.000000 0.000000 
1 1 1   -8    0   26 o  128.074   17.710  321.796  100.969  321.796  100.969  321.796  100.969  128.074   25.045  128.074   25.045 -0.000000 0.000000 
1 1 1   -8    0   28 o  977.312   28.904 17194.32  1406.36 17194.32  1406.36 17194.32  1406.36  977.312   40.877  977.312   40.877 -0.000000 0.000000 
1 1 1   -8    0   30 o  698.596   23.119  8794.89  803.275  8794.89  803.275  8794.89  803.275  698.596   32.696  698.596   32.696 -0.000000 0.000000 
1 1 1   -8    0   32 o  451.322   18.778  3678.87  420.266  3678.87  420.266  3678.87  420.266  451.322   26.557  451.322   26.557 -0.000000 0.000000 
1 1 1   -8    0   34 o  197.711   16.373  725.850  156.002  725.850  156.002  725.850  156.002  197.711   23.155  197.711   23.155 -0.000000 0.000000 
1 1 1   -8    0   36 o  105.678   19.284  235.351   88.037  235.351   88.037  235.351   88.037  105.678   27.271  105.678   27.271 -0.000000 0.000000 
1 1 1   -8    0   38 o  409.910   11.930  3006.60  243.495  3006.60  243.495  3006.60  243.495  409.910   16.872  409.910   16.872 -0.000000 0.000000 
1 1 1   -8    0   40 o  267.484   10.718  1285.33  142.251  1285.33  142.251  1285.33  142.251  267.484   15.158  267.484   15.158 -0.000000 0.000000 
1 1 1   -8    0   42 o  339.277   11.446  2067.20  193.105  2067.20  193.105  2067.20  193.105  339.277   16.187  339.277   16.187 -0.000000 0.000000 
1 1 1   -8    0   44 o  122.976   11.126  282.895   65.328  282.895   65.328  282.895   65.328  122.976   15.735  122.976   15.735 -0.000000 0.000000 
1 1 1   -8    0   46 o   72.239   18.680  126.416   62.208  126.416   62.208  126.416   62.208   72.239   26.417   72.239   26.417 -0.000000 0.000000 
1 1 1   -8    1    1 o  498.036   13.442  4402.08  236.589  4323.62  334.591  4480.54  334.584  493.579   19.179  502.493   18.839 -8.914429 26.88410 
1 1 1   -8    1    3 o  636.960   15.200  7209.45  342.096  7403.72  483.814  7015.20  483.779  645.588   21.203  628.331   21.784 17.25714 30.39936 
1 1 1   -8    1    5 f  837.201   18.072 12480.82  534.705 12659.02  756.198 12302.63  756.174  843.223   25.373  831.179   25.740 12.04395 36.14327 
1 1 1   -8    1    7 f  635.114   15.241  7167.16  342.015  7371.20  483.698  6963.15  483.666  644.203   21.244  626.026   21.859 18.17761 30.48146 
1 1 1   -8    1    9 o  633.751   18.706  7148.78  394.866  7150.44  483.609  7145.45  683.935  634.607   21.561  632.894   30.575 1.713074 37.41248 
1 1 1   -8    1   11 o  183.342   12.938  589.532   79.421  576.856   97.260  614.899  137.591  180.494   15.246  186.190   20.908 -5.696060 25.87626 
1 1 1   -8    1   13 o  279.835   13.760  1376.32  128.789  1353.69  157.730  1421.59  223.080  276.523   16.139  283.146   22.291 -6.623047 27.51978 
1 1 1   -8    1   15 f  1459.10   56.277 38320.34  2902.28   0.0000   0.0000 38320.34  2902.28  ?   ?   1459.10   56.277      ?      ? 
1 1 1   -8    1   17 o  858.182   36.746 13113.60  1114.58   0.0000   0.0000 13113.60  1114.58  ?   ?   858.182   36.746      ?      ? 
1 1 1   -8    1   21 o  1003.46   41.254 17994.92  1463.15   0.0000   0.0000 17994.92  1463.15  ?   ?   1003.46   41.254      ?      ? 
1 1 1   -8    1   23 o  1723.92   66.165 54318.65  4031.49   0.0000   0.0000 54318.65  4031.49  ?   ?   1723.92   66.165      ?      ? 
1 1 1   -8    1   25 o  224.603   22.063  895.740  175.143   0.0000   0.0000  895.740  175.143  ?   ?   224.603   22.063      ?      ? 
1 1 1   -8    1   27 o  697.924   32.364  8728.43  798.336   0.0000   0.0000  8728.43  798.336  ?   ?   697.924   32.364      ?      ? 
1 1 1   -8    1   29 o  322.585   23.620  1859.98  269.307   0.0000   0.0000  1859.98  269.307  ?   ?   322.585   23.620      ?      ? 
1 1 1   -8    1   31 o  516.431   19.686  4822.61  359.250  4935.06  508.124  4710.22  507.990  522.588   27.510  510.274   28.166 12.31454 39.37186 
1 1 1   -8    1   33 f   95.032   15.641  168.871   51.550  166.940   72.946  170.798   72.859   94.475   22.219   95.589   22.019 -1.113983 31.28107 
1 1 1   -8    1   35 o  317.282   14.268  1785.92  151.664  1891.90  262.983  1733.11  185.646  323.381   23.009  311.182   16.879 12.19955 28.53605 
1 1 1   -8    1   37 o  726.718   18.984  9423.59  464.395 10499.41  804.910  8886.79  568.569  753.590   30.220  699.846   22.986 53.74396 37.96823 
1 1 1   -8    1   39 o  404.404   11.796  2936.22  168.478  3068.60  238.461  2804.27  238.066  413.645   16.311  395.163   17.045 18.48221 23.59182 
1 1 1   -8    1   41 f   65.972   11.040   81.607   25.377   73.277   36.801   89.159   35.041   62.694   16.415   69.250   14.767 -6.555939 22.07971 
1 1 1   -8    1   43 o  362.658   11.476  2376.35  146.885  2526.80  208.001  2226.70  207.453  374.354   15.720  350.962   16.724 23.39185 22.95258 
1 1 1   -8    1   45 o  184.158   13.404  613.739   82.905  650.694  142.808  594.953  101.820  187.272   21.575  181.044   15.912 6.228409 26.80850 
1 1 1   -8    2    2 o  1000.85   20.560 17875.37  727.279 17996.02  1028.54 17754.72  1028.52  1004.26   28.977  997.438   29.175 6.820862 41.11967 
1 1 1   -8    2    4 o  1583.44   38.053 46075.32  1996.80 46670.52  2445.56 44884.93  3458.57  1608.08   43.028  1558.81   62.775 49.26868 76.10564 
1 1 1   -8    2    6 o  707.560   20.199  9010.79  473.692  9172.68  580.150  8686.99  820.463  718.341   22.850  696.778   33.315 21.56378 40.39856 
1 1 1   -8    2    8 o  889.276   23.479 14272.09  691.729 14540.85  847.194 13734.59  1198.10  903.784   26.521  874.768   38.751 29.01617 46.95765 
1 1 1   -8    2   10 o  1186.82   33.381 25403.28  1399.18 26519.29  1978.82 24287.46  1978.65  1213.42   46.140  1160.22   48.251 53.20361 66.76109 
1 1 1   -8    2   12 o  791.019   24.642 11153.15  688.916 11074.70  974.323 11231.59  974.227  788.213   34.974  793.825   34.723 -5.612549 49.28307 
1 1 1   -8    2   14 o  250.550   15.866  1113.43  140.376  1059.71  198.551  1167.13  198.491  244.484   22.977  256.615   21.885 -12.13087 31.73164 
1 1 1   -8    2   16 o  1081.16   43.653 20879.31  1668.13   0.0000   0.0000 20879.31  1668.13  ?   ?   1081.16   43.653      ?      ? 
1 1 1   -8    2   18 o  294.762   16.239  1537.73  169.179   0.0000   0.0000  1537.73  169.179  ?   ?   294.762   16.239      ?      ? 
1 1 1   -8    2   20 o  996.469   41.008 17730.56  1444.29   0.0000   0.0000 17730.56  1444.29  ?   ?   996.469   41.008      ?      ? 
1 1 1   -8    2   22 o  1338.10   36.698 31949.52  1735.62   0.0000   0.0000 31949.52  1735.62  ?   ?   1338.10   36.698      ?      ? 
1 1 1   -8    2   24 o  204.604   15.424  741.370  111.538   0.0000   0.0000  741.370  111.538  ?   ?   204.604   15.424      ?      ? 
1 1 1   -8    2   26 o  264.684   22.634  1245.39  211.742   0.0000   0.0000  1245.39  211.742  ?   ?   264.684   22.634      ?      ? 
1 1 1   -8    2   28 o  425.532   25.588  3235.53  384.845   0.0000   0.0000  3235.53  384.845  ?   ?   425.532   25.588      ?      ? 
1 1 1   -8    2   30 o  573.851   29.266  5948.31  593.576   0.0000   0.0000  5948.31  593.576  ?   ?   573.851   29.266      ?      ? 
1 1 1   -8    2   32 o  781.034   35.528 11246.22  980.760   0.0000   0.0000 11246.22  980.760  ?   ?   781.034   35.528      ?      ? 
1 1 1   -8    2   34 o  194.074   21.909  678.984  150.286   0.0000   0.0000  678.984  150.286  ?   ?   194.074   21.909      ?      ? 
1 1 1   -8    2   36 o  510.216   27.988  4773.88  504.720   0.0000   0.0000  4773.88  504.720  ?   ?   510.216   27.988      ?      ? 
1 1 1   -8    2   38 o  357.205   24.539  2327.18  309.814   0.0000   0.0000  2327.18  309.814  ?   ?   357.205   24.539      ?      ? 
1 1 1   -8    2   40 o  105.866   14.645  200.697   54.798   0.0000   0.0000  200.697   54.798  ?   ?   105.866   14.645      ?      ? 
1 1 1   -8    2   42 o  115.670   15.492  240.616   63.337   0.0000   0.0000  240.616   63.337  ?   ?   115.670   15.492      ?      ? 
1 1 1   -8    2   44 o  123.257   15.729  274.720   68.524   0.0000   0.0000  274.720   68.524  ?   ?   123.257   15.729      ?      ? 
1 1 1   -8    2   46 o  265.783   16.078  1290.12  151.035   0.0000   0.0000  1290.12  151.035  ?   ?   265.783   16.078      ?      ? 
1 1 1   -8    3    1 o  308.513   23.271  1692.08  253.753  1692.08  253.753   0.0000   0.0000  308.513   23.271  ?   ?       ?      ? 
1 1 1   -8    3    3 o  736.882   23.636  9715.40  615.584  9757.60  870.450  9673.17  870.684  738.504   33.348  735.260   33.504 3.244263 47.27185 
1 1 1   -8    3    5 o  431.361   18.111  3311.98  276.117  3297.25  390.384  3326.73  390.594  430.395   25.663  432.327   25.562 -1.931641 36.22143 
1 1 1   -8    3    7 o  415.845   25.301  3075.74  371.875   0.0000   0.0000  3075.74  371.875  ?   ?   415.845   25.301      ?      ? 
1 1 1   -8    3    9 o  331.379   23.663  1950.43  277.151   0.0000   0.0000  1950.43  277.151  ?   ?   331.379   23.663      ?      ? 
1 1 1   -8    3   11 o  734.551   33.219  9612.33  862.446   0.0000   0.0000  9612.33  862.446  ?   ?   734.551   33.219      ?      ? 
1 1 1   -8    3   13 o  612.416   21.058  6646.30  455.815   0.0000   0.0000  6646.30  455.815  ?   ?   612.416   21.058      ?      ? 
1 1 1   -8    3   15 o  329.162   16.515  1917.73  192.130   0.0000   0.0000  1917.73  192.130  ?   ?   329.162   16.515      ?      ? 
1 1 1   -8    3   17 o  463.947   26.281  3818.63  430.946   0.0000   0.0000  3818.63  430.946  ?   ?   463.947   26.281      ?      ? 
1 1 1   -8    3   19 f  839.281   36.201 12545.50  1073.85   0.0000   0.0000 12545.50  1073.85  ?   ?   839.281   36.201      ?      ? 
1 1 1   -8    3   21 o  769.834   34.209 10557.45  930.808   0.0000   0.0000 10557.45  930.808  ?   ?   769.834   34.209      ?      ? 
1 1 1   -8    3   23 o  845.630   25.676 12704.82  767.399   0.0000   0.0000 12704.82  767.399  ?   ?   845.630   25.676      ?      ? 
1 1 1   -8    3   25 o  554.986   20.114  5465.65  394.551   0.0000   0.0000  5465.65  394.551  ?   ?   554.986   20.114      ?      ? 
1 1 1   -8    3   27 o  618.920   21.280  6814.09  465.503   0.0000   0.0000  6814.09  465.503  ?   ?   618.920   21.280      ?      ? 
1 1 1   -8    3   29 o  343.252   24.005  2109.00  291.223   0.0000   0.0000  2109.00  291.223  ?   ?   343.252   24.005      ?      ? 
1 1 1   -8    3   31 o  426.268   17.888  3243.33  269.498   0.0000   0.0000  3243.33  269.498  ?   ?   426.268   17.888      ?      ? 
1 1 1   -8    3   33 o  675.971   22.432  8233.01  535.930   0.0000   0.0000  8233.01  535.930  ?   ?   675.971   22.432      ?      ? 
1 1 1   -8    3   35 o  153.856   15.526  422.949   84.430   0.0000   0.0000  422.949   84.430  ?   ?   153.856   15.526      ?      ? 
1 1 1   -8    3   37 o  259.016   16.127  1201.43  147.641   0.0000   0.0000  1201.43  147.641  ?   ?   259.016   16.127      ?      ? 
1 1 1   -8    3   39 o  217.558   15.468  847.855  118.936   0.0000   0.0000  847.855  118.936  ?   ?   217.558   15.468      ?      ? 
1 1 1   -8    3   41 o  319.546   16.453  1837.73  185.820   0.0000   0.0000  1837.73  185.820  ?   ?   319.546   16.453      ?      ? 
1 1 1   -8    3   43 o   29.149   11.845   6.1052   19.103   0.0000   0.0000   6.1052   19.103  ?   ?    29.149   11.845      ?      ? 
1 1 1   -8    3   45 o  135.326   13.230  331.869   60.150  350.672  103.450  322.265   73.931  137.432   21.297  133.221   15.701 4.211731 26.45935 
1 1 1   -8    3   47 o  169.728   14.770  527.275   88.605   0.0000   0.0000  527.275   88.605  ?   ?   169.728   14.770      ?      ? 
1 1 1   -8    4    8 f  391.184   17.320  2711.16  239.473   0.0000   0.0000  2711.16  239.473  ?   ?   391.184   17.320      ?      ? 
1 1 1   -8    4   10 o  357.230   17.065  2259.93  215.465   0.0000   0.0000  2259.93  215.465  ?   ?   357.230   17.065      ?      ? 
1 1 1   -8    4   12 o  1325.52   51.771 31570.52  2425.48   0.0000   0.0000 31570.52  2425.48  ?   ?   1325.52   51.771      ?      ? 
1 1 1   -8    4   14 o  922.924   38.712 15183.18  1262.80   0.0000   0.0000 15183.18  1262.80  ?   ?   922.924   38.712      ?      ? 
1 1 1   -8    4   16 o  522.539   27.631  4845.99  510.314   0.0000   0.0000  4845.99  510.314  ?   ?   522.539   27.631      ?      ? 
1 1 1   -8    4   20 o  244.279   22.289  1058.03  192.439   0.0000   0.0000  1058.03  192.439  ?   ?   244.279   22.289      ?      ? 
1 1 1   -8    4   22 o  1311.40   51.493 31022.81  2386.72   0.0000   0.0000 31022.81  2386.72  ?   ?   1311.40   51.493      ?      ? 
1 1 1   -8    4   26 o  1725.07   67.739 55717.96  4130.16   0.0000   0.0000 55717.96  4130.16  ?   ?   1725.07   67.739      ?      ? 
1 1 1   -8    4   28 o  446.051   26.058  3562.61  410.819   0.0000   0.0000  3562.61  410.819  ?   ?   446.051   26.058      ?      ? 
1 1 1   -8    4   30 o  678.073   22.528  8243.18  539.905   0.0000   0.0000  8243.18  539.905  ?   ?   678.073   22.528      ?      ? 
1 1 1   -8    4   32 o  425.947   25.806  3283.58  388.498   0.0000   0.0000  3283.58  388.498  ?   ?   425.947   25.806      ?      ? 
1 1 1   -8    4   34 o  235.309   22.386  999.884  186.178   0.0000   0.0000  999.884  186.178  ?   ?   235.309   22.386      ?      ? 
1 1 1   -8    4   36 o  331.528   24.004  1997.68  281.272   0.0000   0.0000  1997.68  281.272  ?   ?   331.528   24.004      ?      ? 
1 1 1   -8    4   38 o  407.476   25.613  3038.92  368.876   0.0000   0.0000  3038.92  368.876  ?   ?   407.476   25.613      ?      ? 
1 1 1   -8    4   40 o  167.280   14.616  501.270   86.415   0.0000   0.0000  501.270   86.415  ?   ?   167.280   14.616      ?      ? 
1 1 1   -8    4   42 o  133.201   15.422  323.742   72.440  343.438  106.950  307.048   98.465  136.865   22.109  129.537   21.506 7.328217 30.84367 
1 1 1   -8    4   44 o  235.405   11.287  1005.05   93.778  949.094  132.963  1060.44  132.285  228.699   16.449  242.112   15.459 -13.41315 22.57326 
1 1 1   -8    4   46 o   80.475   17.023  123.140   46.907   0.0000   0.0000  123.140   46.907  ?   ?    80.475   17.023      ?      ? 
1 1 1   -8    5    1 o  128.223   21.162  291.664   95.905  291.664   95.905   0.0000   0.0000  128.223   21.162  ?   ?       ?      ? 
1 1 1   -8    5    3 o  136.053   21.093  328.396  101.430   0.0000   0.0000  328.396  101.430  ?   ?   136.053   21.093      ?      ? 
1 1 1   -8    5   15 o  218.128   21.946  843.106  169.192   0.0000   0.0000  843.106  169.192  ?   ?   218.128   21.946      ?      ? 
1 1 1   -8    5   19 o  159.623   21.377  451.618  120.602   0.0000   0.0000  451.618  120.602  ?   ?   159.623   21.377      ?      ? 
1 1 1   -8    5   21 o  1135.71   45.583 23155.17  1829.76   0.0000   0.0000 23155.17  1829.76  ?   ?   1135.71   45.583      ?      ? 
1 1 1   -8    5   23 o  1032.74   42.369 19165.58  1546.54   0.0000   0.0000 19165.58  1546.54  ?   ?   1032.74   42.369      ?      ? 
1 1 1   -8    5   25 o  291.957   23.047  1515.98  237.820   0.0000   0.0000  1515.98  237.820  ?   ?   291.957   23.047      ?      ? 
1 1 1   -8    5   27 o  907.378   26.338 14725.82  844.667   0.0000   0.0000 14725.82  844.667  ?   ?   907.378   26.338      ?      ? 
1 1 1   -8    5   29 o  679.163   22.226  8256.42  533.526   0.0000   0.0000  8256.42  533.526  ?   ?   679.163   22.226      ?      ? 
1 1 1   -8    5   31 o  406.138   17.787  2946.47  255.333   0.0000   0.0000  2946.47  255.333  ?   ?   406.138   17.787      ?      ? 
1 1 1   -8    5   33 o  734.343   24.312  9997.33  630.997  9947.50  892.799 10047.06  891.930  732.408   34.489  736.278   34.274 -3.870789 48.62322 
1 1 1   -8    5   35 o   95.159   21.931  170.004   72.248   0.0000   0.0000  170.004   72.248  ?   ?    95.159   21.931      ?      ? 
1 1 1   -8    5   37 o  406.969   17.199  3024.58  246.252  3365.83  349.597  2688.53  346.924  430.464   22.978  383.474   25.596 46.99042 34.39711 
1 1 1   -8    5   39 o  242.247   22.610  1069.38  193.589   0.0000   0.0000  1069.38  193.589  ?   ?   242.247   22.610      ?      ? 
1 1 1   -8    5   41 f   84.986   17.113  139.588   55.595   90.814   86.139  174.411   72.785   74.076   26.263   95.896   21.949 -21.82037 34.22689 
1 1 1   -8    5   43 o  120.915   14.952  265.138   61.558  349.969   95.521  204.882   80.504  138.365   19.532  103.465   22.643 34.89934 29.90340 
1 1 1   -8    5   45 o   98.516   22.412  188.396   76.281   0.0000   0.0000  188.396   76.281  ?   ?    98.516   22.412      ?      ? 
1 1 1   -8    5   47 o  139.563   15.080  358.432   74.384   0.0000   0.0000  358.432   74.384  ?   ?   139.563   15.080      ?      ? 
1 1 1   -8    6    2 o  341.004   16.802  2063.98  202.401  2141.85  286.357  1986.23  286.120  347.460   23.318  334.548   24.197 12.91104 33.60391 
1 1 1   -8    6    4 o  1055.48   42.946 19945.00  1602.12 19945.00  1602.12   0.0000   0.0000  1055.48   42.946  ?   ?       ?      ? 
1 1 1   -8    6    6 o  990.408   40.867 17532.67  1430.55 17532.67  1430.55   0.0000   0.0000  990.408   40.867  ?   ?       ?      ? 
1 1 1   -8    6    8 o  628.896   30.324  7030.54  674.040  7030.54  674.040   0.0000   0.0000  628.896   30.324  ?   ?       ?      ? 
1 1 1   -8    6   24 o  683.774   21.734  8306.87  525.252   0.0000   0.0000  8306.87  525.252  ?   ?   683.774   21.734      ?      ? 
1 1 1   -8    6   26 f   95.227   11.027  160.567   37.114   0.0000   0.0000  160.567   37.114  ?   ?    95.227   11.027      ?      ? 
1 1 1   -8    6   28 o  649.144   21.390  7528.87  490.754   0.0000   0.0000  7528.87  490.754  ?   ?   649.144   21.390      ?      ? 
1 1 1   -8    6   30 o  681.674   22.678  8348.96  546.391   0.0000   0.0000  8348.96  546.391  ?   ?   681.674   22.678      ?      ? 
1 1 1   -8    6   32 o  466.498   16.568  3958.41  256.027  3843.08  444.018  4015.85  313.367  459.577   27.335  473.420   18.728 -13.84290 33.13524 
1 1 1   -8    6   34 o  435.761   18.104  3406.52  278.834   0.0000   0.0000  3406.52  278.834  ?   ?   435.761   18.104      ?      ? 
1 1 1   -8    6   36 o   82.421   16.159  127.244   48.345  122.435   75.092  130.649   63.181   81.405   24.270   83.438   21.340 -2.032654 32.31713 
1 1 1   -8    6   38 o  134.435   13.386  322.357   57.207  537.953   89.245  171.980   74.534  173.428   14.560   95.443   22.468 77.98489 26.77273 
1 1 1   -8    6   40 o  145.706   21.532  386.963  110.888   0.0000   0.0000  386.963  110.888  ?   ?   145.706   21.532      ?      ? 
1 1 1   -8    6   42 o  205.913   22.279  780.393  162.141   0.0000   0.0000  780.393  162.141  ?   ?   205.913   22.279      ?      ? 
1 1 1   -8    6   44 o   57.752   18.586   60.058   43.092   0.0000   0.0000   60.058   43.092  ?   ?    57.752   18.586      ?      ? 
1 1 1   -8    6   46 f  236.809   23.197  1074.95  194.157   0.0000   0.0000  1074.95  194.157  ?   ?   236.809   23.197      ?      ? 
1 1 1   -8    7    1 o  156.941   15.038  436.723   83.329  460.597  118.054  413.017  117.638  161.229   20.717  152.652   21.803 8.576019 30.07602 
1 1 1   -8    7    3 o  482.060   18.838  4125.30  320.896  4220.52  453.971  4030.20  453.659  487.644   26.339  476.475   26.938 11.16870 37.67530 
1 1 1   -8    7    5 o  359.266   17.140  2290.39  217.479  2187.11  307.611  2393.61  307.513  351.134   24.786  367.397   23.681 -16.26328 34.28057 
1 1 1   -8    7    7 o  829.331   35.914 12247.61  1052.72   0.0000   0.0000 12247.61  1052.72  ?   ?   829.331   35.914      ?      ? 
1 1 1   -8    7    9 o  205.884   15.295  752.200  111.026  814.523  157.259  690.262  156.772  214.421   20.750  197.346   22.476 17.07463 30.59004 
1 1 1   -8    7   11 o  348.771   23.982  2156.60  295.634  2156.60  295.634   0.0000   0.0000  348.771   23.982  ?   ?       ?      ? 
1 1 1   -8    7   13 o  705.469   32.376  8847.09  807.284  8847.09  807.284   0.0000   0.0000  705.469   32.376  ?   ?       ?      ? 
1 1 1   -8    7   21 o  558.163   28.544  5545.73  563.107   0.0000   0.0000  5545.73  563.107  ?   ?   558.163   28.544      ?      ? 
1 1 1   -8    7   25 o  967.493   40.637 16963.02  1389.59   0.0000   0.0000 16963.02  1389.59  ?   ?   967.493   40.637      ?      ? 
1 1 1   -8    7   27 o  632.404   30.765  7220.00  687.652   0.0000   0.0000  7220.00  687.652  ?   ?   632.404   30.765      ?      ? 
1 1 1   -8    7   29 o  419.605   18.042  3143.08  267.579   0.0000   0.0000  3143.08  267.579  ?   ?   419.605   18.042      ?      ? 
1 1 1   -8    7   31 o  211.688   15.723  799.388  117.641   0.0000   0.0000  799.388  117.641  ?   ?   211.688   15.723      ?      ? 
1 1 1   -8    7   33 o  429.291   16.570  3413.85  233.141  3119.48  405.290  3559.44  285.020  413.055   27.761  445.527   18.100 -32.47220 33.14054 
1 1 1   -8    7   35 o  233.794   14.276  992.304  109.775  967.235  193.189  1004.26  133.404  230.713   23.691  236.876   15.934 -6.162582 28.55134 
1 1 1   -8    7   37 o  571.479   29.769  6053.26  601.284   0.0000   0.0000  6053.26  601.284  ?   ?   571.479   29.769      ?      ? 
1 1 1   -8    7   39 o  131.010   14.141  303.229   61.027  466.999   96.215  192.997   78.937  161.073   16.901  100.947   22.678 60.12643 28.28269 
1 1 1   -8    7   41 f  161.029   21.710  475.070  123.561   0.0000   0.0000  475.070  123.561  ?   ?   161.029   21.710      ?      ? 
1 1 1   -8    7   43 o  224.344   23.689  939.428  187.835  939.428  187.835   0.0000   0.0000  224.344   23.689  ?   ?       ?      ? 
1 1 1   -8    8    2 o  714.133   23.065  9067.92  582.185  9063.65  823.444  9072.18  823.225  713.964   32.632  714.302   32.607 -0.3389893 46.13093 
1 1 1   -8    8    4 o  946.047   27.797 15959.96  929.225 16366.82  1314.28 15553.30  1313.97  958.211   38.807  933.884   39.808 24.32739 55.59351 
1 1 1   -8    8    6 o  410.552   17.840  2989.84  258.817  2924.27  366.143  3055.33  365.902  406.035   25.513  415.068   24.942 -9.033417 35.67934 
1 1 1   -8    8    8 o  1448.05   39.383 37705.27  2015.19 38617.39  2850.06 36793.35  2849.76  1465.86   55.010  1430.23   56.375 35.63672 78.76659 
1 1 1   -8    8   10 o  624.835   21.210  6939.21  467.886  7316.69  661.883  6562.15  661.499  641.917   29.173  607.752   30.795 34.16455 42.41946 
1 1 1   -8    8   12 o  352.222   17.007  2199.66  211.726  2195.51  299.624  2203.80  299.229  351.888   24.091  352.556   24.014 -0.6672363 34.01495 
1 1 1   -8    8   14 o  785.416   34.651 10980.78  961.915 10980.78  961.915   0.0000   0.0000  785.416   34.651  ?   ?       ?      ? 
1 1 1   -8    8   16 o  1179.82   46.965 24964.12  1958.43 24964.12  1958.43   0.0000   0.0000  1179.82   46.965  ?   ?       ?      ? 
1 1 1   -8    8   18 o  695.002   22.439  8603.88  550.997  8871.00  779.674  8337.36  778.782  705.861   31.252  684.143   32.207 21.71808 44.87712 
1 1 1   -8    8   20 o  1298.95   35.182 30518.07  1612.53 32519.43  2280.93 28518.31  2280.01  1342.52   48.070  1255.38   51.386 87.13892 70.36463 
1 1 1   -8    8   22 o  445.473   25.935  3533.04  408.345   0.0000   0.0000  3533.04  408.345  ?   ?   445.473   25.935      ?      ? 
1 1 1   -8    8   24 o  913.153   38.879 15073.28  1254.80   0.0000   0.0000 15073.28  1254.80  ?   ?   913.153   38.879      ?      ? 
1 1 1   -8    8   26 o  807.950   35.893 11865.20  1024.97   0.0000   0.0000 11865.20  1024.97  ?   ?   807.950   35.893      ?      ? 
1 1 1   -8    8   28 o  176.385   21.584  557.572  134.563   0.0000   0.0000  557.572  134.563  ?   ?   176.385   21.584      ?      ? 
1 1 1   -8    8   30 o  150.423   21.382  406.655  113.681   0.0000   0.0000  406.655  113.681  ?   ?   150.423   21.382      ?      ? 
1 1 1   -8    8   32 o  327.677   16.430  1920.00  190.281   0.0000   0.0000  1920.00  190.281  ?   ?   327.677   16.430      ?      ? 
1 1 1   -8    8   34 o  351.442   14.803  2231.77  172.433  2224.17  300.797  2235.49  210.443  349.688   24.337  353.196   16.858 -3.508606 29.60553 
1 1 1   -8    8   36 o  323.040   17.075  1902.42  194.926  1892.40  277.463  1912.19  273.905  322.108   24.372  323.972   23.921 -1.864502 34.14924 
1 1 1   -8    8   38 o  664.697   23.354  8343.86  548.610  8236.16  776.860  8451.00  774.847  660.066   33.299  669.329   32.753 -9.263184 46.70792 
1 1 1   -8    8   40 o  273.609   23.768  1378.30  229.854  1378.30  229.854   0.0000   0.0000  273.609   23.768  ?   ?       ?      ? 
1 1 1   -8    8   44 o  199.031   22.446  744.701  157.899   0.0000   0.0000  744.701  157.899  ?   ?   199.031   22.446      ?      ? 
1 1 1   -8    8   46 o   69.491   20.461   94.269   53.638   0.0000   0.0000   94.269   53.638  ?   ?    69.491   20.461      ?      ? 
1 1 1   -8    9    1 o  212.919   15.480  818.671  113.003  1049.81  160.170  589.599  159.452  243.495   18.611  182.344   24.741 61.15120 30.95958 
1 1 1   -8    9    3 o  902.521   26.920 14511.71  858.707 14610.21  1214.54 14413.25  1214.25  905.607   37.945  899.435   38.196 6.172729 53.83997 
1 1 1   -8    9    5 o  333.753   16.920  1977.91  199.142  1824.95  281.740  2130.63  281.518  320.796   24.848  346.710   22.973 -25.91415 33.84090 
1 1 1   -8    9    7 o  1063.97   30.374 20217.23  1141.86 20814.14  1615.01 19620.59  1614.65  1079.84   42.315  1048.10   43.587 31.73621 60.74841 
1 1 1   -8    9    9 o  460.886   18.554  3768.65  302.223  3805.24  427.488  3732.08  427.327  463.132   26.116  458.641   26.361 4.490631 37.10715 
1 1 1   -8    9   11 o  447.035   18.181  3550.15  286.655  3819.57  405.651  3281.41  405.132  464.064   24.732  430.006   26.656 34.05817 36.36240 
1 1 1   -8    9   13 f  1245.04   29.922 27577.37  1243.44 28097.31  2154.09 27317.54  1522.75  1251.54   48.697  1238.55   34.785 12.98291 59.84472 
1 1 1   -8    9   15 o  1731.09   66.179 54571.15  4049.11   0.0000   0.0000 54571.15  4049.11  ?   ?   1731.09   66.179      ?      ? 
1 1 1   -8    9   17 o  359.038   15.110  2295.39  180.213  2259.42  312.681  2313.29  220.524  356.699   24.802  361.376   17.265 -4.676697 30.21939 
1 1 1   -8    9   19 o  306.324   14.094  1656.62  143.897  1688.07  250.167  1641.07  175.912  308.299   22.958  304.348   16.353 3.950562 28.18699 
1 1 1   -8    9   21 o  789.139   19.230 10720.37  512.671 12368.52  888.619  9898.10  627.662  832.284   30.208  745.994   23.805 86.28918 38.46057 
1 1 1   -8    9   23 o  940.053   39.782 15997.53  1321.77 15997.53  1321.77   0.0000   0.0000  940.053   39.782  ?   ?       ?      ? 
1 1 1   -8    9   25 o  327.762   17.080  1923.94  197.749  1855.58  280.455  1991.53  278.869  321.883   24.652  333.642   23.648 -11.75906 34.16056 
1 1 1   -8    9   27 o  396.043   25.097  2824.17  351.300   0.0000   0.0000  2824.17  351.300  ?   ?   396.043   25.097      ?      ? 
1 1 1   -8    9   29 o  450.870   26.376  3683.85  420.327   0.0000   0.0000  3683.85  420.327  ?   ?   450.870   26.376      ?      ? 
1 1 1   -8    9   31 o  375.270   24.805  2554.96  329.001   0.0000   0.0000  2554.96  329.001  ?   ?   375.270   24.805      ?      ? 
1 1 1   -8    9   35 o   97.697   22.611  179.899   76.530   0.0000   0.0000  179.899   76.530  ?   ?    97.697   22.611      ?      ? 
1 1 1   -8    9   37 o  344.285   24.425  2171.49  297.211   0.0000   0.0000  2171.49  297.211  ?   ?   344.285   24.425      ?      ? 
1 1 1   -8    9   39 o   52.448   15.104   50.521   29.519   0.0000   0.0000   50.521   29.519  ?   ?    52.448   15.104      ?      ? 
1 1 1   -8    9   41 o  239.696   15.572  1060.17  131.457  1169.89  187.237  953.508  184.609  252.394   20.989  226.998   23.010 25.39624 31.14456 
1 1 1   -8    9   43 o  247.796   23.092  1153.03  202.246   0.0000   0.0000  1153.03  202.246  ?   ?   247.796   23.092      ?      ? 
1 1 1   -8    9   45 o  243.315   23.406  1144.36  201.287   0.0000   0.0000  1144.36  201.287  ?   ?   243.315   23.406      ?      ? 
1 1 1   -8    9   47 o   58.051   18.857   64.283   44.285   0.0000   0.0000   64.283   44.285  ?   ?    58.051   18.857      ?      ? 
1 1 1   -8   10    2 o  692.000   22.640  8515.07  553.494  8223.62  782.730  8806.56  782.786  680.083   32.563  703.917   31.463 -23.83362 45.28027 
1 1 1   -8   10    4 o  951.120   27.794 16157.80  931.768 17531.86  1317.91 14784.54  1317.53  991.982   37.589  910.259   40.952 81.72241 55.58780 
1 1 1   -8   10    6 o  690.609   22.518  8482.78  549.215  8870.80  776.884  8095.11  776.530  706.497   31.112  674.720   32.562 31.77686 45.03605 
1 1 1   -8   10    8 o  349.489   13.364  2123.54  156.823  2288.49  272.026  2041.43  191.927  359.362   21.417  339.617   15.989 19.74509 26.72716 
1 1 1   -8   10   10 o  1147.84   32.042 25097.20  1176.91 19696.38  2038.63 27796.95  1441.36  1045.72   55.157  1249.97   32.625 -204.2458 64.08369 
1 1 1   -8   10   12 o  881.349   22.890 14028.27  666.609 13237.52  1154.94 14423.30  816.307  861.288   37.939  901.410   25.622 -40.12207 45.78074 
1 1 1   -8   10   14 f  859.116   24.664 13102.47  748.930   0.0000   0.0000 13102.47  748.930  ?   ?   859.116   24.664      ?      ? 
1 1 1   -8   10   16 o  482.503   15.629  4119.40  251.388  4165.01  436.059  4096.69  307.661  484.181   25.481  480.826   18.104 3.355072 31.25738 
1 1 1   -8   10   18 o  523.595   16.778  4871.62  292.446  4871.13  507.233  4871.86  357.924  523.093   27.435  524.097   19.322 -1.004395 33.55657 
1 1 1   -8   10   20 o  671.164   16.786  7741.98  380.508  8929.95  659.954  7150.40  465.709  707.885   26.377  634.442   20.768 73.44263 33.57214 
1 1 1   -8   10   22 o  352.046   15.749  2297.66  180.224  1965.40  312.597  2463.09  220.574  331.599   26.672  372.493   16.754 -40.89453 31.49720 
1 1 1   -8   10   24 o  423.026   18.072  3212.86  269.693  3439.59  381.599  2986.59  381.207  438.171   24.640  407.880   26.443 30.29120 36.14364 
1 1 1   -8   10   26 o  730.215   19.561  9365.72  481.498 10554.47  834.551  8772.56  589.510  761.851   30.993  698.579   23.876 63.27222 39.12299 
1 1 1   -8   10   28 o  610.776   30.502  6816.37  658.468   0.0000   0.0000  6816.37  658.468  ?   ?   610.776   30.502      ?      ? 
1 1 1   -8   10   30 o  172.674   21.921  537.797  133.785  537.797  133.785   0.0000   0.0000  172.674   21.921  ?   ?       ?      ? 
1 1 1   -8   10   34 o  156.346   21.518  442.538  118.908   0.0000   0.0000  442.538  118.908  ?   ?   156.346   21.518      ?      ? 
1 1 1   -8   10   36 o  325.665   16.614  1905.48  191.238   0.0000   0.0000  1905.48  191.238  ?   ?   325.665   16.614      ?      ? 
1 1 1   -8   10   38 o  161.408   14.226  466.892   81.155   0.0000   0.0000  466.892   81.155  ?   ?   161.408   14.226      ?      ? 
1 1 1   -8   10   40 o  245.238   13.184  1064.74  108.822  1192.39  188.931  1001.37  133.122  255.000   20.962  235.476   15.995 19.52489 26.36785 
1 1 1   -8   10   42 o  160.254   21.907  477.991  124.081   0.0000   0.0000  477.991  124.081  ?   ?   160.254   21.907      ?      ? 
1 1 1   -8   10   46 o   60.735   19.289   70.934   46.533   0.0000   0.0000   70.934   46.533  ?   ?    60.735   19.289      ?      ? 
1 1 1   -8   11    1 o  632.093   19.621  7095.79  413.107  7094.67  715.736  7096.36  505.875  631.536   32.065  632.649   22.624 -1.113586 39.24290 
1 1 1   -8   11    3 o  329.660   13.510  1874.02  150.016  2090.66  260.266  1766.24  183.581  343.450   21.440  315.869   16.444 27.58026 27.02014 
1 1 1   -8   11    5 o  509.854   19.880  4937.41  323.572  3808.53  560.568  5501.47  396.250  462.484   34.293  557.224   20.120 -94.73944 39.75974 
1 1 1   -8   11    7 o  381.630   17.592  2763.84  214.341  2131.60  371.359  3079.68  262.474  346.246   30.345  417.014   17.808 -70.76883 35.18456 
1 1 1   -8   11    9 o  843.522   23.212 12754.59  649.747 12410.65  1125.69 12926.42  795.668  833.835   38.196  853.208   26.385 -19.37268 46.42319 
1 1 1   -8   11   11 o  215.342   14.098  848.109   99.262  750.202  172.273  896.768  121.449  205.612   23.706  225.073   15.267 -19.46100 28.19632 
1 1 1   -8   11   13 o  298.391   17.199  1577.20  181.384   0.0000   0.0000  1577.20  181.384  ?   ?   298.391   17.199      ?      ? 
1 1 1   -8   11   15 o  716.784   22.520  9707.60  518.526  7755.76  898.305 10682.90  634.994  657.978   38.627  775.589   23.164 -117.6112 45.04037 
1 1 1   -8   11   17 o  527.189   19.002  5068.19  329.086  4611.59  570.469  5295.92  402.879  508.183   31.761  546.194   20.869 -38.01117 38.00363 
1 1 1   -8   11   19 o  391.553   15.759  2759.63  204.060  2632.43  354.047  2822.90  249.708  384.251   26.069  398.855   17.713 -14.60361 31.51752 
1 1 1   -8   11   21 o  937.143   29.880 16069.49  982.628 13926.89  1390.04 18209.68  1389.25  872.484   45.076  1001.80   39.236 -129.3168 59.76042 
1 1 1   -8   11   23 o  481.034   19.113  4161.77  324.813  4018.93  459.436  4304.50  459.274  472.634   27.503  489.434   26.550 -16.79968 38.22689 
1 1 1   -8   11   25 o  648.426   22.181  7658.04  508.173  7891.79  718.856  7424.54  718.475  658.615   30.881  638.237   31.850 20.37726 44.36274 
1 1 1   -8   11   27 o   57.159   13.361   55.098   31.879   40.232   45.651   69.249   44.538   52.342   19.048   61.975   18.740 -9.633259 26.72117 
1 1 1   -8   11   29 o  231.421   15.057  998.261  113.559  872.908  196.976  1060.66  138.979  219.217   25.422  243.624   16.140 -24.40678 30.11329 
1 1 1   -8   11   31 o  508.039   17.947  4977.06  292.077  3976.36  505.951  5477.24  357.699  463.814   30.863  552.264   18.325 -88.44980 35.89382 
1 1 1   -8   11   33 o  141.587   17.967  380.877   85.923  269.888  122.277  489.136  120.765  118.664   29.324  164.511   20.769 -45.84714 35.93411 
1 1 1   -8   11   35 o  202.387   22.057  744.755  157.779   0.0000   0.0000  744.755  157.779  ?   ?   202.387   22.057      ?      ? 
1 1 1   -8   11   37 o   70.972   20.308   93.823   53.519   0.0000   0.0000   93.823   53.519  ?   ?    70.972   20.308      ?      ? 
1 1 1   -8   11   39 o  375.415   16.922  2550.18  224.532   0.0000   0.0000  2550.18  224.532  ?   ?   375.415   16.922      ?      ? 
1 1 1   -8   11   41 o  159.183   14.041  488.407   72.210  405.738  124.600  530.213   88.607  147.094   23.966  171.272   14.637 -24.17705 28.08273 
1 1 1   -8   11   43 o   54.981   18.085   54.368   40.688   0.0000   0.0000   54.368   40.688  ?   ?    54.981   18.085      ?      ? 
1 1 1   -8   11   45 o   34.936   13.286   16.463   22.681   0.0000   0.0000   16.463   22.681  ?   ?    34.936   13.286      ?      ? 
1 1 1   -8   12    2 o  1018.27   27.328 18657.91  923.063 18114.43  1598.90 18929.60  1130.48  1005.13   45.007  1031.40   31.011 -26.26740 54.65609 
1 1 1   -8   12    4 o  611.031   15.978  6407.83  329.745  7340.23  571.338  5942.13  403.781  643.013   25.139  579.050   19.729 63.96368 31.95663 
1 1 1   -8   12    6 o  506.012   17.148  4480.73  290.958  4745.52  504.134  4348.48  356.286  516.738   27.603  495.286   20.353 21.45203 34.29512 
1 1 1   -8   12    8 o  742.347   21.367  9900.14  525.688  9537.01  910.689 10081.60  643.772  731.101   35.243  753.593   24.170 -22.49286 42.73470 
1 1 1   -8   12   10 o  441.143   14.457  3319.20  215.747  3899.70  373.977  3029.63  264.132  468.786   22.571  413.500   18.073 55.28650 28.91493 
1 1 1   -8   12   12 o  221.932   19.552  1008.91  127.003  620.866  220.346  1201.96  155.416  183.404   35.273  260.459   16.882 -77.05519 39.10491 
1 1 1   -8   12   14 o  521.642   19.609  4845.61  361.529  4831.74  511.804  4859.42  510.754  520.887   27.800  522.396   27.663 -1.509521 39.21785 
1 1 1   -8   12   16 o  245.783   14.659  1147.93  114.828  885.468  199.514  1277.93  140.415  223.001   25.313  268.565   14.793 -45.56361 29.31857 
1 1 1   -8   12   18 o  1192.57   34.092 25991.30  1436.88 26399.03  2032.02 25583.55  2032.08  1202.25   47.821  1182.90   48.604 19.34778 68.18472 
1 1 1   -8   12   20 o  273.699   16.241  1338.49  156.901  1259.28  221.827  1417.79  221.955  265.507   23.638  281.891   22.277 -16.38474 32.48166 
1 1 1   -8   12   22 o  561.854   20.477  5701.40  406.373  5463.51  574.599  5939.46  574.799  549.872   29.565  573.835   28.341 -23.96320 40.95481 
1 1 1   -8   12   24 o  387.220   17.669  2703.12  241.791  2650.04  341.766  2756.31  342.123  383.342   25.224  391.099   24.750 -7.757324 35.33888 
1 1 1   -8   12   26 o  191.484   17.021  655.055  115.193   0.0000   0.0000  655.055  115.193  ?   ?   191.484   17.021      ?      ? 
1 1 1   -8   12   28 f  187.822   13.383  639.023   83.169  615.963  144.397  650.470  101.739  184.736   22.115  190.909   15.078 -6.173599 26.76596 
1 1 1   -8   12   30 o  183.737   13.713  607.781   83.733  606.494  145.422  608.420  102.414  183.026   22.480  184.448   15.710 -1.421982 27.42518 
1 1 1   -8   12   32 o  230.896   13.631  973.584  104.149  922.008  179.815  999.620  127.761  225.410   22.570  236.382   15.292 -10.97208 27.26265 
1 1 1   -8   12   34 f  145.090   14.423  401.157   66.078  343.854  113.895  430.230   81.127  135.152   24.755  155.029   14.806 -19.87631 28.84506 
1 1 1   -8   12   36 o  122.792   15.928  280.403   67.588  260.946   95.955  299.561   95.217  117.299   23.955  128.286   21.000 -10.98708 31.85633 
1 1 1   -8   12   38 o  234.263   22.633  1010.69  187.399   0.0000   0.0000  1010.69  187.399  ?   ?   234.263   22.633      ?      ? 
1 1 1   -8   12   40 o  206.753   15.041  773.138  109.912   0.0000   0.0000  773.138  109.912  ?   ?   206.753   15.041      ?      ? 
1 1 1   -8   12   42 o   94.692   22.355  175.756   73.620   0.0000   0.0000  175.756   73.620  ?   ?    94.692   22.355      ?      ? 
1 1 1   -8   12   44 o   79.849   21.648  127.875   62.631   0.0000   0.0000  127.875   62.631  ?   ?    79.849   21.648      ?      ? 
1 1 1   -8   13    1 o  1158.29   26.973 23323.75  1053.63 26250.17  1825.05 21860.79  1290.39  1209.46   42.694  1107.12   32.977 102.3394 53.94623 
1 1 1   -8   13    3 o  266.684   14.200  1276.28  125.433  1216.86  217.030  1306.09  153.703  261.803   23.454  271.565   16.014 -9.761932 28.39973 
1 1 1   -8   13    5 o  395.439   16.056  2749.63  212.513  2856.07  367.976  2696.36  260.311  400.860   25.972  390.018   18.884 10.84244 32.11146 
1 1 1   -8   13    7 o  194.301   14.220  677.843   91.504  645.596  158.325  694.016  112.127  190.660   23.495  197.942   16.027 -7.282471 28.44066 
1 1 1   -8   13    9 o  447.803   15.292  3491.30  230.149  3777.94  398.722  3348.09  281.841  461.042   24.469  434.564   18.350 26.47742 30.58474 
1 1 1   -8   13   11 o  651.676   19.345  7631.08  417.854  7357.83  723.804  7767.68  511.744  641.967   31.900  661.384   21.892 -19.41687 38.68903 
1 1 1   -8   13   13 o  351.501   24.120  2198.16  299.652  2198.16  299.652   0.0000   0.0000  351.501   24.120  ?   ?       ?      ? 
1 1 1   -8   13   15 o  185.692   15.612  613.411  102.453  610.779  143.860  616.119  145.942  185.294   21.966  186.090   22.189 -0.7956390 31.22303 
1 1 1   -8   13   17 o  506.924   19.075  4607.30  340.571  4163.49  481.071  5053.21  482.211  482.103   28.232  531.746   25.657 -49.64285 38.14938 
1 1 1   -8   13   19 o  123.933   17.541  303.611   70.269  216.330  121.163  347.847   86.257  108.042   30.432  139.824   17.454 -31.78209 35.08173 
1 1 1   -8   13   21 o  432.503   16.740  3448.63  237.364  3102.51  411.061  3621.77  290.734  414.416   28.064  450.590   18.255 -36.17429 33.47914 
1 1 1   -8   13   23 o  326.797   17.775  1944.91  202.353  1575.22  286.347  2313.68  285.994  294.827   27.479  358.768   22.554 -63.94125 35.54992 
1 1 1   -8   13   25 o  330.994   16.812  1979.31  196.576  1899.40  277.313  2060.02  278.694  324.147   24.205  337.841   23.340 -13.69345 33.62486 
1 1 1   -8   13   27 o  222.091   14.937  930.082  107.441  777.425  185.782  1006.79  131.699  206.793   25.418  237.389   15.696 -30.59607 29.87434 
1 1 1   -8   13   29 o  308.377   14.763  1756.03  149.601  1602.75  258.870  1832.89  183.311  296.758   24.681  319.997   16.208 -23.23898 29.52681 
1 1 1   -8   13   31 o  142.430   15.099  367.121   75.998  375.207  108.020  359.194  106.944  144.003   21.223  140.857   21.481 3.146469 30.19713 
1 1 1   -8   13   33 o   57.035   13.197   57.522   31.707   26.416   53.071   74.790   39.540   50.622   20.021   63.448   17.200 -12.82569 26.39487 
1 1 1   -8   13   35 o  143.110   14.171  399.694   63.189  313.844  108.035  444.336   77.905  128.700   24.648  157.519   13.993 -28.81918 28.34269 
1 1 1   -8   13   37 o  152.864   15.536  430.950   83.360  375.109  117.918  486.735  117.860  142.532   23.407  163.196   20.433 -20.66350 31.07103 
1 1 1   -8   13   39 o  175.866   15.629  576.200   96.425  498.810  136.337  653.657  136.395  163.413   23.605  188.320   20.492 -24.90782 31.25886 
1 1 1   -8   13   41 o   76.422   21.075  113.091   58.768   0.0000   0.0000  113.091   58.768  ?   ?    76.422   21.075      ?      ? 
1 1 1   -8   13   43 o  195.205   22.861  744.038  157.726   0.0000   0.0000  744.038  157.726  ?   ?   195.205   22.861      ?      ? 
1 1 1   -8   14    2 o  263.878   11.523  1196.19  102.673  1359.43  177.760  1114.46  125.775  276.888   18.164  250.867   14.185 26.02170 23.04656 
1 1 1   -8   14    4 o  443.399   15.008  3404.75  224.171  3769.73  388.205  3222.16  274.577  460.522   23.850  426.277   18.224 34.24490 30.01592 
1 1 1   -8   14    6 o  305.589   15.232  1696.23  153.225  1551.25  265.093  1768.97  187.769  295.267   25.402  315.911   16.817 -20.64417 30.46381 
1 1 1   -8   14    8 o  303.911   16.814  1644.68  180.338  1740.10  254.214  1548.02  255.867  312.859   22.990  294.963   24.543 17.89532 33.62846 
1 1 1   -8   14   10 o  337.901   16.513  2036.55  196.342  1813.17  277.052  2261.94  278.290  319.117   24.564  356.684   22.075 -37.56650 33.02512 
1 1 1   -8   14   14 o  555.877   19.585  5554.92  381.988  4786.15  539.512  6327.69  540.916  516.655   29.545  595.098   25.717 -78.44348 39.16961 
1 1 1   -8   14   16 f   61.115   12.002   71.133   27.006   47.176   45.718   83.973   33.470   54.722   19.157   67.509   14.463 -12.78654 24.00323 
1 1 1   -8   14   18 o  149.195   11.592  392.893   57.939  406.072   99.997  386.233   71.087  150.905   18.748  147.484   13.637 3.421204 23.18349 
1 1 1   -8   14   20 o  303.512   14.515  1784.61  139.337  1311.05  240.656  2023.42  170.895  269.722   25.244  337.302   14.335 -67.57965 29.03019 
1 1 1   -8   14   22 o  352.438   15.876  2295.93  183.440  2060.99  317.374  2413.80  224.793  337.259   26.625  367.618   17.301 -30.35864 31.75220 
1 1 1   -8   14   24 o  516.637   16.925  4938.04  287.277  4508.82  497.197  5153.15  351.977  497.042   28.302  536.232   18.571 -39.18930 33.85098 
1 1 1   -8   14   26 o   86.134   12.193  133.824   37.982   45.265   51.019  243.932   56.889   55.286   20.135  116.982   13.759 -61.69669 24.38667 
1 1 1   -8   14   28 f  294.266   14.847  1605.27  143.369  1445.21  247.665  1685.94  175.824  281.663   24.878  306.869   16.211 -25.20627 29.69348 
1 1 1   -8   14   30 o   86.077   13.395  147.005   39.341   95.868   65.310  176.125   49.285   72.846   22.816   99.309   14.041 -26.46299 26.79032 
1 1 1   -8   14   32 o  129.902   13.329  327.145   54.392  257.261   91.933  364.783   67.467  116.902   23.069  142.901   13.358 -25.99898 26.65728 
1 1 1   -8   14   34 o  126.073   13.687  302.020   55.271  262.617   93.425  323.238   68.555  117.862   23.253  134.284   14.444 -16.42243 27.37392 
1 1 1   -8   14   36 o  241.513   13.603  1122.60  105.857  896.363  181.507  1239.22  130.314  220.342   23.306  262.685   14.036 -42.34306 27.20653 
1 1 1   -8   14   38 o  202.488   13.329  792.943   86.967  634.371  149.014  874.851  107.097  184.602   22.839  220.375   13.750 -35.77251 26.65825 
1 1 1   -8   14   40 o  113.064   14.783  232.681   59.074   0.0000   0.0000  232.681   59.074  ?   ?   113.064   14.783      ?      ? 
1 1 1   -8   14   42 o  130.712   23.380  341.340  104.050   0.0000   0.0000  341.340  104.050  ?   ?   130.712   23.380      ?      ? 
1 1 1   -8   15    1 o  135.596   21.140  326.922  101.314   0.0000   0.0000  326.922  101.314  ?   ?   135.596   21.140      ?      ? 
1 1 1   -8   15    5 o  803.949   35.504 11622.15  1008.86   0.0000   0.0000 11622.15  1008.86  ?   ?   803.949   35.504      ?      ? 
1 1 1   -8   15    7 f  630.557   21.513  7121.85  479.396  7002.00  677.436  7242.07  678.502  625.177   30.658  635.936   30.187 -10.75830 43.02514 
1 1 1   -8   15    9 o  407.991   15.795  2997.27  213.508  2870.85  369.484  3060.64  261.607  400.875   26.078  415.106   17.831 -14.23041 31.59074 
1 1 1   -8   15   11 o  634.097   20.774  7161.08  465.572   0.0000   0.0000  7161.08  465.572  ?   ?   634.097   20.774      ?      ? 
1 1 1   -8   15   13 o  688.990   19.471  8482.51  447.807  8653.21  775.453  8397.10  548.509  692.391   31.687  685.589   22.636 6.801819 38.94183 
1 1 1   -8   15   15 o  236.707   14.462  1039.66  111.640  892.955  192.648  1113.83  136.986  223.117   24.429  250.298   15.484 -27.18172 28.92347 
1 1 1   -8   15   17 f  391.303   15.113  2810.41  194.332  2549.61  336.086  2941.40  238.187  376.286   25.270  406.320   16.586 -30.03320 30.22699 
1 1 1   -8   15   19 o  457.756   19.031  3798.13  307.338  3542.16  434.801  4053.73  434.482  441.942   27.836  473.569   25.958 -31.62729 38.06105 
1 1 1   -8   15   21 o   83.185   13.063  122.003   36.256  156.482   61.343  103.492   44.947   91.743   19.518   74.627   17.367 17.11623 26.12538 
1 1 1   -8   15   23 o  292.980   15.032  1630.38  141.967  1321.60  245.071  1786.33  174.167  269.670   25.712  316.290   15.580 -46.62024 30.06397 
1 1 1   -8   15   25 o  242.393   14.578  1117.15  113.920  903.447  196.444  1225.43  139.833  222.860   24.939  261.925   15.105 -39.06500 29.15693 
1 1 1   -8   15   27 o  549.220   17.202  5486.83  314.575  5502.79  544.278  5478.82  385.480  547.101   28.147  551.339   19.782 -4.238403 34.40308 
1 1 1   -8   15   29 o  162.295   11.992  488.694   64.875  419.860  107.227  528.440   81.481  152.505   19.893  172.085   13.397 -19.58041 23.98330 
1 1 1   -8   15   31 o  103.333   14.086  209.273   47.924  153.946   77.762  243.156   60.854   90.150   23.985  116.516   14.777 -26.36573 28.17190 
1 1 1   -8   15   33 o  167.860   15.706  516.875   92.657  456.248  131.136  577.317  130.936  157.653   23.534  178.068   20.804 -20.41521 31.41158 
1 1 1   -8   15   35 o  480.710   19.641  4347.35  333.700  4313.96  471.875  4380.74  471.971  478.748   27.887  482.672   27.666 -3.924011 39.28197 
1 1 1   -8   15   37 o  149.587   14.117  412.280   70.656  409.908  120.657  413.519   87.166  148.280   23.022  150.894   16.344 -2.613464 28.23374 
1 1 1   -8   15   39 o  194.971   14.590  691.542  100.545   0.0000   0.0000  691.542  100.545  ?   ?   194.971   14.590      ?      ? 
1 1 1   -8   15   41 f  159.059   22.436  491.430  126.131   0.0000   0.0000  491.430  126.131  ?   ?   159.059   22.436      ?      ? 
1 1 1   -8   16    2 o  115.316   22.305  245.147   87.623  245.147   87.623   0.0000   0.0000  115.316   22.305  ?   ?       ?      ? 
1 1 1   -8   16    4 o  331.975   16.673  1969.65  195.454  2066.33  276.555  1873.16  276.274  340.205   23.000  323.746   24.144 16.45950 33.34561 
1 1 1   -8   16    6 o  216.414   21.991  835.761  168.207   0.0000   0.0000  835.761  168.207  ?   ?   216.414   21.991      ?      ? 
1 1 1   -8   16    8 o   87.918   21.508  143.427   66.287   0.0000   0.0000  143.427   66.287  ?   ?    87.918   21.508      ?      ? 
1 1 1   -8   16   10 o  509.611   18.652  4627.58  335.961   0.0000   0.0000  4627.58  335.961  ?   ?   509.611   18.652      ?      ? 
1 1 1   -8   16   12 o  558.551   20.331  5574.29  401.359   0.0000   0.0000  5574.29  401.359  ?   ?   558.551   20.331      ?      ? 
1 1 1   -8   16   14 o  135.928   11.339  305.123   52.417  432.349   90.014  239.847   64.476  155.788   16.348  116.068   15.717 39.71917 22.67746 
1 1 1   -8   16   16 o  337.911   14.952  2103.00  165.836  1892.04  286.623  2209.15  203.324  323.826   25.043  351.995   16.343 -28.16864 29.90358 
1 1 1   -8   16   18 o  177.932   15.126  587.408   88.104  516.931  151.965  623.091  108.131  169.018   25.439  186.847   16.374 -17.82974 30.25255 
1 1 1   -8   16   20 o  582.236   18.388  6248.83  353.332  5887.43  611.524  6429.95  432.907  566.415   30.546  598.056   20.480 -31.64136 36.77649 
1 1 1   -8   16   22 o  239.365   14.404  1087.13  111.232  882.190  191.838  1190.92  136.524  220.434   24.623  258.296   14.955 -37.86241 28.80833 
1 1 1   -8   16   24 o  220.744   12.467  903.159   90.271  791.191  154.940  960.696  111.069  209.366   20.938  232.122   13.538 -22.75671 24.93360 
1 1 1   -8   16   26 o  256.220   16.112  1191.23  145.891  1168.29  204.427  1215.05  208.269  253.703   22.798  258.738   22.774 -5.034790 32.22434 
1 1 1   -8   16   28 o  246.953   14.445  1145.32  116.640  980.757  199.647  1230.60  143.719  231.773   24.371  262.132   15.512 -30.35878 28.88928 
1 1 1   -8   16   30 o   52.075   11.788   47.956   24.527   42.407   37.414   52.139   32.481   50.608   17.352   53.542   15.962 -2.933754 23.57649 
1 1 1   -8   16   32 o  151.444   13.814  453.531   65.423  321.958  106.854  532.429   82.745  130.452   24.061  172.436   13.577 -41.98370 27.62757 
1 1 1   -8   16   34 o  242.786   13.950  1112.31  111.205  969.895  189.642  1186.94  137.286  228.927   23.438  256.646   15.135 -27.71886 27.89962 
1 1 1   -8   16   36 o   87.029   17.477  142.725   51.891   0.0000   0.0000  142.725   51.891  ?   ?    87.029   17.477      ?      ? 
1 1 1   -8   16   38 o  224.336   16.201  955.010  128.424  932.863  179.309  978.336  184.019  221.684   22.885  226.987   22.937 -5.302780 32.40112 
1 1 1   -8   17    1 o   88.226   12.995  142.123   38.082  139.424   64.991  143.535   46.996   86.596   21.366   89.856   14.798 -3.260490 25.98973 
1 1 1   -8   17    3 o  416.289   15.668  3061.50  218.724  3233.90  378.407  2975.00  268.035  424.166   25.241  408.411   18.568 15.75415 31.33502 
1 1 1   -8   17    5 o  364.498   17.068  2391.18  218.995  2637.53  309.830  2145.22  309.581  383.603   22.852  345.393   25.359 38.20963 34.13662 
1 1 1   -8   17    7 o  229.615   13.525  934.214  103.978  963.946  179.560  919.214  127.537  231.975   21.900  227.255   15.878 4.720520 27.05058 
1 1 1   -8   17    9 o  324.232   16.429  1896.32  186.907  2157.46  264.503  1635.89  264.149  346.985   21.568  301.478   24.790 45.50659 32.85866 
1 1 1   -8   17   11 o  100.550   16.439  190.257   57.924  141.308   82.285  238.340   81.554   87.527   25.221  113.573   21.093 -26.04595 32.87863 
1 1 1   -8   17   13 o  260.773   22.698  1223.12  209.205   0.0000   0.0000  1223.12  209.205  ?   ?   260.773   22.698      ?      ? 
1 1 1   -8   17   15 o  633.877   31.148  7357.79  697.849   0.0000   0.0000  7357.79  697.849  ?   ?   633.877   31.148      ?      ? 
1 1 1   -8   17   17 o  393.406   25.155  2805.57  349.779   0.0000   0.0000  2805.57  349.779  ?   ?   393.406   25.155      ?      ? 
1 1 1   -8   17   19 o  230.942   13.877  990.443  104.917  868.296  180.716  1052.54  128.857  219.042   23.343  242.843   15.013 -23.80075 27.75354 
1 1 1   -8   17   21 o  230.074   11.948  964.687   91.013  898.928  156.394  998.362  111.917  223.468   19.801  236.681   13.379 -13.21271 23.89696 
1 1 1   -8   17   23 o  275.350   16.366  1376.66  159.182  1324.36  225.188  1428.90  225.046  269.977   23.599  280.723   22.682 -10.74591 32.73189 
1 1 1   -8   17   25 o  322.067   14.643  1936.09  154.328  1701.57  265.973  2055.13  189.489  305.380   24.642  338.755   15.826 -33.37491 29.28653 
1 1 1   -8   17   27 o  194.141   14.513  682.851   97.975  532.472  134.963  850.388  142.455  171.101   22.317  217.181   18.558 -46.08011 29.02527 
1 1 1   -8   17   29 o  137.292   15.220  375.294   65.689  267.562  107.976  438.597   82.769  118.193   26.502  156.390   14.974 -38.19757 30.43930 
1 1 1   -8   17   31 o  307.186   16.721  1739.64  181.082  1601.85  255.973  1877.68  256.206  294.490   24.593  319.883   22.661 -25.39273 33.44112 
1 1 1   -8   17   33 o  128.165   17.323  299.867   73.193  259.741   90.679  374.887  123.989  116.771   22.789  139.558   26.096 -22.78680 34.64600 
1 1 1   -8   17   35 o   56.069   14.485   45.296   41.453   79.939   48.983 -42.1133   77.807   65.394   19.626   46.745   21.308 18.64937 28.96923 
1 1 1   -8   17   37 o  139.430   21.895  367.860  107.901  367.860  107.901   0.0000   0.0000  139.430   21.895  ?   ?       ?      ? 
1 1 1   -8   17   39 o   33.807   13.187   13.516   22.748   0.0000   0.0000   13.516   22.748  ?   ?    33.807   13.187      ?      ? 
1 1 1   -8   18    2 o  351.733   14.584  2155.90  173.056  2423.42  299.427  2021.71  212.061  367.032   23.082  336.433   17.834 30.59863 29.16849 
1 1 1   -8   18    4 o  192.406   12.008  656.625   77.353  673.030  133.390  648.313   94.948  193.915   19.462  190.897   14.072 3.017624 24.01688 
1 1 1   -8   18    6 o  101.912   11.404  194.252   37.219  170.442   63.376  206.788   45.985   95.920   19.361  107.903   12.058 -11.98306 22.80852 
1 1 1   -8   18    8 o   91.944   13.522  153.496   40.808  167.312   69.879  146.347   50.270   94.709   21.382   89.178   16.558 5.531311 27.04374 
1 1 1   -8   18   10 o  200.007   21.892  719.470  154.757   0.0000   0.0000  719.470  154.757  ?   ?   200.007   21.892      ?      ? 
1 1 1   -8   18   12 o  356.583   15.626  2224.04  188.074  2511.62  325.228  2079.55  230.530  372.568   24.698  340.599   19.150 31.96863 31.25228 
1 1 1   -8   18   14 o  364.021   17.522  2404.00  225.083  2253.32  318.391  2554.55  318.241  352.312   25.569  375.729   23.964 -23.41714 35.04353 
1 1 1   -8   18   16 o  246.296   15.907  1097.40  138.191  1176.54  195.491  1018.36  195.372  255.380   21.658  237.212   23.303 18.16824 31.81334 
1 1 1   -8   18   18 o  334.721   24.046  2033.90  284.479   0.0000   0.0000  2033.90  284.479  ?   ?   334.721   24.046      ?      ? 
1 1 1   -8   18   20 o  134.085   21.315  324.907  101.017   0.0000   0.0000  324.907  101.017  ?   ?   134.085   21.315      ?      ? 
1 1 1   -8   18   22 o  110.105   16.633  217.348   64.727   0.0000   0.0000  217.348   64.727  ?   ?   110.105   16.633      ?      ? 
1 1 1   -8   18   24 o  432.089   18.512  3362.09  282.712   0.0000   0.0000  3362.09  282.712  ?   ?   432.089   18.512      ?      ? 
1 1 1   -8   18   26 o  115.810   14.115  251.426   53.449  231.602   89.115  262.565   66.797  110.642   23.513  120.978   15.622 -10.33620 28.22950 
1 1 1   -8   18   28 o  380.159   17.799  2665.78  239.072  2584.77  338.074  2746.82  338.124  374.130   25.566  386.188   24.772 -12.05765 35.59887 
1 1 1   -8   18   30 o  297.661   15.352  1621.09  159.411  1298.31  219.099  1984.16  232.370  265.384   23.358  329.938   19.926 -64.55380 30.70303 
1 1 1   -8   18   32 o  182.573   14.523  593.321   91.225  431.736  119.017  823.458  142.037  152.842   22.032  212.304   18.929 -59.46188 29.04630 
1 1 1   -8   18   34 o  157.142   13.582  469.641   71.674  400.579  115.825  512.497   91.242  146.305   22.399  167.979   15.368 -21.67447 27.16397 
1 1 1   -8   18   36 o  189.934   15.790  687.874  105.821  644.216  149.528  731.681  149.780  183.432   23.063  196.436   21.573 -13.00406 31.58039 
1 1 1   -8   18   38 o  180.403   22.786  639.573  145.286   0.0000   0.0000  639.573  145.286  ?   ?   180.403   22.786      ?      ? 
1 1 1   -8   19    1 o  382.259   15.305  2588.13  196.443  2767.62  339.762  2497.99  240.765  391.032   24.583  373.487   18.239 17.54544 30.61048 
1 1 1   -8   19    3 o  288.027   14.552  1461.60  140.962  1585.85  243.760  1399.17  172.783  296.377   23.270  279.678   17.479 16.69928 29.10359 
1 1 1   -8   19    5 o  173.682   13.227  530.027   77.439  575.555  133.310  506.840   95.136  178.875   21.086  168.489   15.975 10.38531 26.45438 
1 1 1   -8   19    7 o  188.650   13.625  624.147   86.611  685.903  149.565  592.989  106.237  195.135   21.686  182.165   16.500 12.96991 27.24942 
1 1 1   -8   19    9 o   33.135   12.662   13.323   20.663   0.0000   0.0000   13.323   20.663  ?   ?    33.135   12.662      ?      ? 
1 1 1   -8   19   11 o   68.570   11.288   94.063   27.935   45.384   45.648  123.209   35.321   53.905   19.118   83.235   12.006 -29.32984 22.57513 
1 1 1   -8   19   13 o  403.429   15.924  2947.10  213.850  2929.50  369.642  2955.96  262.180  400.962   26.083  405.896   18.275 -4.933716 31.84821 
1 1 1   -8   19   15 f  117.050   14.189  263.210   53.062  215.629   89.816  288.721   65.766  106.930   24.315  127.171   14.632 -20.24019 28.37749 
1 1 1   -8   19   17 o   42.232   11.067   22.034   21.935   37.155   34.537   11.812   28.397   47.991   16.659   36.473   14.575 11.51885 22.13436 
1 1 1   -8   19   19 o  198.790   13.513  754.544   86.601  595.117  148.092  837.394  106.757  180.996   23.150  216.585   13.946 -35.58899 27.02580 
1 1 1   -8   19   21 o  154.736   15.306  434.213   83.626  455.776  118.205  412.607  118.325  158.685   21.076  150.788   22.202 7.897308 30.61214 
1 1 1   -8   19   23 o  600.709   30.720  6737.77  652.235   0.0000   0.0000  6737.77  652.235  ?   ?   600.709   30.720      ?      ? 
1 1 1   -8   19   27 o  300.772   24.759  1670.13  263.199   0.0000   0.0000  1670.13  263.199  ?   ?   300.772   24.759      ?      ? 
1 1 1   -8   19   29 o  268.217   13.999  1292.46  132.709   0.0000   0.0000  1292.46  132.709  ?   ?   268.217   13.999      ?      ? 
1 1 1   -8   19   31 o  273.253   14.345  1416.91  129.292  1241.57  218.659  1511.16  160.321  257.661   24.010  288.846   15.704 -31.18546 28.68981 
1 1 1   -8   19   33 o   67.730   13.901   86.535   34.992   91.510   53.260   82.757   46.417   69.392   20.376   66.069   18.915 3.322380 27.80234 
1 1 1   -8   19   35 o   95.890   13.732  181.697   44.918  143.007   68.681  210.612   59.376   84.831   22.528  106.948   15.708 -22.11612 27.46332 
1 1 1   -8   19   37 o  152.475   22.534  458.619  121.439   0.0000   0.0000  458.619  121.439  ?   ?   152.475   22.534      ?      ? 
1 1 1   -8   20    2 o   96.706   15.428  173.729   49.406  178.205   84.874  171.435   60.762   97.233   24.660   96.179   18.547 1.054077 30.85596 
1 1 1   -8   20    4 o  220.982   13.373  859.797   99.473  933.614  171.738  822.529  122.027  227.490   21.359  214.475   16.098 13.01491 26.74591 
1 1 1   -8   20    6 o  327.002   13.897  1921.77  151.541  1927.90  261.810  1918.69  185.836  326.441   22.691  327.563   16.052 -1.121399 27.79481 
1 1 1   -8   20    8 f  375.163   25.088  2560.79  332.665   0.0000   0.0000  2560.79  332.665  ?   ?   375.163   25.088      ?      ? 
1 1 1   -8   20   10 o  168.717   12.744  502.347   72.665  539.943  124.101  482.733   89.637  173.095   20.285  164.339   15.432 8.755615 25.48771 
1 1 1   -8   20   12 o  222.008   15.503  896.229  120.587  1030.37  170.680  762.539  170.391  239.070   20.199  204.946   23.523 34.12445 31.00530 
1 1 1   -8   20   14 o  117.273   13.875  271.372   51.370  196.624   85.632  313.394   64.206  102.010   24.129  132.536   13.706 -30.52589 27.74984 
1 1 1   -8   20   16 o  244.958   13.914  1088.96  113.462  1060.55  195.104  1103.48  139.472  241.679   22.841  248.238   15.896 -6.558914 27.82776 
1 1 1   -8   20   18 o  103.376   14.364  203.590   49.076  173.201   81.347  220.980   61.535   95.671   24.076  111.080   15.673 -15.40888 28.72808 
1 1 1   -8   20   20 o  141.776   18.917  390.065   90.819  497.675  124.861  269.178  132.339  165.606   21.332  117.945   31.247 47.66077 37.83422 
1 1 1   -8   20   22 o  379.252   15.925  2644.67  209.517  2057.65  293.441  3255.17  299.249  334.699   24.805  423.804   19.978 -89.10535 31.84994 
1 1 1   -8   20   24 o  388.087   16.520  2773.16  224.318  2312.63  314.353  3250.96  320.194  354.017   25.123  422.157   21.459 -68.14005 33.04055 
1 1 1   -8   20   26 o  183.683   15.566  619.461  100.941  586.407  142.734  652.532  142.771  178.591   22.612  188.775   21.398 -10.18359 31.13195 
1 1 1   -8   20   28 o   37.719   14.214   18.956   25.813   18.956   25.813   0.0000   0.0000   37.719   14.214  ?   ?       ?      ? 
1 1 1   -8   20   30 o  187.812   22.221  657.294  147.502   0.0000   0.0000  657.294  147.502  ?   ?   187.812   22.221      ?      ? 
1 1 1   -8   20   32 o   65.705   17.871   82.349   42.601   0.0000   0.0000   82.349   42.601  ?   ?    65.705   17.871      ?      ? 
1 1 1   -8   20   34 o   96.144   15.929  184.992   53.218  173.596   75.161  196.449   75.362   92.917   23.008   99.370   22.035 -6.453362 31.85755 
1 1 1   -8   20   36 o  207.901   15.297  807.754  112.406   0.0000   0.0000  807.754  112.406  ?   ?   207.901   15.297      ?      ? 
1 1 1   -8   21    1 o   65.452   12.250   81.041   28.243   69.300   47.474   87.472   35.136   62.231   19.446   68.672   14.904 -6.440945 24.50069 
1 1 1   -8   21    3 o  174.008   13.380  535.180   78.367  575.954  135.033  514.472   96.230  178.488   21.405  169.528   16.060 8.959885 26.75996 
1 1 1   -8   21    5 o  238.043   13.690  999.623  109.702  1088.16  189.421  954.942  134.566  245.207   21.856  230.880   16.490 14.32663 27.37932 
1 1 1   -8   21    7 o   61.745   12.566   70.433   28.396   64.169   47.020   74.029   35.627   60.385   19.412   63.105   15.962 -2.720367 25.13214 
1 1 1   -8   21    9 f  232.243   14.323  945.450  112.459  1068.79  193.785  882.819  138.091  242.748   22.586  221.737   17.620 21.01123 28.64613 
1 1 1   -8   21   11 o  262.784   14.299  1225.66  126.396  1315.15  217.897  1180.27  155.169  269.107   22.909  256.461   17.118 12.64505 28.59828 
1 1 1   -8   21   13 o  123.808   14.014  275.967   57.486  297.091   96.908  264.497   71.407  126.180   22.557  121.436   16.637 4.744606 28.02898 
1 1 1   -8   21   15 o  152.821   14.267  419.679   75.925  329.021  103.259  526.379  112.023  134.690   21.691  170.953   18.540 -36.26251 28.53449 
1 1 1   -8   21   17 o  255.689   15.338  1188.57  137.807  1029.34  191.972  1357.85  197.942  237.623   22.858  273.754   20.458 -36.13121 30.67546 
1 1 1   -8   21   19 o  301.073   16.773  1659.14  178.447  1635.72  249.029  1683.85  255.832  298.958   23.568  303.189   23.874 -4.230133 33.54697 
1 1 1   -8   21   21 o  176.812   13.588  585.904   79.162  508.055  134.057  627.585   98.091  166.595   22.767  187.029   14.839 -20.43398 27.17581 
1 1 1   -8   21   23 o  189.290   13.652  664.217   85.839  610.213  145.638  692.964  106.258  182.307   22.602  196.274   15.317 -13.96693 27.30340 
1 1 1   -8   21   25 o  104.253   13.768  210.540   47.935  161.855   74.303  245.246   62.736   91.874   22.949  116.632   15.219 -24.75874 27.53680 
1 1 1   -8   21   27 o  307.923   14.939  1763.72  153.306  1710.92  261.984  1791.21  189.055  302.066   24.539  313.779   17.047 -11.71277 29.87884 
1 1 1   -8   21   29 o  299.204   14.289  1699.37  141.663  1539.38  239.699  1785.25  175.616  285.388   23.763  313.020   15.873 -27.63205 28.57741 
1 1 1   -8   21   31 o  104.243   15.982  214.237   57.216  198.576   80.717  230.053   81.116  100.044   23.267  108.441   21.918 -8.397026 31.96448 
1 1 1   -8   21   33 o  194.835   22.952  744.294  158.057   0.0000   0.0000  744.294  158.057  ?   ?   194.835   22.952      ?      ? 
1 1 1   -8   21   35 o  165.884   22.957  554.432  134.597   0.0000   0.0000  554.432  134.597  ?   ?   165.884   22.957      ?      ? 
1 1 1   -8   22    2 o  155.430   13.006  421.534   68.796  483.422  117.021  388.847   85.045  163.586   20.239  147.273   16.338 16.31316 26.01106 
1 1 1   -8   22    4 o  262.847   13.780  1229.08  121.580  1300.80  209.897  1192.86  149.148  267.754   22.179  257.939   16.360 9.815338 27.56033 
1 1 1   -8   22    6 o  233.004   13.922  963.636  109.056  1032.10  188.167  929.005  133.823  238.443   22.327  227.565   16.638 10.87762 27.84500 
1 1 1   -8   22    8 o  144.419   15.197  378.019   77.567  374.454  109.625  381.593  109.768  143.722   21.581  145.116   21.401 -1.393616 30.39322 
1 1 1   -8   22   10 o   63.002   14.527   69.295   36.582   69.602   46.787   68.812   58.680   62.176   19.284   63.827   21.731 -1.651314 29.05402 
1 1 1   -8   22   12 o  128.283   14.764  297.539   64.205  225.116   85.433  391.525   97.323  109.257   22.858  147.308   18.693 -38.05053 29.52794 
1 1 1   -8   22   14 o  379.122   18.577  2654.74  248.336  2830.84  349.097  2474.32  353.342  392.524   25.163  365.720   27.335 26.80353 37.15369 
1 1 1   -8   22   16 o  239.438   15.962  1047.36  135.049  1019.92  190.922  1074.83  191.054  236.197   22.870  242.679   22.274 -6.482178 31.92439 
1 1 1   -8   22   18 o   79.089   14.098  113.007   38.772  145.063   62.764   93.225   49.305   87.614   20.613   70.565   19.240 17.04938 28.19660 
1 1 1   -8   22   20 o  126.122   13.255  320.858   51.779  209.869   84.229  388.281   65.648  104.908   23.320  147.336   12.606 -42.42783 26.50953 
1 1 1   -8   22   22 o  104.818   13.878  208.305   48.264  188.016   78.733  220.520   61.087   99.083   22.935  110.554   15.633 -11.47181 27.75677 
1 1 1   -8   22   24 o  159.740   12.706  489.339   67.238  378.226  108.007  559.649   85.917  143.150   21.347  176.330   13.786 -33.18011 25.41169 
1 1 1   -8   22   26 o  149.059   15.524  414.598   81.705  434.161  115.469  394.981  115.627  152.783   21.383  145.335   22.510 7.447861 31.04700 
1 1 1   -8   22   28 o  114.769   13.762  256.051   52.180  217.490   82.689  281.566   67.263  105.358   22.862  124.181   15.325 -18.82330 27.52349 
1 1 1   -8   22   30 o  215.031   13.835  887.104   99.639  826.747  166.120  921.019  124.525  206.780   22.730  223.283   15.779 -16.50363 27.66976 
1 1 1   -8   22   32 o  171.855   14.498  569.755   84.951  585.434  139.906  560.597  106.918  171.691   23.055  172.019   17.586 -0.3280640 28.99639 
1 1 1   -8   23    1 o  419.293   25.978  3237.52  384.977   0.0000   0.0000  3237.52  384.977  ?   ?   419.293   25.978      ?      ? 
1 1 1   -8   23    3 o  132.774   21.429  320.435  100.560   0.0000   0.0000  320.435  100.560  ?   ?   132.774   21.429      ?      ? 
1 1 1   -8   23    5 o  347.625   24.976  2218.76  306.867   0.0000   0.0000  2218.76  306.867  ?   ?   347.625   24.976      ?      ? 
1 1 1   -8   23    9 o  261.393   18.052  1270.92  164.381  1489.78  230.578  1044.72  234.410  285.568   22.845  237.218   27.958 48.34943 36.10461 
1 1 1   -8   23   11 o   74.381   12.723  106.777   32.882   85.328   52.521  120.604   42.168   68.067   20.298   80.695   15.346 -12.62782 25.44627 
1 1 1   -8   23   13 o  348.074   14.871  2218.80  172.219  2169.58  296.408  2243.88  211.600  343.331   24.426  352.816   16.969 -9.485565 29.74184 
1 1 1   -8   23   15 o  142.380   13.501  391.734   60.978  312.879  101.706  435.985   76.190  128.782   23.198  155.978   13.820 -27.19594 27.00251 
1 1 1   -8   23   17 o  165.963   13.812  509.932   76.489  474.112  129.051  529.330   94.967  160.524   22.746  171.402   15.676 -10.87784 27.62435 
1 1 1   -8   23   19 o  395.552   15.822  2906.01  207.874  2821.61  357.694  2949.05  255.437  388.223   26.068  402.881   17.939 -14.65765 31.64398 
1 1 1   -8   23   21 o  111.914   13.746  243.934   49.890  196.993   81.712  271.833   62.995  101.061   23.346  122.768   14.518 -21.70639 27.49201 
1 1 1   -8   23   23 o  171.859   14.281  527.609   83.764  616.678  141.764  479.832  103.828  181.906   22.050  161.812   18.154 20.09343 28.56153 
1 1 1   -8   23   25 o   99.308   15.014  192.069   50.447  182.853   78.668  198.506   65.744   96.473   23.328  102.144   18.907 -5.670624 30.02752 
1 1 1   -8   23   27 o  166.783   13.930  518.001   79.885  547.517  130.070  500.125  101.225  169.464   21.716  164.101   17.452 5.363358 27.85983 
1 1 1   -8   23   29 o   79.520   18.092  129.361   55.419  137.411   65.047  108.043  105.846   82.581   21.920   76.459   28.789 6.122009 36.18430 
1 1 1   -8   23   31 o  139.631   14.262  400.087   64.149  318.704  102.368  452.710   82.316  123.707   24.279  155.555   14.972 -31.84833 28.52460 
1 1 1   -8   24    2 f   66.665   19.928   81.854   50.578   81.854   50.578   0.0000   0.0000   66.665   19.928  ?   ?       ?      ? 
1 1 1   -8   24    4 o  108.572   22.567  223.193   83.774  223.193   83.774   0.0000   0.0000  108.572   22.567  ?   ?       ?      ? 
1 1 1   -8   24    6 o  211.729   22.291  820.591  166.811   0.0000   0.0000  820.591  166.811  ?   ?   211.729   22.291      ?      ? 
1 1 1   -8   24    8 o  140.204   21.643  359.368  107.248   0.0000   0.0000  359.368  107.248  ?   ?   140.204   21.643      ?      ? 
1 1 1   -8   24   10 o  178.864   15.404  575.590   97.384   0.0000   0.0000  575.590   97.384  ?   ?   178.864   15.404      ?      ? 
1 1 1   -8   24   12 o  206.721   12.483  835.743   82.481  603.378  138.482  963.494  102.681  181.405   21.599  232.037   12.520 -50.63264 24.96503 
1 1 1   -8   24   14 o  239.579   14.303  1033.04  115.813  1108.10  197.424  993.660  143.003  245.011   22.798  234.148   17.280 10.86349 28.60645 
1 1 1   -8   24   16 f  195.957   13.714  681.071   91.452  780.567  155.462  628.422  113.088  205.866   21.366  186.048   17.198 19.81883 27.42740 
1 1 1   -8   24   18 f   65.253   12.365   82.298   29.584   59.365   45.915   98.576   38.684   58.027   19.218   72.478   15.566 -14.45118 24.73080 
1 1 1   -8   24   20 o   78.257   11.956  122.251   32.747   70.454   50.452  159.959   43.047   62.274   20.118   94.239   12.924 -31.96481 23.91132 
1 1 1   -8   24   22 o  157.042   13.449  476.241   69.545  394.298  115.616  522.700   87.056  144.486   22.640  169.598   14.523 -25.11243 26.89758 
1 1 1   -8   24   24 f   41.150   9.5121   26.609   17.103   8.8798   23.545   46.414   24.886   32.586   13.183   49.713   13.716 -17.12703 19.02427 
1 1 1   -8   24   26 o  149.980   13.844  431.570   70.811  412.137  114.327  443.665   90.194  145.687   22.203  154.273   16.541 -8.586929 27.68717 
1 1 1   -8   24   28 o  139.449   14.177  397.635   63.467  312.841  101.560  451.969   81.297  123.081   24.209  155.818   14.762 -32.73738 28.35424 
1 1 1   -8   25    1 o   84.854   14.917  131.279   44.367  100.994   57.243  176.840   70.212   73.273   21.013   96.435   21.179 -23.16180 29.83471 
1 1 1   -8   25    3 o   99.397   14.186  183.023   47.070  202.949   76.415  170.839   59.751  103.341   21.616   95.453   18.378 7.887627 28.37226 
1 1 1   -8   25    5 o  118.096   16.347  252.173   68.232   0.0000   0.0000  252.173   68.232  ?   ?   118.096   16.347      ?      ? 
1 1 1   -8   25    7 o   87.334   14.096  140.077   41.598  167.311   68.071  123.846   52.553   93.748   21.058   80.921   18.743 12.82736 28.19106 
1 1 1   -8   25    9 o  197.727   15.765  723.079  109.956  773.234  155.504  672.928  155.497  204.903   21.472  190.551   23.088 14.35257 31.52964 
1 1 1   -8   25   11 o  182.755   15.616  617.882  100.846  604.200  142.592  631.574  142.645  180.638   22.334  184.872   21.831 -4.234802 31.23104 
1 1 1   -8   25   13 o   94.820   15.767  173.119   51.953  172.854   73.377  173.385   73.568   94.750   22.284   94.891   22.311 -0.1409073 31.53362 
1 1 1   -8   25   15 o  171.430   12.841  565.821   72.051  452.983  120.000  629.434   90.100  156.056   21.756  186.805   13.646 -30.74933 25.68166 
1 1 1   -8   25   17 f   63.994   13.796   76.782   30.285   0.0000   0.0000   76.782   30.285  ?   ?    63.994   13.796      ?      ? 
1 1 1   -8   25   19 o   62.760   13.806   73.583   33.889   70.677   47.779   76.526   48.075   61.734   19.539   63.785   19.509 -2.050983 27.61165 
1 1 1   -8   25   21 o   50.492   11.508   46.128   23.293   47.886   34.438   44.646   31.624   51.378   16.623   49.605   15.917 1.772686 23.01523 
1 1 1   -8   25   23 o  165.939   13.534  550.289   73.405  425.516  120.044  624.808   92.771  147.548   23.019  184.329   14.240 -36.78064 27.06724 
1 1 1   -8   25   25 o  183.069   14.223  645.794   88.884  663.940  146.015  635.111  112.032  183.006   22.574  183.133   17.308 -0.1261902 28.44595 
1 1 1   -8   26    2 o  225.608   13.875  939.325  104.463  928.327  179.024  945.004  128.633  223.080   22.705  228.136   15.953 -5.056396 27.74943 
1 1 1   -8   26    4 o   96.678   17.880  175.765   58.846   0.0000   0.0000  175.765   58.846  ?   ?    96.678   17.880      ?      ? 
1 1 1   -8   26    6 o  238.230   12.900  1058.14  101.824  982.098  173.939  1097.78  125.594  230.023   21.395  246.437   14.419 -16.41354 25.80005 
1 1 1   -8   26    8 o  147.128   12.994  402.480   64.019  379.362  107.560  415.162   79.666  142.879   21.299  151.378   14.890 -8.498764 25.98787 
1 1 1   -8   26   10 o   34.493   8.5981   16.171   12.816   9.4301   15.932   28.529   21.572   28.574   11.066   40.412   13.163 -11.83780 17.19625 
1 1 1   -8   26   12 o  120.915   11.007  266.886   46.894  274.007   64.431  258.864   68.383  122.798   14.845  119.032   16.254 3.765938 22.01306 
1 1 1   -8   26   14 o   71.111   12.593   93.628   30.270   86.647   37.085  107.566   52.398   67.555   15.811   74.668   19.605 -7.113419 25.18611 
1 1 1   -8   26   16 o   63.475   12.281   74.565   27.170   69.300   33.267   85.113   47.086   60.358   15.510   66.592   19.046 -6.233944 24.56259 
1 1 1   -8   26   18 o   77.577   21.479  119.027   60.906   0.0000   0.0000  119.027   60.906  ?   ?    77.577   21.479      ?      ? 
1 1 1   -8   26   20 o   70.263   20.886   97.469   55.673   0.0000   0.0000   97.469   55.673  ?   ?    70.263   20.886      ?      ? 
1 1 1   -8   26   22 o   74.730   18.813  111.064   49.657   0.0000   0.0000  111.064   49.657  ?   ?    74.730   18.813      ?      ? 
1 1 1   -8   27    1 o  144.182   13.865  381.261   67.694  411.792  114.912  365.035   83.772  147.519   22.039  140.846   16.828 6.673172 27.72933 
1 1 1   -8   27    3 o  166.075   13.095  523.808   72.002  472.363  121.871  551.392   89.241  158.142   21.804  174.008   14.510 -15.86598 26.19085 
1 1 1   -8   27    5 o   86.936   15.574  148.241   47.935  141.298   67.560  155.280   68.022   84.841   22.254   89.030   21.793 -4.188774 31.14747 
1 1 1   -8   27    7 o  161.214   13.264  502.136   70.393  424.339  117.829  545.312   87.780  149.440   22.308  172.988   14.357 -23.54889 26.52888 
1 1 1   -8   27    9 o  143.429   11.632  382.521   58.350  430.947   81.049  330.417   84.072  153.455   14.943  133.403   17.831 20.05237 23.26438 
1 1 1   -8   27   11 o  150.147   11.607  419.502   61.120  462.854   84.875  372.805   88.088  158.758   15.126  141.536   17.609 17.22215 23.21352 
1 1 1   -8   27   13 o   96.352   10.495  171.297   34.290  132.089   46.273  219.051   51.068   83.137   16.330  109.566   13.187 -26.42895 20.98990 
1 1 1   -8   27   15 o  121.122   14.160  287.043   54.943  293.168   67.274  274.776   95.213  125.857   15.123  116.388   23.945 9.468788 28.32063 
1 1 1   -8   27   17 o   45.524   10.585   37.724   20.558   49.738   26.220   18.556   33.120   51.070   14.074   39.979   15.815 11.09081 21.17057 
1 1 1   -8   27   19 o   30.258   8.4297   9.7078   13.357   14.427   19.178   5.2620   18.614   32.348   12.237   28.169   11.597 4.178913 16.85942 
1 1 1   -8   28    2 o   60.122   12.656   46.152   26.362   24.425   29.777  124.917   56.694   40.881   15.294   79.363   20.169 -38.48143 25.31195 
1 1 1   -8   28    4 o  164.213   15.967  527.653   92.125  587.881  130.343  467.535  130.225  174.573   21.125  153.853   23.948 20.71947 31.93354 
1 1 1   -8   28    6 o   60.894   13.523   66.700   32.042   92.575   51.827   50.691   40.766   68.630   20.086   53.157   18.113 15.47283 27.04631 
1 1 1   -8   28    8 o   54.310   12.765   52.968   28.204   62.215   44.665   46.836   36.372   57.679   18.947   50.941   17.110 6.738216 25.52958 
1 1 1   -8   28   10 o  165.428   13.872  531.253   75.571  542.363   92.560  509.042  130.876  170.648   15.346  160.209   23.113 10.43916 27.74369 
1 1 1   -8   28   12 o  168.103   10.609  525.172   62.650  451.423   86.223  607.656   91.187  155.211   15.717  180.994   14.254 -25.78305 21.21837 
1 1 1   -8   28   14 o   84.247   14.918  140.729   43.606  170.005   69.886  122.065   55.802   90.868   21.996   77.626   20.159 13.24182 29.83644 
1 1 1   -7    0    1 o  467.114   13.233  3880.96  307.852  3880.96  307.852  3880.96  307.852  467.114   18.715  467.114   18.715 -0.000000 0.000000 
1 1 1   -7    0    3 o  1357.53   26.269 32853.35  1779.45 32853.35  1779.45 32853.35  1779.45  1357.53   37.150  1357.53   37.150 -0.000000 0.000000 
1 1 1   -7    0    5 o  1482.00   28.355 39209.39  2097.01 39209.39  2097.01 39209.39  2097.01  1482.00   40.101  1482.00   40.101 -0.000000 0.000000 
1 1 1   -7    0    7 o  888.873   18.848 14054.94  835.695 14054.94  835.695 14054.94  835.695  888.873   26.655  888.873   26.655 -0.000000 0.000000 
1 1 1   -7    0    9 f  339.902   11.997  2060.30  202.662  2060.30  202.662  2060.30  202.662  339.902   16.966  339.902   16.966 -0.000000 0.000000 
1 1 1   -7    0   11 o  1023.65   20.907 18645.47  1067.71 18645.47  1067.71 18645.47  1067.71  1023.65   29.567  1023.65   29.567 -0.000000 0.000000 
1 1 1   -7    0   13 o  574.368   14.504  5862.11  415.207  5862.11  415.207  5862.11  415.207  574.368   20.512  574.368   20.512 -0.000000 0.000000 
1 1 1   -7    0   15 o  576.069   14.515  5894.66  416.752  5894.66  416.752  5894.66  416.752  576.069   20.527  576.069   20.527 -0.000000 0.000000 
1 1 1   -7    0   17 o  541.550   14.036  5209.45  378.791  5209.45  378.791  5209.45  378.791  541.550   19.850  541.550   19.850 -0.000000 0.000000 
1 1 1   -7    0   21 o  1405.65   38.499 35396.23  2695.75 35396.23  2695.75 35396.23  2695.75  1405.65   54.446  1405.65   54.446 -0.000000 0.000000 
1 1 1   -7    0   35 o  474.977   19.201  4089.75  452.451  4089.75  452.451  4089.75  452.451  474.977   27.154  474.977   27.154 -0.000000 0.000000 
1 1 1   -7    0   37 o  407.935   18.241  3024.08  368.528  3024.08  368.528  3024.08  368.528  407.935   25.796  407.935   25.796 -0.000000 0.000000 
1 1 1   -7    0   39 o  716.383   15.992  9224.04  571.362  9224.04  571.362  9224.04  571.362  716.383   22.617  716.383   22.617 -0.000000 0.000000 
1 1 1   -7    0   41 o  172.594   9.4981  538.980   80.799  538.980   80.799  538.980   80.799  172.594   13.432  172.594   13.432 -0.000000 0.000000 
1 1 1   -7    0   43 o  193.377   10.618  678.583  101.207  678.583  101.207  678.583  101.207  193.377   15.016  193.377   15.016 -0.000000 0.000000 
1 1 1   -7    0   45 o  119.828   11.087  269.491   63.259  269.491   63.259  269.491   63.259  119.828   15.680  119.828   15.680 -0.000000 0.000000 
1 1 1   -7    1    2 o  128.869   10.410  294.099   47.414  294.086   67.062  294.112   67.044  128.866   14.724  128.872   14.719 -0.5752563E-02 20.81929 
1 1 1   -7    1    4 o  786.615   17.206 11000.41  478.298 11219.44  676.430 10781.39  676.401  794.493   24.089  778.737   24.575 15.75568 34.41210 
1 1 1   -7    1    6 o  435.311   12.844  3361.16  197.555  3452.83  279.398  3269.51  279.371  441.268   17.914  429.353   18.410 11.91495 25.68730 
1 1 1   -7    1    8 o  1434.30   33.890 37042.01  1623.56 38173.54  2812.06 36476.23  1988.45  1444.68   55.072  1423.92   39.510 20.75793 67.77923 
1 1 1   -7    1   10 o  866.602   18.500 13371.71  566.643 13316.20  801.355 13427.21  801.352  864.790   26.218  868.415   26.108 -3.624268 37.00003 
1 1 1   -7    1   12 f  176.071   10.703  548.994   66.603  550.168   94.190  547.821   94.192  176.260   15.119  175.882   15.152 0.3772125 21.40512 
1 1 1   -7    1   14 o  850.865   22.333 12871.32  633.227 12912.68  1096.83 12850.64  775.524  850.926   36.469  850.804   25.790 0.1228027 44.66678 
1 1 1   -7    1   16 o  803.818   21.759 11573.10  580.215 11212.67  1005.00 11753.30  710.602  793.567   35.831  814.068   24.697 -20.50122 43.51814 
1 1 1   -7    1   18 o  1445.44   55.763 37565.01  2848.83   0.0000   0.0000 37565.01  2848.83  ?   ?   1445.44   55.763      ?      ? 
1 1 1   -7    1   20 o  1791.64   47.792 58276.08  3024.43 60656.64  4277.30 55895.75  4277.09  1829.23   66.158  1754.05   68.990 75.18030 95.58491 
1 1 1   -7    1   24 o  395.368   24.868  2776.35  347.501  2776.35  347.501   0.0000   0.0000  395.368   24.868  ?   ?       ?      ? 
1 1 1   -7    1   26 o  1215.59   48.531 26759.17  2085.10 26759.17  2085.10   0.0000   0.0000  1215.59   48.531  ?   ?       ?      ? 
1 1 1   -7    1   28 f  384.301   24.733  2634.55  335.939   0.0000   0.0000  2634.55  335.939  ?   ?   384.301   24.733      ?      ? 
1 1 1   -7    1   30 o  659.824   31.567  7877.22  736.178   0.0000   0.0000  7877.22  736.178  ?   ?   659.824   31.567      ?      ? 
1 1 1   -7    1   32 o   82.497   15.342  125.031   43.087   0.0000   0.0000  125.031   43.087  ?   ?    82.497   15.342      ?      ? 
1 1 1   -7    1   34 o  617.539   20.561  6855.25  448.772   0.0000   0.0000  6855.25  448.772  ?   ?   617.539   20.561      ?      ? 
1 1 1   -7    1   36 o  394.877   17.383  2795.06  242.604   0.0000   0.0000  2795.06  242.604  ?   ?   394.877   17.383      ?      ? 
1 1 1   -7    1   38 f  670.080   21.309  8124.64  504.678   0.0000   0.0000  8124.64  504.678  ?   ?   670.080   21.309      ?      ? 
1 1 1   -7    1   40 o  525.576   19.650  4996.80  365.028   0.0000   0.0000  4996.80  365.028  ?   ?   525.576   19.650      ?      ? 
1 1 1   -7    1   42 o  459.664   18.459  3825.76  299.891   0.0000   0.0000  3825.76  299.891  ?   ?   459.664   18.459      ?      ? 
1 1 1   -7    1   44 o  127.533   14.517  293.009   65.437   0.0000   0.0000  293.009   65.437  ?   ?   127.533   14.517      ?      ? 
1 1 1   -7    1   46 o  142.186   21.777  378.661  109.438   0.0000   0.0000  378.661  109.438  ?   ?   142.186   21.777      ?      ? 
1 1 1   -7    2    1 o  112.816   10.504  225.436   41.885  224.710   59.240  226.162   59.229  112.633   14.881  112.998   14.830 -0.3642731 21.00877 
1 1 1   -7    2    3 o  827.026   17.854 12167.52  521.798 12404.54  737.945 11930.52  737.922  835.135   25.000  818.918   25.495 16.21631 35.70714 
1 1 1   -7    2    5 o  706.360   16.200  8868.11  404.371  9056.38  571.880  8679.87  571.854  713.901   22.665  698.820   23.153 15.08057 32.39946 
1 1 1   -7    2    7 o  1377.59   32.853 34206.09  1509.77 34865.92  2614.94 33876.16  1849.10  1382.05   53.533  1373.13   38.100 8.920166 65.70672 
1 1 1   -7    2    9 o  828.146   17.874 12208.98  523.059 12519.95  739.738 11898.05  739.696  838.769   24.953  817.522   25.600 21.24634 35.74873 
1 1 1   -7    2   11 o  931.930   23.681 15443.30  736.598 15724.58  1275.93 15302.69  902.110  936.663   38.541  927.197   27.528 9.466492 47.36205 
1 1 1   -7    2   13 o  521.430   19.523  4832.06  359.791  4873.48  508.867  4790.66  508.776  523.677   27.493  519.183   27.726 4.493164 39.04594 
1 1 1   -7    2   15 f  634.411   21.548  7153.13  483.138  7077.73  683.303  7228.51  683.216  631.049   30.636  637.774   30.309 -6.724731 43.09515 
1 1 1   -7    2   17 o  1029.13   29.793 18907.70  1083.30 18334.89  1532.07 19480.43  1531.97  1013.39   42.774  1044.88   41.482 -31.49384 59.58538 
1 1 1   -7    2   19 o  1861.59   70.555 62979.52  4642.29 62979.52  4642.29   0.0000   0.0000  1861.59   70.555  ?   ?       ?      ? 
1 1 1   -7    2   21 o  1621.40   43.603 47604.34  2497.71 49179.40  3532.43 46029.52  3532.17  1648.88   60.613  1593.92   62.698 54.96155 87.20630 
1 1 1   -7    2   23 o  371.747   15.787  2548.92  191.107  2188.59  331.074  2728.97  234.033  350.957   26.690  392.537   16.868 -41.58014 31.57390 
1 1 1   -7    2   25 o  586.132   20.578  6124.65  425.881  6441.48  602.401  5808.06  602.174  601.419   28.339  570.845   29.846 30.57349 41.15683 
1 1 1   -7    2   27 o  702.692   22.994  8845.81  571.064  8742.08  807.673  8949.51  807.541  698.515   32.714  706.868   32.323 -8.353394 45.98895 
1 1 1   -7    2   29 f  272.333   16.110  1324.25  155.061  1340.09  219.372  1308.44  219.207  273.976   22.654  270.690   22.912 3.285858 32.22059 
1 1 1   -7    2   31 o  315.115   14.055  1762.20  147.975  1815.03  256.499  1735.85  181.161  318.055   22.817  312.175   16.419 5.879547 28.11069 
1 1 1   -7    2   33 o  219.427   15.754  866.700  122.163  852.636  173.077  880.663  172.455  217.613   22.503  221.241   22.054 -3.628357 31.50796 
1 1 1   -7    2   35 o  637.784   17.483  7061.80  377.647  8522.70  654.722  6333.42  462.302  683.332   27.108  592.236   22.086 91.09595 34.96636 
1 1 1   -7    2   37 o  438.768   18.607  3522.46  288.375  3664.01  407.814  3380.90  407.834  447.896   25.761  429.639   26.857 18.25668 37.21479 
1 1 1   -7    2   39 o  405.469   15.320  2985.13  206.638  2969.41  357.595  2993.01  253.189  402.890   25.112  408.047   17.556 -5.156342 30.64017 
1 1 1   -7    2   41 o  388.552   15.081  2741.58  195.305  2770.37  337.937  2727.15  239.320  388.174   24.631  388.930   17.410 -0.7558594 30.16284 
1 1 1   -7    2   43 o  450.417   16.090  3723.69  241.565  3781.26  417.894  3694.79  296.036  449.950   26.277  450.884   18.576 -0.9344177 32.18042 
1 1 1   -7    2   45 o   81.268   14.280  120.979   39.406  147.877   67.069  106.799   48.697   87.605   21.759   74.931   18.499 12.67464 28.55969 
1 1 1   -7    3    2 o  483.809   13.479  4153.61  230.471  4089.54  325.927  4217.69  325.943  480.062   19.209  487.557   18.915 -7.494507 26.95818 
1 1 1   -7    3    4 o  518.086   16.821  4771.55  290.354  4780.76  502.978  4766.94  355.584  517.909   27.477  518.262   19.412 -0.3527222 33.64274 
1 1 1   -7    3    6 o  286.590   13.624  1434.70  131.017  1530.33  227.033  1386.95  160.425  293.459   21.889  279.722   16.227 13.73740 27.24732 
1 1 1   -7    3    8 o  1073.80   25.954 20478.87  932.479 21323.08  1615.24 20056.88  1142.00  1087.76   42.013  1059.84   30.486 27.91968 51.90879 
1 1 1   -7    3   10 o  637.838   30.620  7255.52  690.289   0.0000   0.0000  7255.52  690.289  ?   ?   637.838   30.620      ?      ? 
1 1 1   -7    3   12 o  1399.28   38.247 35435.21  1888.09 37860.54  2670.27 33010.27  2670.06  1448.31   52.164  1350.24   55.949 98.06873 76.49404 
1 1 1   -7    3   14 o  1589.04   42.766 45683.21  2399.22 48110.67  3393.12 43256.05  3392.90  1632.26   58.815  1545.82   62.100 86.43506 85.53171 
1 1 1   -7    3   16 o  521.028   27.591  4818.31  508.098   0.0000   0.0000  4818.31  508.098  ?   ?   521.028   27.591      ?      ? 
1 1 1   -7    3   18 o  1281.13   50.201 29416.38  2273.15 29416.38  2273.15   0.0000   0.0000  1281.13   50.201  ?   ?       ?      ? 
1 1 1   -7    3   20 o  781.381   24.073 10882.68  663.270 11742.61  938.160 10023.31  937.852  812.507   32.669  750.255   35.368 62.25214 48.14661 
1 1 1   -7    3   22 o  617.088   21.411  6777.59  466.535  6436.88  659.882  7118.09  659.678  601.471   31.041  632.705   29.499 -31.23413 42.82203 
1 1 1   -7    3   24 o  746.149   23.840  9937.01  628.640  9774.96  889.184 10098.94  888.878  740.005   33.997  752.292   33.430 -12.28760 47.67952 
1 1 1   -7    3   26 o  1305.68   37.294 31119.62  1717.40 28855.43  2428.91 33383.28  2428.62  1256.62   54.687  1354.74   50.721 -98.11975 74.58743 
1 1 1   -7    3   28 o  316.164   16.467  1782.79  183.967  1832.14  260.455  1733.66  259.884  320.567   22.988  311.760   23.585 8.807190 32.93459 
1 1 1   -7    3   30 o  814.686   25.837 12134.23  743.792 11848.17  1052.11 12420.04  1051.65  804.750   36.990  824.622   36.082 -19.87268 51.67383 
1 1 1   -7    3   32 o  476.170   18.687  4106.31  314.040  4362.51  444.430  3850.83  443.810  491.364   25.591  460.977   27.239 30.38684 37.37465 
1 1 1   -7    3   34 o  357.016   24.468  2309.05  308.744  2309.05  308.744   0.0000   0.0000  357.016   24.468  ?   ?       ?      ? 
1 1 1   -7    3   36 o  288.901   23.232  1513.41  237.224   0.0000   0.0000  1513.41  237.224  ?   ?   288.901   23.232      ?      ? 
1 1 1   -7    3   38 o   76.623   10.865   98.385   26.574  139.561   49.477   81.691   31.504   86.808   16.732   66.438   13.864 20.36966 21.72997 
1 1 1   -7    3   40 o  394.825   11.775  2803.09  164.252  2895.05  232.428  2711.36  232.146  401.402   16.383  388.247   16.917 13.15497 23.54984 
1 1 1   -7    3   42 o  278.023   10.689  1389.51  105.003  1349.75  148.651  1429.10  148.344  273.981   15.351  282.066   14.880 -8.085236 21.37881 
1 1 1   -7    3   44 o   43.772   9.7107   34.072   16.737   37.005   24.060   31.322   23.297   45.241   13.794   42.302   13.671 2.939461 19.42142 
1 1 1   -7    3   46 o   99.031   22.427  191.265   76.677   0.0000   0.0000  191.265   76.677  ?   ?    99.031   22.427      ?      ? 
1 1 1   -7    4    1 o  365.478   17.608  2383.42  226.579  2145.56  320.530  2620.98  320.332  347.075   26.129  383.880   23.609 -36.80554 35.21555 
1 1 1   -7    4    3 o  374.236   14.884  2478.02  185.890  2517.29  322.066  2458.40  227.635  376.140   24.226  372.331   17.298 3.808990 29.76731 
1 1 1   -7    4    5 o  682.446   22.536  8326.07  543.568  8385.41  768.737  8266.74  768.707  684.906   31.756  679.986   31.985 4.919739 45.07172 
1 1 1   -7    4    7 o  1080.99   31.149 21087.96  1189.91 20663.59  1682.77 21512.33  1682.78  1069.88   44.501  1092.09   43.596 -22.21423 62.29736 
1 1 1   -7    4    9 f  781.722   24.507 10922.89  677.017 10707.29  957.456 11138.48  957.438  773.919   35.003  789.525   34.310 -15.60645 49.01423 
1 1 1   -7    4   11 o  1043.42   30.167 19521.54  1111.83 18740.25  1572.37 20302.81  1572.36  1022.24   43.519  1064.61   41.787 -42.37000 60.33324 
1 1 1   -7    4   13 o  972.976   28.385 16909.30  975.498 17605.45  1379.64 16213.30  1379.48  993.217   39.301  952.736   40.966 40.48083 56.76948 
1 1 1   -7    4   15 o  1301.98   35.884 30408.62  1650.81 31272.49  2334.69 29544.89  2334.50  1320.76   50.013  1283.21   51.472 37.54041 71.76867 
1 1 1   -7    4   19 o  792.000   24.744 11169.68  692.281 10751.54  979.115 11587.67  978.951  777.065   35.650  806.935   34.324 -29.87048 49.48798 
1 1 1   -7    4   21 o  805.517   24.774 11565.95  705.036 11942.15  997.232 11189.99  996.911  818.725   34.462  792.308   35.599 26.41675 49.54722 
1 1 1   -7    4   23 o  745.419   33.549  9909.22  883.895   0.0000   0.0000  9909.22  883.895  ?   ?   745.419   33.549      ?      ? 
1 1 1   -7    4   25 o  432.273   17.561  3312.65  268.309   0.0000   0.0000  3312.65  268.309  ?   ?   432.273   17.561      ?      ? 
1 1 1   -7    4   27 o  117.528   14.960  266.827   55.381  208.309   96.622  295.457   67.585  105.963   25.995  129.093   14.812 -23.13054 29.91923 
1 1 1   -7    4   29 o  926.699   28.162 15722.03  922.399 15609.90  1304.74 15834.06  1304.19  923.270   39.983  930.128   39.672 -6.857849 56.32475 
1 1 1   -7    4   31 o  191.519   21.753  657.938  147.251   0.0000   0.0000  657.938  147.251  ?   ?   191.519   21.753      ?      ? 
1 1 1   -7    4   33 o   56.573   13.471   52.526   32.794   31.831   47.699   71.076   45.160   50.458   19.248   62.688   18.851 -12.22980 26.94160 
1 1 1   -7    4   35 o  288.194   23.206  1504.27  236.372   0.0000   0.0000  1504.27  236.372  ?   ?   288.194   23.206      ?      ? 
1 1 1   -7    4   37 o  342.411   24.226  2134.70  293.188   0.0000   0.0000  2134.70  293.188  ?   ?   342.411   24.226      ?      ? 
1 1 1   -7    4   39 o  396.003   18.114  2877.18  253.508  2845.47  359.557  2908.52  357.481  393.707   25.839  398.300   25.393 -4.592529 36.22816 
1 1 1   -7    4   41 o  136.418   14.158  362.369   60.579  402.311   74.957  287.148  102.865  149.850   14.153  122.985   24.525 26.86563 28.31528 
1 1 1   -7    4   43 o  437.714   16.465  3640.62  235.734  3831.76  289.045  3260.94  407.370  459.411   17.801  416.017   27.705 43.39355 32.93084 
1 1 1   -7    4   45 o  133.435   14.625  322.375   68.976   0.0000   0.0000  322.375   68.976  ?   ?   133.435   14.625      ?      ? 
1 1 1   -7    4   47 o   61.506   19.255   71.275   46.523   0.0000   0.0000   71.275   46.523  ?   ?    61.506   19.255      ?      ? 
1 1 1   -7    5    2 o  424.554   25.490  3207.39  382.491   0.0000   0.0000  3207.39  382.491  ?   ?   424.554   25.490      ?      ? 
1 1 1   -7    5    4 o  279.708   22.821  1390.14  225.610   0.0000   0.0000  1390.14  225.610  ?   ?   279.708   22.821      ?      ? 
1 1 1   -7    5    6 o  1234.02   49.089 27551.12  2141.07   0.0000   0.0000 27551.12  2141.07  ?   ?   1234.02   49.089      ?      ? 
1 1 1   -7    5    8 o  436.772   18.169  3391.98  280.357  3506.00  396.530  3278.02  396.438  444.156   25.259  429.389   26.122 14.76718 36.33708 
1 1 1   -7    5   10 o  1279.14   35.580 29454.65  1608.53 29754.46  2274.84 29154.86  2274.78  1285.77   50.057  1272.51   50.577 13.26160 71.16035 
1 1 1   -7    5   12 o  836.646   25.579 12475.63  756.066 12062.71  1069.24 12888.54  1069.23  822.683   36.773  850.610   35.565 -27.92749 51.15749 
1 1 1   -7    5   14 o  2430.14   92.216 109490.10  7920.60   0.0000   0.0000 109490.10  7920.60  ?   ?   2430.14   92.216      ?      ? 
1 1 1   -7    5   16 o  448.250   25.940  3564.23  410.966   0.0000   0.0000  3564.23  410.966  ?   ?   448.250   25.940      ?      ? 
1 1 1   -7    5   18 o  208.749   15.456  772.241  114.035  771.394  161.386  773.086  161.155  208.633   21.886  208.864   21.830 -0.2301788 30.91197 
1 1 1   -7    5   20 o  1225.84   34.375 26980.21  1488.99 26317.08  2105.83 27643.24  2105.68  1210.54   49.218  1241.15   48.001 -30.60986 68.74955 
1 1 1   -7    5   22 o  857.260   25.978 13125.95  787.050 13303.39  1113.21 12948.60  1112.90  863.113   36.491  851.406   36.983 11.70703 51.95519 
1 1 1   -7    5   24 o  488.732   16.372  4228.27  266.915  4289.08  462.683  4197.94  326.771  490.939   26.665  486.525   19.003 4.414490 32.74312 
1 1 1   -7    5   26 o  610.017   20.419  6612.70  440.257   0.0000   0.0000  6612.70  440.257  ?   ?   610.017   20.419      ?      ? 
1 1 1   -7    5   28 o   63.325   9.7053   56.440   21.323  129.551   39.828   27.062   25.247   85.470   13.184   41.180   14.246 44.28966 19.41052 
1 1 1   -7    5   30 o   92.087   14.557  157.322   46.344  185.982   66.692  130.560   64.447  100.359   19.504   83.815   21.615 16.54359 29.11375 
1 1 1   -7    5   32 o   44.825   15.783   31.432   31.059   0.0000   0.0000   31.432   31.059  ?   ?    44.825   15.783      ?      ? 
1 1 1   -7    5   34 o  163.223   15.119  479.984   87.179  501.995  125.021  459.152  121.628  166.891   21.195  159.555   21.568 7.335587 30.23886 
1 1 1   -7    5   36 o  807.869   24.536 12272.75  695.432 13907.18  984.215 10643.14  982.764  864.990   32.193  750.748   37.037 114.2418 49.07249 
1 1 1   -7    5   38 o   80.891   14.126  115.942   40.121  165.969   64.111   83.737   51.438   94.196   19.881   67.586   20.073 26.61073 28.25182 
1 1 1   -7    5   40 o  221.208   22.334  892.828  174.619   0.0000   0.0000  892.828  174.619  ?   ?   221.208   22.334      ?      ? 
1 1 1   -7    5   42 f  263.059   14.647  1283.26  127.583  1322.74  156.937  1206.31  219.094  270.725   16.401  255.394   24.272 15.33076 29.29362 
1 1 1   -7    5   44 o   94.686   14.998  161.376   48.402  231.990   79.036  119.000   61.227  110.483   21.008   78.888   21.411 31.59528 29.99604 
1 1 1   -7    5   46 o   15.865   6.6708   0.5342   6.3493   0.0000   0.0000   0.5342   6.3493  ?   ?    15.865   6.6708      ?      ? 
1 1 1   -7    5   48 o   80.859   21.730  132.013   63.435   0.0000   0.0000  132.013   63.435  ?   ?    80.859   21.730      ?      ? 
1 1 1   -7    6    1 o  724.063   32.980  9355.08  844.012  9355.08  844.012   0.0000   0.0000  724.063   32.980  ?   ?       ?      ? 
1 1 1   -7    6    9 o  659.070   31.125  7727.08  725.038   0.0000   0.0000  7727.08  725.038  ?   ?   659.070   31.125      ?      ? 
1 1 1   -7    6   11 o  177.181   21.495  556.351  134.612   0.0000   0.0000  556.351  134.612  ?   ?   177.181   21.495      ?      ? 
1 1 1   -7    6   13 o  1167.03   46.440 24365.67  1915.56   0.0000   0.0000 24365.67  1915.56  ?   ?   1167.03   46.440      ?      ? 
1 1 1   -7    6   15 o  598.282   20.824  6357.40  440.224  6523.33  622.656  6191.56  622.485  606.127   29.065  590.438   29.829 15.68872 41.64737 
1 1 1   -7    6   19 o  948.763   27.969 16072.88  937.901 16078.87  1326.48 16066.89  1326.31  948.941   39.550  948.585   39.559 0.3560181 55.93829 
1 1 1   -7    6   21 o  678.477   22.548  8204.29  540.200  7798.65  764.056  8609.71  763.859  661.565   32.676  695.388   31.079 -33.82336 45.09587 
1 1 1   -7    6   23 o  699.031   21.894  8741.27  538.310  9730.55  761.686  7754.08  760.885  739.026   29.161  659.036   32.666 79.99011 43.78784 
1 1 1   -7    6   25 o  853.883   22.613 13048.80  642.888 13052.30  1113.86 13047.05  787.251  852.151   36.982  855.616   26.032 -3.465088 45.22589 
1 1 1   -7    6   27 f  350.199   16.965  2178.79  209.984   0.0000   0.0000  2178.79  209.984  ?   ?   350.199   16.965      ?      ? 
1 1 1   -7    6   29 o  239.602   15.521  1021.21  131.442   0.0000   0.0000  1021.21  131.442  ?   ?   239.602   15.521      ?      ? 
1 1 1   -7    6   31 o  256.568   15.932  1173.68  144.479   0.0000   0.0000  1173.68  144.479  ?   ?   256.568   15.932      ?      ? 
1 1 1   -7    6   33 o  446.410   16.325  3622.24  241.440  3539.15  419.296  3663.45  295.312  440.785   26.914  452.036   18.484 -11.25082 32.64961 
1 1 1   -7    6   35 o  730.169   23.133  9930.23  594.695 10903.42  841.863  8960.90  840.190  767.767   31.024  692.571   34.324 75.19519 46.26632 
1 1 1   -7    6   37 o  135.309   21.333  331.417  102.024   0.0000   0.0000  331.417  102.024  ?   ?   135.309   21.333      ?      ? 
1 1 1   -7    6   39 o  246.480   16.013  1107.16  139.456  1141.98  200.117  1074.28  194.445  250.253   22.625  242.707   22.667 7.545120 32.02615 
1 1 1   -7    6   41 o  225.637   22.452  933.073  179.057   0.0000   0.0000  933.073  179.057  ?   ?   225.637   22.452      ?      ? 
1 1 1   -7    6   43 o  150.995   21.699  420.688  115.802   0.0000   0.0000  420.688  115.802  ?   ?   150.995   21.699      ?      ? 
1 1 1   -7    6   45 o   72.891   20.684  101.845   55.760   0.0000   0.0000  101.845   55.760  ?   ?    72.891   20.684      ?      ? 
1 1 1   -7    6   47 o  201.198   22.888  787.784  162.759   0.0000   0.0000  787.784  162.759  ?   ?   201.198   22.888      ?      ? 
1 1 1   -7    7    2 o  174.304   15.818  545.586   95.625  425.529  135.317  665.349  135.151  154.840   24.726  193.768   19.734 -38.92847 31.63540 
1 1 1   -7    7    4 o  201.706   21.805  721.389  155.452  721.389  155.452   0.0000   0.0000  201.706   21.805  ?   ?       ?      ? 
1 1 1   -7    7    6 o  630.792   30.382  7075.39  677.359  7075.39  677.359   0.0000   0.0000  630.792   30.382  ?   ?       ?      ? 
1 1 1   -7    7   16 o  705.502   32.359  8850.48  806.883   0.0000   0.0000  8850.48  806.883  ?   ?   705.502   32.359      ?      ? 
1 1 1   -7    7   18 o  439.215   18.234  3416.69  283.054   0.0000   0.0000  3416.69  283.054  ?   ?   439.215   18.234      ?      ? 
1 1 1   -7    7   20 o  508.254   19.459  4578.48  349.556   0.0000   0.0000  4578.48  349.556  ?   ?   508.254   19.459      ?      ? 
1 1 1   -7    7   22 o  851.330   25.827 12973.63  776.824 13399.98  1098.80 12547.58  1098.39  865.492   35.920  837.167   37.121 28.32471 51.65497 
1 1 1   -7    7   24 o  1005.07   24.671 17859.69  831.184 18920.29  1440.07 17329.85  1017.84  1024.95   39.752  985.184   29.231 39.76813 49.34240 
1 1 1   -7    7   26 o  718.797   19.642  9162.50  472.276  9533.82  818.479  8977.16  578.250  728.131   31.804  709.463   23.060 18.66882 39.28429 
1 1 1   -7    7   28 o  246.593   13.912  1086.89  113.915  1080.61  198.180  1089.98  139.211  245.640   22.827  247.546   15.911 -1.905823 27.82471 
1 1 1   -7    7   30 o  580.271   17.091  5932.44  333.450  6506.75  578.139  5646.15  408.184  599.301   27.294  561.242   20.577 38.05908 34.18159 
1 1 1   -7    7   32 o  463.756   16.241  3886.41  250.389  3871.68  434.257  3893.74  306.461  461.409   26.628  466.102   18.603 -4.693207 32.48249 
1 1 1   -7    7   34 o  542.591   19.961  5300.81  382.799   0.0000   0.0000  5300.81  382.799  ?   ?   542.591   19.961      ?      ? 
1 1 1   -7    7   36 o  438.951   26.298  3528.23  408.003   0.0000   0.0000  3528.23  408.003  ?   ?   438.951   26.298      ?      ? 
1 1 1   -7    7   38 o  148.346   16.848  409.587   85.757  377.055  124.870  438.628  117.980  141.270   25.965  155.421   21.477 -14.15109 33.69666 
1 1 1   -7    7   40 o  403.361   18.873  3022.09  268.572  2836.47  381.180  3205.09  378.471  390.361   27.628  416.360   25.718 -25.99893 37.74540 
1 1 1   -7    7   42 o  280.062   17.556  1465.28  172.991  1326.02  246.363  1600.73  242.966  266.082   26.196  294.041   23.379 -27.95908 35.11119 
1 1 1   -7    8    1 o  826.022   25.348 12152.29  740.034 12057.96  1046.64 12246.59  1046.50  822.791   35.990  829.253   35.705 -6.461670 50.69676 
1 1 1   -7    8    3 o  713.667   22.929  9068.07  577.412  9667.17  816.726  8469.38  816.440  737.409   31.336  689.925   33.481 47.48413 45.85808 
1 1 1   -7    8    5 o   80.003   21.173  117.450   60.805  117.450   60.805   0.0000   0.0000   80.003   21.173  ?   ?       ?      ? 
1 1 1   -7    8    7 o  359.442   17.129  2291.55  217.545  2226.23  307.731  2356.80  307.580  354.303   24.574  364.582   23.869 -10.27853 34.25832 
1 1 1   -7    8    9 o  270.224   15.941  1296.09  151.894  1400.12  214.958  1192.34  214.663  281.101   21.636  259.347   23.418 21.75336 31.88291 
1 1 1   -7    8   11 o  863.448   36.921 13275.82  1126.75 13275.82  1126.75   0.0000   0.0000  863.448   36.921  ?   ?       ?      ? 
1 1 1   -7    8   13 o  322.770   23.470  1846.85  267.750   0.0000   0.0000  1846.85  267.750  ?   ?   322.770   23.470      ?      ? 
1 1 1   -7    8   15 f  646.845   30.770  7436.51  703.479   0.0000   0.0000  7436.51  703.479  ?   ?   646.845   30.770      ?      ? 
1 1 1   -7    8   17 o  348.763   23.944  2157.93  295.148   0.0000   0.0000  2157.93  295.148  ?   ?   348.763   23.944      ?      ? 
1 1 1   -7    8   19 o  380.822   24.560  2574.99  330.582   0.0000   0.0000  2574.99  330.582  ?   ?   380.822   24.560      ?      ? 
1 1 1   -7    8   21 o  1071.04   29.138 20436.01  1103.01   0.0000   0.0000 20436.01  1103.01  ?   ?   1071.04   29.138      ?      ? 
1 1 1   -7    8   23 o  1049.10   43.090 19883.60  1597.76   0.0000   0.0000 19883.60  1597.76  ?   ?   1049.10   43.090      ?      ? 
1 1 1   -7    8   25 o  749.011   23.593 10007.48  624.580   0.0000   0.0000 10007.48  624.580  ?   ?   749.011   23.593      ?      ? 
1 1 1   -7    8   27 o  261.101   14.333  1225.13  123.993  1193.40  215.462  1240.84  151.614  258.085   23.620  264.117   16.241 -6.031403 28.66541 
1 1 1   -7    8   29 o  464.025   17.863  3900.94  290.854  4438.17  411.950  3366.94  410.712  496.668   23.467  431.381   26.937 65.28711 35.72571 
1 1 1   -7    8   31 o  439.906   14.958  3378.67  221.794  3818.95  384.831  3159.68  271.405  459.758   23.682  420.054   18.281 39.70383 29.91697 
1 1 1   -7    8   33 o  232.997   15.092  980.785  123.710  1100.84  176.617  865.148  173.334  247.262   20.209  218.732   22.421 28.52956 30.18467 
1 1 1   -7    8   35 o  381.757   14.466  2577.77  185.194  2799.43  322.164  2468.38  226.326  392.609   23.217  370.904   17.264 21.70435 28.93210 
1 1 1   -7    8   37 o  156.766   14.773  439.667   81.852   0.0000   0.0000  439.667   81.852  ?   ?   156.766   14.773      ?      ? 
1 1 1   -7    8   39 f  213.893   22.632  836.313  171.098  836.313  171.098   0.0000   0.0000  213.893   22.632  ?   ?       ?      ? 
1 1 1   -7    8   47 o  148.235   22.419  432.550  117.459   0.0000   0.0000  432.550  117.459  ?   ?   148.235   22.419      ?      ? 
1 1 1   -7    9    2 f  394.560   17.589  2762.18  245.105  2638.05  346.631  2886.31  346.631  385.659   25.430  403.461   24.308 -17.80283 35.17878 
1 1 1   -7    9    4 f  528.890   19.732  4976.16  367.607  4504.81  519.858  5447.57  519.892  503.673   29.202  554.106   26.546 -50.43289 39.46467 
1 1 1   -7    9    6 o  553.913   17.675  5456.01  325.640  5396.90  564.309  5485.52  398.725  551.327   28.959  556.499   20.272 -5.171997 35.34937 
1 1 1   -7    9    8 o  520.987   20.473  5306.73  332.829  3665.44  576.550  6127.06  407.604  453.788   35.947  588.185   19.607 -134.3978 40.94653 
1 1 1   -7    9   10 o  986.238   24.486 17444.05  800.958 16897.82  1387.61 17716.97  980.857  973.384   40.333  999.092   27.777 -25.70782 48.97268 
1 1 1   -7    9   12 o  357.350   15.720  2289.94  185.910  2185.92  322.318  2341.80  227.581  351.008   25.980  363.691   17.704 -12.68311 31.43937 
1 1 1   -7    9   14 o  370.613   17.310  2431.94  226.749   0.0000   0.0000  2431.94  226.749  ?   ?   370.613   17.310      ?      ? 
1 1 1   -7    9   16 o  181.670   15.714  586.230  100.699  547.268  143.036  624.518  141.793  175.652   23.040  187.688   21.375 -12.03633 31.42760 
1 1 1   -7    9   18 o  594.429   29.442  6287.64  618.560   0.0000   0.0000  6287.64  618.560  ?   ?   594.429   29.442      ?      ? 
1 1 1   -7    9   20 o  399.114   24.945  2831.97  351.878   0.0000   0.0000  2831.97  351.878  ?   ?   399.114   24.945      ?      ? 
1 1 1   -7    9   22 o  804.331   35.402 11607.95  1006.43   0.0000   0.0000 11607.95  1006.43  ?   ?   804.331   35.402      ?      ? 
1 1 1   -7    9   24 o  446.266   26.025  3559.83  410.500   0.0000   0.0000  3559.83  410.500  ?   ?   446.266   26.025      ?      ? 
1 1 1   -7    9   26 o  245.477   22.398  1078.03  194.333   0.0000   0.0000  1078.03  194.333  ?   ?   245.477   22.398      ?      ? 
1 1 1   -7    9   28 o  382.106   17.076  2604.58  230.617   0.0000   0.0000  2604.58  230.617  ?   ?   382.106   17.076      ?      ? 
1 1 1   -7    9   30 o  273.290   13.690  1305.82  125.853  1447.64  218.523  1235.44  153.948  283.585   21.802  262.994   16.562 20.59030 27.37908 
1 1 1   -7    9   32 o  236.094   14.681  994.714  122.506   0.0000   0.0000  994.714  122.506  ?   ?   236.094   14.681      ?      ? 
1 1 1   -7    9   34 o  439.921   18.232  3546.37  281.885  3971.97  399.089  3122.66  398.205  467.216   24.167  412.626   27.304 54.58981 36.46353 
1 1 1   -7    9   36 o  110.143   16.543  228.312   63.699  172.589   91.149  281.506   89.056   95.475   26.213  124.810   20.188 -29.33415 33.08562 
1 1 1   -7    9   40 o  371.877   18.139  2579.74  236.686  2240.30  334.799  2918.89  334.649  346.059   27.372  397.695   23.808 -51.63669 36.27757 
1 1 1   -7    9   42 o  231.255   16.059  993.845  131.261  991.428  185.661  996.260  185.602  230.957   22.744  231.552   22.678 -0.5950317 32.11866 
1 1 1   -7    9   44 o  211.447   22.674  846.387  169.450   0.0000   0.0000  846.387  169.450  ?   ?   211.447   22.674      ?      ? 
1 1 1   -7    9   46 o   88.855   22.294  159.301   69.898   0.0000   0.0000  159.301   69.898  ?   ?    88.855   22.294      ?      ? 
1 1 1   -7   10    1 o  717.685   20.714  9122.44  495.857  9218.93  859.037  9074.22  607.233  719.959   33.759  715.412   24.015 4.546692 41.42887 
1 1 1   -7   10    3 o  563.140   18.212  5679.68  339.918  5466.10  588.909  5786.39  416.259  554.747   30.035  571.533   20.606 -16.78540 36.42454 
1 1 1   -7   10    5 o  1088.14   26.043 21019.04  945.359 21285.41  1637.64 20885.92  1157.74  1091.94   42.432  1084.34   30.208 7.602661 52.08692 
1 1 1   -7   10    7 o  1265.60   34.675 30364.20  1409.87 24335.39  2442.06 33378.27  1726.70  1161.84   59.469  1369.36   35.676 -207.5253 69.34948 
1 1 1   -7   10    9 o  310.599   13.899  1803.83  139.146  1461.77  241.110  1974.64  170.383  287.130   23.758  334.068   14.430 -46.93771 27.79728 
1 1 1   -7   10   11 o  448.826   17.079  3739.15  248.502  3131.27  430.645  4042.61  304.271  419.846   29.021  477.806   18.017 -57.95996 34.15882 
1 1 1   -7   10   13 o  1659.27   44.419 49299.23  2604.98   0.0000   0.0000 49299.23  2604.98  ?   ?   1659.27   44.419      ?      ? 
1 1 1   -7   10   15 o  666.694   23.768  7976.99  553.996  6642.18  783.761  9309.81  783.177  610.087   36.347  723.300   30.635 -113.2124 47.53567 
1 1 1   -7   10   17 o  492.581   19.766  4780.40  302.200  3228.34  523.485  5556.17  370.098  425.263   34.828  559.899   18.702 -134.6360 39.53149 
1 1 1   -7   10   19 o  586.241   16.417  6017.77  322.703  6383.33  559.402  5835.44  395.065  598.930   26.426  573.553   19.488 25.37695 32.83473 
1 1 1   -7   10   21 o  380.920   13.720  2521.27  175.671  2753.24  304.825  2405.91  214.957  393.506   21.917  368.334   16.512 25.17236 27.44054 
1 1 1   -7   10   23 o  591.215   29.585  6271.88  618.217  6271.88  618.217   0.0000   0.0000  591.215   29.585  ?   ?       ?      ? 
1 1 1   -7   10   25 o  848.344   37.280 13158.64  1117.82   0.0000   0.0000 13158.64  1117.82  ?   ?   848.344   37.280      ?      ? 
1 1 1   -7   10   27 o  547.327   28.682  5435.04  554.843   0.0000   0.0000  5435.04  554.843  ?   ?   547.327   28.682      ?      ? 
1 1 1   -7   10   33 o  372.496   17.556  2528.51  231.047  2450.38  326.587  2606.80  326.913  366.561   25.208  378.431   24.441 -11.86993 35.11134 
1 1 1   -7   10   35 o  401.386   14.918  2990.57  196.332  2704.89  340.003  3133.48  240.475  384.704   25.006  418.067   16.274 -33.36209 29.83505 
1 1 1   -7   10   37 o  279.049   16.476  1424.03  162.467  1391.50  229.898  1456.47  229.628  275.750   23.589  282.348   23.010 -6.598328 32.95278 
1 1 1   -7   10   39 o  166.461   13.442  508.865   74.011  485.520  128.020  520.585   90.704  162.741   22.257  170.180   15.080 -7.439270 26.88426 
1 1 1   -7   10   41 o  319.361   16.966  1903.30  191.142  1773.47  270.231  2033.29  270.401  307.858   24.835  330.865   23.123 -23.00726 33.93285 
1 1 1   -7   10   43 o   47.702   16.580   37.936   34.217   0.0000   0.0000   37.936   34.217  ?   ?    47.702   16.580      ?      ? 
1 1 1   -7   10   45 o   71.668   20.730  100.908   55.497   0.0000   0.0000  100.908   55.497  ?   ?    71.668   20.730      ?      ? 
1 1 1   -7   11    2 o  348.442   17.380  2156.89  213.527  1986.99  302.187  2326.31  301.760  334.665   25.547  362.219   23.571 -27.55420 34.75974 
1 1 1   -7   11    4 o  946.811   25.727 16357.83  800.400 14868.42  1386.38 17102.47  980.270  912.216   43.000  981.406   28.260 -69.19037 51.45492 
1 1 1   -7   11    6 o  422.083   15.691  3184.69  219.658  3079.11  380.544  3237.44  268.994  416.567   25.846  427.599   17.799 -11.03210 31.38194 
1 1 1   -7   11    8 o  669.442   18.798  7927.40  419.930  8040.01  727.486  7871.13  514.256  672.509   30.606  666.375   21.834 6.134399 37.59608 
1 1 1   -7   11   10 o  189.727   17.533  700.481  101.781  517.428  176.397  791.840  124.618  167.975   30.848  211.479   16.672 -43.50397 35.06536 
1 1 1   -7   11   12 o  502.623   15.158  4313.78  257.586  5039.83  446.687  3952.06  315.288  532.953   23.713  472.293   18.888 60.65939 30.31609 
1 1 1   -7   11   14 o  1303.14   36.324 30640.21  1673.01 30448.17  2366.37 30832.13  2365.62  1298.96   51.543  1307.31   51.197 -8.344971 72.64849 
1 1 1   -7   11   16 o  766.709   19.876 10734.38  500.330  9706.72  866.743 11247.94  612.725  737.365   33.257  796.052   21.777 -58.68750 39.75300 
1 1 1   -7   11   18 o  395.838   14.959  2823.18  195.650  2664.41  339.135  2902.39  239.530  387.022   24.792  404.654   16.748 -17.63199 29.91898 
1 1 1   -7   11   20 o  129.661   11.653  286.995   50.910  334.940   88.956  263.643   62.083  137.354   18.324  121.968   14.401 15.38573 23.30573 
1 1 1   -7   11   22 o  389.012   16.069  2711.46  207.704  2666.82  359.853  2733.76  254.349  385.951   26.380  392.072   18.355 -6.120209 32.13701 
1 1 1   -7   11   24 o  738.042   23.351 10037.25  594.713  7605.06  840.680 12473.73  841.422  644.729   36.892  831.354   28.636 -186.6243 46.70150 
1 1 1   -7   11   26 o  383.441   17.418  2659.62  234.632  2326.70  331.546  2993.64  332.094  358.842   26.141  408.041   23.027 -49.19946 34.83664 
1 1 1   -7   11   30 o   93.420   21.834  163.668   70.796   0.0000   0.0000  163.668   70.796  ?   ?    93.420   21.834      ?      ? 
1 1 1   -7   11   32 o  252.233   22.675  1153.27  202.146   0.0000   0.0000  1153.27  202.146  ?   ?   252.233   22.675      ?      ? 
1 1 1   -7   11   34 o  289.881   14.726  1502.53  150.882   0.0000   0.0000  1502.53  150.882  ?   ?   289.881   14.726      ?      ? 
1 1 1   -7   11   36 o  262.325   14.042  1297.52  119.674  1104.88  206.805  1394.51  146.740  245.684   23.816  278.966   14.882 -33.28287 28.08340 
1 1 1   -7   11   38 o  339.998   15.177  2269.09  163.398  1707.64  282.536  2551.25  200.290  303.173   26.367  376.823   15.038 -73.64966 30.35421 
1 1 1   -7   11   40 o  203.034   13.685  767.621   91.560  712.149  158.049  795.641  112.328  196.092   22.804  209.976   15.136 -13.88400 27.36986 
1 1 1   -7   11   42 o   97.367   22.335  184.086   75.228   0.0000   0.0000  184.086   75.228  ?   ?    97.367   22.335      ?      ? 
1 1 1   -7   11   44 o  107.195   22.918  228.808   84.199   0.0000   0.0000  228.808   84.199  ?   ?   107.195   22.918      ?      ? 
1 1 1   -7   11   46 o  154.475   22.701  477.315  123.941   0.0000   0.0000  477.315  123.941  ?   ?   154.475   22.701      ?      ? 
1 1 1   -7   12    1 f  677.677   18.873  8052.09  428.677  8477.41  742.482  7839.43  525.024  690.443   30.425  664.911   22.341 25.53229 37.74668 
1 1 1   -7   12    3 o  777.369   21.199 10763.45  548.451 10686.52  949.924 10801.92  671.721  774.484   34.702  780.254   24.357 -5.770508 42.39726 
1 1 1   -7   12    5 o  799.494   21.151 11193.09  567.335 11907.61  982.741 10835.92  694.810  817.630   34.007  781.358   25.159 36.27240 42.30161 
1 1 1   -7   12    7 o  906.007   23.405 14471.10  709.774 15072.98  1229.44 14170.22  869.266  918.932   37.853  893.082   27.539 25.84961 46.81073 
1 1 1   -7   12    9 o  382.058   13.928  2502.70  179.749  2869.32  311.409  2319.52  220.120  402.226   21.905  361.889   17.209 40.33694 27.85649 
1 1 1   -7   12   11 o  572.114   18.505  5817.40  352.604  5811.19  610.821  5820.50  431.817  571.365   30.247  572.864   21.327 -1.499023 37.00961 
1 1 1   -7   12   13 o  260.585   22.511  1205.40  207.335   0.0000   0.0000  1205.40  207.335  ?   ?   260.585   22.511      ?      ? 
1 1 1   -7   12   15 o  1096.44   27.761 21549.11  1013.91 21635.02  1756.27 21506.17  1241.74  1095.31   45.367  1097.58   32.009 -2.271606 55.52209 
1 1 1   -7   12   17 o  462.814   16.836  4004.27  251.915  3300.83  436.178  4356.35  308.585  430.056   28.696  495.572   17.618 -65.51569 33.67238 
1 1 1   -7   12   19 o  722.644   22.875  9425.20  579.372  8040.07  818.947 10813.10  819.765  668.365   34.667  776.924   29.853 -108.5585 45.74983 
1 1 1   -7   12   21 o  139.154   16.305  353.278   77.802  395.828  109.147  309.325  110.931  148.999   20.726  129.309   25.178 19.69058 32.61070 
1 1 1   -7   12   23 o  431.198   17.882  3353.80  271.117  2962.20  382.921  3747.44  383.916  405.447   26.721  456.951   23.771 -51.50400 35.76422 
1 1 1   -7   12   25 o  226.475   15.447  923.204  123.067  818.109  173.396  1029.88  174.697  213.260   23.004  239.690   20.621 -26.42929 30.89387 
1 1 1   -7   12   27 o  167.873   15.538  508.464   91.953  467.697  130.185  549.050  129.897  161.014   22.876  174.732   21.033 -13.71825 31.07579 
1 1 1   -7   12   29 o  427.758   18.734  3354.44  280.676  2852.04  396.970  3856.67  396.902  394.532   28.468  460.983   24.360 -66.45093 37.46773 
1 1 1   -7   12   31 o  228.719   16.203  953.310  129.976  821.026  183.897  1085.36  183.732  212.368   24.500  245.071   21.211 -32.70345 32.40640 
1 1 1   -7   12   33 o  188.504   21.866  644.286  145.686   0.0000   0.0000  644.286  145.686  ?   ?   188.504   21.866      ?      ? 
1 1 1   -7   12   35 o  296.603   23.485  1608.52  246.202   0.0000   0.0000  1608.52  246.202  ?   ?   296.603   23.485      ?      ? 
1 1 1   -7   12   37 o  387.255   16.362  2701.98  223.950   0.0000   0.0000  2701.98  223.950  ?   ?   387.255   16.362      ?      ? 
1 1 1   -7   12   39 o  167.990   13.172  521.429   73.324  492.676  125.966  536.164   90.176  163.495   21.799  172.485   14.792 -8.990021 26.34339 
1 1 1   -7   12   41 o  276.497   23.570  1439.73  230.345   0.0000   0.0000  1439.73  230.345  ?   ?   276.497   23.570      ?      ? 
1 1 1   -7   12   43 o   70.011   20.485   95.044   53.914   0.0000   0.0000   95.044   53.914  ?   ?    70.011   20.485      ?      ? 
1 1 1   -7   12   45 o   36.496   13.834   18.572   24.540   0.0000   0.0000   18.572   24.540  ?   ?    36.496   13.834      ?      ? 
1 1 1   -7   13    2 o  392.087   14.505  2786.06  187.308  2554.62  324.061  2902.18  229.534  379.337   24.170  404.836   16.042 -25.49866 29.00923 
1 1 1   -7   13    4 o  635.589   19.223  7198.56  406.525  7127.01  703.989  7234.35  497.937  632.586   31.487  638.593   22.061 -6.006775 38.44615 
1 1 1   -7   13    6 o  1082.67   30.829 21033.12  1179.51 21485.64  1668.30 20580.84  1667.86  1094.49   43.126  1070.85   44.067 23.64038 61.65821 
1 1 1   -7   13    8 o  235.522   12.150  953.480   96.655  1080.38  167.129  889.710  118.477  246.875   19.154  224.168   14.953 22.70734 24.29963 
1 1 1   -7   13   10 o  358.361   15.301  2277.56  182.783  2284.63  316.448  2274.01  223.913  358.522   24.973  358.199   17.686 0.3221741 30.60135 
1 1 1   -7   13   12 o  828.461   36.034 12285.66  1055.14   0.0000   0.0000 12285.66  1055.14  ?   ?   828.461   36.034      ?      ? 
1 1 1   -7   13   14 o  477.306   14.748  3966.19  236.704  4302.70  409.839  3797.76  289.954  491.869   23.575  462.743   17.728 29.12610 29.49671 
1 1 1   -7   13   16 o  407.905   25.214  2966.31  363.513  2966.31  363.513   0.0000   0.0000  407.905   25.214  ?   ?       ?      ? 
1 1 1   -7   13   18 o  137.755   21.430  338.075  104.340  338.075  104.340   0.0000   0.0000  137.755   21.430  ?   ?       ?      ? 
1 1 1   -7   13   20 o  142.937   15.264  377.261   72.429  259.469  101.245  500.736  103.659  118.142   25.025  167.732   17.485 -49.58959 30.52832 
1 1 1   -7   13   22 o  545.880   17.588  5535.08  313.728  4880.59  543.063  5862.93  384.354  518.823   29.615  572.936   18.980 -54.11328 35.17526 
1 1 1   -7   13   24 o  477.871   19.084  4139.04  322.330  4148.13  455.979  4129.96  455.709  478.405   26.967  477.336   27.011 1.068512 38.16816 
1 1 1   -7   13   26 o  131.255   12.519  297.740   55.695  345.496   95.877  273.418   68.423  138.742   19.552  123.767   15.641 14.97458 25.03848 
1 1 1   -7   13   28 o   81.793   14.765  122.526   41.281  133.232   70.450  116.928   50.944   84.421   22.990   79.165   18.534 5.256088 29.53035 
1 1 1   -7   13   30 o  278.440   13.672  1454.85  123.938  1232.35  213.271  1568.31  152.294  260.560   23.158  296.320   14.541 -35.75949 27.34496 
1 1 1   -7   13   32 o  340.896   14.122  2149.96  158.312  1948.87  272.996  2251.85  194.324  327.146   23.610  354.647   15.503 -27.50089 28.24474 
1 1 1   -7   13   34 o  488.513   19.491  4423.71  335.873  4116.63  474.939  4730.94  475.055  470.726   28.546  506.300   26.547 -35.57346 38.98245 
1 1 1   -7   13   36 o   70.140   20.259   91.605   53.036   0.0000   0.0000   91.605   53.036  ?   ?    70.140   20.259      ?      ? 
1 1 1   -7   13   38 o  269.886   23.243  1349.48  221.712   0.0000   0.0000  1349.48  221.712  ?   ?   269.886   23.243      ?      ? 
1 1 1   -7   13   40 o  276.113   15.641  1385.48  152.646   0.0000   0.0000  1385.48  152.646  ?   ?   276.113   15.641      ?      ? 
1 1 1   -7   13   42 o   91.079   22.237  164.165   70.960   0.0000   0.0000  164.165   70.960  ?   ?    91.079   22.237      ?      ? 
1 1 1   -7   13   44 o  102.439   23.111  215.129   81.685   0.0000   0.0000  215.129   81.685  ?   ?   102.439   23.111      ?      ? 
1 1 1   -7   14    1 o  341.972   13.854  2028.40  159.524  2223.18  276.014  1930.70  195.478  353.858   22.069  330.086   16.755 23.77213 27.70881 
1 1 1   -7   14    3 f  674.082   19.357  8097.18  434.435  8058.86  752.267  8116.36  532.142  672.072   31.669  676.093   22.269 -4.021301 38.71489 
1 1 1   -7   14    5 o  321.834   15.000  1826.07  161.423  1876.43  279.394  1800.84  197.772  324.922   24.329  318.746   17.555 6.175629 30.00098 
1 1 1   -7   14    7 o  445.012   15.606  3495.47  232.112  3581.74  401.838  3452.27  284.345  448.767   25.334  441.257   18.232 7.510498 31.21274 
1 1 1   -7   14    9 o  308.964   14.375  1663.70  149.350  1792.84  258.221  1598.78  183.079  317.621   23.002  300.306   17.249 17.31473 28.75060 
1 1 1   -7   14   11 o  223.348   22.499  886.899  177.606   0.0000   0.0000  886.899  177.606  ?   ?   223.348   22.499      ?      ? 
1 1 1   -7   14   13 o  534.967   19.376  5116.16  365.583  4729.01  516.327  5505.37  517.700  514.444   28.397  555.489   26.368 -41.04541 38.75118 
1 1 1   -7   14   15 o  187.412   14.632  632.432   94.470  465.132  131.944  808.402  135.320  161.517   23.113  213.307   17.949 -51.79039 29.26365 
1 1 1   -7   14   17 o  234.322   14.444  1029.32  109.501  844.182  188.962  1122.93  134.360  217.174   24.618  251.469   15.117 -34.29443 28.88862 
1 1 1   -7   14   19 o  280.660   15.025  1499.74  135.096  1172.96  233.319  1664.55  165.698  255.369   25.850  305.951   15.323 -50.58127 30.05031 
1 1 1   -7   14   21 o  562.190   18.181  5899.37  333.471  5158.70  577.160  6270.53  408.568  532.315   30.677  592.064   19.524 -59.74878 36.36278 
1 1 1   -7   14   23 o  250.961   13.417  1109.32  113.139  1187.41  195.504  1070.01  138.729  257.019   21.521  244.903   16.027 12.11659 26.83341 
1 1 1   -7   14   25 o  498.931   18.832  4540.29  330.851  4093.55  467.098  4990.09  468.694  473.537   27.908  524.326   25.291 -50.78970 37.66322 
1 1 1   -7   14   27 o  180.689   13.193  586.922   79.575  584.870  136.978  587.968   97.763  179.966   21.535  181.412   15.247 -1.446060 26.38614 
1 1 1   -7   14   29 o  172.197   11.885  541.078   68.331  501.233  115.270  562.666   84.846  166.788   19.554  177.606   13.516 -10.81841 23.77045 
1 1 1   -7   14   31 o  106.381   12.461  210.017   43.291  195.656   72.365  218.021   54.025  102.271   20.729  110.490   13.834 -8.219765 24.92172 
1 1 1   -7   14   33 o  218.532   13.761  888.594   99.019  792.172  169.407  938.631  122.036  208.248   23.016  228.816   15.090 -20.56729 27.52152 
1 1 1   -7   14   35 o  313.151   14.076  1840.45  144.286  1618.62  248.315  1953.53  177.286  296.605   23.687  329.696   15.214 -33.09021 28.15174 
1 1 1   -7   14   37 o   82.344   15.140  129.303   44.474  130.287   62.852  128.317   62.940   82.654   21.361   82.034   21.461 0.6192551 30.27958 
1 1 1   -7   14   39 o  252.276   23.137  1194.10  206.303   0.0000   0.0000  1194.10  206.303  ?   ?   252.276   23.137      ?      ? 
1 1 1   -7   14   41 o  102.066   22.710  205.947   79.815   0.0000   0.0000  205.947   79.815  ?   ?   102.066   22.710      ?      ? 
1 1 1   -7   14   43 o   95.142   22.785  185.103   75.607   0.0000   0.0000  185.103   75.607  ?   ?    95.142   22.785      ?      ? 
1 1 1   -7   15    2 o  798.034   24.835 11338.52  700.500   0.0000   0.0000 11338.52  700.500  ?   ?   798.034   24.835      ?      ? 
1 1 1   -7   15    4 o  710.850   20.016  8871.50  477.599  9479.48  827.057  8567.32  584.997  727.831   32.150  693.869   23.854 33.96143 40.03297 
1 1 1   -7   15    6 o  419.543   18.669  3149.41  275.337  3517.52  388.980  2779.76  389.791  444.423   24.763  394.663   27.944 49.76028 37.33742 
1 1 1   -7   15    8 o  167.715   14.404  502.283   84.271  404.164  117.654  605.653  120.761  150.732   22.084  184.699   18.499 -33.96672 28.80825 
1 1 1   -7   15   10 o  289.221   17.589  1519.88  174.747  1923.99  246.875  1114.10  247.385  328.838   21.241  249.604   28.042 79.23335 35.17823 
1 1 1   -7   15   12 o  208.834   15.878  779.862  116.666  695.921  165.139  863.503  164.842  197.480   23.659  220.188   21.181 -22.70747 31.75567 
1 1 1   -7   15   14 o  192.902   12.699  653.379   82.446  690.262  141.635  634.477  101.395  196.780   20.364  189.024   15.177 7.756332 25.39763 
1 1 1   -7   15   16 o  219.347   13.425  890.143   96.227  768.699  165.761  951.872  118.179  207.221   22.632  231.473   14.445 -24.25131 26.84916 
1 1 1   -7   15   18 o  417.737   16.439  3175.86  227.072  3011.97  392.900  3258.06  278.248  408.289   27.227  427.185   18.429 -18.89624 32.87716 
1 1 1   -7   15   20 o  584.900   17.911  6342.60  343.527  5717.42  594.473  6656.03  420.922  560.109   30.029  609.691   19.533 -49.58240 35.82287 
1 1 1   -7   15   22 o  320.198   17.066  1862.70  191.566  1595.10  270.944  2130.20  270.888  296.556   25.850  343.840   22.290 -47.28375 34.13284 
1 1 1   -7   15   24 o  354.229   14.576  2287.66  170.890  2174.19  295.262  2344.82  209.555  346.335   24.121  362.122   16.373 -15.78665 29.15268 
1 1 1   -7   15   26 o  275.473   14.837  1382.91  141.435  1054.91  198.175  1723.41  201.917  241.195   23.247  309.750   18.443 -68.55515 29.67430 
1 1 1   -7   15   28 o  404.566   15.815  2938.97  214.148  3058.77  370.255  2878.75  262.510  409.104   25.606  400.029   18.567 9.075195 31.62922 
1 1 1   -7   15   30 f   52.388   12.501   44.457   27.434   58.350   41.948   34.074   36.265   57.446   18.322   47.330   17.013 10.11628 25.00233 
1 1 1   -7   15   32 o  321.798   14.174  1916.86  150.731  1759.16  258.310  1998.27  185.608  309.991   23.576  333.606   15.741 -23.61588 28.34824 
1 1 1   -7   15   34 o  166.074   13.154  511.500   72.414  464.237  122.962  536.594   89.599  159.274   21.843  172.874   14.664 -13.59959 26.30848 
1 1 1   -7   15   36 o  148.144   15.294  404.494   80.025  387.763  113.129  421.252  113.215  144.948   22.082  151.339   21.166 -6.391144 30.58769 
1 1 1   -7   15   38 o   68.235   14.115   84.438   35.462  106.231   57.787   71.274   44.913   74.538   21.024   61.933   18.839 12.60494 28.22967 
1 1 1   -7   15   40 o   36.514   13.836   17.910   24.542   0.0000   0.0000   17.910   24.542  ?   ?    36.514   13.836      ?      ? 
1 1 1   -7   15   42 o  185.342   22.928  680.278  150.194   0.0000   0.0000  680.278  150.194  ?   ?   185.342   22.928      ?      ? 
1 1 1   -7   16    1 o  739.833   33.661  9857.02  880.193  9857.02  880.193   0.0000   0.0000  739.833   33.661  ?   ?       ?      ? 
1 1 1   -7   16    7 o  366.199   17.357  2382.92  224.656   0.0000   0.0000  2382.92  224.656  ?   ?   366.199   17.357      ?      ? 
1 1 1   -7   16    9 o  242.440   17.848  1045.42  152.936   0.0000   0.0000  1045.42  152.936  ?   ?   242.440   17.848      ?      ? 
1 1 1   -7   16   11 o  480.151   19.297  4153.42  326.249  3744.77  461.453  4561.83  461.317  456.077   28.627  504.225   25.885 -48.14752 38.59449 
1 1 1   -7   16   13 o  482.853   19.349  4218.99  327.953  3661.83  463.815  4776.06  463.778  450.208   29.148  515.498   25.454 -65.28946 38.69806 
1 1 1   -7   16   15 o   72.967   10.925  107.922   26.954   58.746   44.603  136.212   33.830   58.296   18.924   87.637   10.922 -29.34035 21.84940 
1 1 1   -7   16   17 o  829.693   22.317 12653.88  613.767 12328.95  1062.60 12816.56  751.875  816.789   36.808  842.596   25.247 -25.80646 44.63435 
1 1 1   -7   16   19 o  224.208   13.177  883.658   99.473  953.404  171.451  848.268  122.130  230.355   21.058  218.061   15.846 12.29378 26.35441 
1 1 1   -7   16   21 o  363.960   14.200  2419.20  170.729  2267.71  294.970  2495.52  209.363  354.107   23.568  373.813   15.846 -19.70618 28.39987 
1 1 1   -7   16   23 o  126.427   15.434  292.685   67.630  294.192   95.740  291.185   95.548  127.707   21.211  125.148   22.425 2.558937 30.86708 
1 1 1   -7   16   25 f  131.962   12.920  334.221   53.684  268.510   91.069  369.216   66.459  119.992   22.294  143.932   13.064 -23.94026 25.83950 
1 1 1   -7   16   27 o  335.815   14.704  2031.56  164.921  2060.75  284.653  2016.81  202.343  336.396   23.941  335.233   17.077 1.162415 29.40774 
1 1 1   -7   16   29 o  137.876   12.949  370.829   56.002  276.211   92.926  424.793   70.178  121.457   22.475  154.294   12.869 -32.83755 25.89813 
1 1 1   -7   16   31 o  349.537   17.353  2245.77  214.303  2312.57  303.053  2178.96  303.087  354.945   24.157  344.129   24.919 10.81631 34.70572 
1 1 1   -7   16   33 o  285.905   13.815  1556.00  128.886  1284.06  218.503  1701.11  159.610  264.078   23.410  307.733   14.675 -43.65488 27.62930 
1 1 1   -7   16   35 o   84.392   12.431  139.377   35.583  100.599   56.494  164.876   45.811   73.009   20.856   95.775   13.533 -22.76585 24.86160 
1 1 1   -7   16   37 o  369.521   15.398  2608.61  186.699  2369.43  321.687  2730.10  229.262  352.427   25.825  386.615   16.778 -34.18811 30.79663 
1 1 1   -7   17    2 o  309.545   13.386  1660.81  139.811  1864.23  241.824  1558.67  171.352  323.058   21.179  296.032   16.377 27.02557 26.77192 
1 1 1   -7   17    4 o  154.249   13.505  429.094   69.173  409.500  119.057  439.079   84.989  151.318   22.261  157.180   15.298 -5.862366 27.01087 
1 1 1   -7   17    6 o  404.100   17.921  2935.13  255.577  2752.75  361.470  3117.46  361.410  391.332   26.134  416.868   24.529 -25.53613 35.84219 
1 1 1   -7   17    8 o  511.573   19.670  4724.79  355.158  4442.25  502.296  5007.28  502.242  495.948   28.655  527.199   26.954 -31.25085 39.33984 
1 1 1   -7   17   10 o  574.307   20.731  5974.01  420.791  6023.23  595.112  5924.80  595.065  576.731   29.195  571.883   29.440 4.847778 41.46136 
1 1 1   -7   17   12 o  201.202   15.553  728.260  110.132  804.416  155.753  652.109  155.748  211.911   20.795  190.493   23.133 21.41727 31.10559 
1 1 1   -7   17   14 o  343.372   14.203  2124.52  162.132  2075.95  279.984  2149.02  198.867  339.585   23.327  347.159   16.207 -7.573944 28.40504 
1 1 1   -7   17   16 o  252.686   11.014  1138.59   98.365  1132.17  138.615  1145.10  139.610  251.970   15.565  253.402   15.588 -1.431793 22.02817 
1 1 1   -7   17   18 o  176.173   15.286  559.136   95.151  574.981  134.612  543.315  134.515  178.714   21.311  173.631   21.919 5.083084 30.57128 
1 1 1   -7   17   20 o  527.449   20.084  5097.01  374.028  4839.84  528.946  5354.21  528.964  513.654   29.135  541.244   27.651 -27.59070 40.16783 
1 1 1   -7   17   22 o  327.472   14.571  1935.44  159.029  1928.82  274.477  1938.79  195.115  325.945   23.825  329.000   16.779 -3.054871 29.14100 
1 1 1   -7   17   24 o  347.973   17.206  2205.61  211.506  2286.25  299.132  2124.98  299.098  354.529   23.872  341.418   24.786 13.11115 34.41258 
1 1 1   -7   17   26 o  283.936   23.206  1466.54  232.884  1466.54  232.884   0.0000   0.0000  283.936   23.206  ?   ?       ?      ? 
1 1 1   -7   17   28 o  299.984   14.288  1632.64  143.092  1622.33  245.858  1637.92  175.966  298.040   23.339  301.927   16.489 -3.887512 28.57675 
1 1 1   -7   17   30 o  357.734   17.492  2356.76  221.133  2405.28  312.689  2308.22  312.771  361.574   24.468  353.893   25.005 7.680786 34.98488 
1 1 1   -7   17   32 o  284.132   14.440  1483.88  136.924  1443.37  233.839  1505.02  168.909  279.588   23.663  288.677   16.555 -9.089081 28.87940 
1 1 1   -7   17   34 o  194.142   15.396  684.353  104.670  582.610  138.279  820.868  160.174  177.434   22.049  210.850   21.493 -33.41551 30.79172 
1 1 1   -7   17   36 o  196.189   15.111  714.163  104.061  607.391  141.785  838.832  153.207  179.928   22.295  212.452   20.403 -32.52406 30.22206 
1 1 1   -7   17   40 f  236.836   23.818  1124.23  199.378   0.0000   0.0000  1124.23  199.378  ?   ?   236.836   23.818      ?      ? 
1 1 1   -7   18    1 o  264.950   14.001  1249.43  123.957  1276.13  214.333  1236.01  151.947  266.545   22.751  263.354   16.324 3.190399 28.00144 
1 1 1   -7   18    3 o  152.828   12.199  431.733   61.068  374.000  104.829  461.389   75.132  144.518   20.523  161.138   13.192 -16.62036 24.39706 
1 1 1   -7   18    5 o  232.718   10.645  964.662   87.430  901.559  123.257  1028.56  124.036  225.003   15.499  240.433   14.596 -15.43024 21.29002 
1 1 1   -7   18    7 o  517.808   13.790  4797.78  252.377  4788.00  356.696  4807.58  357.133  517.278   19.510  518.339   19.494 -1.062073 27.57974 
1 1 1   -7   18    9 o  338.381   15.007  1959.27  172.360  2399.62  297.872  1737.62  211.333  365.161   23.079  311.601   19.189 53.55948 30.01457 
1 1 1   -7   18   11 o  279.999   14.035  1402.92  130.967  1398.18  160.415  1412.40  226.803  279.947   16.212  280.052   22.913 -0.1047363 28.06904 
1 1 1   -7   18   13 o  379.705   15.276  2613.08  192.346  2651.13  235.599  2537.01  333.084  385.090   17.310  374.320   25.176 10.76996 30.55273 
1 1 1   -7   18   15 o  428.640   18.318  3338.20  277.445  3424.44  392.402  3252.00  392.331  434.330   25.562  422.950   26.245 11.38019 36.63598 
1 1 1   -7   18   17 o  193.494   15.479  675.823  105.848  665.813  149.734  685.822  149.650  192.030   22.061  194.958   21.718 -2.927994 30.95739 
1 1 1   -7   18   19 o  152.439   13.815  411.924   71.082  438.950  121.488  397.857   87.651  155.811   22.060  149.067   16.636 6.744064 27.63018 
1 1 1   -7   18   21 o  524.521   20.924  4969.26  387.907   0.0000   0.0000  4969.26  387.907  ?   ?   524.521   20.924      ?      ? 
1 1 1   -7   18   23 o  611.516   17.851  6886.45  361.725  6665.87  625.455  6997.31  443.401  600.465   29.471  622.567   20.151 -22.10162 35.70104 
1 1 1   -7   18   25 o  423.090   16.143  3365.40  223.049  2949.19  385.034  3575.61  273.640  400.172   27.223  446.008   17.359 -45.83609 32.28628 
1 1 1   -7   18   27 o  306.843   15.995  1716.85  172.814  1525.68  240.218  1921.93  248.800  288.750   23.538  324.936   21.664 -36.18643 31.98961 
1 1 1   -7   18   29 o   91.706   12.106  172.535   36.402   88.343   56.510  232.253   47.592   69.341   21.140  114.071   11.804 -44.72994 24.21284 
1 1 1   -7   18   31 o  331.236   14.827  2021.61  167.765  1408.24  230.458  2713.08  244.693  275.853   23.637  386.618   17.907 -110.7648 29.65412 
1 1 1   -7   18   33 o  108.253   16.446  208.666   58.812  166.222   71.897  294.500  102.242   92.918   22.197  123.589   24.272 -30.67171 32.89116 
1 1 1   -7   18   35 o  193.140   15.760  702.521  107.503  671.918  151.932  733.205  152.133  188.659   22.785  197.620   21.781 -8.961166 31.52081 
1 1 1   -7   18   37 o  101.840   22.851  207.072   80.229   0.0000   0.0000  207.072   80.229  ?   ?   101.840   22.851      ?      ? 
1 1 1   -7   18   39 o  184.305   23.037  678.412  150.069   0.0000   0.0000  678.412  150.069  ?   ?   184.305   23.037      ?      ? 
1 1 1   -7   19    2 o  319.697   14.194  1799.55  152.570  1944.25  263.805  1726.82  187.020  328.499   22.721  310.895   17.020 17.60352 28.38870 
1 1 1   -7   19    4 o  150.231   10.816  402.943   57.334  427.437   80.790  378.092   81.378  154.883   14.758  145.580   15.816 9.302856 21.63189 
1 1 1   -7   19    6 o  236.348   11.188  996.722   93.459  990.256  131.931  1003.23  132.413  235.576   15.845  237.121   15.799 -1.545456 22.37611 
1 1 1   -7   19    8 o  142.290   15.689  365.395   78.736  375.926  108.900  353.860  113.972  144.547   21.316  140.033   23.027 4.514206 31.37869 
1 1 1   -7   19   10 o  155.208   10.538  429.656   57.799  431.153   81.148  428.116   82.347  155.495   14.765  154.921   15.039 0.5745544 21.07563 
1 1 1   -7   19   12 o  394.582   11.477  2786.69  159.652  2549.79  225.202  3026.04  226.366  377.520   16.878  411.645   15.559 -34.12558 22.95480 
1 1 1   -7   19   14 o  801.411   17.905 11682.58  507.095 11893.47  716.814 11471.31  717.466  808.874   25.073  793.948   25.568 14.92529 35.80995 
1 1 1   -7   19   16 o  224.966   11.223  906.054   89.139  948.053  125.447  863.223  126.684  230.313   15.411  219.618   16.320 10.69527 22.44653 
1 1 1   -7   19   18 f  354.608   15.111  2296.68  177.312  2343.46  217.170  2203.15  307.088  361.541   16.995  347.675   24.990 13.86615 30.22156 
1 1 1   -7   19   20 o  159.784   15.315  463.151   86.232  503.601  121.955  422.707  121.945  166.946   20.668  152.622   22.606 14.32365 30.63026 
1 1 1   -7   19   22 o  265.091   16.210  1278.01  151.870  1265.30  214.782  1290.72  214.772  263.734   23.042  266.448   22.806 -2.713806 32.41935 
1 1 1   -7   19   24 o  159.292   21.687  461.397  122.098   0.0000   0.0000  461.397  122.098  ?   ?   159.292   21.687      ?      ? 
1 1 1   -7   19   26 o  209.439   23.651  804.460  175.072   0.0000   0.0000  804.460  175.072  ?   ?   209.439   23.651      ?      ? 
1 1 1   -7   19   28 o   50.039   17.132   41.739   36.474   41.739   36.474   0.0000   0.0000   50.039   17.132  ?   ?       ?      ? 
1 1 1   -7   19   30 o  500.299   17.058  4770.29  280.008  4306.83  481.884  5006.54  344.052  476.414   28.618  524.184   18.570 -47.77039 34.11514 
1 1 1   -7   19   32 o  224.726   13.712  972.502  100.902  795.499  169.044  1070.47  125.764  206.171   23.198  243.281   14.626 -37.11061 27.42393 
1 1 1   -7   19   34 o  118.262   22.957  272.846   92.498   0.0000   0.0000  272.846   92.498  ?   ?   118.262   22.957      ?      ? 
1 1 1   -7   19   36 o  166.800   15.841  539.541   93.382  532.496  131.868  546.627  132.256  165.625   22.526  167.974   22.277 -2.349106 31.68123 
1 1 1   -7   19   38 o  192.188   23.239  743.440  157.855   0.0000   0.0000  743.440  157.855  ?   ?   192.188   23.239      ?      ? 
1 1 1   -7   20    1 o  241.822   11.614  1046.52   99.163  1099.51  140.042  993.228  140.435  248.043   15.974  235.600   16.865 12.44301 23.22889 
1 1 1   -7   20    3 o  436.985   12.777  3423.11  197.333  3440.02  278.834  3406.14  279.308  438.087   18.008  435.883   18.130 2.204376 25.55341 
1 1 1   -7   20    5 o  195.153   11.495  683.102   78.924  755.270  111.384  610.330  111.848  205.664   15.323  184.641   17.139 21.02281 22.98984 
1 1 1   -7   20    7 o  315.740   11.994  1785.51  133.759  1858.94  188.950  1711.74  189.378  322.339   16.585  309.140   17.332 13.19897 23.98884 
1 1 1   -7   20    9 o  355.136   15.079  2305.13  176.968  2363.49  216.759  2188.46  306.466  363.328   16.879  346.944   24.992 16.38379 30.15828 
1 1 1   -7   20   11 o  106.753   12.003  207.979   44.038  224.673   61.168  190.014   63.454  112.121   15.435  101.384   18.385 10.73637 24.00533 
1 1 1   -7   20   13 o   68.536   11.219   86.498   26.653   74.007   36.129  101.413   39.478   63.117   16.134   73.955   15.594 -10.83780 22.43840 
1 1 1   -7   20   15 o  197.783   11.501  703.364   79.980  779.295  112.581  625.992  113.645  208.760   15.258  186.805   17.212 21.95496 23.00153 
1 1 1   -7   20   17 o   93.927   10.064  159.080   32.202  126.959   43.967  196.249   47.296   82.924   15.573  104.931   12.753 -22.00685 20.12852 
1 1 1   -7   20   19 o  139.388   13.167  351.661   61.777  343.948  103.991  355.867   76.797  137.790   21.353  140.986   15.412 -3.196625 26.33368 
1 1 1   -7   20   21 o  232.624   15.177  982.021  124.162  857.021  172.273  1117.14  179.110  216.930   22.469  248.317   20.408 -31.38724 30.35312 
1 1 1   -7   20   23 o  183.571   21.884  614.186  141.988  614.186  141.988   0.0000   0.0000  183.571   21.884  ?   ?       ?      ? 
1 1 1   -7   20   25 o  239.586   15.798  1032.69  133.780  1032.69  133.780   0.0000   0.0000  239.586   15.798  ?   ?       ?      ? 
1 1 1   -7   20   29 o  199.803   15.635  722.318  110.413   0.0000   0.0000  722.318  110.413  ?   ?   199.803   15.635      ?      ? 
1 1 1   -7   20   31 o  307.476   25.399  1799.88  276.020   0.0000   0.0000  1799.88  276.020  ?   ?   307.476   25.399      ?      ? 
1 1 1   -7   20   33 o   90.830   15.289  157.938   47.898  191.058   75.127  135.255   62.173   98.576   22.108   83.084   21.125 15.49184 30.57804 
1 1 1   -7   20   35 o  156.257   13.736  470.387   72.509  446.961  119.340  484.096   91.293  151.303   22.316  161.212   16.022 -9.908325 27.47209 
1 1 1   -7   21    2 o  378.992   11.870  2574.30  158.887  2458.73  224.407  2690.48  224.994  370.349   17.144  387.636   16.422 -17.28778 23.74005 
1 1 1   -7   21    4 o   98.109   9.9849  171.710   34.618  167.953   48.480  175.619   49.449   97.013   14.139   99.205   14.103 -2.191681 19.96980 
1 1 1   -7   21    6 o  149.585   10.099  399.426   53.360  380.687   75.055  418.578   75.878  146.009   14.544  153.160   14.017 -7.150360 20.19884 
1 1 1   -7   21    8 f  209.803   13.877  817.530   95.197  864.423  116.625  723.905  164.791  219.927   15.004  199.679   23.350 20.24757 27.75448 
1 1 1   -7   21   10 o  278.327   11.422  1387.36  112.353  1396.37  158.220  1378.19  159.570  279.267   16.030  277.387   16.276 1.879852 22.84410 
1 1 1   -7   21   12 o  358.997   12.257  2313.41  155.528  2312.12  219.515  2314.71  220.388  358.906   17.305  359.088   17.365 -0.1814575 24.51496 
1 1 1   -7   21   14 o   99.873   13.513  183.181   44.860  182.536   74.710  183.544   56.100   98.501   22.013  101.245   15.677 -2.743668 27.02506 
1 1 1   -7   21   16 o  110.443   16.771  230.473   63.226  232.898   84.975  227.465   94.631  111.395   22.360  109.490   25.003 1.905075 33.54233 
1 1 1   -7   21   18 o  228.622   14.627  949.584  116.563  758.026  161.549  1157.61  168.352  204.016   22.404  253.228   18.810 -49.21191 29.25309 
1 1 1   -7   21   20 o  164.680   17.135  554.272   83.345  625.157  100.135  394.447  150.361  186.691   15.176  142.670   30.726 44.02084 34.26956 
1 1 1   -7   21   22 o  208.779   11.124  783.251   82.044  750.543  114.549  817.705  117.565  204.275   15.865  213.282   15.596 -9.006790 22.24715 
1 1 1   -7   21   24 o  135.864   10.400  330.604   49.710  288.835   68.292  377.677   72.498  126.683   15.252  145.046   14.142 -18.36294 20.79944 
1 1 1   -7   21   26 o  124.933   9.9459  272.290   42.923  203.610   55.993  370.162   66.842  106.268   14.908  143.598   13.170 -37.32951 19.89179 
1 1 1   -7   21   28 o  132.649   21.647  326.672  101.491  326.672  101.491   0.0000   0.0000  132.649   21.647  ?   ?       ?      ? 
1 1 1   -7   21   30 o   67.305   14.247   85.828   36.538   84.776   51.369   86.904   51.983   66.928   20.101   67.682   20.196 -0.7541962 28.49420 
1 1 1   -7   21   32 o  146.372   22.153  411.368  114.606   0.0000   0.0000  411.368  114.606  ?   ?   146.372   22.153      ?      ? 
1 1 1   -7   21   34 o   79.757   21.796  129.011   63.192   0.0000   0.0000  129.011   63.192  ?   ?    79.757   21.796      ?      ? 
1 1 1   -7   22    1 o  155.960   10.466  435.381   57.616  456.760   80.991  413.477   81.981  159.897   14.331  152.023   15.257 7.874008 20.93244 
1 1 1   -7   22    3 o  215.102   11.385  835.278   85.563  976.074  120.791  693.481  121.220  233.692   14.624  196.512   17.453 37.18056 22.76986 
1 1 1   -7   22    5 o  213.352   11.254  815.818   84.801  847.322  119.487  783.848  120.370  217.571   15.538  209.133   16.285 8.438644 22.50831 
1 1 1   -7   22    7 o   40.026   10.494   22.207   19.747   20.808   27.883   23.615   27.971   39.463   14.792   40.588   14.889 -1.124378 20.98795 
1 1 1   -7   22    9 o  163.433   13.668  488.269   74.351  461.073  126.803  502.518   91.785  159.334   22.517  167.533   15.501 -8.198853 27.33624 
1 1 1   -7   22   11 o  149.115   15.047  402.004   79.185  373.405  109.343  433.545  114.828  143.503   21.558  154.728   20.997 -11.22577 30.09360 
1 1 1   -7   22   13 o  209.816   16.874  808.904  124.313  888.615  173.003  723.811  178.748  221.042   22.144  198.590   25.466 22.45238 33.74741 
1 1 1   -7   22   15 o  135.172   15.106  347.047   62.836  361.230   74.997  313.636  115.107  141.982   14.945  128.363   26.257 13.61847 30.21179 
1 1 1   -7   22   17 o  130.738   11.324  308.873   52.025  334.141   72.031  281.317   75.221  136.501   14.930  124.974   17.029 11.52685 22.64745 
1 1 1   -7   22   19 o   65.844   10.888   78.943   24.816   64.086   32.664   99.228   38.167   58.676   15.514   73.013   15.281 -14.33691 21.77546 
1 1 1   -7   22   21 o  110.976   12.368  228.963   46.632  259.881   64.143  194.305   67.912  120.200   15.098  101.752   19.595 18.44727 24.73671 
1 1 1   -7   22   23 o  340.255   12.369  2101.20  148.741  2085.53  209.247  2117.21  211.475  338.987   17.464  341.523   17.519 -2.536621 24.73733 
1 1 1   -7   22   25 o  211.994   10.688  809.236   79.669  701.825  109.189  931.519  116.503  196.825   15.696  227.163   14.510 -30.33754 21.37541 
1 1 1   -7   22   27 o  137.253   11.038  338.495   53.204  301.786   70.673  386.514   80.830  128.794   15.525  145.711   15.695 -16.91684 22.07624 
1 1 1   -7   22   29 o  106.620   14.141  225.313   50.109  180.095   79.225  255.463   64.692   95.173   23.655  118.066   15.503 -22.89310 28.28214 
1 1 1   -7   22   31 o   28.738   8.0222   5.0781   13.119   18.548   17.812 -10.8895   19.394   33.900   11.951   23.577   10.705 10.32279 16.04444 
1 1 1   -7   22   33 o  111.691   16.482  257.524   62.969  240.415   88.945  274.716   89.159  107.376   24.036  116.006   22.558 -8.629616 32.96304 
1 1 1   -7   23    2 o  217.286   15.754  859.391  120.949  883.034  171.058  835.754  171.036  220.363   21.963  214.208   22.591 6.155655 31.50719 
1 1 1   -7   23    4 o  158.266   13.424  441.560   71.910  489.368  123.127  416.812   88.588  164.193   21.217  152.338   16.453 11.85533 26.84865 
1 1 1   -7   23    6 o  176.510   22.587  567.729  140.913   0.0000   0.0000  567.729  140.913  ?   ?   176.510   22.587      ?      ? 
1 1 1   -7   23    8 o  168.611   15.883  518.881   94.500  536.893  131.625  499.720  135.758  171.811   21.675  165.410   23.221 6.400635 31.76541 
1 1 1   -7   23   10 o  142.076   14.859  384.440   65.512  404.544   78.962  340.037  117.348  150.245   14.870  133.906   25.729 16.33948 29.71707 
1 1 1   -7   23   12 o  183.413   11.527  607.834   74.279  674.813  104.241  538.744  105.872  193.932   15.208  172.893   17.325 21.03926 23.05314 
1 1 1   -7   23   14 o  183.999   10.522  606.845   68.326  561.594   95.096  655.133   98.234  176.853   15.214  191.145   14.541 -14.29192 21.04473 
1 1 1   -7   23   16 o   53.068   11.170   51.810   21.884   55.048   26.713   45.204   38.157   54.395   13.856   51.740   17.524 2.654896 22.34035 
1 1 1   -7   23   18 o  384.415   12.021  2675.41  162.857  2434.41  229.286  2920.77  231.357  366.557   17.698  402.274   16.272 -35.71603 24.04132 
1 1 1   -7   23   20 f  236.128   10.603  1005.71   88.108  888.532  123.156  1128.56  126.104  221.804   15.710  250.453   14.246 -28.64909 21.20691 
1 1 1   -7   23   22 o   58.461   12.044   63.161   25.480   64.035   31.157   61.397   44.276   58.440   15.006   58.482   18.841 -0.4253006E-01 24.08706 
1 1 1   -7   23   24 o  268.546   10.822  1308.89  102.111  1128.57  141.751  1503.39  147.219  248.940   16.111  288.152   14.455 -39.21222 21.64491 
1 1 1   -7   23   26 o  158.990   11.224  461.163   62.883  442.479   85.093  483.642   93.338  155.593   15.473  162.388   16.262 -6.795258 22.44743 
1 1 1   -7   23   28 o   83.732   11.607  129.698   32.673  109.403   42.016  160.748   51.969   75.587   16.213   91.878   16.615 -16.29065 23.21490 
1 1 1   -7   23   30 o  153.689   13.497  457.063   70.309  431.976  114.655  472.183   89.009  148.429   21.855  158.949   15.844 -10.52049 26.99391 
1 1 1   -7   24    1 o   98.246   22.241  182.939   75.433  182.939   75.433   0.0000   0.0000   98.246   22.241  ?   ?       ?      ? 
1 1 1   -7   24    5 o  184.684   21.946  622.790  143.252  622.790  143.252   0.0000   0.0000  184.684   21.946  ?   ?       ?      ? 
1 1 1   -7   24    7 o  108.258   14.336  209.070   51.240  263.116   86.440  179.790   63.623  118.462   21.434   98.055   19.045 20.40775 28.67245 
1 1 1   -7   24    9 o  111.853   10.481  223.970   41.373  209.554   56.884  240.162   60.285  108.033   14.897  115.672   14.746 -7.639366 20.96101 
1 1 1   -7   24   11 o  102.212   11.531  191.801   40.485  203.781   55.669  178.353   58.984  106.513   14.787   97.910   17.696 8.603600 23.06121 
1 1 1   -7   24   13 o  224.893   11.309  912.048   89.882  914.904  126.254  909.113  127.989  225.288   15.856  224.497   16.130 0.7911377 22.61829 
1 1 1   -7   24   15 o  129.819   10.767  303.134   49.350  290.964   67.865  316.792   71.893  127.079   15.110  132.559   15.345 -5.480675 21.53491 
1 1 1   -7   24   17 o  239.680   11.213  1038.54   94.957  1002.98  132.929  1075.60  135.692  235.451   15.973  243.909   15.740 -8.457214 22.42547 
1 1 1   -7   24   19 o  159.729   10.690  460.678   60.259  426.788   83.430  497.640   87.129  153.536   15.374  165.922   14.857 -12.38640 21.38007 
1 1 1   -7   24   21 o   47.333   10.752   40.283   20.688   48.297   26.731   28.315   32.669   50.935   14.275   43.732   16.083 7.203217 21.50494 
1 1 1   -7   24   23 o  156.296   10.861  445.511   59.942  434.916   82.654  457.266   87.060  154.408   15.145  158.185   15.572 -3.776672 21.72206 
1 1 1   -7   24   25 o   36.635   8.8475   19.622   13.384   12.649   16.444   33.308   23.037   30.338   11.362   42.931   13.565 -12.59347 17.69502 
1 1 1   -7   24   27 o  189.275   10.538  657.793   69.774  538.945   94.579  799.716  103.353  170.179   15.724  208.372   14.033 -38.19258 21.07578 
1 1 1   -7   24   29 o  172.119   15.018  555.353   80.386  522.658   92.880  652.955  160.474  166.629   15.771  177.609   25.564 -10.98024 30.03678 
1 1 1   -7   25    2 o  105.897   9.8892  201.085   36.463  157.790   50.040  250.095   53.241   93.618   15.123  118.177   12.747 -24.55907 19.77833 
1 1 1   -7   25    4 o  112.736   12.108  236.878   46.105  280.270   64.027  190.147   66.446  124.856   14.509  100.616   19.387 24.24029 24.21530 
1 1 1   -7   25    6 o   95.252   13.621  174.575   42.336  187.046   51.922  149.839   73.128  101.999   14.402   88.504   23.123 13.49519 27.24139 
1 1 1   -7   25    8 o  147.634   13.443  407.242   65.044  426.888   79.687  368.019  112.593  154.011   14.639  141.257   22.552 12.75452 26.88652 
1 1 1   -7   25   10 o  204.614   15.778  772.844  114.094  784.126  161.357  761.563  161.350  206.174   22.143  203.054   22.482 3.119522 31.55548 
1 1 1   -7   25   12 o  210.185   15.852  817.854  117.742  835.099  166.522  800.613  166.503  212.505   22.171  207.864   22.663 4.640991 31.70445 
1 1 1   -7   25   14 o  138.250   13.193  369.557   58.386  301.757   96.420  408.812   73.366  125.849   22.503  150.651   13.779 -24.80169 26.38608 
1 1 1   -7   25   16 o  165.627   11.495  501.456   66.938  538.652   92.648  460.835   96.818  172.380   15.206  158.874   17.242 13.50578 22.98948 
1 1 1   -7   25   18 o  143.134   11.755  377.749   58.918  415.478   81.113  335.609   85.724  151.162   15.182  135.105   17.952 16.05721 23.51087 
1 1 1   -7   25   20 o  201.870   11.291  746.965   80.526  750.158  112.400  743.597  115.423  202.429   15.710  201.311   16.222 1.118179 22.58219 
1 1 1   -7   25   22 o   99.858   13.995  194.539   45.478  200.898   55.627  181.720   78.976  104.574   15.050   95.142   23.600 9.431999 27.99022 
1 1 1   -7   25   24 o   35.782   8.1010   17.622   11.991   6.2226   14.888   38.673   20.231   26.256   10.531   45.308   12.312 -19.05109 16.20194 
1 1 1   -7   25   26 o  141.051   10.279  363.347   50.521  289.458   67.004  460.704   76.912  124.387   15.241  157.715   13.798 -33.32820 20.55843 
1 1 1   -7   26    1 o   68.782   15.388   87.867   42.148   99.727   55.104   71.147   65.430   72.552   20.553   65.012   22.906 7.539124 30.77560 
1 1 1   -7   26    3 o  150.678   10.442  410.039   55.397  364.297   77.219  458.543   79.517  141.878   15.399  159.477   14.107 -17.59972 20.88389 
1 1 1   -7   26    5 o  129.799   13.799  315.309   57.626  319.425   70.564  307.068   99.850  132.911   15.021  126.687   23.153 6.224373 27.59848 
1 1 1   -7   26    7 o   14.562   4.4633  -1.4081   4.4026   2.2616   5.2045 -10.6402   8.2549   15.743   6.2559   13.381   6.3678 2.361777 8.926639 
1 1 1   -7   26    9 o   75.568   12.140  108.818   31.545  114.958   42.135  100.988   47.583   78.275   15.775   72.862   18.456 5.413284 24.27910 
1 1 1   -7   26   11 o  223.092   11.108  904.315   87.539  865.437  122.269  945.201  125.389  218.115   15.860  228.069   15.555 -9.954041 22.21504 
1 1 1   -7   26   13 o   81.025   13.454  126.972   36.359  130.865   44.520  119.174   63.007   83.521   15.656   78.529   21.884 4.992561 26.90780 
1 1 1   -7   26   15 o   79.528   15.249  123.100   43.962  118.330   62.270  127.840   62.074   78.028   21.759   81.027   21.369 -2.998352 30.49741 
1 1 1   -7   26   17 o  108.176   15.995  231.138   59.244  196.852   83.597  265.732   83.971   99.245   24.078  117.108   21.062 -17.86320 31.98942 
1 1 1   -7   26   19 o   98.352   13.090  197.934   42.120  137.872   67.640  235.975   53.830   83.031   22.492  113.674   13.398 -30.64238 26.17989 
1 1 1   -7   26   21 o   24.864   7.1635   4.4541   9.9338   2.8338   14.107   6.0477   13.991   24.171   10.037   25.557   10.224 -1.385950 14.32691 
1 1 1   -7   26   23 o   88.165   13.752  158.487   40.448  169.982   49.547  135.524   70.031   95.500   14.679   80.831   23.260 14.66880 27.50472 
1 1 1   -7   27    2 o  169.181   13.837  523.975   78.893  558.619  134.957  505.990   97.239  172.188   22.175  166.174   16.556 6.014053 27.67407 
1 1 1   -7   27    4 o   54.597   12.918   52.607   29.337   50.438   41.508   54.771   41.471   53.830   18.277   55.364   18.261 -1.534492 25.83620 
1 1 1   -7   27    6 o   64.682   12.678   79.538   29.480   77.906   47.830   80.537   37.436   64.284   19.416   65.080   16.308 -0.7953873 25.35606 
1 1 1   -7   27    8 o  131.510   9.7568  313.163   44.814  252.643   61.469  381.823   65.472  117.726   14.773  145.295   12.749 -27.56847 19.51359 
1 1 1   -7   27   10 o   89.723   11.942  152.111   36.828  165.232   50.431  137.119   53.908   95.062   15.010   84.383   18.578 10.67887 23.88366 
1 1 1   -7   27   12 o   83.734   11.989  134.004   34.646  151.042   47.212  114.122   51.002   90.819   14.708   76.649   18.936 14.17033 23.97748 
1 1 1   -7   27   14 o   57.955   10.869   62.632   22.562   51.995   29.731   77.075   34.644   52.491   15.170   63.420   15.570 -10.92913 21.73864 
1 1 1   -7   27   16 o  171.512   10.370  541.644   62.694  489.735   86.518  599.039   90.975  162.688   15.046  180.336   14.273 -17.64742 20.73921 
1 1 1   -7   27   18 f  151.905   13.906  451.526   69.322  466.039   84.957  422.615  119.910  158.163   15.198  145.647   23.293 12.51547 27.81279 
1 1 1   -7   27   20 o   39.832   10.450   23.663   19.782   31.162   28.111   16.308   27.843   42.726   15.018   36.938   14.535 5.788292 20.90031 
1 1 1   -7   28    1 f   52.257   10.960   51.678   21.769   56.720   29.172   45.343   32.700   54.596   14.763   49.917   16.203 4.679020 21.92018 
1 1 1   -7   28    3 o  109.545   23.281  240.749   87.359   0.0000   0.0000  240.749   87.359  ?   ?   109.545   23.281      ?      ? 
1 1 1   -7   28    5 o  144.001   10.275  381.229   52.099  339.603   72.574  425.491   74.837  135.653   15.137  152.349   13.898 -16.69583 20.54944 
1 1 1   -7   28    7 o   62.950   11.789   77.760   27.585  100.622   37.529   50.892   40.685   72.601   15.117   53.298   18.095 19.30378 23.57846 
1 1 1   -7   28    9 o  113.283   13.473  241.428   49.926  229.368   61.156  265.526   86.448  111.137   15.569  115.430   21.992 -4.293007 26.94551 
1 1 1   -7   28   11 o   39.621   9.5267   26.919   15.763   26.008   20.532   28.227   24.599   38.540   12.855   40.703   14.063 -2.163589 19.05332 
1 1 1   -7   28   13 o   31.358   8.2869   12.591   12.289   7.3542   15.868   20.440   19.426   27.360   10.907   35.355   12.479 -7.994549 16.57373 
1 1 1   -7   28   15 o  148.608   13.853  418.632   70.350  474.495  117.852  387.707   87.686  154.672   21.558  142.544   17.404 12.12772 27.70669 
1 1 1   -7   29    2 f   67.432   12.347   92.723   29.519   73.203   48.813  103.977   37.064   61.356   19.785   73.509   14.778 -12.15364 24.69472 
1 1 1   -7   29    4 o   79.575   12.122  126.598   34.007  166.476   46.896   82.374   49.386   94.665   14.016   64.484   19.782 30.18119 24.24410 
1 1 1   -7   29    6 o   33.448   7.4956   14.479   10.924   0.9937   13.906   36.215   17.654   23.175   9.8152   43.721   11.331 -20.54506 14.99128 
1 1 1   -6    0    2 o  105.027   11.748  209.160   57.055  209.160   57.055  209.160   57.055  105.027   16.614  105.027   16.614 -0.000000 0.000000 
1 1 1   -6    0    4 o  295.939   11.627  1563.44  170.784  1563.44  170.784  1563.44  170.784  295.939   16.444  295.939   16.444 -0.000000 0.000000 
1 1 1   -6    0    6 o  747.578   16.786  9928.37  625.828  9928.37  625.828  9928.37  625.828  747.578   23.739  747.578   23.739 -0.000000 0.000000 
1 1 1   -6    0    8 f  837.357   18.084 12466.11  755.319 12466.11  755.319 12466.11  755.319  837.357   25.575  837.357   25.575 -0.000000 0.000000 
1 1 1   -6    0   10 o  432.495   12.874  3329.42  277.185  3329.42  277.185  3329.42  277.185  432.495   18.206  432.495   18.206 -0.000000 0.000000 
1 1 1   -6    0   12 f   26.144   9.6320   17.562   16.418   17.562   16.418   17.562   16.418   26.144   13.622   26.144   13.622 -0.000000 0.000000 
1 1 1   -6    0   14 o  291.489   11.606  1517.36  167.871  1517.36  167.871  1517.36  167.871  291.489   16.413  291.489   16.413 -0.000000 0.000000 
1 1 1   -6    0   16 o  237.368   16.257  1025.01  188.729  1025.01  188.729  1025.01  188.729  237.368   22.991  237.368   22.991 -0.000000 0.000000 
1 1 1   -6    0   20 o  459.309   18.752  3772.77  427.232  3772.77  427.232  3772.77  427.232  459.309   26.519  459.309   26.519 -0.000000 0.000000 
1 1 1   -6    0   24 o   96.302   18.802  197.467   78.273  197.467   78.273  197.467   78.273   96.302   26.590   96.302   26.590 -0.000000 0.000000 
1 1 1   -6    0   26 o  187.178   16.312  648.360  146.395  648.360  146.395  648.360  146.395  187.178   23.069  187.178   23.069 -0.000000 0.000000 
1 1 1   -6    0   28 o   30.035   11.952   21.191   27.263   21.191   27.263   21.191   27.263   30.035   16.902   30.035   16.902 -0.000000 0.000000 
1 1 1   -6    1    1 o  712.776   16.176  9011.85  407.427  9235.61  576.200  8788.10  576.178  721.657   22.590  703.894   23.159 17.76318 32.35248 
1 1 1   -6    1    3 o  569.221   14.348  5742.85  288.598  5873.91  408.150  5611.81  408.129  575.735   20.058  562.707   20.521 13.02783 28.69509 
1 1 1   -6    1    5 o  434.949   12.829  3351.81  197.192  3423.22  278.881  3280.40  278.863  439.595   17.949  430.304   18.336 9.290497 25.65873 
1 1 1   -6    1    7 o  630.571   15.145  7056.97  337.534  7117.23  477.349  6996.71  477.341  633.274   21.327  627.867   21.510 5.407654 30.29044 
1 1 1   -6    1    9 o  227.091   11.074  913.966   88.870  893.222  125.678  934.713  125.684  224.507   15.838  229.676   15.483 -5.169250 22.14873 
1 1 1   -6    1   11 o  345.175   11.849  2112.21  144.563  2118.52  204.448  2105.90  204.439  345.692   16.733  344.658   16.782 1.034149 23.69899 
1 1 1   -6    1   13 o  291.941   14.501  1549.47  139.123  1406.72  240.983  1620.83  170.385  281.384   24.231  302.497   15.936 -21.11285 29.00161 
1 1 1   -6    1   15 o  960.850   24.423 16454.73  781.418 16422.83  1353.51 16470.68  957.020  958.858   39.938  962.842   28.122 -3.984070 48.84551 
1 1 1   -6    1   17 o  554.367   16.939  5359.19  315.257  5733.81  546.118  5171.96  386.082  568.392   27.184  540.342   20.216 28.05048 33.87721 
1 1 1   -6    1   19 o  523.747   27.652  4868.50  511.877  4868.50  511.877   0.0000   0.0000  523.747   27.652  ?   ?       ?      ? 
1 1 1   -6    1   21 o  633.793   30.430  7138.88  681.659  7138.88  681.659   0.0000   0.0000  633.793   30.430  ?   ?       ?      ? 
1 1 1   -6    1   23 o  173.965   15.280  540.310   92.967  630.199  131.510  450.517  131.440  188.577   19.731  159.354   23.337 29.22244 30.56013 
1 1 1   -6    1   25 o  644.812   30.794  7411.09  701.800  7411.09  701.800   0.0000   0.0000  644.812   30.794  ?   ?       ?      ? 
1 1 1   -6    1   31 o  146.555   21.369  384.429  110.691  384.429  110.691   0.0000   0.0000  146.555   21.369  ?   ?       ?      ? 
1 1 1   -6    1   33 o  236.232   22.335  1004.02  186.483  1004.02  186.483   0.0000   0.0000  236.232   22.335  ?   ?       ?      ? 
1 1 1   -6    1   35 o  251.790   13.582  1100.37  115.514  1016.92  141.438  1267.53  200.179  238.411   16.785  265.169   21.359 -26.75859 27.16489 
1 1 1   -6    1   37 f  498.774   12.708  4468.06  223.974  4351.50  316.709  4584.67  316.785  492.162   18.207  505.386   17.735 -13.22476 25.41655 
1 1 1   -6    1   39 o  232.462   11.058  968.782   90.708  905.845  128.193  1031.89  128.369  224.794   16.135  240.131   15.125 -15.33688 22.11538 
1 1 1   -6    1   41 o  287.353   13.780  1501.81  131.727  1476.81  227.289  1514.46  161.642  284.328   22.617  290.378   15.750 -6.050537 27.56065 
1 1 1   -6    1   43 o  114.610   13.517  250.013   49.917  220.430   84.291  265.991   61.948  107.555   22.877  121.664   14.406 -14.10835 27.03488 
1 1 1   -6    1   45 o  185.730   13.463  639.107   83.155  614.155  142.434  652.008  102.421  181.723   22.176  189.738   15.273 -8.014496 26.92638 
1 1 1   -6    2    2 f  779.081   17.149 10772.75  472.199 10708.62  667.792 10836.89  667.789  776.752   24.324  781.410   24.179 -4.658203 34.29718 
1 1 1   -6    2    4 o  733.984   16.541  9562.36  429.032  9773.39  606.752  9351.34  606.733  742.119   23.132  725.850   23.650 16.26849 33.08205 
1 1 1   -6    2    6 o  451.867   13.032  3620.10  208.090  3702.62  294.296  3537.59  294.272  457.034   18.219  446.701   18.639 10.33307 26.06368 
1 1 1   -6    2    8 o  268.433   13.733  1271.12  123.146  1301.37  213.367  1256.00  150.798  270.641   22.306  266.226   16.026 4.415527 27.46580 
1 1 1   -6    2   10 o  379.145   14.505  2505.01  184.777  2704.44  320.137  2405.39  226.271  389.993   23.225  368.296   17.382 21.69650 29.00965 
1 1 1   -6    2   12 o  1192.85   29.120 25600.48  1155.48 25446.89  2001.44 25677.27  1415.15  1186.83   47.712  1198.87   33.397 -12.03857 58.23950 
1 1 1   -6    2   14 o  648.201   18.575  7390.15  402.970  7687.48  698.057  7241.54  493.503  657.383   30.044  639.019   21.850 18.36414 37.14904 
1 1 1   -6    2   16 o  1789.89   42.665 58800.34  2518.06 55066.73  4361.46 60667.07  3083.97  1739.28   70.949  1840.50   47.408 -101.2268 85.33015 
1 1 1   -6    2   20 o  1388.68   38.063 34654.14  1868.19 34737.00  2642.11 34571.29  2641.93  1390.36   53.765  1386.99   53.892 3.374634 76.12567 
1 1 1   -6    2   22 o  717.763   32.729  9170.20  830.307  9170.20  830.307   0.0000   0.0000  717.763   32.729  ?   ?       ?      ? 
1 1 1   -6    2   24 o  985.213   40.769 17383.46  1419.65 17383.46  1419.65   0.0000   0.0000  985.213   40.769  ?   ?       ?      ? 
1 1 1   -6    2   26 o  532.216   27.940  5046.04  525.578  5046.04  525.578   0.0000   0.0000  532.216   27.940  ?   ?       ?      ? 
1 1 1   -6    2   28 o  277.209   22.837  1368.78  223.752  1368.78  223.752   0.0000   0.0000  277.209   22.837  ?   ?       ?      ? 
1 1 1   -6    2   30 o  749.450   23.888 10198.51  632.419 10584.17  894.580  9813.20  894.171  763.998   33.129  734.902   34.425 29.09601 47.77644 
1 1 1   -6    2   32 o  204.821   17.358  774.368  120.879  536.922  171.106  1010.94  170.791  172.078   28.133  237.564   20.341 -65.48570 34.71635 
1 1 1   -6    2   34 o  149.262   11.064  399.334   57.975  452.362   82.022  346.393   81.955  159.305   14.567  139.219   16.655 20.08543 22.12723 
1 1 1   -6    2   36 o  880.793   18.075 14136.19  562.649 13934.38  795.702 14338.01  795.710  874.310   25.749  887.275   25.373 -12.96503 36.15007 
1 1 1   -6    2   38 o  114.127   10.790  233.500   43.397  213.764   61.515  253.056   61.233  109.253   15.930  119.000   14.558 -9.747200 21.58065 
1 1 1   -6    2   40 o  343.871   14.429  2166.95  164.233  2071.73  283.908  2214.84  201.339  336.551   23.868  351.191   16.221 -14.64020 28.85762 
1 1 1   -6    2   42 o  240.713   10.062  1039.95   85.458  1112.06  121.124  968.480  120.590  249.143   13.755  232.283   14.688 16.86014 20.12334 
1 1 1   -6    2   44 o   32.607   12.440   13.282   19.925   0.0000   0.0000   13.282   19.925  ?   ?    32.607   12.440      ?      ? 
1 1 1   -6    2   46 o  307.661   16.767  1733.31  182.320   0.0000   0.0000  1733.31  182.320  ?   ?   307.661   16.767      ?      ? 
1 1 1   -6    3    1 o  564.684   14.396  5658.06  287.170  5874.32  406.135  5441.84  406.104  575.519   19.966  553.850   20.746 21.66882 28.79269 
1 1 1   -6    3    3 o  285.220   14.603  1475.45  137.062  1351.90  237.444  1537.19  167.849  275.853   24.354  294.588   16.121 -18.73450 29.20576 
1 1 1   -6    3    5 o  367.996   14.479  2376.16  178.456  2486.76  309.162  2320.89  218.538  374.117   23.381  361.876   17.086 12.24075 28.95862 
1 1 1   -6    3    7 f  966.912   28.538 16817.55  975.276 16813.79  1379.27 16821.31  1379.23  966.802   40.364  967.022   40.353 -0.2206421 57.07557 
1 1 1   -6    3    9 o  485.586   19.009  4202.24  326.180  4109.40  461.317  4295.04  461.259  480.177   27.182  490.994   26.580 -10.81699 38.01741 
1 1 1   -6    3   11 o  1236.71   34.572 27703.21  1509.06 29353.91  2134.21 26052.77  2134.05  1274.47   47.379  1198.95   50.360 75.51990 69.14390 
1 1 1   -6    3   13 f  909.074   38.387 14774.64  1233.41   0.0000   0.0000 14774.64  1233.41  ?   ?   909.074   38.387      ?      ? 
1 1 1   -6    3   15 o  696.287   22.648  8623.35  557.260  8826.03  788.157  8420.75  788.012  704.521   31.652  688.054   32.403 16.46722 45.29697 
1 1 1   -6    3   19 o  961.016   28.240 16469.38  959.166 16308.71  1356.55 16630.01  1356.38  956.286   40.136  965.747   39.737 -9.460632 56.47926 
1 1 1   -6    3   21 o  274.350   16.665  1347.20  159.352  1090.86  225.419  1603.27  225.295  247.928   25.724  300.772   21.193 -52.84338 33.33007 
1 1 1   -6    3   23 o  1344.44   52.603 32619.33  2499.62 32619.33  2499.62   0.0000   0.0000  1344.44   52.603  ?   ?       ?      ? 
1 1 1   -6    3   25 o  462.434   18.231  3808.20  297.358  4091.54  420.740  3525.42  420.317  479.751   24.813  445.117   26.717 34.63406 36.46179 
1 1 1   -6    3   27 o  710.254   22.999  9038.53  577.291  9200.24  816.607  8876.98  816.217  716.691   32.237  703.818   32.811 12.87262 45.99831 
1 1 1   -6    3   29 o  512.374   19.423  4710.42  351.700  4796.14  497.590  4624.85  497.167  517.100   27.226  507.648   27.709 9.452179 38.84607 
1 1 1   -6    3   31 o  264.746   16.394  1259.74  153.167  1182.10  216.844  1337.06  216.379  256.461   23.922  273.031   22.422 -16.56940 32.78795 
1 1 1   -6    3   33 o  434.082   18.665  3419.16  286.098  3253.20  404.810  3584.78  404.399  423.270   27.059  444.893   25.718 -21.62378 37.33095 
1 1 1   -6    3   35 o  297.976   14.904  1627.03  152.425  2076.22  216.367  1184.47  214.765  340.291   17.990  255.661   23.767 84.63023 29.80784 
1 1 1   -6    3   37 o  562.417   18.062  5971.65  330.996  6347.67  405.515  5221.05  572.935  593.717   19.324  531.117   30.521 62.60077 36.12412 
1 1 1   -6    3   39 o  302.591   14.708  1690.88  146.563  1756.84  179.711  1559.86  253.268  312.984   16.245  292.197   24.524 20.78711 29.41634 
1 1 1   -6    3   41 o  348.358   15.345  2231.11  177.146  2268.91  217.171  2155.95  306.226  354.749   17.321  341.968   25.336 12.78088 30.69054 
1 1 1   -6    3   43 o  159.110   12.839  475.548   66.974  413.537  114.543  507.761   82.557  150.068   21.595  168.152   13.891 -18.08411 25.67723 
1 1 1   -6    3   45 o   90.015   21.937  156.443   69.155   0.0000   0.0000  156.443   69.155  ?   ?    90.015   21.937      ?      ? 
1 1 1   -6    3   47 o  177.634   14.623  577.112   91.806   0.0000   0.0000  577.112   91.806  ?   ?   177.634   14.623      ?      ? 
1 1 1   -6    4    2 f  199.061   21.725  703.746  152.850   0.0000   0.0000  703.746  152.850  ?   ?   199.061   21.725      ?      ? 
1 1 1   -6    4    4 o  867.580   26.281 13503.40  805.551 13943.55  1139.28 13063.34  1139.17  881.932   36.549  853.228   37.775 28.70367 52.56190 
1 1 1   -6    4    6 o  580.878   20.618  6020.96  423.287  6065.08  598.640  5976.84  598.596  583.027   29.051  578.729   29.264 4.297852 41.23523 
1 1 1   -6    4    8 o  423.598   18.020  3195.27  269.698  3096.98  381.410  3293.56  381.411  417.033   25.876  430.163   25.087 -13.13025 36.04043 
1 1 1   -6    4   10 o  1064.25   30.719 20395.68  1155.18 19846.60  1633.66 20944.76  1633.67  1049.65   44.035  1078.85   42.843 -29.19434 61.43802 
1 1 1   -6    4   12 o  1174.02   33.153 24787.38  1375.68 24696.21  1945.53 24878.56  1945.49  1171.82   46.974  1176.22   46.797 -4.394897 66.30618 
1 1 1   -6    4   14 o  812.460   25.038 11758.30  718.967 11845.89  1016.82 11670.73  1016.73  815.510   35.277  809.411   35.540 6.098938 50.07552 
1 1 1   -6    4   16 o  915.282   38.471 14929.90  1244.55   0.0000   0.0000 14929.90  1244.55  ?   ?   915.282   38.471      ?      ? 
1 1 1   -6    4   18 o  897.014   26.743 14335.11  847.775 14584.20  1199.03 14086.09  1198.84  904.869   37.491  889.159   38.147 15.70978 53.48603 
1 1 1   -6    4   20 o  1338.06   37.018 32174.65  1750.42 31566.20  2475.57 32783.01  2475.37  1325.19   52.854  1350.92   51.843 -25.73108 74.03542 
1 1 1   -6    4   22 o  471.533   15.454  3864.18  244.936  4193.61  424.507  3699.77  299.890  486.074   24.709  456.991   18.567 29.08334 30.90754 
1 1 1   -6    4   24 o  540.902   16.133  5046.88  294.271  5680.15  510.033  4730.88  360.286  565.299   25.527  516.505   19.736 48.79492 32.26648 
1 1 1   -6    4   26 o  302.334   13.594  1584.50  138.255  1743.93  239.873  1505.19  169.183  313.282   21.663  291.385   16.427 21.89621 27.18748 
1 1 1   -6    4   28 f  822.297   36.141 12220.37  1050.38   0.0000   0.0000 12220.37  1050.38  ?   ?   822.297   36.141      ?      ? 
1 1 1   -6    4   30 o  277.957   22.890  1384.37  224.880   0.0000   0.0000  1384.37  224.880  ?   ?   277.957   22.890      ?      ? 
1 1 1   -6    4   32 o  399.258   17.660  2879.00  249.116  2971.83  352.592  2786.48  352.015  405.819   24.582  392.698   25.362 13.12030 35.32010 
1 1 1   -6    4   34 o  603.501   21.343  6686.56  455.204  6806.58  644.196  6566.87  643.317  609.104   29.923  597.898   30.442 11.20605 42.68639 
1 1 1   -6    4   36 f  752.469   24.162 10584.42  641.629 11225.73  907.887  9944.48  906.914  776.534   33.079  728.404   35.227 48.12976 48.32332 
1 1 1   -6    4   38 o  503.665   19.933  4682.51  353.839  5072.36  500.375  4292.56  500.432  525.569   26.937  481.762   29.390 43.80713 39.86647 
1 1 1   -6    4   40 o  350.400   15.337  2267.88  177.443  2334.85  217.557  2134.78  306.680  360.168   17.090  340.632   25.473 19.53522 30.67488 
1 1 1   -6    4   42 o  236.937   23.124  1032.34  193.647  1032.34  193.647   0.0000   0.0000  236.937   23.124  ?   ?       ?      ? 
1 1 1   -6    4   44 o  168.673   13.196  519.032   74.685  516.953   92.207  522.997  127.346  169.066   15.431  168.280   21.411 0.7857819 26.39180 
1 1 1   -6    4   46 o  166.260   22.084  521.443  129.775   0.0000   0.0000  521.443  129.775  ?   ?   166.260   22.084      ?      ? 
1 1 1   -6    5    1 o  491.047   19.090  4297.32  331.313  4251.08  468.593  4343.54  468.501  488.383   27.147  493.711   26.848 -5.328217 38.18074 
1 1 1   -6    5    3 o  224.770   15.575  897.907  123.721  914.821  175.041  881.021  174.895  226.897   21.827  222.644   22.225 4.253540 31.15086 
1 1 1   -6    5    5 o  471.124   26.513  3954.01  441.484   0.0000   0.0000  3954.01  441.484  ?   ?   471.124   26.513      ?      ? 
1 1 1   -6    5    7 o  231.747   15.590  954.734  127.569  1003.77  180.486  905.779  180.333  237.728   21.480  225.766   22.599 11.96252 31.17917 
1 1 1   -6    5    9 o  485.726   18.939  4197.98  325.096  4280.10  459.809  4115.91  459.702  490.507   26.522  480.944   27.043 9.563263 37.87846 
1 1 1   -6    5   11 o  937.667   27.746 15722.03  919.510 15879.37  1300.43 15564.70  1300.34  942.414   39.041  932.920   39.436 9.494019 55.49245 
1 1 1   -6    5   13 o  380.734   17.357  2571.51  233.559  2588.30  330.343  2554.74  330.262  381.981   24.468  379.487   24.623 2.493958 34.71300 
1 1 1   -6    5   15 o  1109.20   31.330 22020.75  1225.33 23759.19  1732.96 20282.62  1732.80  1153.54   42.505  1064.86   46.040 88.67834 62.66056 
1 1 1   -6    5   17 o  500.113   27.107  4438.29  479.145  4438.29  479.145   0.0000   0.0000  500.113   27.107  ?   ?       ?      ? 
1 1 1   -6    5   19 o  299.489   14.232  1581.76  142.272  1610.77  246.625  1567.29  174.175  301.421   23.150  297.558   16.561 3.862518 28.46370 
1 1 1   -6    5   23 o  844.872   25.543 12682.85  762.761   0.0000   0.0000 12682.85  762.761  ?   ?   844.872   25.543      ?      ? 
1 1 1   -6    5   25 o  1078.23   26.889 20887.50  964.603 20786.12  1670.99 20938.17  1181.31  1073.47   44.041  1083.00   30.861 -9.525024 53.77803 
1 1 1   -6    5   27 f  1173.78   28.851 24949.97  1127.39 25055.00  1952.98 24897.48  1380.66  1170.63   47.202  1176.93   33.191 -6.300781 57.70285 
1 1 1   -6    5   29 o  705.033   23.262  9011.01  579.656  8979.90  820.012  9042.08  819.503  703.779   32.966  706.286   32.828 -2.506653 46.52361 
1 1 1   -6    5   31 o  313.780   15.659  1783.19  171.139  2132.61  242.475  1436.33  241.581  345.162   19.876  282.397   24.204 62.76422 31.31875 
1 1 1   -6    5   33 o  398.236   25.245  2874.64  355.336   0.0000   0.0000  2874.64  355.336  ?   ?   398.236   25.245      ?      ? 
1 1 1   -6    5   35 o  341.994   15.845  2128.65  189.307  2506.58  268.790  1756.67  266.665  372.983   20.389  311.006   24.259 61.97717 31.68968 
1 1 1   -6    5   37 o   84.645   21.400  134.586   64.058   0.0000   0.0000  134.586   64.058  ?   ?    84.645   21.400      ?      ? 
1 1 1   -6    5   39 o  210.155   14.129  845.380   95.666  933.432  117.705  674.017  164.204  228.368   14.583  191.941   24.204 36.42686 28.25800 
1 1 1   -6    5   41 o   47.309   11.596   36.318   23.741   41.482   33.543   31.135   33.605   49.278   16.431   45.340   16.367 3.938660 23.19189 
1 1 1   -6    5   43 f  187.395   14.032  627.534   89.069  592.390  109.885  694.855  152.086  180.715   17.204  194.076   22.172 -13.36136 28.06343 
1 1 1   -6    5   45 o  215.740   22.608  873.198  172.391   0.0000   0.0000  873.198  172.391  ?   ?   215.740   22.608      ?      ? 
1 1 1   -6    5   47 o   28.066   11.149   7.7866   16.523   0.0000   0.0000   7.7866   16.523  ?   ?    28.066   11.149      ?      ? 
1 1 1   -6    6    2 o  288.222   22.958  1476.26  233.872   0.0000   0.0000  1476.26  233.872  ?   ?   288.222   22.958      ?      ? 
1 1 1   -6    6    4 o  107.373   22.159  212.282   81.304   0.0000   0.0000  212.282   81.304  ?   ?   107.373   22.159      ?      ? 
1 1 1   -6    6    6 o  335.621   16.730  2002.00  198.364  2071.14  280.632  1932.97  280.426  341.444   23.254  329.798   24.058 11.64621 33.45913 
1 1 1   -6    6    8 f  708.430   22.943  8949.76  574.349  9165.34  812.332  8734.27  812.173  717.038   32.053  699.823   32.835 17.21466 45.88638 
1 1 1   -6    6   10 o  1774.40   47.802 57440.25  2997.17 58860.22  4238.72 56020.39  4238.55  1797.04   66.736  1751.76   68.458 45.27917 95.60404 
1 1 1   -6    6   12 o  261.615   15.734  1216.03  144.949  1337.32  205.145  1095.11  204.833  274.712   21.128  248.518   23.320 26.19391 31.46753 
1 1 1   -6    6   14 o  425.817   17.956  3216.65  270.172  3304.69  382.175  3128.71  381.989  431.663   25.049  419.970   25.734 11.69217 35.91272 
1 1 1   -6    6   16 o  1212.87   47.926 26332.20  2054.51   0.0000   0.0000 26332.20  2054.51  ?   ?   1212.87   47.926      ?      ? 
1 1 1   -6    6   18 o  551.499   16.107  5193.37  300.410  6065.13  520.623  4758.23  367.820  584.728   25.191  518.269   20.080 66.45862 32.21483 
1 1 1   -6    6   20 o  942.283   27.272 15771.03  908.282   0.0000   0.0000 15771.03  908.282  ?   ?   942.283   27.272      ?      ? 
1 1 1   -6    6   22 o  485.315   26.785  4186.47  459.439   0.0000   0.0000  4186.47  459.439  ?   ?   485.315   26.785      ?      ? 
1 1 1   -6    6   24 o  980.774   25.247 17312.45  822.065 16934.66  1424.13 17501.23  1006.72  970.514   41.517  991.033   28.741 -20.51886 50.49480 
1 1 1   -6    6   26 o  404.487   15.068  2878.24  203.944  3008.54  353.776  2813.38  249.590  410.869   24.362  398.105   17.738 12.76407 30.13518 
1 1 1   -6    6   28 o  629.434   17.874  6993.37  377.205  7433.46  653.793  6773.79  461.819  642.773   28.778  616.095   21.208 26.67743 35.74868 
1 1 1   -6    6   30 o  430.734   25.845  3346.25  393.459   0.0000   0.0000  3346.25  393.459  ?   ?   430.734   25.845      ?      ? 
1 1 1   -6    6   32 o  499.691   19.181  4538.65  338.504  4740.65  479.123  4337.33  478.312  511.098   26.523  488.285   27.715 22.81277 38.36148 
1 1 1   -6    6   34 o  664.539   32.250  8172.20  757.471   0.0000   0.0000  8172.20  757.471  ?   ?   664.539   32.250      ?      ? 
1 1 1   -6    6   36 o  295.115   23.357  1581.86  243.630   0.0000   0.0000  1581.86  243.630  ?   ?   295.115   23.357      ?      ? 
1 1 1   -6    6   40 o  210.580   14.669  819.698  102.129  847.292  125.511  765.628  175.696  217.027   16.362  204.132   24.352 12.89531 29.33826 
1 1 1   -6    6   42 o  310.399   17.808  1796.37  194.671  1640.34  276.588  1949.53  274.043  296.233   26.417  324.565   23.889 -28.33182 35.61629 
1 1 1   -6    6   44 o  120.203   22.687  276.982   92.853   0.0000   0.0000  276.982   92.853  ?   ?   120.203   22.687      ?      ? 
1 1 1   -6    6   46 o  107.503   22.800  227.652   83.946   0.0000   0.0000  227.652   83.946  ?   ?   107.503   22.800      ?      ? 
1 1 1   -6    6   48 o  103.752   23.111  220.471   82.577   0.0000   0.0000  220.471   82.577  ?   ?   103.752   23.111      ?      ? 
1 1 1   -6    7    1 o  272.946   22.726  1322.35  219.237  1322.35  219.237   0.0000   0.0000  272.946   22.726  ?   ?       ?      ? 
1 1 1   -6    7    9 o  323.546   23.511  1856.61  268.863   0.0000   0.0000  1856.61  268.863  ?   ?   323.546   23.511      ?      ? 
1 1 1   -6    7   11 o  495.685   18.182  4350.60  318.540   0.0000   0.0000  4350.60  318.540  ?   ?   495.685   18.182      ?      ? 
1 1 1   -6    7   13 o  843.589   20.438 12173.79  583.071 14204.51  1010.26 11159.48  713.991  893.971   31.973  793.206   25.468 100.7642 40.87646 
1 1 1   -6    7   15 f  896.262   37.885 14310.54  1200.13   0.0000   0.0000 14310.54  1200.13  ?   ?   896.262   37.885      ?      ? 
1 1 1   -6    7   17 o  521.619   16.155  4672.25  284.460  5326.24  493.014  4345.88  348.280  547.926   25.458  495.311   19.894 52.61417 32.30906 
1 1 1   -6    7   19 o  771.968   19.531 10217.42  509.601 11833.13  883.010  9410.54  624.006  815.670   30.629  728.266   24.243 87.40387 39.06186 
1 1 1   -6    7   21 o  1161.08   30.884 24323.89  1256.03 28022.10  1776.68 20628.89  1775.91  1251.16   40.177  1071.01   46.915 180.1488 61.76703 
1 1 1   -6    7   23 o  859.521   36.968 13233.04  1123.05   0.0000   0.0000 13233.04  1123.05  ?   ?   859.521   36.968      ?      ? 
1 1 1   -6    7   25 o  620.651   21.349  6849.52  468.326   0.0000   0.0000  6849.52  468.326  ?   ?   620.651   21.349      ?      ? 
1 1 1   -6    7   27 o  358.212   16.968  2280.92  214.826   0.0000   0.0000  2280.92  214.826  ?   ?   358.212   16.968      ?      ? 
1 1 1   -6    7   29 o  456.042   18.380  3711.68  296.262   0.0000   0.0000  3711.68  296.262  ?   ?   456.042   18.380      ?      ? 
1 1 1   -6    7   31 o  282.915   13.681  1418.97  129.360  1480.04  224.708  1388.69  158.205  286.822   22.166  279.009   16.043 7.813049 27.36248 
1 1 1   -6    7   33 o  418.886   25.737  3191.07  381.037   0.0000   0.0000  3191.07  381.037  ?   ?   418.886   25.737      ?      ? 
1 1 1   -6    7   35 o  282.373   16.080  1445.39  160.373  1513.72  227.863  1378.31  225.755  289.123   22.298  275.623   23.174 13.50034 32.15972 
1 1 1   -6    7   37 o  145.326   21.407  382.548  109.957   0.0000   0.0000  382.548  109.957  ?   ?   145.326   21.407      ?      ? 
1 1 1   -6    7   39 o  243.198   15.948  1079.23  137.068  1099.76  194.634  1059.03  193.063  245.535   22.428  240.861   22.678 4.674271 31.89529 
1 1 1   -6    7   41 o  183.069   15.789  617.483  101.430  699.413  143.417  535.490  143.472  195.738   20.730  170.401   23.822 25.33670 31.57884 
1 1 1   -6    7   43 o  185.102   22.076  634.741  144.430   0.0000   0.0000  634.741  144.430  ?   ?   185.102   22.076      ?      ? 
1 1 1   -6    7   45 o  295.179   24.083  1663.46  251.252   0.0000   0.0000  1663.46  251.252  ?   ?   295.179   24.083      ?      ? 
1 1 1   -6    8    2 o  454.856   18.468  3673.53  296.858  3601.65  419.823  3745.41  419.818  450.385   26.373  459.328   25.859 -8.942413 36.93578 
1 1 1   -6    8    4 o  854.476   36.695 13018.84  1108.22 13018.84  1108.22   0.0000   0.0000  854.476   36.695  ?   ?       ?      ? 
1 1 1   -6    8    6 o  582.870   21.162  6045.66  435.148  5624.23  615.629  6466.44  615.155  562.428   30.969  603.312   28.848 -40.88379 42.32413 
1 1 1   -6    8    8 o  641.740   30.630  7318.76  694.740   0.0000   0.0000  7318.76  694.740  ?   ?   641.740   30.630      ?      ? 
1 1 1   -6    8   10 o  639.154   30.557  7258.17  690.291   0.0000   0.0000  7258.17  690.291  ?   ?   639.154   30.557      ?      ? 
1 1 1   -6    8   12 o  455.331   26.077  3677.86  419.669   0.0000   0.0000  3677.86  419.669  ?   ?   455.331   26.077      ?      ? 
1 1 1   -6    8   14 f  538.703   19.980  5140.12  380.424   0.0000   0.0000  5140.12  380.424  ?   ?   538.703   19.980      ?      ? 
1 1 1   -6    8   16 o  116.918   17.296  242.019   71.476   0.0000   0.0000  242.019   71.476  ?   ?   116.918   17.296      ?      ? 
1 1 1   -6    8   18 o  101.105   7.5129  161.945   25.341  247.111   45.990  124.814   30.367  118.200   11.008   84.010   10.227 34.19052 15.02587 
1 1 1   -6    8   20 o  180.506   8.8290  515.393   53.091  857.249   93.221  351.282   64.590  220.119   11.982  140.893   12.970 79.22623 17.65806 
1 1 1   -6    8   22 o  137.656   15.358  343.086   72.229  401.625  102.856  286.133  101.453  150.474   19.340  124.838   23.863 25.63596 30.71569 
1 1 1   -6    8   24 o  1267.92   26.369 27184.74  1135.79 35573.70  1967.85 22994.11  1390.84  1404.21   39.650  1131.63   34.774 272.5824 52.73820 
1 1 1   -6    8   26 o  529.837   16.540  4919.65  294.324  5316.42  510.252  4721.82  360.308  544.746   26.502  514.928   19.797 29.81732 33.07968 
1 1 1   -6    8   28 o  720.189   22.910  9301.92  583.165   0.0000   0.0000  9301.92  583.165  ?   ?   720.189   22.910      ?      ? 
1 1 1   -6    8   30 o  286.572   13.677  1432.41  131.924  1595.19  229.001  1351.56  161.398  297.942   21.746  275.202   16.593 22.74026 27.35376 
1 1 1   -6    8   32 o  532.430   19.406  5090.46  365.189   0.0000   0.0000  5090.46  365.189  ?   ?   532.430   19.406      ?      ? 
1 1 1   -6    8   34 o  273.025   13.733  1334.81  124.901  1361.71  217.128  1321.50  152.693  274.259   22.399  271.791   15.895 2.467529 27.46609 
1 1 1   -6    8   36 o  299.248   23.451  1629.04  248.036   0.0000   0.0000  1629.04  248.036  ?   ?   299.248   23.451      ?      ? 
1 1 1   -6    8   38 o  377.598   17.512  2618.28  233.285  2795.71  330.069  2441.19  329.760  390.873   23.892  364.323   25.609 26.55008 35.02341 
1 1 1   -6    8   40 o  180.205   15.553  594.645   98.927  560.740  139.943  628.513  139.866  174.883   22.640  185.527   21.330 -10.64403 31.10527 
1 1 1   -6    8   42 o  126.065   22.592  301.746   96.968  301.746   96.968   0.0000   0.0000  126.065   22.592  ?   ?       ?      ? 
1 1 1   -6    9    1 o  1306.41   33.799 31354.94  1448.87 28334.20  2509.60 32865.18  1774.47  1254.53   56.598  1358.30   36.962 -103.7710 67.59862 
1 1 1   -6    9    3 o  582.396   17.984  6005.39  349.231  6051.37  605.031  5982.42  427.668  583.703   29.327  581.090   20.823 2.613464 35.96747 
1 1 1   -6    9    5 o  1225.36   27.651 25950.66  1143.63 29504.22  1981.15 24174.74  1400.55  1285.03   43.620  1165.69   33.993 119.3339 55.30135 
1 1 1   -6    9    7 o  568.233   19.842  6079.00  362.155  4837.57  627.343  6699.50  443.522  521.485   34.036  614.981   20.405 -93.49677 39.68415 
1 1 1   -6    9    9 o  586.227   21.335  6117.41  440.639  5556.00  623.366  6678.06  622.949  559.149   31.542  613.305   28.738 -54.15607 42.67075 
1 1 1   -6    9   11 o  1057.69   31.280 20014.21  1166.97 18555.86  1650.61 21471.64  1650.09  1018.69   45.844  1096.69   42.570 -78.00024 62.56070 
1 1 1   -6    9   13 o  778.859   24.906 10807.32  684.730 10176.33  968.609 11437.64  968.099  755.948   36.252  801.770   34.163 -45.82141 49.81276 
1 1 1   -6    9   15 o  789.179   34.743 11090.89  969.088   0.0000   0.0000 11090.89  969.088  ?   ?   789.179   34.743      ?      ? 
1 1 1   -6    9   17 o  411.788   25.171  3010.16  366.351   0.0000   0.0000  3010.16  366.351  ?   ?   411.788   25.171      ?      ? 
1 1 1   -6    9   19 o  970.337   29.111 16755.14  998.403   0.0000   0.0000 16755.14  998.403  ?   ?   970.337   29.111      ?      ? 
1 1 1   -6    9   21 o  954.989   27.801 16241.95  938.393   0.0000   0.0000 16241.95  938.393  ?   ?   954.989   27.801      ?      ? 
1 1 1   -6    9   23 o  816.150   25.229 11985.53  726.422 12809.02  1027.43 11162.42  1027.20  844.690   34.414  787.611   36.900 57.07867 50.45706 
1 1 1   -6    9   25 o  731.637   18.622  9196.19  461.233 10943.46  799.306  8323.96  564.741  780.587   28.972  682.687   23.405 97.89941 37.24435 
1 1 1   -6    9   27 o  119.286   14.692  271.867   55.389  225.260   96.346  294.876   67.694  109.793   25.342  128.779   14.872 -18.98695 29.38375 
1 1 1   -6    9   29 o  330.658   17.533  1982.03  203.544  1725.95  288.032  2237.48  287.678  308.769   26.393  352.547   23.087 -43.77838 35.06563 
1 1 1   -6    9   31 o  587.883   20.967  6335.45  435.374  6590.88  615.938  6080.40  615.486  600.159   29.037  575.607   30.253 24.55164 41.93328 
1 1 1   -6    9   33 o  420.617   16.465  3374.01  223.079  2762.37  386.346  3679.92  273.229  388.057   28.168  453.177   17.058 -65.12054 32.93089 
1 1 1   -6    9   35 f  532.144   20.134  5223.19  378.022  4878.33  534.496  5568.31  534.710  513.806   29.432  550.482   27.482 -36.67609 40.26848 
1 1 1   -6    9   37 o  460.415   26.920  3910.49  438.067  3910.49  438.067   0.0000   0.0000  460.415   26.920  ?   ?       ?      ? 
1 1 1   -6    9   39 o  133.214   21.395  323.724  100.737  323.724  100.737   0.0000   0.0000  133.214   21.395  ?   ?       ?      ? 
1 1 1   -6    9   41 o  183.835   21.965  622.525  142.719  622.525  142.719   0.0000   0.0000  183.835   21.965  ?   ?       ?      ? 
1 1 1   -6    9   43 o  192.262   22.272  690.822  151.346   0.0000   0.0000  690.822  151.346  ?   ?   192.262   22.272      ?      ? 
1 1 1   -6    9   45 o  259.675   23.682  1305.10  217.354   0.0000   0.0000  1305.10  217.354  ?   ?   259.675   23.682      ?      ? 
1 1 1   -6    9   47 o  135.361   22.433  364.289  107.325   0.0000   0.0000  364.289  107.325  ?   ?   135.361   22.433      ?      ? 
1 1 1   -6   10    2 o  191.827   10.385  630.082   67.278  721.160  116.576  584.599   82.382  201.858   16.340  181.796   12.821 20.06229 20.76938 
1 1 1   -6   10    4 o  285.757   16.159  1523.66  149.121  1247.40  258.341  1661.70  182.615  265.116   27.570  306.397   16.863 -41.28162 32.31820 
1 1 1   -6   10    6 o  458.656   17.334  3829.86  260.987  3451.88  452.088  4018.80  319.627  440.920   29.010  476.392   18.983 -35.47159 34.66849 
1 1 1   -6   10    8 o  324.679   14.890  1901.69  159.486  1770.42  276.311  1967.28  195.303  315.969   24.742  333.389   16.574 -17.42026 29.78042 
1 1 1   -6   10   10 o  606.675   21.737  6557.23  464.238  5886.57  656.712  7227.16  656.351  575.414   32.291  637.936   29.110 -62.52228 43.47478 
1 1 1   -6   10   12 o  1100.61   28.142 21750.36  1028.13 21212.81  1780.95 22019.05  1259.13  1088.49   46.292  1112.74   32.015 -24.25867 56.28461 
1 1 1   -6   10   14 o  374.147   17.230  2483.75  227.840  2505.56  322.524  2462.03  321.906  375.791   24.283  372.503   24.450 3.288757 34.45935 
1 1 1   -6   10   16 o  695.519   23.717  8658.00  579.280  7538.79  819.416  9776.16  819.036  650.011   35.667  741.028   31.271 -91.01666 47.43441 
1 1 1   -6   10   18 o  668.177   22.677  7968.15  534.800  7488.89  756.564  8446.80  756.081  647.894   33.039  688.459   31.072 -40.56567 45.35438 
1 1 1   -6   10   20 o  663.808   31.332  7866.99  735.109   0.0000   0.0000  7866.99  735.109  ?   ?   663.808   31.332      ?      ? 
1 1 1   -6   10   22 o  320.675   23.504  1831.26  266.396   0.0000   0.0000  1831.26  266.396  ?   ?   320.675   23.504      ?      ? 
1 1 1   -6   10   24 o   99.878   21.939  184.833   75.328   0.0000   0.0000  184.833   75.328  ?   ?    99.878   21.939      ?      ? 
1 1 1   -6   10   26 o  295.313   17.172  1553.85  179.233   0.0000   0.0000  1553.85  179.233  ?   ?   295.313   17.172      ?      ? 
1 1 1   -6   10   28 o  372.249   17.051  2505.06  223.348  2773.99  316.067  2236.83  315.656  392.658   22.774  351.841   25.383 40.81665 34.10247 
1 1 1   -6   10   30 o  200.527   14.515  761.223   93.833  621.776  162.431  831.066  114.954  185.215   24.813  215.839   15.069 -30.62402 29.02987 
1 1 1   -6   10   32 o  242.988   15.043  1087.32  124.667  763.374  175.638  1416.23  176.980  204.998   24.241  280.978   17.821 -75.98070 30.08672 
1 1 1   -6   10   34 o  324.406   16.297  1918.47  185.620  1667.36  262.074  2171.23  262.939  302.448   24.516  346.363   21.478 -43.91541 32.59401 
1 1 1   -6   10   36 o   93.587   14.845  164.639   48.056  137.711   67.040  193.101   68.923   85.471   22.047  101.703   19.887 -16.23147 29.69075 
1 1 1   -6   10   38 o  145.328   14.060  417.474   62.690  313.345  108.193  470.105   76.918  128.557   24.709  162.100   13.425 -33.54308 28.12070 
1 1 1   -6   10   40 o  299.893   16.382  1662.99  173.305  1548.05  244.938  1778.22  245.242  289.044   23.976  310.742   22.329 -21.69843 32.76330 
1 1 1   -6   10   42 o  182.673   22.116  621.244  142.790   0.0000   0.0000  621.244  142.790  ?   ?   182.673   22.116      ?      ? 
1 1 1   -6   10   44 o  192.792   22.542  708.851  153.607   0.0000   0.0000  708.851  153.607  ?   ?   192.792   22.542      ?      ? 
1 1 1   -6   10   46 o   52.489   17.790   49.966   39.323   0.0000   0.0000   49.966   39.323  ?   ?    52.489   17.790      ?      ? 
1 1 1   -6   11    1 o  806.096   22.658 11568.94  607.946 11496.60  1052.99 11605.11  744.579  803.403   37.083  808.790   26.047 -5.387695 45.31622 
1 1 1   -6   11    3 o  919.846   23.655 15021.70  725.471 15130.37  1256.54 14967.37  888.521  921.368   38.585  918.325   27.375 3.043396 47.30976 
1 1 1   -6   11    5 o  339.296   14.396  2053.07  162.188  1998.85  280.897  2080.19  198.645  335.769   23.669  342.822   16.394 -7.052582 28.79243 
1 1 1   -6   11    7 o  1035.39   27.811 19629.03  944.793 17687.08  1636.40 20600.05  1157.14  994.053   46.576  1076.72   30.406 -82.66650 55.62239 
1 1 1   -6   11    9 o  1068.06   26.882 20490.29  952.539 19894.58  1649.85 20788.15  1166.61  1054.64   44.261  1081.47   30.521 -26.82654 53.76358 
1 1 1   -6   11   11 o  1356.44   31.919 32513.88  1451.11 34349.91  2513.49 31595.97  1777.20  1382.06   51.455  1330.82   37.783 51.24109 63.83741 
1 1 1   -6   11   13 o  752.395   33.713 10085.58  896.521   0.0000   0.0000 10085.58  896.521  ?   ?   752.395   33.713      ?      ? 
1 1 1   -6   11   15 o  229.440   12.585  936.651   96.094  920.770  166.115  944.638  117.805  227.872   20.625  231.007   14.428 -3.135010 25.17090 
1 1 1   -6   11   17 o  297.962   15.426  1705.92  145.493  1255.75  251.680  1931.87  178.306  265.660   26.804  330.264   15.275 -64.60413 30.85109 
1 1 1   -6   11   19 o  329.274   15.498  2003.58  166.198  1717.24  287.605  2147.14  203.642  310.520   26.205  348.027   16.555 -37.50641 30.99654 
1 1 1   -6   11   21 o  428.580   16.729  3294.40  238.048  3210.17  412.142  3336.56  291.608  423.816   27.514  433.343   19.039 -9.527161 33.45882 
1 1 1   -6   11   23 o  474.192   26.723  4033.27  447.870  4033.27  447.870   0.0000   0.0000  474.192   26.723  ?   ?       ?      ? 
1 1 1   -6   11   25 o   69.632   20.039   88.607   51.974   0.0000   0.0000   88.607   51.974  ?   ?    69.632   20.039      ?      ? 
1 1 1   -6   11   31 o  200.195   14.434  731.066   99.656  545.922  139.835  922.148  142.060  173.639   22.785  226.751   17.726 -53.11165 28.86795 
1 1 1   -6   11   33 o  222.072   14.496  939.550  103.667  759.663  179.032  1030.29  127.153  204.088   24.819  240.056   14.986 -35.96773 28.99298 
1 1 1   -6   11   35 o  138.370   13.514  362.591   59.278  313.711  101.916  387.582   72.872  129.476   23.119  147.265   14.001 -17.78847 27.02775 
1 1 1   -6   11   37 o  233.291   13.768  1009.53  105.594  919.220  182.320  1055.11  129.530  224.099   23.018  242.484   15.114 -18.38531 27.53667 
1 1 1   -6   11   39 o  295.199   14.354  1603.89  140.452  1555.82  242.856  1628.05  172.164  290.104   23.685  300.293   16.221 -10.18896 28.70718 
1 1 1   -6   11   41 o   87.453   16.244  142.989   48.361   0.0000   0.0000  142.989   48.361  ?   ?    87.453   16.244      ?      ? 
1 1 1   -6   11   43 o  127.930   22.992  318.813  100.137   0.0000   0.0000  318.813  100.137  ?   ?   127.930   22.992      ?      ? 
1 1 1   -6   11   45 o   92.036   22.530  171.856   72.699   0.0000   0.0000  171.856   72.699  ?   ?    92.036   22.530      ?      ? 
1 1 1   -6   12    2 f  386.631   15.716  2660.48  202.088  2618.77  349.857  2681.36  247.566  384.140   25.768  389.123   18.000 -4.982574 31.43256 
1 1 1   -6   12    4 o  495.243   17.551  4456.29  285.812  4056.59  494.931  4656.27  350.086  477.796   29.308  512.690   19.320 -34.89383 35.10260 
1 1 1   -6   12    6 o  1097.94   28.575 21903.83  1035.04 20464.40  1792.64 22623.66  1267.69  1068.19   47.482  1127.69   31.805 -59.50830 57.14986 
1 1 1   -6   12    8 o  399.135   16.348  2894.20  214.543  2632.68  371.472  3025.10  262.806  384.990   27.300  413.280   17.992 -28.28967 32.69506 
1 1 1   -6   12   10 o  346.338   14.796  2116.85  171.157  2156.00  296.326  2097.25  209.669  348.554   24.054  344.122   17.239 4.432190 29.59295 
1 1 1   -6   12   12 o  330.940   16.609  1939.70  194.278   0.0000   0.0000  1939.70  194.278  ?   ?   330.940   16.609      ?      ? 
1 1 1   -6   12   14 o  614.784   18.990  6929.87  382.248  6146.96  661.843  7321.73  468.237  587.117   31.894  642.451   20.621 -55.33380 37.97958 
1 1 1   -6   12   16 o  570.211   18.359  6075.57  338.590  5015.54  586.106  6606.54  414.809  530.134   31.280  610.288   19.231 -80.15460 36.71881 
1 1 1   -6   12   18 o  425.043   15.248  3192.51  216.574  3269.07  374.968  3154.19  265.301  428.451   24.761  421.634   17.803 6.816833 30.49673 
1 1 1   -6   12   20 o  461.597   16.391  3935.25  246.924  3424.01  427.394  4191.40  302.523  437.428   27.644  485.766   17.620 -48.33765 32.78209 
1 1 1   -6   12   22 o  419.264   17.744  3152.56  262.673  2986.65  370.901  3319.50  372.052  408.042   25.718  430.486   24.453 -22.44342 35.48706 
1 1 1   -6   12   24 o  194.261   14.153  686.448   94.034  485.728  131.846  894.253  134.152  164.530   22.673  223.992   16.945 -59.46172 28.30517 
1 1 1   -6   12   26 o   77.991   20.910  112.925   58.817  112.925   58.817   0.0000   0.0000   77.991   20.910  ?   ?       ?      ? 
1 1 1   -6   12   28 o   88.009   15.294  145.055   47.284  135.212   66.902  154.878   66.836   85.031   22.069   90.986   21.180 -5.954979 30.58797 
1 1 1   -6   12   30 o  310.722   23.607  1751.38  259.259   0.0000   0.0000  1751.38  259.259  ?   ?   310.722   23.607      ?      ? 
1 1 1   -6   12   32 o  408.528   25.603  3049.96  369.692   0.0000   0.0000  3049.96  369.692  ?   ?   408.528   25.603      ?      ? 
1 1 1   -6   12   34 o  160.039   12.960  469.451   68.591  437.176  118.008  485.917   84.292  155.243   21.507  164.835   14.468 -9.592896 25.92065 
1 1 1   -6   12   36 f  357.986   14.929  2417.43  174.081  2092.77  300.756  2580.99  213.475  337.015   25.249  378.957   15.938 -41.94202 29.85860 
1 1 1   -6   12   38 o  220.335   13.331  914.272   95.845  792.215  165.150  976.261  117.694  207.538   22.514  233.133   14.283 -25.59445 26.66290 
1 1 1   -6   12   40 o  171.061   15.103  542.156   90.976  489.885  128.515  594.662  128.804  162.404   22.389  179.717   20.278 -17.31223 30.20694 
1 1 1   -6   12   42 o  111.284   22.829  241.802   86.783   0.0000   0.0000  241.802   86.783  ?   ?   111.284   22.829      ?      ? 
1 1 1   -6   12   44 o  106.487   23.074  228.854   84.335   0.0000   0.0000  228.854   84.335  ?   ?   106.487   23.074      ?      ? 
1 1 1   -6   13    1 o  453.813   15.158  3649.92  229.309  3657.40  396.966  3646.18  280.919  453.909   24.744  453.718   17.518 0.1907349 30.31693 
1 1 1   -6   13    3 o   66.385   13.566   82.213   33.484   57.852   57.486   94.722   41.194   61.058   21.475   71.711   16.583 -10.65335 27.13283 
1 1 1   -6   13    5 o  537.902   16.745  5101.02  301.114  5238.54  521.327  5032.17  368.865  542.950   27.166  532.854   19.586 10.09637 33.49039 
1 1 1   -6   13    7 f  274.545   14.643  1404.26  130.084  1157.44  225.039  1528.12  159.416  255.302   24.939  293.789   15.352 -38.48686 29.28590 
1 1 1   -6   13    9 o  746.792   17.082  9902.46  450.884  9894.03  637.524  9910.89  637.769  746.473   24.164  747.110   24.152 -0.6372070 34.16453 
1 1 1   -6   13   11 o  339.821   15.352  1946.63  177.154  2423.19  306.359  1707.23  217.139  369.377   23.466  310.264   19.801 59.11285 30.70393 
1 1 1   -6   13   13 o  163.194   10.266  476.323   58.105  367.781   81.536  588.327   82.826  144.078   16.011  182.309   12.854 -38.23105 20.53270 
1 1 1   -6   13   15 o  220.868   14.985  903.674  107.753  765.739  185.914  973.448  132.227  207.384   25.364  234.352   15.964 -26.96776 29.96946 
1 1 1   -6   13   17 o  236.452   15.041  1000.07  124.302  823.365  174.639  1181.51  176.963  215.034   22.978  257.869   19.416 -42.83430 30.08278 
1 1 1   -6   13   19 o  437.052   17.603  3424.52  270.624  3037.40  381.981  3814.66  383.464  411.903   26.238  462.200   23.473 -50.29718 35.20538 
1 1 1   -6   13   21 o  179.172   15.063  573.745   95.266  535.318  133.545  613.561  135.939  173.012   21.839  185.331   20.753 -12.31932 30.12668 
1 1 1   -6   13   23 o   97.581   13.825  188.223   43.795  132.023   74.837  217.493   54.009   84.557   23.952  110.605   13.816 -26.04763 27.65047 
1 1 1   -6   13   25 o  290.891   14.096  1542.98  135.419  1442.90  234.000  1593.37  166.051  282.879   23.404  298.903   15.718 -16.02377 28.19226 
1 1 1   -6   13   27 o  366.124   14.276  2458.36  172.226  2271.55  297.738  2552.30  211.135  354.240   23.780  378.008   15.803 -23.76810 28.55229 
1 1 1   -6   13   29 o  124.503   13.473  292.674   53.842  252.768   90.567  314.487   66.960  116.252   22.857  132.753   14.271 -16.50139 26.94590 
1 1 1   -6   13   31 o  230.678   15.784  966.104  128.414  894.650  181.571  1037.61  181.639  221.911   23.150  239.444   21.463 -17.53246 31.56835 
1 1 1   -6   13   33 o  132.759   21.346  319.640  100.162   0.0000   0.0000  319.640  100.162  ?   ?   132.759   21.346      ?      ? 
1 1 1   -6   13   35 o  239.928   22.610  1052.07  191.735   0.0000   0.0000  1052.07  191.735  ?   ?   239.928   22.610      ?      ? 
1 1 1   -6   13   37 o  166.651   15.306  509.296   90.105  490.481  127.359  528.151  127.498  163.457   22.045  169.846   21.239 -6.388733 30.61133 
1 1 1   -6   13   39 o  219.855   13.707  900.830   99.502  842.584  171.455  930.409  122.181  212.883   22.787  226.826   15.240 -13.94284 27.41380 
1 1 1   -6   13   41 o   22.329   9.1577   3.0091   11.551   0.0000   0.0000   3.0091   11.551  ?   ?    22.329   9.1577      ?      ? 
1 1 1   -6   13   43 o   41.950   15.330   27.314   29.614   0.0000   0.0000   27.314   29.614  ?   ?    41.950   15.330      ?      ? 
1 1 1   -6   14    2 o  584.583   17.835  6074.52  347.326  6067.38  601.363  6078.09  425.464  583.785   29.145  585.382   20.564 -1.596985 35.66930 
1 1 1   -6   14    4 o  736.207   16.911  9628.84  439.911  9897.73  622.027  9359.77  622.229  746.545   23.574  725.870   24.253 20.67542 33.82243 
1 1 1   -6   14    6 o  724.022   16.194  9309.14  414.391  9394.95  585.873  9223.24  586.202  727.378   22.789  720.666   23.014 6.712036 32.38798 
1 1 1   -6   14    8 o  502.397   13.673  4476.68  242.785  4463.13  343.198  4490.25  343.503  501.634   19.357  503.160   19.315 -1.526184 27.34553 
1 1 1   -6   14   10 o  655.421   21.953  7666.89  508.534  7757.77  719.276  7576.05  719.077  659.342   30.865  651.500   31.228 7.842468 43.90688 
1 1 1   -6   14   12 o  496.049   27.098  4386.11  475.099  4386.11  475.099   0.0000   0.0000  496.049   27.098  ?   ?       ?      ? 
1 1 1   -6   14   14 o  260.360   15.769  1206.14  145.029  1153.24  203.817  1260.40  206.413  254.549   22.654  266.171   21.941 -11.62247 31.53757 
1 1 1   -6   14   16 o  373.306   13.854  2388.16  174.509  2194.58  213.185  2781.31  303.812  351.504   17.160  395.107   21.756 -43.60278 27.70837 
1 1 1   -6   14   18 f  247.679   13.932  1115.67  113.667  1158.45  139.226  1030.16  196.842  255.355   15.426  240.003   23.205 15.35225 27.86455 
1 1 1   -6   14   20 o  248.639   11.633  1101.69  102.131  1153.44  144.094  1049.44  144.779  254.561   16.015  242.717   16.877 11.84383 23.26607 
1 1 1   -6   14   22 o  394.201   12.858  2778.34  178.988  2907.84  252.911  2648.39  253.343  403.516   17.733  384.886   18.623 18.62946 25.71563 
1 1 1   -6   14   24 o  293.732   14.766  1560.08  144.080  1521.89  248.990  1579.31  176.662  290.151   24.279  297.314   16.812 -7.162445 29.53160 
1 1 1   -6   14   26 o  230.251   13.141  989.497   98.627  844.847  169.872  1063.05  121.135  216.299   22.220  244.202   14.035 -27.90298 26.28124 
1 1 1   -6   14   28 o  183.427   12.964  611.737   78.902  582.033  135.748  626.893   96.964  179.487   21.398  187.367   14.642 -7.879730 25.92820 
1 1 1   -6   14   30 o  163.172   15.196  482.745   87.402  523.114  123.660  442.449  123.551  170.164   20.561  156.181   22.382 13.98328 30.39252 
1 1 1   -6   14   32 o  141.546   13.011  365.922   61.792  344.922  103.635  377.505   76.971  137.890   21.264  145.201   14.998 -7.311401 26.02141 
1 1 1   -6   14   34 o  169.559   15.384  524.326   92.178  535.208  130.325  513.432  130.395  171.377   21.516  167.740   21.994 3.636536 30.76777 
1 1 1   -6   14   36 o   84.745   21.569  136.572   64.768   0.0000   0.0000  136.572   64.768  ?   ?    84.745   21.569      ?      ? 
1 1 1   -6   14   38 o  200.597   15.888  729.070  112.648   0.0000   0.0000  729.070  112.648  ?   ?   200.597   15.888      ?      ? 
1 1 1   -6   14   40 o  202.881   22.527  776.906  161.536   0.0000   0.0000  776.906  161.536  ?   ?   202.881   22.527      ?      ? 
1 1 1   -6   14   42 o  133.822   22.104  346.487  104.551   0.0000   0.0000  346.487  104.551  ?   ?   133.822   22.104      ?      ? 
1 1 1   -6   14   44 o  147.358   22.693  436.945  118.190   0.0000   0.0000  436.945  118.190  ?   ?   147.358   22.693      ?      ? 
1 1 1   -6   15    1 o  463.515   13.234  3812.00  216.748  3914.27  306.382  3709.54  306.673  469.764   18.453  457.266   18.975 12.49796 26.46824 
1 1 1   -6   15    3 o  757.097   16.904 10192.47  452.336 10241.03  639.555 10143.86  639.843  758.914   23.843  755.280   23.969 3.633606 33.80830 
1 1 1   -6   15    5 o  659.710   19.595  7743.72  431.010  7798.16  746.305  7716.48  527.958  660.518   31.968  658.902   22.670 1.616028 39.19030 
1 1 1   -6   15    7 o  213.480   14.765  816.525  109.685  649.062  154.302  987.580  155.948  191.053   22.851  235.906   18.703 -44.85336 29.52905 
1 1 1   -6   15    9 o  1322.22   37.360 32013.23  1745.85 32376.81  2468.50 31649.36  2469.51  1330.02   52.512  1314.43   53.156 15.58569 74.71978 
1 1 1   -6   15   11 o  719.749   33.011  9301.36  839.776  9301.36  839.776   0.0000   0.0000  719.749   33.011  ?   ?       ?      ? 
1 1 1   -6   15   13 o  443.993   14.773  3394.07  221.228  3146.60  270.468  3894.31  384.546  420.755   18.187  467.230   23.286 -46.47446 29.54688 
1 1 1   -6   15   15 o  396.859   15.148  2782.43  201.212  2724.32  246.448  2898.61  348.469  391.302   17.819  402.417   24.500 -11.11453 30.29500 
1 1 1   -6   15   17 o  340.165   11.816  2060.50  141.974  1971.46  200.386  2150.25  201.180  332.735   17.039  347.595   16.375 -14.86066 23.63232 
1 1 1   -6   15   19 o  411.730   12.712  3026.16  184.990  3020.46  261.353  3031.88  261.879  411.342   17.976  412.119   17.979 -0.7763977 25.42415 
1 1 1   -6   15   21 o  216.537   11.343  836.849   86.743  869.959  122.224  803.248  123.126  220.903   15.654  212.171   16.419 8.731186 22.68566 
1 1 1   -6   15   23 o  523.798   17.005  4922.91  297.662  4839.47  364.560  5089.80  515.567  519.119   19.869  528.477   27.602 -9.358093 34.00955 
1 1 1   -6   15   25 o  268.131   12.998  1241.58  117.424  1139.82  143.211  1450.35  205.124  252.483   16.048  283.780   20.451 -31.29643 25.99595 
1 1 1   -6   15   27 o   54.185   12.573   50.544   27.867   55.146   39.394   45.935   39.426   55.884   17.748   52.485   17.813 3.398762 25.14541 
1 1 1   -6   15   29 o  160.734   15.314  468.248   86.930  447.496  122.980  488.971  122.894  157.082   22.151  164.386   21.152 -7.303314 30.62759 
1 1 1   -6   15   31 o  275.081   13.572  1416.08  122.482  1223.66  208.999  1516.74  151.161  259.092   22.823  291.069   14.693 -31.97659 27.14369 
1 1 1   -6   15   33 o   93.032   15.500  164.051   50.157  154.591   70.909  173.523   70.957   90.267   22.345   95.797   21.486 -5.530060 30.99905 
1 1 1   -6   15   35 o  277.171   16.394  1417.32  160.577  1385.90  226.975  1448.81  227.206  273.967   23.440  280.376   22.928 -6.408508 32.78890 
1 1 1   -6   15   37 o  153.013   21.724  433.496  117.484  433.496  117.484   0.0000   0.0000  153.013   21.724  ?   ?       ?      ? 
1 1 1   -6   15   39 o  146.041   21.872  401.205  112.896   0.0000   0.0000  401.205  112.896  ?   ?   146.041   21.872      ?      ? 
1 1 1   -6   15   41 o   43.386   15.602   30.270   30.503   0.0000   0.0000   30.270   30.503  ?   ?    43.386   15.602      ?      ? 
1 1 1   -6   15   43 o   80.641   21.906  134.122   64.056   0.0000   0.0000  134.122   64.056  ?   ?    80.641   21.906      ?      ? 
1 1 1   -6   16    4 o  425.791   25.649  3235.72  385.996   0.0000   0.0000  3235.72  385.996  ?   ?   425.791   25.649      ?      ? 
1 1 1   -6   16    6 o  139.229   18.247  364.623   85.834  495.592  120.663  230.463  122.124  166.910   20.454  111.549   30.224 55.36076 36.49443 
1 1 1   -6   16    8 o  417.277   12.197  3093.13  179.853  3021.34  254.135  3165.17  254.567  412.402   17.435  422.151   17.061 -9.748627 24.39408 
1 1 1   -6   16   10 o  165.172   15.166  488.168   88.048  547.119  124.547  429.271  124.490  175.265   20.106  155.079   22.712 20.18599 30.33294 
1 1 1   -6   16   12 o  501.935   13.143  4487.35  233.125  4390.65  329.425  4584.37  329.953  496.478   18.773  507.392   18.399 -10.91351 26.28581 
1 1 1   -6   16   14 o  690.153   16.040  8532.08  391.249  8602.25  553.093  8461.79  553.525  693.036   22.580  687.270   22.787 5.765808 32.07970 
1 1 1   -6   16   16 o  331.927   14.456  1957.92  160.354  1929.31  196.392  2015.14  277.742  328.980   16.890  334.874   23.466 -5.893646 28.91253 
1 1 1   -6   16   18 o  496.606   13.835  4416.46  242.788  4503.93  343.058  4328.69  343.649  501.603   19.350  491.608   19.778 9.994995 27.66932 
1 1 1   -6   16   20 o  656.609   15.727  7765.71  364.960  7678.17  515.872  7853.43  516.391  652.840   22.357  660.379   22.124 -7.539185 31.45337 
1 1 1   -6   16   22 o  336.419   11.823  2024.97  140.475  1932.25  198.229  2118.51  199.098  328.596   17.068  344.242   16.364 -15.64645 23.64510 
1 1 1   -6   16   24 o  135.355   13.016  341.011   58.611  430.647   82.067  247.690   83.737  155.283   14.953  115.427   21.310 39.85615 26.03286 
1 1 1   -6   16   26 o  291.303   15.190  1542.56  154.529  1262.67  216.635  1832.49  220.489  263.690   23.244  318.917   19.561 -55.22665 30.37965 
1 1 1   -6   16   28 o  471.467   15.596  4227.67  237.803  3498.42  410.338  4596.45  291.799  436.594   26.592  506.340   16.305 -69.74533 31.19240 
1 1 1   -6   16   30 o  454.724   15.331  3878.27  228.167  3422.68  393.212  4109.54  280.156  431.279   25.796  478.170   16.577 -46.89160 30.66279 
1 1 1   -6   16   32 o   46.603   11.398   35.195   22.956   41.152   32.650   29.372   32.282   48.948   16.205   44.258   16.032 4.689552 22.79537 
1 1 1   -6   16   34 o  245.669   13.304  1082.38  115.523   0.0000   0.0000  1082.38  115.523  ?   ?   245.669   13.304      ?      ? 
1 1 1   -6   16   36 o   57.466   11.755   62.164   25.668   46.216   39.030   74.318   34.073   52.074   17.723   62.858   15.447 -10.78436 23.50970 
1 1 1   -6   16   38 o  157.781   22.069  469.410  123.070   0.0000   0.0000  469.410  123.070  ?   ?   157.781   22.069      ?      ? 
1 1 1   -6   17    1 o  372.548   15.393  2507.90  189.563  2566.01  231.949  2391.03  328.950  379.825   17.278  365.270   25.480 14.55472 30.78542 
1 1 1   -6   17    3 o  544.054   17.416  5317.54  314.962  5353.57  385.767  5245.50  545.479  548.049   19.915  540.058   28.577 7.990112 34.83192 
1 1 1   -6   17    5 o  247.813   13.530  1078.44  112.458  1045.81  137.744  1143.68  194.751  242.568   16.066  253.059   21.774 -10.49074 27.05985 
1 1 1   -6   17    7 o  411.446   17.897  3037.83  260.158  3139.60  367.954  2936.10  367.885  418.442   24.879  404.450   25.735 13.99216 35.79496 
1 1 1   -6   17    9 o  548.786   20.164  5435.57  390.882  5646.05  552.849  5225.17  552.733  559.634   27.950  537.938   29.071 21.69617 40.32790 
1 1 1   -6   17   11 o  135.499   12.939  331.429   58.333  315.748   99.942  339.532   71.840  132.812   21.291  138.185   14.709 -5.372635 25.87756 
1 1 1   -6   17   13 o  312.255   14.297  1735.28  149.251  1776.24  257.945  1714.67  182.995  314.377   23.214  310.132   16.694 4.244507 28.59391 
1 1 1   -6   17   15 o  376.375   12.300  2529.59  163.621  2503.88  231.035  2555.46  231.758  374.442   17.457  378.307   17.333 -3.865112 24.60036 
1 1 1   -6   17   17 o  286.958   10.899  1470.43  110.235  1341.27  155.426  1601.16  156.371  274.154   16.040  299.762   14.759 -25.60818 21.79718 
1 1 1   -6   17   19 o  333.906   11.967  1994.29  141.219  2022.44  199.276  1965.89  200.155  336.310   16.765  331.501   17.083 4.809082 23.93488 
1 1 1   -6   17   21 o  875.816   18.622 13991.59  576.036 13384.08  814.302 14600.11  814.973  856.186   26.909  895.447   25.750 -39.26093 37.24480 
1 1 1   -6   17   23 o  306.783   12.030  1689.74  130.143  1812.52  183.580  1565.71  184.523  318.175   16.324  295.391   17.674 22.78427 24.05938 
1 1 1   -6   17   25 o  191.670   11.344  660.067   76.559  718.336  107.558  600.228  108.997  200.404   15.185  182.936   16.858 17.46857 22.68842 
1 1 1   -6   17   27 o  281.345   16.503  1446.44  163.187  1617.81  230.785  1275.09  230.778  298.577   21.869  264.112   24.722 34.46524 33.00672 
1 1 1   -6   17   29 o  356.633   11.681  2286.59  147.232  2249.76  206.933  2324.36  209.525  353.713   16.552  359.553   16.487 -5.840454 23.36267 
1 1 1   -6   17   31 o  138.412   13.671  337.585   65.066  391.496  107.865  306.748   81.579  146.551   20.824  130.273   17.718 16.27812 27.34172 
1 1 1   -6   17   33 o  235.178   13.519  1047.71  104.461  889.158  176.425  1133.30  129.626  219.434   22.748  250.921   14.616 -31.48689 27.03864 
1 1 1   -6   17   35 o  155.877   17.752  463.675   93.720  463.768  121.900  463.541  146.563  158.001   21.829  153.753   28.002 4.247314 35.50454 
1 1 1   -6   17   37 o  105.749   22.682  218.908   82.233  218.908   82.233   0.0000   0.0000  105.749   22.682  ?   ?       ?      ? 
1 1 1   -6   18    2 o  190.196   10.372  645.944   69.236  556.879   97.661  735.938   98.170  176.881   15.621  203.511   13.648 -26.63023 20.74364 
1 1 1   -6   18    4 o  446.820   12.840  3562.90  202.769  3520.48  286.577  3605.43  286.940  444.133   18.256  449.507   18.061 -5.373474 25.68022 
1 1 1   -6   18    6 o  282.600   11.458  1422.70  114.446  1418.57  161.669  1426.86  162.032  282.188   16.209  283.012   16.199 -0.8240662 22.91592 
1 1 1   -6   18    8 o  444.572   13.097  3531.22  205.796  3514.57  290.868  3547.91  291.210  443.514   18.555  445.630   18.489 -2.115814 26.19430 
1 1 1   -6   18   10 o  500.134   16.976  4554.14  280.999  4648.31  344.174  4365.87  486.641  509.726   19.104  490.542   28.068 19.18433 33.95251 
1 1 1   -6   18   12 o  133.357   15.507  324.609   71.379  347.915  100.955  301.312  100.935  139.258   20.511  127.455   23.263 11.80379 31.01410 
1 1 1   -6   18   14 o  378.976   17.555  2599.09  235.137  2630.17  332.557  2568.02  332.511  381.296   24.677  376.657   24.977 4.638275 35.11097 
1 1 1   -6   18   16 o  190.325   13.217  654.152   83.771  635.441  143.935  663.737  103.017  187.775   21.687  192.875   15.112 -5.100266 26.43306 
1 1 1   -6   18   18 o  120.171   12.509  277.107   47.379  221.854   80.269  306.650   58.694  109.089   21.583  131.253   12.652 -22.16429 25.01783 
1 1 1   -6   18   20 o  177.281   10.654  561.627   66.604  513.505   93.321  611.588   95.088  169.473   15.580  185.090   14.535 -15.61728 21.30730 
1 1 1   -6   18   22 o  293.465   14.386  1567.68  139.862  1594.50  171.310  1514.07  242.209  298.366   16.245  288.564   23.748 9.802307 28.77252 
1 1 1   -6   18   24 o  358.175   11.899  2301.94  150.628  2308.80  212.505  2295.00  213.538  358.733   16.760  357.616   16.894 1.116638 23.79742 
1 1 1   -6   18   26 o  234.471   13.375  959.383  103.875  901.896  124.947  1088.03  186.910  224.235   15.765  244.706   21.611 -20.47134 26.74998 
1 1 1   -6   18   28 o  289.602   14.155  1519.53  136.505  1515.06  167.192  1528.46  236.408  290.236   16.298  288.967   23.147 1.269043 28.30935 
1 1 1   -6   18   30 o  368.564   14.722  2564.91  177.484  2232.56  304.656  2735.66  218.367  347.389   24.813  389.738   15.852 -42.34955 29.44433 
1 1 1   -6   18   32 o  231.773   14.184  975.946  112.480  679.810  151.352  1341.27  168.105  191.822   22.324  271.724   17.504 -79.90259 28.36799 
1 1 1   -6   18   34 o  298.242   15.927  1658.16  166.863  1426.40  230.198  1914.75  242.219  275.510   23.640  320.974   21.351 -45.46341 31.85446 
1 1 1   -6   18   36 f   58.006   13.340   61.424   31.369   64.719   43.913   57.990   44.826   59.126   18.734   56.886   18.995 2.239376 26.67924 
1 1 1   -6   18   38 f  243.343   23.739  1170.28  204.172   0.0000   0.0000  1170.28  204.172  ?   ?   243.343   23.739      ?      ? 
1 1 1   -6   19    1 o  162.245   10.600  469.245   60.705  440.689   85.627  498.101   86.075  157.243   15.407  167.248   14.561 -10.00491 21.19918 
1 1 1   -6   19    3 o  302.010   11.132  1627.49  118.671  1529.85  167.614  1725.61  168.039  292.844   16.194  311.177   15.279 -18.33228 22.26387 
1 1 1   -6   19    5 o  138.738   9.8253  343.123   48.013  308.974   67.618  377.850   68.188  131.719   14.524  145.757   13.236 -14.03773 19.65063 
1 1 1   -6   19    7 o  239.628   15.324  1095.46  117.529  1206.91  143.735  870.623  204.159  260.140   15.633  219.117   26.362 41.02361 30.64827 
1 1 1   -6   19    9 o  155.471   13.237  438.167   68.097  448.316   83.417  417.892  117.905  158.589   14.882  152.353   21.896 6.236069 26.47449 
1 1 1   -6   19   11 o  351.252   12.877  2218.60  158.925  2488.38  224.553  1947.85  224.955  373.026   17.032  329.479   19.317 43.54764 25.75348 
1 1 1   -6   19   13 o  438.768   12.706  3449.95  197.014  3383.32  278.204  3516.97  279.039  434.469   18.117  443.068   17.819 -8.599548 25.41113 
1 1 1   -6   19   15 o   70.050   12.464   93.464   29.913  100.447   36.679   79.600   51.687   73.774   14.584   66.327   20.218 7.446953 24.92859 
1 1 1   -6   19   17 o  198.660   13.348  711.473   88.147  715.606  107.961  703.210  152.665  200.109   15.264  197.212   21.902 2.897125 26.69662 
1 1 1   -6   19   19 o  259.908   16.039  1225.73  147.182  1289.66  208.236  1161.91  208.057  266.858   22.078  252.958   23.271 13.90039 32.07743 
1 1 1   -6   19   21 o  111.758   14.432  224.499   53.658  247.986   90.364  211.708   66.688  114.934   23.047  108.582   17.377 6.351051 28.86364 
1 1 1   -6   19   23 o  357.875   15.142  2330.48  180.269  2295.87  311.164  2347.96  221.165  354.300   24.848  361.450   17.312 -7.150330 30.28441 
1 1 1   -6   19   25 o   84.580   11.399  152.919   31.571   64.143   50.835  208.656   40.280   60.880   20.224  108.280   10.525 -47.40016 22.79891 
1 1 1   -6   19   27 o  169.863   16.502  529.243   98.244  527.747  130.791  531.180  148.826  169.996   21.768  169.731   24.808 0.2652130 33.00457 
1 1 1   -6   19   29 o  157.813   14.380  440.436   78.190  323.988  101.861  607.477  121.998  132.868   21.690  182.758   18.887 -49.88951 28.76074 
1 1 1   -6   19   31 o   70.609   11.535   92.782   27.752   88.541   35.694   99.264   44.131   68.738   15.104   72.480   17.439 -3.741745 23.07045 
1 1 1   -6   19   33 o  300.812   14.241  1743.33  140.020  1480.94  238.079  1882.08  173.127  279.785   24.076  321.839   15.220 -42.05368 28.48286 
1 1 1   -6   19   35 o   99.507   13.775  194.962   46.085  161.409   72.600  217.607   59.643   90.160   22.775  108.855   15.502 -18.69479 27.55046 
1 1 1   -6   19   37 o   95.700   22.835  186.644   76.160   0.0000   0.0000  186.644   76.160  ?   ?    95.700   22.835      ?      ? 
1 1 1   -6   20    2 o  177.611   9.9694  563.542   62.307  501.269   87.866  626.523   88.365  167.639   14.830  187.583   13.328 -19.94441 19.93877 
1 1 1   -6   20    4 o  235.104   11.386  988.708   94.461  1050.48  133.426  926.631  133.751  242.559   15.563  227.648   16.623 14.91115 22.77155 
1 1 1   -6   20    6 o  140.154   10.944  350.944   54.174  364.383   76.383  337.342   76.847  142.887   15.124  137.420   15.822 5.467621 21.88786 
1 1 1   -6   20    8 o   55.120   12.459   52.649   27.786   65.413   39.381   39.995   39.211   59.880   17.504   50.359   17.734 9.521069 24.91731 
1 1 1   -6   20   10 o  176.898   9.3475  562.223   57.492  443.518   80.769  684.131   81.852  157.665   14.494  196.131   11.808 -38.46542 18.69491 
1 1 1   -6   20   12 o  278.983   11.732  1394.78  115.536  1467.96  162.907  1320.72  163.883  286.461   16.090  271.507   17.078 14.95389 23.46360 
1 1 1   -6   20   14 o  197.725   9.7643  699.317   67.737  596.770   94.936  805.659   96.677  182.796   14.694  212.653   12.863 -29.85744 19.52867 
1 1 1   -6   20   16 o  322.156   12.036  1861.51  137.026  1886.88  193.256  1835.86  194.315  324.410   16.855  319.903   17.186 4.506378 24.07134 
1 1 1   -6   20   18 o  177.473   10.392  563.024   65.043  514.829   91.024  613.308   92.976  169.644   15.181  185.301   14.196 -15.65659 20.78443 
1 1 1   -6   20   20 o  199.667   15.349  723.753  108.136  674.690  152.697  773.113  153.159  192.702   22.420  206.633   20.971 -13.93088 30.69899 
1 1 1   -6   20   22 o   92.032   21.865  160.039   70.069  160.039   70.069   0.0000   0.0000   92.032   21.865  ?   ?       ?      ? 
1 1 1   -6   20   26 o  292.766   23.540  1578.04  243.578  1578.04  243.578   0.0000   0.0000  292.766   23.540  ?   ?       ?      ? 
1 1 1   -6   20   28 o  210.611   22.363  818.426  166.468   0.0000   0.0000  818.426  166.468  ?   ?   210.611   22.363      ?      ? 
1 1 1   -6   20   30 o  104.696   10.732  195.115   39.381  169.360   51.995  229.768   60.312   96.722   15.210  112.670   15.145 -15.94813 21.46406 
1 1 1   -6   20   32 o  243.946   14.028  1101.15  114.010  1089.65  139.632  1124.14  197.475  244.081   16.186  243.811   22.916 0.2699738 28.05559 
1 1 1   -6   20   34 o  141.910   15.950  392.842   77.866  353.497  109.990  432.372  110.249  133.081   24.278  150.740   20.693 -17.65910 31.90070 
1 1 1   -6   20   36 o  144.289   22.548  412.513  114.991   0.0000   0.0000  412.513  114.991  ?   ?   144.289   22.548      ?      ? 
1 1 1   -6   21    1 o   65.723   11.401   80.602   26.434   92.902   37.020   67.806   37.758   70.784   15.248   60.662   16.953 10.12123 22.80145 
1 1 1   -6   21    3 o  328.212   11.685  1929.22  135.467  1847.46  191.383  2011.31  191.776  321.154   16.860  335.270   16.184 -14.11566 23.37074 
1 1 1   -6   21    5 o  341.778   11.985  2093.28  144.745  2146.00  204.515  2040.36  204.885  346.155   16.716  337.402   17.181 8.753082 23.97094 
1 1 1   -6   21    7 f  269.183   16.200  1313.32  154.126  1322.96  218.035  1303.68  217.898  270.194   22.831  268.172   22.989 2.022278 32.40005 
1 1 1   -6   21    9 o  265.135   10.875  1256.90  101.906  1238.15  143.786  1275.81  144.451  263.133   15.460  267.138   15.299 -4.004181 21.75052 
1 1 1   -6   21   11 o   77.242   11.199  110.345   29.545   98.815   40.942  122.873   42.677   72.881   16.302   81.602   15.361 -8.721024 22.39885 
1 1 1   -6   21   13 o  190.785   11.105  651.729   74.861  660.957  105.073  642.216  106.686  192.193   15.468  189.377   15.939 2.816849 22.21046 
1 1 1   -6   21   15 o   63.981   13.458   71.968   32.021   89.452   52.046   61.320   40.618   69.594   20.060   58.369   17.946 11.22589 26.91546 
1 1 1   -6   21   17 o  334.825   17.080  2046.12  202.112  2024.48  283.931  2068.34  287.768  333.046   24.121  336.604   24.188 -3.558655 34.15950 
1 1 1   -6   21   19 o  218.420   15.482  867.014  119.369  808.201  165.983  930.015  171.792  210.642   22.295  226.199   21.488 -15.55692 30.96411 
1 1 1   -6   21   21 o  142.955   13.184  358.280   61.765  340.601   73.758  399.775  113.001  137.781   15.146  148.128   21.584 -10.34706 26.36775 
1 1 1   -6   21   23 o  203.562   10.972  744.797   78.923  728.587  110.125  761.914  113.166  201.295   15.479  205.829   15.556 -4.534714 21.94465 
1 1 1   -6   21   25 o  104.703   10.531  195.098   38.712  178.711   51.257  216.856   59.065   99.686   14.548  109.720   15.231 -10.03327 21.06218 
1 1 1   -6   21   27 o  312.137   16.818  1768.88  185.546  1768.88  185.546   0.0000   0.0000  312.137   16.818  ?   ?       ?      ? 
1 1 1   -6   21   29 o   94.123   15.694  171.740   51.457  154.705   72.643  188.897   72.899   89.204   22.918   99.041   21.446 -9.837105 31.38750 
1 1 1   -6   21   31 o   93.215   14.866  162.602   47.375  215.217   75.400  128.282   60.896  105.370   20.983   81.060   21.063 24.31010 29.73121 
1 1 1   -6   21   33 o  197.779   13.614  728.213   90.259  698.284  110.527  788.130  156.384  193.819   16.134  201.739   21.932 -7.920135 27.22751 
1 1 1   -6   21   35 o   70.603   20.896  100.614   55.818   0.0000   0.0000  100.614   55.818  ?   ?    70.603   20.896      ?      ? 
1 1 1   -6   22    2 o   54.401   10.782   53.890   22.813   77.044   31.617   28.742   32.950   64.448   14.258   44.354   16.177 20.09454 21.56312 
1 1 1   -6   22    4 o  107.997   9.2878  209.925   34.778  161.860   48.745  259.757   49.633   95.182   14.490  120.812   11.624 -25.63003 18.57568 
1 1 1   -6   22    6 o  111.565   14.025  228.455   51.075  228.215   87.497  228.579   62.905  110.136   23.209  112.994   15.751 -2.857628 28.04942 
1 1 1   -6   22    8 o   56.449   9.1606   55.985   18.846   32.094   25.225   86.165   28.351   43.318   14.240   69.581   11.528 -26.26250 18.32124 
1 1 1   -6   22   10 o  230.188   13.538  971.801  102.964  905.473  177.451  1005.47  126.422  223.309   22.483  237.066   15.088 -13.75601 27.07634 
1 1 1   -6   22   12 o   90.085   13.218  146.483   41.648   94.627   55.830  211.545   62.537   71.563   20.819  108.607   16.291 -37.04420 26.43584 
1 1 1   -6   22   14 o  116.017   18.135  260.258   74.606  337.720  101.968  171.015  109.447  136.433   21.146   95.601   29.469 40.83175 36.27084 
1 1 1   -6   22   16 o  213.932   14.361  844.085  100.089  868.903  121.305  791.153  177.154  220.057   15.596  207.808   24.120 12.24910 28.72275 
1 1 1   -6   22   18 o   77.596   12.033  112.868   31.986  116.461   43.223  108.519   47.555   79.134   16.004   76.059   17.975 3.075089 24.06673 
1 1 1   -6   22   20 o   97.626   10.654  170.226   36.634  152.480   49.876  191.015   53.985   92.106   15.321  103.146   14.808 -11.04059 21.30755 
1 1 1   -6   22   22 o  190.296   11.515  654.505   77.349  673.669  107.809  634.176  111.038  193.293   15.780  187.300   16.773 5.992844 23.02956 
1 1 1   -6   22   24 o  312.644   12.141  1776.80  133.965  1863.94  188.116  1687.13  190.823  320.705   16.596  304.583   17.726 16.12210 24.28225 
1 1 1   -6   22   26 o  265.303   10.900  1275.44  101.484  1084.72  140.736  1482.03  146.477  244.252   16.302  286.353   14.473 -42.10132 21.79954 
1 1 1   -6   22   28 o  232.769   16.168  1013.56  132.326  908.974  176.926  1146.33  199.347  219.310   22.825  246.228   22.906 -26.91754 32.33695 
1 1 1   -6   22   30 o   46.890   11.083   38.771   20.993   40.914   25.764   34.538   36.216   47.059   14.258   46.721   16.972 0.3375511 22.16603 
1 1 1   -6   22   32 o  151.594   13.154  428.129   66.937  407.982   81.991  468.393  115.911  147.935   15.681  155.253   21.123 -7.318146 26.30771 
1 1 1   -6   23    1 o  146.047   13.203  372.047   65.396  428.419  112.233  343.069   80.468  153.834   20.642  138.261   16.467 15.57323 26.40518 
1 1 1   -6   23    3 f  206.030   13.277  753.720   91.190  731.184  111.050  800.376  159.785  202.013   15.553  210.046   21.523 -8.032974 26.55446 
1 1 1   -6   23    5 o  330.954   14.645  1963.61  162.247  2047.60  280.617  1921.44  198.853  334.970   23.702  326.938   17.209 8.032043 29.29048 
1 1 1   -6   23    7 o  134.680   18.232  349.265   83.653  460.804  116.957  232.436  119.698  159.441   20.754  109.920   29.981 49.52103 36.46336 
1 1 1   -6   23    9 o  207.349   16.741  789.951  121.848  883.060  171.081  694.098  173.583  220.292   21.973  194.406   25.263 25.88641 33.48130 
1 1 1   -6   23   11 o  281.361   13.993  1422.27  131.059  1399.82  159.942  1468.13  228.644  279.129   16.212  283.592   22.811 -4.462952 27.98523 
1 1 1   -6   23   13 o   67.066   10.669   82.892   24.716   68.275   33.500  100.352   36.614   60.538   15.569   73.593   14.592 -13.05434 21.33788 
1 1 1   -6   23   15 o  228.257   11.688  939.881   94.109  995.484  132.148  882.662  134.054  235.280   15.891  221.234   17.144 14.04652 23.37602 
1 1 1   -6   23   17 o  276.260   12.171  1384.30  118.138  1545.58  166.471  1220.66  167.682  292.920   16.079  259.600   18.275 33.31976 24.34184 
1 1 1   -6   23   19 o  243.435   10.961  1067.93   94.179  994.291  131.963  1144.38  134.451  234.758   15.904  252.112   15.089 -17.35350 21.92283 
1 1 1   -6   23   21 o  172.387   10.900  536.056   66.348  503.988   92.306  570.333   95.432  167.006   15.638  177.769   15.189 -10.76352 21.79996 
1 1 1   -6   23   23 o  163.342   13.699  504.208   73.111  531.505   89.567  449.703  126.565  171.460   14.780  155.224   23.069 16.23567 27.39763 
1 1 1   -6   23   25 o  131.431   10.566  311.828   48.868  274.382   66.479  355.847   72.078  122.811   15.315  140.052   14.561 -17.24066 21.13265 
1 1 1   -6   23   27 o  140.426   9.7321  352.821   46.244  230.491   61.329  514.031   70.404  112.128   15.475  168.724   11.806 -56.59594 19.46426 
1 1 1   -6   23   29 o  289.810   15.123  1606.74  147.637  1664.08  250.189  1576.11  182.870  290.079   24.402  289.541   17.870 0.5385437 30.24553 
1 1 1   -6   23   31 o   53.080   11.664   51.163   23.164   45.383   28.378   62.704   40.101   49.040   14.987   57.121   17.876 -8.081032 23.32751 
1 1 1   -6   24    6 o  288.254   23.402  1522.67  238.426  1522.67  238.426   0.0000   0.0000  288.254   23.402  ?   ?       ?      ? 
1 1 1   -6   24    8 o  341.743   11.885  2104.09  143.549  2084.40  202.529  2123.98  203.493  340.120   16.847  343.366   16.768 -3.245361 23.76954 
1 1 1   -6   24   10 o  196.617   11.139  695.526   77.376  709.806  108.701  680.859  110.166  198.723   15.476  194.511   16.024 4.212021 22.27780 
1 1 1   -6   24   12 o  359.119   12.313  2331.46  156.217  2399.58  220.484  2262.78  221.366  364.524   17.113  353.714   17.707 10.80994 24.62501 
1 1 1   -6   24   14 o  163.557   11.527  485.425   66.231  533.557   92.335  434.417   95.053  172.182   15.172  154.933   17.358 17.24944 23.05444 
1 1 1   -6   24   16 f  151.941   11.250  417.834   60.268  436.377   83.692  397.861   86.860  155.589   15.219  148.293   16.572 7.295181 22.50008 
1 1 1   -6   24   18 o  168.026   10.279  508.579   60.668  436.353   84.092  586.973   87.610  155.414   15.309  180.639   13.722 -25.22527 20.55878 
1 1 1   -6   24   20 o  126.900   11.518  293.341   51.509  304.398   71.108  281.134   74.714  129.582   15.526  124.218   17.018 5.364502 23.03587 
1 1 1   -6   24   22 o  345.391   11.750  2180.99  143.258  2043.20  201.376  2322.18  203.842  334.037   17.057  356.746   16.166 -22.70856 23.50066 
1 1 1   -6   24   24 o  222.213   11.265  905.546   88.459  889.932  123.564  921.961  126.694  220.280   15.871  224.146   15.992 -3.866379 22.53056 
1 1 1   -6   24   26 o   69.985   12.865   92.690   30.779   87.480   37.669  103.156   53.388   67.473   16.032   72.497   20.123 -5.023651 25.72906 
1 1 1   -6   24   28 o  109.606   11.359  221.105   43.594  195.858   57.118  256.332   67.469  102.348   15.790  116.863   16.334 -14.51479 22.71850 
1 1 1   -6   25    1 o  242.736   11.315  1062.32   97.055  1080.56  136.775  1043.82  137.743  244.894   15.802  240.578   16.199 4.316528 22.62993 
1 1 1   -6   25    3 o  172.609   9.8845  538.460   59.293  422.361   82.981  659.570   84.753  153.195   15.325  192.023   12.488 -38.82784 19.76899 
1 1 1   -6   25    5 o   95.610   15.827  174.402   52.582  186.308   74.179  162.379   74.546   99.028   21.785   92.192   22.964 6.835953 31.65306 
1 1 1   -6   25    7 o  143.177   15.331  376.183   77.571  383.331  109.719  369.041  109.686  144.589   21.470  141.766   21.891 2.822113 30.66176 
1 1 1   -6   25    9 o  259.452   16.347  1243.81  149.795  1190.84  211.884  1296.73  211.801  253.676   23.632  265.228   22.594 -11.55186 32.69466 
1 1 1   -6   25   11 o   70.840   13.600   95.277   34.336   87.903   56.363   99.629   43.299   68.944   21.130   72.736   17.126 -3.792191 27.19904 
1 1 1   -6   25   13 o  151.639   12.476  417.330   63.650  421.413  108.037  415.160   78.773  151.541   20.171  151.736   14.688 -0.1943970 24.95199 
1 1 1   -6   25   15 o  196.173   10.509  694.783   72.666  626.901  101.049  767.479  104.571  186.111   15.362  206.235   14.346 -20.12367 21.01877 
1 1 1   -6   25   17 o  107.185   10.351  212.005   36.684  143.375   50.302  289.972   53.614   87.299   16.913  127.071   11.937 -39.77206 20.70171 
1 1 1   -6   25   19 o   49.170   11.019   43.917   21.542   49.259   28.149   36.368   33.465   51.434   14.731   46.907   16.392 4.526913 22.03846 
1 1 1   -6   25   21 o   79.057   13.366  119.218   35.314  116.705   43.246  124.245   61.177   78.406   16.143   79.708   21.306 -1.302383 26.73108 
1 1 1   -6   25   23 o  221.613   10.578  905.630   82.002  749.776  114.206  1071.48  117.814  201.217   16.058  242.009   13.774 -40.79156 21.15617 
1 1 1   -6   25   25 o   37.527   9.4829   22.542   16.329   30.353   20.759   9.8653   26.445   40.826   12.875   34.228   13.926 6.597637 18.96570 
1 1 1   -6   26    2 o  154.653   11.127  433.529   60.705  458.064   85.175  408.201   86.541  159.244   15.133  150.063   16.317 9.180984 22.25404 
1 1 1   -6   26    4 o  182.811   15.682  619.300  101.205  652.749  143.092  585.821  143.157  187.992   21.536  177.630   22.802 10.36209 31.36430 
1 1 1   -6   26    6 o  168.186   10.475  510.507   62.133  466.262   86.678  557.270   89.110  160.582   15.272  175.791   14.342 -15.20876 20.95047 
1 1 1   -6   26    8 o  165.327   10.406  494.192   60.528  435.650   84.650  555.436   86.582  155.119   15.440  175.536   13.955 -20.41710 20.81194 
1 1 1   -6   26   10 o  149.827   13.297  414.375   66.048  419.520   80.936  404.118  114.272  152.222   15.043  147.432   21.930 4.789902 26.59335 
1 1 1   -6   26   12 o   35.808   9.5403   17.557   16.171   22.039   19.738   8.4074   28.203   36.604   12.600   35.012   14.329 1.591076 19.08065 
1 1 1   -6   26   14 o   98.146   15.883  188.156   54.173  156.070   76.616  220.236   76.609   89.216   23.841  107.076   20.993 -17.85988 31.76667 
1 1 1   -6   26   16 o  158.401   15.632  474.304   87.516  470.694  123.697  477.922  123.834  157.762   22.184  159.040   22.030 -1.278961 31.26410 
1 1 1   -6   26   18 o   85.550   13.879  142.956   40.081  138.271   65.803  145.719   50.538   83.660   21.971   87.439   16.965 -3.778931 27.75866 
1 1 1   -6   26   20 o   57.799   11.436   63.999   24.098   65.596   31.476   61.739   37.460   58.555   15.108   57.044   17.172 1.511528 22.87239 
1 1 1   -6   26   22 f  105.066   11.027  204.511   40.809  186.424   55.193  226.325   60.612   99.966   15.621  110.166   15.567 -10.19999 22.05320 
1 1 1   -6   26   24 o   33.666   8.8935   16.510   13.848   17.525   17.201   14.640   23.346   32.982   11.731   34.350   13.370 -1.367207 17.78701 
1 1 1   -6   27    1 f   44.029   11.744   26.492   23.839   25.867   29.106   27.765   41.552   41.558   15.197   46.500   17.909 -4.942081 23.48795 
1 1 1   -6   27    3 o  288.314   14.459  1546.51  138.758  1545.87  239.439  1546.84  170.264  285.778   23.705  290.850   16.563 -5.071838 28.91828 
1 1 1   -6   27    5 o   90.790   11.102  152.869   34.742  160.089   48.104  144.997   50.230   93.917   14.492   87.662   16.824 6.255135 22.20446 
1 1 1   -6   27    7 o   73.874   10.190  100.199   25.967   75.369   35.285  129.533   38.352   63.056   15.850   84.692   12.812 -21.63620 20.38067 
1 1 1   -6   27    9 o   60.576   11.311   69.942   24.523   74.003   32.666   64.698   37.120   62.525   14.979   58.626   16.953 3.899532 22.62218 
1 1 1   -6   27   11 o  197.723   10.932  715.561   76.361  686.801  106.854  745.578  109.166  193.594   15.616  201.852   15.302 -8.257584 21.86334 
1 1 1   -6   27   13 o   56.965   10.777   60.621   21.974   53.654   28.957   70.080   33.740   53.312   14.828   60.619   15.643 -7.306488 21.55381 
1 1 1   -6   27   15 o   38.033   8.8048   22.864   13.729   13.978   17.551   36.875   22.038   31.521   11.751   44.546   13.115 -13.02549 17.60951 
1 1 1   -6   27   17 o  138.874   13.486  365.408   62.255  362.126   76.208  371.991  107.939  139.657   15.439  138.090   22.116 1.566635 26.97146 
1 1 1   -6   27   19 o   34.664   9.4024   15.057   16.386   7.9746   23.166   22.149   23.182   31.840   13.003   37.488   13.585 -5.648523 18.80477 
1 1 1   -6   28    2 o  125.876   24.396  317.181  104.617   0.0000   0.0000  317.181  104.617  ?   ?   125.876   24.396      ?      ? 
1 1 1   -6   28    4 o   85.348   11.725  138.932   34.444  159.230   47.678  116.773   49.814   93.185   14.476   77.510   18.449 15.67411 23.45073 
1 1 1   -6   28    6 o   61.785   9.4727   69.788   20.693   46.733   27.834   98.277   30.941   49.952   14.748   73.617   11.891 -23.66561 18.94531 
1 1 1   -6   28    8 o  110.174   10.615  223.593   41.306  213.194   57.368  234.788   59.522  107.490   15.100  112.858   14.922 -5.368523 21.22922 
1 1 1   -6   28   10 o  186.993   10.850  647.507   71.686  624.450  100.232  671.650  102.568  183.526   15.452  190.459   15.237 -6.933136 21.70080 
1 1 1   -6   28   12 o  164.150   10.738  500.009   62.160  456.427   86.479  546.597   89.411  156.519   15.632  171.781   14.726 -15.26260 21.47630 
1 1 1   -6   28   14 o   80.072   11.359  123.281   30.960  113.520   42.007  134.888   45.808   76.549   16.040   83.594   16.088 -7.044579 22.71760 
1 1 1   -6   28   16 f  105.503   18.219  240.464   67.057  251.534   88.581  225.606  102.628  109.969   23.503  101.037   27.845 8.931847 36.43819 
1 1 1   -6   29    1 o   42.980   9.5647   32.340   16.463   22.090   21.911   45.626   24.946   37.001   13.232   48.958   13.815 -11.95714 19.12938 
1 1 1   -6   29    3 o   78.080   15.315  124.200   43.873  112.980   61.921  135.510   62.171   74.551   21.994   81.610   21.320 -7.059113 30.63087 
1 1 1   -6   29    5 o   36.706   8.9810   22.489   14.673   30.435   19.302   11.614   22.582   40.552   12.354   32.859   13.039 7.693623 17.96210 
1 1 1   -6   29    7 o   64.678   11.217   81.782   25.421   84.641   34.692   78.467   37.358   66.071   15.175   63.284   16.524 2.787384 22.43493 
1 1 1   -6   29    9 o   91.201   13.569  161.676   41.021  184.365   68.740  149.128   51.121   95.173   20.998   87.228   17.193 7.945313 27.13881 
1 1 1   -5    0    1 o  215.075   11.157  831.089  118.455  831.089  118.455  831.089  118.455  215.075   15.778  215.075   15.778 -0.000000 0.000000 
1 1 1   -5    0    3 o  273.578   11.482  1337.46  155.742  1337.46  155.742  1337.46  155.742  273.578   16.238  273.578   16.238 -0.000000 0.000000 
1 1 1   -5    0    5 o  613.848   14.981  6690.93  458.427  6690.93  458.427  6690.93  458.427  613.848   21.187  613.848   21.187 -0.000000 0.000000 
1 1 1   -5    0    7 o  1111.77   22.252 21969.87  1234.31 21969.87  1234.31 21969.87  1234.31  1111.77   31.469  1111.77   31.469 -0.000000 0.000000 
1 1 1   -5    0    9 o  665.302   15.671  7866.44  519.832  7866.44  519.832  7866.44  519.832  665.302   22.162  665.302   22.162 -0.000000 0.000000 
1 1 1   -5    0   11 o  293.722   11.622  1541.24  169.414  1541.24  169.414  1541.24  169.414  293.722   16.437  293.722   16.437 -0.000000 0.000000 
1 1 1   -5    0   13 o   73.243   12.806  110.627   40.583  110.627   40.583  110.627   40.583   73.243   18.110   73.243   18.110 -0.000000 0.000000 
1 1 1   -5    0   19 o  746.596   23.855  9941.88  886.084  9941.88  886.084  9941.88  886.084  746.596   33.736  746.596   33.736 -0.000000 0.000000 
1 1 1   -5    0   21 o  517.484   19.669  4784.08  505.394  4784.08  505.394  4784.08  505.394  517.484   27.816  517.484   27.816 -0.000000 0.000000 
1 1 1   -5    0   23 o  719.867   23.345  9250.10  835.996  9250.10  835.996  9250.10  835.996  719.867   33.015  719.867   33.015 -0.000000 0.000000 
1 1 1   -5    0   25 o  1007.84   29.412 18175.88  1475.92 18175.88  1475.92 18175.88  1475.92  1007.84   41.595  1007.84   41.595 -0.000000 0.000000 
1 1 1   -5    0   27 o  573.983   13.707  5854.77  392.255  5854.77  392.255  5854.77  392.255  573.983   19.385  573.983   19.385 -0.000000 0.000000 
1 1 1   -5    0   29 o   94.998   8.9809  168.044   40.508  168.044   40.508  168.044   40.508   94.998   12.701   94.998   12.701 -0.000000 0.000000 
1 1 1   -5    0   31 o  110.642   13.601  235.897   68.406  235.897   68.406  235.897   68.406  110.642   19.234  110.642   19.234 -0.000000 0.000000 
1 1 1   -5    0   33 o  443.136   12.901  3508.45  284.651  3508.45  284.651  3508.45  284.651  443.136   18.244  443.136   18.244 -0.000000 0.000000 
1 1 1   -5    0   35 o   49.549   12.330   57.180   27.713   57.180   27.713   57.180   27.713   49.549   17.437   49.549   17.437 -0.000000 0.000000 
1 1 1   -5    0   37 o  193.542   16.331  697.935  152.047  697.935  152.047  697.935  152.047  193.542   23.096  193.542   23.096 -0.000000 0.000000 
1 1 1   -5    0   39 o   71.825   18.483  122.756   61.057  122.756   61.057  122.756   61.057   71.825   26.139   71.825   26.139 -0.000000 0.000000 
1 1 1   -5    0   41 o  236.721   16.399  1035.29  189.762  1035.29  189.762  1035.29  189.762  236.721   23.191  236.721   23.191 -0.000000 0.000000 
1 1 1   -5    1    2 o  876.029   18.519 13609.55  573.385 13504.31  810.891 13714.79  810.885  872.631   26.291  879.428   26.088 -6.797729 37.03796 
1 1 1   -5    1    4 o  435.444   12.844  3357.24  197.626  3441.36  279.492  3273.13  279.477  440.909   17.935  429.978   18.390 10.93097 25.68757 
1 1 1   -5    1    6 o  501.697   13.474  4458.96  238.859  4572.63  337.805  4345.29  337.791  508.107   18.810  495.286   19.296 12.82114 26.94739 
1 1 1   -5    1    8 o  1122.77   22.358 22462.79  887.196 22772.94  1254.69 22152.65  1254.68  1130.59   31.399  1114.96   31.839 15.63086 44.71664 
1 1 1   -5    1   10 o  316.359   16.478  1779.96  184.123  1856.41  260.425  1703.57  260.354  323.193   22.798  309.525   23.798 13.66855 32.95637 
1 1 1   -5    1   12 o  132.031   12.235  299.374   54.539  341.469   94.499  278.350   66.783  138.718   19.274  125.343   15.075 13.37489 24.46913 
1 1 1   -5    1   14 o  731.722   20.531  9614.50  498.066  9282.04  862.705  9780.71  609.994  721.212   33.844  742.232   23.252 -21.02032 41.06181 
1 1 1   -5    1   16 o  167.941   13.765  522.956   74.960  437.762  129.857  565.532   91.799  157.114   23.385  178.768   14.529 -21.65414 27.53048 
1 1 1   -5    1   20 o  414.826   17.850  3053.18  261.570  2935.62  369.918  3170.74  369.914  406.808   25.727  422.844   24.751 -16.03607 35.70062 
1 1 1   -5    1   22 o  496.370   19.089  4375.48  334.813  4491.79  473.519  4259.19  473.475  502.999   26.635  489.741   27.353 13.25800 38.17879 
1 1 1   -5    1   24 o  1664.02   45.241 50505.04  2660.58 49830.58  3762.63 51179.50  3762.63  1652.55   64.419  1675.49   63.537 -22.93555 90.48119 
1 1 1   -5    1   26 o  701.246   22.807  8735.12  565.285   0.0000   0.0000  8735.12  565.285  ?   ?   701.246   22.807      ?      ? 
1 1 1   -5    1   28 o  435.011   15.083  3306.46  220.347  3555.12  381.763  3182.23  269.830  446.658   24.182  423.364   18.033 23.29364 30.16553 
1 1 1   -5    1   30 o  396.146   15.233  2943.86  195.026  3202.40  238.906  2427.43  337.654  424.472   15.924  367.820   25.973 56.65240 30.46575 
1 1 1   -5    1   32 o  602.055   21.231  6498.52  451.784  6498.52  451.784   0.0000   0.0000  602.055   21.231  ?   ?       ?      ? 
1 1 1   -5    1   34 o  472.219   19.172  3998.83  319.989  3998.83  319.989   0.0000   0.0000  472.219   19.172  ?   ?       ?      ? 
1 1 1   -5    1   36 o  186.148   13.905  617.946   91.488  617.946   91.488   0.0000   0.0000  186.148   13.905  ?   ?       ?      ? 
1 1 1   -5    1   38 o  375.897   16.452  2532.57  218.578  2532.57  218.578   0.0000   0.0000  375.897   16.452  ?   ?       ?      ? 
1 1 1   -5    1   40 o  128.809   11.173  290.432   47.891  276.994   58.007  319.205   84.879  124.537   13.178  133.081   18.045 -8.543343 22.34504 
1 1 1   -5    1   42 o  512.508   14.382  4528.24  250.019  3945.60  305.908  5700.44  433.901  466.743   18.544  558.272   21.990 -91.52878 28.76494 
1 1 1   -5    1   44 o  274.705   11.300  1366.39  109.537  1277.79  154.770  1455.31  155.048  265.569   16.489  283.841   15.455 -18.27170 22.59953 
1 1 1   -5    2    1 o  813.389   17.643 11731.89  507.195 11670.34  717.277 11793.44  717.288  811.248   25.016  815.530   24.885 -4.281799 35.28510 
1 1 1   -5    2    3 o  417.045   12.653  3079.84  186.441  3171.19  263.673  2988.51  263.660  423.242   17.626  410.848   18.157 12.39337 25.30526 
1 1 1   -5    2    5 o  644.365   18.450  7315.10  397.466  7535.26  688.502  7205.05  486.770  651.150   29.916  637.580   21.601 13.56934 36.89933 
1 1 1   -5    2    7 o  435.394   18.110  3369.97  278.353  3561.79  393.682  3178.22  393.620  447.856   24.871  422.931   26.332 24.92477 36.22060 
1 1 1   -5    2    9 o  395.853   24.882  2786.93  348.123  2786.93  348.123   0.0000   0.0000  395.853   24.882  ?   ?       ?      ? 
1 1 1   -5    2   11 o  327.541   23.598  1908.04  273.186   0.0000   0.0000  1908.04  273.186  ?   ?   327.541   23.598      ?      ? 
1 1 1   -5    2   13 f  1387.63   38.470 34982.16  1886.71 34708.48  2668.24 35255.82  2668.17  1382.05   54.624  1393.21   54.185 -11.16101 76.93970 
1 1 1   -5    2   15 o  723.488   32.886  9319.75  840.937   0.0000   0.0000  9319.75  840.937  ?   ?   723.488   32.886      ?      ? 
1 1 1   -5    2   17 o  469.924   26.403  3918.39  438.526   0.0000   0.0000  3918.39  438.526  ?   ?   469.924   26.403      ?      ? 
1 1 1   -5    2   19 o  854.083   25.853 12987.91  780.404 13097.97  1103.73 12877.88  1103.58  857.728   36.408  850.438   36.715 7.289795 51.70597 
1 1 1   -5    2   21 o  724.196   32.886  9329.12  841.755  9329.12  841.755   0.0000   0.0000  724.196   32.886  ?   ?       ?      ? 
1 1 1   -5    2   23 f  879.193   26.789 13810.09  831.541 13070.87  1176.06 14549.12  1175.90  855.407   38.899  902.979   36.844 -47.57208 53.57815 
1 1 1   -5    2   25 o  785.004   23.924 11027.90  661.440 12087.90  935.576  9968.61  935.257  823.194   32.156  746.814   35.432 76.38037 47.84794 
1 1 1   -5    2   27 o  431.003   25.646  3309.05  390.684  3309.05  390.684   0.0000   0.0000  431.003   25.646  ?   ?       ?      ? 
1 1 1   -5    2   29 o  717.035   33.051  9270.21  837.627  9270.21  837.627   0.0000   0.0000  717.035   33.051  ?   ?       ?      ? 
1 1 1   -5    2   31 o  353.421   16.914  2225.27  211.279  2225.27  211.279   0.0000   0.0000  353.421   16.914  ?   ?       ?      ? 
1 1 1   -5    2   33 o  438.189   18.241  3434.47  282.502  3434.47  282.502   0.0000   0.0000  438.189   18.241  ?   ?       ?      ? 
1 1 1   -5    2   35 o  226.180   15.774  925.311  125.804  997.124  177.915  853.501  177.911  235.163   21.405  217.197   23.176 17.96588 31.54835 
1 1 1   -5    2   37 o  279.893   14.052  1428.51  130.205  1461.65  159.632  1362.63  225.062  285.803   15.803  273.983   23.241 11.82040 28.10483 
1 1 1   -5    2   39 o  403.319   14.590  3094.01  189.814  3374.42  232.673  2536.06  328.206  434.204   15.161  372.433   24.933 61.77121 29.18089 
1 1 1   -5    2   41 o  103.413   13.259  201.544   44.508  211.727   55.049  182.322   75.631  108.716   14.326   98.109   22.315 10.60773 26.51757 
1 1 1   -5    2   43 o  217.908   9.8124  853.187   75.471  904.435  106.797  802.064  106.666  224.551   13.456  211.264   14.285 13.28761 19.62481 
1 1 1   -5    2   45 o  103.369   16.628  194.527   60.752   0.0000   0.0000  194.527   60.752  ?   ?   103.369   16.628      ?      ? 
1 1 1   -5    3    2 o  430.899   17.930  3296.09  272.928  3416.63  386.068  3175.67  385.890  438.809   24.892  422.989   25.812 15.82043 35.85906 
1 1 1   -5    3    4 o  216.605   15.479  831.953  118.495  844.852  167.597  819.060  167.557  218.290   21.723  214.921   22.058 3.368820 30.95837 
1 1 1   -5    3    6 o  1169.11   33.042 24593.21  1365.05 24014.60  1930.46 25171.82  1930.48  1155.10   47.285  1183.11   46.166 -28.00525 66.08424 
1 1 1   -5    3    8 o  613.165   21.187  6705.93  459.137  6791.93  649.334  6619.94  649.300  617.133   29.769  609.197   30.156 7.935791 42.37421 
1 1 1   -5    3   10 o  787.905   24.536 11137.61  681.916 11938.14  964.433 10337.28  964.318  816.647   33.413  759.163   35.939 57.48462 49.07183 
1 1 1   -5    3   12 o  244.552   15.663  1068.06  134.204  1229.88  189.847  906.424  189.738  263.263   20.403  225.842   23.770 37.42090 31.32568 
1 1 1   -5    3   14 o  645.532   21.850  7420.56  498.091  7068.86  704.436  7772.21  704.378  630.119   31.630  660.946   30.152 -30.82745 43.69911 
1 1 1   -5    3   16 o  345.693   23.877  2119.10  291.732   0.0000   0.0000  2119.10  291.732  ?   ?   345.693   23.877      ?      ? 
1 1 1   -5    3   18 o  1312.82   36.694 30967.32  1698.29 28447.98  2401.78 33486.48  2401.69  1258.53   53.995  1367.11   49.704 -108.5872 73.38891 
1 1 1   -5    3   20 o  399.177   24.910  2826.11  351.446  2826.11  351.446   0.0000   0.0000  399.177   24.910  ?   ?       ?      ? 
1 1 1   -5    3   22 o  1212.38   48.033 26382.13  2058.25 26382.13  2058.25   0.0000   0.0000  1212.38   48.033  ?   ?       ?      ? 
1 1 1   -5    3   24 o  605.596   29.741  6527.82  636.587  6527.82  636.587   0.0000   0.0000  605.596   29.741  ?   ?       ?      ? 
1 1 1   -5    3   26 o  584.541   29.248  6092.91  604.278  6092.91  604.278   0.0000   0.0000  584.541   29.248  ?   ?       ?      ? 
1 1 1   -5    3   28 o  497.395   27.170  4422.62  477.647   0.0000   0.0000  4422.62  477.647  ?   ?   497.395   27.170      ?      ? 
1 1 1   -5    3   30 o  140.057   16.134  357.367   77.700  319.467  110.189  394.851  109.582  131.428   24.626  148.686   20.852 -17.25813 32.26839 
1 1 1   -5    3   32 o  598.362   30.057  6518.96  635.676   0.0000   0.0000  6518.96  635.676  ?   ?   598.362   30.057      ?      ? 
1 1 1   -5    3   34 o  251.786   14.312  1219.14  114.859  1362.31  140.822  934.598  198.523  276.461   14.412  227.110   24.732 49.35049 28.62433 
1 1 1   -5    3   36 o  367.416   15.464  2512.14  185.932  2649.91  227.834  2237.42  321.717  384.647   16.759  350.185   25.993 34.46274 30.92712 
1 1 1   -5    3   38 o  575.157   18.338  6148.65  347.669  6334.44  425.902  5777.56  601.911  592.206   20.348  558.108   30.514 34.09827 36.67582 
1 1 1   -5    3   40 f  145.561   13.348  368.761   65.970  335.757   81.158  433.039  113.260  136.641   16.805  154.481   20.743 -17.84030 26.69620 
1 1 1   -5    3   42 o  243.559   15.898  1088.13  136.756  1041.76  193.333  1134.56  193.471  238.172   22.966  248.946   21.988 -10.77399 31.79530 
1 1 1   -5    3   44 f   55.134   10.727   57.783   21.551   65.008   27.529   46.347   34.636   58.993   13.495   51.275   16.677 7.717953 21.45368 
1 1 1   -5    3   46 o  113.766   14.037  234.784   56.442   0.0000   0.0000  234.784   56.442  ?   ?   113.766   14.037      ?      ? 
1 1 1   -5    4    1 o   75.163   14.531  103.351   39.720  106.882   56.212   99.831   56.134   76.332   20.431   73.994   20.668 2.338135 29.06229 
1 1 1   -5    4    3 f  249.261   15.760  1102.86  138.799  1137.43  196.345  1068.33  196.239  253.182   21.941  245.340   22.631 7.842072 31.52096 
1 1 1   -5    4    5 o  788.996   24.550 11133.79  684.024 11657.98  967.411 10609.72  967.301  807.791   33.884  770.202   35.533 37.58905 49.09924 
1 1 1   -5    4    7 o  1184.28   33.519 25392.21  1402.67 26052.34  1983.71 24732.14  1983.63  1200.05   46.769  1168.51   48.030 31.53918 67.03897 
1 1 1   -5    4    9 o  305.688   16.432  1662.48  177.410  1589.39  250.887  1735.58  250.904  298.922   23.746  312.453   22.720 -13.53101 32.86459 
1 1 1   -5    4   11 o  352.241   17.020  2206.74  211.689  2096.54  299.373  2316.94  299.374  343.389   24.666  361.093   23.457 -17.70364 34.03922 
1 1 1   -5    4   13 o  208.372   15.489  771.849  113.691  699.105  160.781  844.599  160.788  198.494   22.917  218.249   20.844 -19.75549 30.97869 
1 1 1   -5    4   15 o  593.843   20.785  6265.15  436.247  6260.87  616.977  6269.44  616.915  593.638   29.405  594.047   29.382 -0.4085083 41.56911 
1 1 1   -5    4   17 o  755.815   33.766 10159.96  902.013 10159.96  902.013   0.0000   0.0000  755.815   33.766  ?   ?       ?      ? 
1 1 1   -5    4   19 o  792.692   24.557 11181.83  687.940 11383.20  972.982 10980.54  972.806  799.878   34.416  785.507   35.039 14.37097 49.11437 
1 1 1   -5    4   21 o  1299.37   50.916 30339.34  2338.33 30339.34  2338.33   0.0000   0.0000  1299.37   50.916  ?   ?       ?      ? 
1 1 1   -5    4   23 o  785.936   24.789 11024.18  688.249 10620.19  973.466 11427.95  973.198  771.396   35.705  800.477   34.398 -29.08075 49.57851 
1 1 1   -5    4   25 f   76.501   20.668  107.314   57.207   0.0000   0.0000  107.314   57.207  ?   ?    76.501   20.668      ?      ? 
1 1 1   -5    4   27 f  582.373   20.680  6063.60  425.659  6064.34  602.167  6062.85  601.781  582.407   29.253  582.339   29.238 0.6781006E-01 41.35910 
1 1 1   -5    4   29 o  417.394   18.753  3140.09  274.552  2701.91  388.412  3577.67  388.140  387.710   28.344  447.078   24.563 -59.36807 37.50667 
1 1 1   -5    4   31 o  529.000   20.182  5071.51  377.103  4868.26  533.486  5274.48  533.121  518.132   29.131  539.868   27.939 -21.73541 40.36406 
1 1 1   -5    4   33 o  313.451   23.571  1773.56  261.136   0.0000   0.0000  1773.56  261.136  ?   ?   313.451   23.571      ?      ? 
1 1 1   -5    4   35 o  198.814   13.182  726.427   86.259  759.385  105.852  661.279  148.823  206.300   14.517  191.329   22.007 14.97093 26.36424 
1 1 1   -5    4   37 o   84.187   12.538  134.872   35.133  147.029   43.616  112.413   59.286   90.783   13.593   77.592   21.073 13.19020 25.07696 
1 1 1   -5    4   39 o  492.439   19.754  4480.00  343.659  4629.28  485.931  4330.62  486.083  501.022   27.441  483.855   28.423 17.16660 39.50805 
1 1 1   -5    4   41 o  285.908   13.857  1476.40  132.376  1463.08  162.431  1502.75  228.427  285.190   16.114  286.626   22.548 -1.435791 27.71452 
1 1 1   -5    4   43 o   67.586   13.999   85.124   35.597   82.322   50.168   87.965   50.517   66.600   19.833   68.573   19.762 -1.972458 27.99802 
1 1 1   -5    4   45 o  222.266   22.671  925.135  178.104   0.0000   0.0000  925.135  178.104  ?   ?   222.266   22.671      ?      ? 
1 1 1   -5    4   47 o  144.668   22.060  401.161  112.795   0.0000   0.0000  401.161  112.795  ?   ?   144.668   22.060      ?      ? 
1 1 1   -5    5    2 o  787.272   34.842 11093.17  969.492 11093.17  969.492   0.0000   0.0000  787.272   34.842  ?   ?       ?      ? 
1 1 1   -5    5    4 o  110.802   15.693  225.903   59.311  217.219   83.927  234.567   83.830  108.571   22.606  113.033   21.773 -4.462875 31.38618 
1 1 1   -5    5    6 o  457.918   18.560  3735.45  300.345  3655.28  424.777  3815.59  424.727  452.965   26.532  462.871   25.961 -9.905975 37.12094 
1 1 1   -5    5    8 o  766.114   24.202 10509.30  655.335 10579.92  926.824 10438.70  926.744  768.721   34.112  763.507   34.342 5.214478 48.40466 
1 1 1   -5    5   10 o  237.096   15.568  1000.87  129.894  1108.11  183.781  893.817  183.616  249.882   20.809  224.310   23.160 25.57153 31.13507 
1 1 1   -5    5   14 o  663.655   22.046  7831.50  516.970  8043.17  731.150  7619.89  731.061  672.677   30.752  654.633   31.596 18.04486 44.09124 
1 1 1   -5    5   18 o  777.892   21.229 10755.61  549.918 10726.47  952.614 10770.17  673.464  776.435   34.713  779.348   24.449 -2.913025 42.45875 
1 1 1   -5    5   22 o  794.770   24.370 11212.21  684.557   0.0000   0.0000 11212.21  684.557  ?   ?   794.770   24.370      ?      ? 
1 1 1   -5    5   24 o  207.074   13.642  762.695   93.841  753.742  162.992  767.135  114.772  206.037   22.382  208.111   15.603 -2.073257 27.28411 
1 1 1   -5    5   26 o  403.879   17.448  2893.53  249.075   0.0000   0.0000  2893.53  249.075  ?   ?   403.879   17.448      ?      ? 
1 1 1   -5    5   28 o  426.874   17.596  3263.35  264.707  3551.65  374.665  2976.01  374.041  445.946   23.771  407.801   25.951 38.14459 35.19212 
1 1 1   -5    5   30 o   99.674   17.064  187.114   61.534  114.177   87.667  257.942   86.391   81.063   26.541  118.285   21.454 -37.22277 34.12786 
1 1 1   -5    5   32 o  628.167   21.022  7219.99  464.031  8091.01  656.535  6350.53  655.944  667.354   27.834  588.979   31.510 78.37476 42.04309 
1 1 1   -5    5   34 o  375.558   24.804  2559.65  329.244   0.0000   0.0000  2559.65  329.244  ?   ?   375.558   24.804      ?      ? 
1 1 1   -5    5   36 o   79.661   14.755  118.665   42.500  142.430   60.103   94.899   60.105   87.232   19.930   72.090   21.764 15.14243 29.51034 
1 1 1   -5    5   38 o  318.715   15.120  1862.24  166.410  2326.53  236.662  1408.18  234.040  359.434   18.629  277.995   23.819 81.43884 30.23916 
1 1 1   -5    5   40 o  200.686   15.396  733.886  109.153  706.983  154.270  760.855  154.460  196.893   22.168  204.480   21.372 -7.587341 30.79278 
1 1 1   -5    5   42 o  107.868   22.430  221.000   82.726   0.0000   0.0000  221.000   82.726  ?   ?   107.868   22.430      ?      ? 
1 1 1   -5    5   44 o  115.285   22.634  254.647   88.932   0.0000   0.0000  254.647   88.932  ?   ?   115.285   22.634      ?      ? 
1 1 1   -5    5   46 o   81.703   21.562  130.558   63.174   0.0000   0.0000  130.558   63.174  ?   ?    81.703   21.562      ?      ? 
1 1 1   -5    6    1 o  657.429   22.109  7728.75  513.275  7360.46  725.895  8097.02  725.865  641.579   32.011  673.278   30.503 -31.69879 44.21706 
1 1 1   -5    6    3 o  1108.04   31.725 22203.85  1241.94 22916.88  1756.45 21490.94  1756.29  1126.24   44.125  1089.83   45.595 36.40845 63.45011 
1 1 1   -5    6    5 o  405.784   17.785  2931.00  255.029  2865.42  360.715  2996.55  360.616  401.212   25.437  410.356   24.864 -9.144318 35.57036 
1 1 1   -5    6    7 o  504.130   19.255  4526.28  343.055  4604.89  485.209  4447.72  485.098  508.540   26.995  499.720   27.465 8.819885 38.51058 
1 1 1   -5    6    9 o  434.731   18.110  3360.37  278.164  3466.69  393.456  3254.14  393.310  441.647   25.206  427.815   26.011 13.83206 36.22033 
1 1 1   -5    6   11 o  887.527   37.693 14060.51  1182.39   0.0000   0.0000 14060.51  1182.39  ?   ?   887.527   37.693      ?      ? 
1 1 1   -5    6   13 o  990.177   28.273 17569.75  982.873 19884.76  1390.15 15255.76  1389.84  1056.31   37.235  924.044   42.555 132.2656 56.54527 
1 1 1   -5    6   15 o  175.935   21.428  548.426  133.243   0.0000   0.0000  548.426  133.243  ?   ?   175.935   21.428      ?      ? 
1 1 1   -5    6   17 o  682.155   18.778  8106.32  430.333  8733.73  745.538  7792.84  526.985  701.205   30.082  663.105   22.485 38.10040 37.55664 
1 1 1   -5    6   19 o  793.812   24.828 11178.50  696.581   0.0000   0.0000 11178.50  696.581  ?   ?   793.812   24.828      ?      ? 
1 1 1   -5    6   21 o  571.663   28.867  5809.98  583.265  5809.98  583.265   0.0000   0.0000  571.663   28.867  ?   ?       ?      ? 
1 1 1   -5    6   23 o  760.120   23.802 10262.29  639.462   0.0000   0.0000 10262.29  639.462  ?   ?   760.120   23.802      ?      ? 
1 1 1   -5    6   25 o  742.135   23.612  9795.93  619.359   0.0000   0.0000  9795.93  619.359  ?   ?   742.135   23.612      ?      ? 
1 1 1   -5    6   27 o  567.608   20.365  5733.72  408.558   0.0000   0.0000  5733.72  408.558  ?   ?   567.608   20.365      ?      ? 
1 1 1   -5    6   29 o  683.455   20.116  8515.74  454.889  8167.60  788.135  8689.64  557.036  670.291   33.267  696.619   22.624 -26.32745 40.23124 
1 1 1   -5    6   31 o  192.731   21.776  667.111  148.336   0.0000   0.0000  667.111  148.336  ?   ?   192.731   21.776      ?      ? 
1 1 1   -5    6   33 o  234.985   14.113  1010.94  113.161  1321.87  161.123  708.281  158.966  271.900   16.766  198.070   22.707 73.82932 28.22622 
1 1 1   -5    6   35 o  375.958   24.858  2572.20  330.317   0.0000   0.0000  2572.20  330.317  ?   ?   375.958   24.858      ?      ? 
1 1 1   -5    6   37 o   54.405   10.285   57.842   21.227   76.200   26.874   27.390   34.612   64.359   12.262   44.450   16.516 19.90960 20.57029 
1 1 1   -5    6   39 o  110.919   15.735  231.478   59.540  227.302   84.138  235.666   84.265  109.850   22.429  111.989   22.074 -2.139015 31.46940 
1 1 1   -5    6   41 o  176.267   21.823  568.311  135.961   0.0000   0.0000  568.311  135.961  ?   ?   176.267   21.823      ?      ? 
1 1 1   -5    6   43 o  218.862   22.481  886.780  173.904   0.0000   0.0000  886.780  173.904  ?   ?   218.862   22.481      ?      ? 
1 1 1   -5    6   45 o  231.707   22.908  1013.35  187.606   0.0000   0.0000  1013.35  187.606  ?   ?   231.707   22.908      ?      ? 
1 1 1   -5    6   47 o   4.8633   2.4160  -3.9700   1.6048   0.0000   0.0000  -3.9700   1.6048  ?   ?    4.8633   2.4160      ?      ? 
1 1 1   -5    7    4 o  828.582   36.037 12286.10  1055.38   0.0000   0.0000 12286.10  1055.38  ?   ?   828.582   36.037      ?      ? 
1 1 1   -5    7    6 o  962.843   28.495 16656.75  966.611 15139.49  1366.99 18174.04  1367.00  918.258   42.119  1007.43   38.391 -89.16986 56.99059 
1 1 1   -5    7    8 o  131.285   15.848  314.606   70.719  247.228  100.034  381.922   99.989  115.774   25.165  146.797   19.272 -31.02302 31.69639 
1 1 1   -5    7   10 o  587.316   18.307  6350.05  350.674  5505.31  607.500  6772.18  429.446  556.384   30.892  618.249   19.653 -61.86475 36.61382 
1 1 1   -5    7   12 o  1814.16   41.912 59508.79  2527.36 58911.08  4377.71 59807.61  3095.29  1800.96   68.774  1827.36   47.925 -26.39807 83.82477 
1 1 1   -5    7   14 o  449.533   17.849  3577.57  283.592   0.0000   0.0000  3577.57  283.592  ?   ?   449.533   17.849      ?      ? 
1 1 1   -5    7   16 o  640.085   16.402  6873.34  356.385  8680.94  617.654  5971.18  436.348  699.634   24.978  580.535   21.266 119.0989 32.80439 
1 1 1   -5    7   18 o  489.688   16.097  4152.95  265.305  4569.19  459.806  3945.22  324.830  507.445   25.637  471.932   19.474 35.51306 32.19457 
1 1 1   -5    7   20 o  966.260   28.316 16594.42  967.059   0.0000   0.0000 16594.42  967.059  ?   ?   966.260   28.316      ?      ? 
1 1 1   -5    7   22 f  552.791   14.807  5050.76  277.966  6866.96  482.000  4145.76  340.243  622.064   21.923  483.518   19.909 138.5455 29.61386 
1 1 1   -5    7   24 o  1078.84   30.975 20787.07  1181.09   0.0000   0.0000 20787.07  1181.09  ?   ?   1078.84   30.975      ?      ? 
1 1 1   -5    7   26 o  384.099   17.336  2619.73  235.354   0.0000   0.0000  2619.73  235.354  ?   ?   384.099   17.336      ?      ? 
1 1 1   -5    7   28 o  462.176   14.602  3648.69  228.577  4390.65  396.309  3278.84  279.806  495.380   22.635  428.972   18.455 66.40771 29.20462 
1 1 1   -5    7   30 f  623.502   17.142  6741.21  361.429  7899.96  626.343  6162.75  442.542  660.848   26.816  586.157   21.361 74.69086 34.28374 
1 1 1   -5    7   32 o  505.419   15.454  4415.09  264.299  5245.34  458.273  4001.31  323.524  538.561   24.075  472.278   19.382 66.28232 30.90725 
1 1 1   -5    7   34 o  428.076   17.731  3345.34  266.661  3759.70  377.409  2932.27  376.822  455.410   23.447  400.741   26.604 54.66852 35.46204 
1 1 1   -5    7   36 o  178.245   17.122  593.695  102.475  449.204  145.035  737.734  144.808  154.325   27.603  202.165   20.266 -47.83984 34.24389 
1 1 1   -5    7   38 o  301.591   16.495  1662.75  175.183  1503.23  247.689  1822.41  247.804  286.622   24.450  316.561   22.148 -29.93851 32.98977 
1 1 1   -5    7   40 o  230.333   22.479  970.617  182.999   0.0000   0.0000  970.617  182.999  ?   ?   230.333   22.479      ?      ? 
1 1 1   -5    7   42 f  250.168   22.898  1156.67  202.467   0.0000   0.0000  1156.67  202.467  ?   ?   250.168   22.898      ?      ? 
1 1 1   -5    7   44 o  164.192   21.951  503.177  127.385   0.0000   0.0000  503.177  127.385  ?   ?   164.192   21.951      ?      ? 
1 1 1   -5    7   46 o  156.070   22.181  467.119  122.356   0.0000   0.0000  467.119  122.356  ?   ?   156.070   22.181      ?      ? 
1 1 1   -5    7   48 o   60.195   19.233   70.147   46.208   0.0000   0.0000   70.147   46.208  ?   ?    60.195   19.233      ?      ? 
1 1 1   -5    8    1 o  722.417   32.891  9300.00  839.821  9300.00  839.821   0.0000   0.0000  722.417   32.891  ?   ?       ?      ? 
1 1 1   -5    8    3 f  185.762   21.587  611.985  141.730  611.985  141.730   0.0000   0.0000  185.762   21.587  ?   ?       ?      ? 
1 1 1   -5    8    5 o  222.387   21.965  877.029  172.651   0.0000   0.0000  877.029  172.651  ?   ?   222.387   21.965      ?      ? 
1 1 1   -5    8    7 o  597.553   29.490  6346.75  622.828   0.0000   0.0000  6346.75  622.828  ?   ?   597.553   29.490      ?      ? 
1 1 1   -5    8    9 o  1680.35   45.891 50538.03  2725.52   0.0000   0.0000 50538.03  2725.52  ?   ?   1680.35   45.891      ?      ? 
1 1 1   -5    8   11 o  860.018   23.962 13114.11  728.361   0.0000   0.0000 13114.11  728.361  ?   ?   860.018   23.962      ?      ? 
1 1 1   -5    8   13 o  1031.59   29.509 18898.04  1075.93   0.0000   0.0000 18898.04  1075.93  ?   ?   1031.59   29.509      ?      ? 
1 1 1   -5    8   15 o  1550.52   59.433 43348.04  3257.08   0.0000   0.0000 43348.04  3257.08  ?   ?   1550.52   59.433      ?      ? 
1 1 1   -5    8   17 o  1198.52   27.385 25058.97  1104.28 27460.18  1912.95 23858.91  1352.35  1239.09   43.680  1157.94   33.043 81.14905 54.77032 
1 1 1   -5    8   19 o  828.574   25.047 12247.49  733.077 12740.19  1037.00 11755.30  1036.46  845.388   34.706  811.761   36.125 33.62695 50.09472 
1 1 1   -5    8   21 o  112.764   12.756  229.841   46.352  226.725   80.753  231.372   56.605  111.203   21.322  114.325   14.009 -3.122482 25.51180 
1 1 1   -5    8   23 o  602.506   18.133  6373.47  366.214  6736.77  634.595  6192.08  448.414  614.564   29.215  590.448   21.487 24.11603 36.26604 
1 1 1   -5    8   25 o  722.995   19.983  9275.16  483.007  9589.00  836.808  9118.36  591.483  730.702   32.402  715.288   23.396 15.41425 39.96535 
1 1 1   -5    8   27 o   80.927   13.836  117.624   37.372  132.835   65.303  110.216   45.573   84.642   21.720   77.213   17.146 7.429794 27.67217 
1 1 1   -5    8   29 o  383.002   14.199  2544.60  183.516  2895.81  318.050  2369.31  224.693  401.607   22.407  364.397   17.446 37.20999 28.39740 
1 1 1   -5    8   31 o  404.496   17.853  2927.42  255.236   0.0000   0.0000  2927.42  255.236  ?   ?   404.496   17.853      ?      ? 
1 1 1   -5    8   33 o  348.477   14.864  2203.36  171.810  2147.47  297.595  2231.31  210.420  343.910   24.483  353.044   16.863 -9.134064 29.72830 
1 1 1   -5    8   35 o  350.752   17.223  2240.08  213.505  2217.95  301.903  2262.23  301.980  348.967   24.477  352.536   24.236 -3.568634 34.44563 
1 1 1   -5    8   37 o  278.654   16.065  1413.89  157.871  1307.47  223.168  1520.49  223.358  267.843   23.574  289.465   21.832 -21.62201 32.13010 
1 1 1   -5    8   39 o  167.033   14.230  511.399   82.585  405.695  116.645  617.640  116.941  149.088   22.136  184.978   17.887 -35.88940 28.45942 
1 1 1   -5    8   41 o  171.214   21.835  538.417  132.134   0.0000   0.0000  538.417  132.134  ?   ?   171.214   21.835      ?      ? 
1 1 1   -5    9    2 o  798.899   21.545 11314.32  574.135 11434.79  994.448 11254.09  703.162  801.329   35.112  796.469   24.978 4.859192 43.09005 
1 1 1   -5    9    4 o  298.630   15.136  1637.24  147.574  1425.51  255.567  1743.15  180.755  283.449   25.510  313.812   16.297 -30.36270 30.27114 
1 1 1   -5    9    6 o  367.037   17.859  2399.76  230.225  2092.13  325.710  2706.93  325.465  343.340   26.840  390.733   23.567 -47.39349 35.71829 
1 1 1   -5    9    8 o  706.492   22.244  8886.74  553.921  9646.73  783.592  8127.65  783.133  736.908   30.085  676.075   32.773 60.83258 44.48848 
1 1 1   -5    9   10 o  738.536   33.269  9698.89  868.435   0.0000   0.0000  9698.89  868.435  ?   ?   738.536   33.269      ?      ? 
1 1 1   -5    9   12 o  765.766   34.043 10430.49  921.386   0.0000   0.0000 10430.49  921.386  ?   ?   765.766   34.043      ?      ? 
1 1 1   -5    9   14 o  822.243   35.690 12037.58  1037.20   0.0000   0.0000 12037.58  1037.20  ?   ?   822.243   35.690      ?      ? 
1 1 1   -5    9   16 o  1617.61   61.981 47408.27  3543.67   0.0000   0.0000 47408.27  3543.67  ?   ?   1617.61   61.981      ?      ? 
1 1 1   -5    9   18 o  788.318   22.857 11523.27  586.005  9839.05  1014.99 12365.38  717.706  742.002   38.702  834.635   24.329 -92.63300 45.71415 
1 1 1   -5    9   20 o  1182.79   28.467 25140.20  1119.70 24903.33  1939.46 25258.63  1371.31  1175.69   46.673  1189.89   32.607 -14.19080 56.93493 
1 1 1   -5    9   22 o  219.469   15.416  863.573  117.804  691.987  166.267  1036.54  166.936  197.261   23.848  241.676   19.543 -44.41444 30.83250 
1 1 1   -5    9   24 o  885.358   23.814 14190.27  699.331 13811.04  1211.29 14379.87  856.497  873.706   39.225  897.010   27.015 -23.30341 47.62795 
1 1 1   -5    9   26 o  130.337   14.570  325.179   59.455  263.665  102.974  355.940   72.818  119.096   25.247  141.578   14.552 -22.48221 29.14034 
1 1 1   -5    9   28 o  366.411   14.480  2335.10  178.944  2631.19  309.959  2187.08  219.154  382.739   22.913  350.084   17.712 32.65521 28.96043 
1 1 1   -5    9   30 o  238.782   15.971  1031.09  133.968  902.759  189.460  1159.42  189.459  223.576   23.976  253.988   21.105 -30.41197 31.94134 
1 1 1   -5    9   32 o  213.688   13.492  833.340   95.201  781.681  164.666  859.277  116.678  207.982   22.400  219.393   15.047 -11.41077 26.98496 
1 1 1   -5    9   34 o  540.729   17.726  5513.59  312.263  4815.97  540.643  5862.81  382.518  510.621   29.957  570.837   18.959 -60.21619 35.45199 
1 1 1   -5    9   36 o  409.354   15.675  3103.39  211.044  2861.78  365.362  3224.37  258.537  395.028   26.168  423.680   17.265 -28.65268 31.35056 
1 1 1   -5    9   38 o  301.709   23.561  1666.70  251.246  1666.70  251.246   0.0000   0.0000  301.709   23.561  ?   ?       ?      ? 
1 1 1   -5    9   44 o  182.077   22.301  626.631  143.513   0.0000   0.0000  626.631  143.513  ?   ?   182.077   22.301      ?      ? 
1 1 1   -5    9   46 o  111.210   23.164  249.836   88.094   0.0000   0.0000  249.836   88.094  ?   ?   111.210   23.164      ?      ? 
1 1 1   -5   10    1 o  145.897   15.167  391.378   70.701  358.527  122.390  407.830   86.614  139.994   25.682  151.801   16.143 -11.80695 30.33411 
1 1 1   -5   10    3 o  497.850   16.861  4507.82  275.750  4076.19  477.524  4723.76  337.755  479.190   28.195  516.510   18.501 -37.32019 33.72301 
1 1 1   -5   10    5 o  476.358   17.682  4213.41  273.071  3521.50  472.874  4559.58  334.477  445.267   30.047  507.450   18.649 -62.18344 35.36411 
1 1 1   -5   10    7 o  665.595   15.890  7853.21  373.661  8102.15  528.396  7604.19  528.476  676.179   22.109  655.011   22.827 21.16754 31.77922 
1 1 1   -5   10    9 o  266.780   11.277  1260.14  106.253  1203.60  150.192  1316.79  150.336  260.779   16.295  272.782   15.593 -12.00375 22.55363 
1 1 1   -5   10   11 o  906.719   19.176 14599.29  613.988 13884.44  868.242 15314.37  868.378  884.409   27.776  929.028   26.446 -44.61865 38.35217 
1 1 1   -5   10   13 o  486.883   18.946  4207.89  326.033  4190.60  461.080  4225.18  461.081  485.878   26.849  487.888   26.739 -2.009460 37.89219 
1 1 1   -5   10   15 o  333.461   16.731  1972.73  197.171  2002.91  278.850  1942.56  278.833  336.021   23.479  330.901   23.841 5.119904 33.46149 
1 1 1   -5   10   17 o  540.602   19.866  5196.68  379.568  5160.72  536.798  5232.63  536.783  538.721   28.192  542.484   27.996 -3.763367 39.73102 
1 1 1   -5   10   19 o  375.918   24.477  2511.45  325.221   0.0000   0.0000  2511.45  325.221  ?   ?   375.918   24.477      ?      ? 
1 1 1   -5   10   21 o  467.901   19.017  3885.13  314.491   0.0000   0.0000  3885.13  314.491  ?   ?   467.901   19.017      ?      ? 
1 1 1   -5   10   23 o  544.686   19.124  5340.44  364.096  4433.83  514.506  6249.90  515.313  497.524   29.259  591.847   24.634 -94.32382 38.24823 
1 1 1   -5   10   25 o  556.936   20.428  5604.80  400.037  4961.52  565.723  6248.14  565.752  524.255   30.531  589.616   27.148 -65.36090 40.85522 
1 1 1   -5   10   27 f  459.765   17.045  3969.75  254.134  3351.36  439.993  4279.32  311.313  429.903   28.957  489.628   17.989 -59.72446 34.08995 
1 1 1   -5   10   29 o  450.710   16.506  3724.84  245.365  3486.29  424.799  3844.27  300.575  437.960   27.443  463.460   18.349 -25.50043 33.01221 
1 1 1   -5   10   31 o  405.909   15.694  3101.80  206.704  2630.05  357.711  3338.30  253.270  379.826   26.646  431.992   16.588 -52.16626 31.38710 
1 1 1   -5   10   33 o  191.682   14.099  672.013   92.948  494.753  130.792  852.878  132.115  165.270   22.391  218.094   17.139 -52.82460 28.19745 
1 1 1   -5   10   35 o  501.872   19.164  4632.34  339.483  4361.82  479.807  4903.52  480.398  486.615   27.897  517.130   26.283 -30.51416 38.32845 
1 1 1   -5   10   37 o  396.342   25.474  2890.54  356.845   0.0000   0.0000  2890.54  356.845  ?   ?   396.342   25.474      ?      ? 
1 1 1   -5   10   39 o   77.361   14.059  112.854   38.882   95.621   54.715  130.435   55.264   71.547   20.552   83.175   19.190 -11.62769 28.11772 
1 1 1   -5   10   41 o  345.196   24.699  2228.47  301.350   0.0000   0.0000  2228.47  301.350  ?   ?   345.196   24.699      ?      ? 
1 1 1   -5   10   45 o   81.187   21.709  131.552   63.501   0.0000   0.0000  131.552   63.501  ?   ?    81.187   21.709      ?      ? 
1 1 1   -5   11    2 o  596.193   14.932  6298.35  314.571  6460.97  444.819  6135.65  444.924  603.912   20.840  588.473   21.391 15.43896 29.86434 
1 1 1   -5   11    4 o  160.339   11.630  455.487   65.810  483.329   93.007  427.571   93.132  165.259   15.923  155.420   16.954 9.839233 23.25919 
1 1 1   -5   11    6 o  1004.04   20.614 17906.15  731.245 17329.87  1034.04 18482.63  1034.23  987.804   29.617  1020.29   28.680 -32.48279 41.22764 
1 1 1   -5   11    8 f  608.307   14.926  6556.79  320.877  6451.49  453.711  6662.17  453.867  603.408   21.274  613.206   20.941 -9.798462 29.85156 
1 1 1   -5   11   10 o  740.692   17.157  9730.78  449.123  9843.18  635.102  9618.33  635.211  744.986   24.120  736.397   24.405 8.589294 34.31313 
1 1 1   -5   11   12 o  1140.49   28.143 22772.87  1078.90 24696.99  1868.57 21810.60  1321.42  1174.24   45.023  1106.73   33.782 67.51709 56.28698 
1 1 1   -5   11   14 o  367.656   11.746  2395.35  152.450  2256.85  215.416  2534.32  215.779  356.980   17.073  378.332   16.137 -21.35153 23.49230 
1 1 1   -5   11   16 o  915.995   19.220 14926.66  621.648 14177.31  879.029 15676.40  879.256  892.845   27.855  939.146   26.489 -46.30182 38.43919 
1 1 1   -5   11   18 o  584.716   17.727  6020.96  346.914  5901.32  424.896  6260.19  600.831  576.640   20.848  592.792   28.677 -16.15204 35.45395 
1 1 1   -5   11   20 o  231.263   13.575  953.039  104.409  960.181  127.902  938.772  180.766  232.747   15.548  229.779   22.258 2.968155 27.15070 
1 1 1   -5   11   22 o  1003.88   29.666 18338.06  1052.40 17947.15  1488.34 18728.96  1488.31  992.858   42.412  1014.89   41.491 -22.03510 59.33219 
1 1 1   -5   11   24 o  156.144   21.345  435.567  117.797   0.0000   0.0000  435.567  117.797  ?   ?   156.144   21.345      ?      ? 
1 1 1   -5   11   26 o  101.504   16.060  183.560   57.616   0.0000   0.0000  183.560   57.616  ?   ?   101.504   16.060      ?      ? 
1 1 1   -5   11   28 o  332.151   16.461  1991.78  192.885  1849.37  272.323  2135.16  273.240  319.990   24.078  344.311   22.453 -24.32086 32.92269 
1 1 1   -5   11   30 o  786.426   36.081 11561.33  1002.91 11561.33  1002.91   0.0000   0.0000  786.426   36.081  ?   ?       ?      ? 
1 1 1   -5   11   32 o  651.167   21.626  7851.90  496.397  7210.87  701.521  8494.73  702.503  623.296   31.844  679.037   29.271 -55.74158 43.25289 
1 1 1   -5   11   34 o  186.684   13.198  625.944   82.312  632.242  141.907  622.751  101.048  186.827   21.490  186.540   15.326 0.2876587 26.39567 
1 1 1   -5   11   36 o  446.135   18.497  3669.86  291.447  3507.79  412.013  3832.17  412.323  435.856   26.745  456.413   25.560 -20.55701 36.99485 
1 1 1   -5   11   38 f  102.353   13.093  204.682   42.627  161.457   73.117  226.938   52.466   92.101   22.625  112.604   13.183 -20.50330 26.18523 
1 1 1   -5   11   40 o   60.468   12.850   66.951   29.941   54.827   42.007   79.472   42.687   55.857   18.376   65.079   17.967 -9.222359 25.70044 
1 1 1   -5   11   42 o  192.552   22.334  695.362  151.998   0.0000   0.0000  695.362  151.998  ?   ?   192.552   22.334      ?      ? 
1 1 1   -5   11   44 o  152.187   22.217  445.802  119.505   0.0000   0.0000  445.802  119.505  ?   ?   152.187   22.217      ?      ? 
1 1 1   -5   11   46 o   89.576   22.576  166.065   71.451   0.0000   0.0000  166.065   71.451  ?   ?    89.576   22.576      ?      ? 
1 1 1   -5   12    1 o  1290.76   25.117 29667.88  1145.88 29666.68  1620.43 29669.07  1620.60  1290.74   35.520  1290.79   35.522 -0.5139160E-01 50.23457 
1 1 1   -5   12    3 o  146.587   11.372  380.565   58.872  397.655   83.162  363.398   83.353  149.894   15.697  143.281   16.459 6.612442 22.74446 
1 1 1   -5   12    5 f  719.374   16.173  9175.68  411.166  9340.03  581.399  9011.24  581.555  725.840   22.663  712.908   23.080 12.93195 32.34642 
1 1 1   -5   12    7 o  295.027   11.580  1540.94  120.743  1560.96  170.664  1520.88  170.850  296.949   16.261  293.105   16.492 3.844086 23.16015 
1 1 1   -5   12    9 o  525.889   14.394  4903.76  267.332  5128.11  377.990  4679.23  378.138  537.964   19.880  513.814   20.822 24.15039 28.78814 
1 1 1   -5   12   11 o  170.441   9.7028  514.805   58.299  470.587   82.236  559.482   82.660  163.063   14.269  177.818   13.152 -14.75528 19.40559 
1 1 1   -5   12   13 f  665.294   19.386  8079.56  423.295  8479.88  518.461  7279.20  733.078  691.469   21.214  639.120   32.452 52.34924 38.77110 
1 1 1   -5   12   15 o  512.492   13.812  4658.06  250.173  4598.88  353.623  4717.35  353.972  509.222   19.648  515.761   19.418 -6.539001 27.62401 
1 1 1   -5   12   17 o  185.858   10.554  611.834   69.328  603.029   97.507  620.835   98.592  184.505   14.952  187.211   14.900 -2.705872 21.10888 
1 1 1   -5   12   19 o  239.675   10.240  1026.07   85.587  831.012  120.608  1223.94  121.474  216.485   15.763  262.864   13.075 -46.37932 20.47943 
1 1 1   -5   12   21 o  573.672   20.553  5922.64  414.917  5294.80  586.743  6550.65  586.819  542.704   30.589  604.640   27.459 -61.93646 41.10582 
1 1 1   -5   12   23 o  473.005   26.737  4025.70  446.995  4025.70  446.995   0.0000   0.0000  473.005   26.737  ?   ?       ?      ? 
1 1 1   -5   12   29 o  332.906   23.983  2008.86  282.197   0.0000   0.0000  2008.86  282.197  ?   ?   332.906   23.983      ?      ? 
1 1 1   -5   12   31 o  226.960   12.700  969.365   93.561  802.685  160.765  1054.73  115.052  210.698   21.588  243.222   13.384 -32.52460 25.39996 
1 1 1   -5   12   33 o   61.657   11.645   72.571   25.788   55.817   42.343   82.448   32.512   56.615   18.441   66.699   14.225 -10.08424 23.29029 
1 1 1   -5   12   35 o  345.223   14.728  2186.23  168.325  2093.32  290.955  2232.97  206.365  337.981   24.356  352.465   16.565 -14.48383 29.45578 
1 1 1   -5   12   37 o  122.357   13.607  272.070   54.529  286.392   93.522  264.694   67.118  123.402   22.261  121.313   15.654 2.089546 27.21401 
1 1 1   -5   12   39 o  266.832   14.152  1328.67  124.284  1229.38  214.817  1378.63  152.376  257.371   23.615  276.293   15.604 -18.92239 28.30455 
1 1 1   -5   12   41 o  163.781   21.961  501.079  127.128   0.0000   0.0000  501.079  127.128  ?   ?   163.781   21.961      ?      ? 
1 1 1   -5   12   43 o   83.826   21.831  139.107   65.319   0.0000   0.0000  139.107   65.319  ?   ?    83.826   21.831      ?      ? 
1 1 1   -5   12   45 o   61.841   19.522   74.408   47.719   0.0000   0.0000   74.408   47.719  ?   ?    61.841   19.522      ?      ? 
1 1 1   -5   13    2 o  722.494   16.656  9260.79  425.295  9392.10  601.382  9129.40  601.535  727.638   23.384  717.350   23.725 10.28821 33.31193 
1 1 1   -5   13    4 o  289.137   11.595  1480.32  118.472  1445.07  167.404  1515.70  167.685  285.682   16.579  292.592   16.215 -6.910828 23.19028 
1 1 1   -5   13    6 o  387.278   12.616  2657.11  172.640  2726.09  244.060  2588.04  244.240  392.321   17.601  382.235   18.079 10.08609 25.23153 
1 1 1   -5   13    8 o  366.803   12.527  2387.04  162.043  2569.41  229.074  2204.38  229.253  380.882   17.016  352.724   18.389 28.15735 25.05418 
1 1 1   -5   13   10 o  836.094   17.722 12419.58  523.494 12012.01  740.189 12827.47  740.475  822.297   25.468  849.890   24.651 -27.59314 35.44386 
1 1 1   -5   13   12 o  1186.97   28.814 25194.41  1140.57 25032.56  1396.92 25518.10  1975.48  1184.18   33.376  1189.76   46.978 -5.582764 57.62707 
1 1 1   -5   13   14 o  615.206   14.674  6719.81  318.897  6454.13  450.772  6986.01  451.206  602.976   21.151  627.435   20.346 -24.45819 29.34875 
1 1 1   -5   13   16 o  392.564   14.968  2765.13  194.911  2659.29  336.980  2818.35  238.934  386.480   24.669  398.648   16.958 -12.16800 29.93563 
1 1 1   -5   13   18 o  385.249   16.389  2659.64  220.983  2227.83  311.551  3096.84  313.491  353.349   24.946  417.150   21.262 -63.80109 32.77816 
1 1 1   -5   13   20 o   93.262   11.793  157.767   37.098   62.397   49.372  281.440   56.223   60.537   19.922  125.987   12.626 -65.45053 23.58633 
1 1 1   -5   13   22 o  482.417   18.883  4153.27  321.968  4153.27  321.968   0.0000   0.0000  482.417   18.883  ?   ?       ?      ? 
1 1 1   -5   13   24 o  468.141   26.733  3966.44  442.331  3966.44  442.331   0.0000   0.0000  468.141   26.733  ?   ?       ?      ? 
1 1 1   -5   13   26 o  527.824   13.518  4995.99  252.082  4827.48  356.264  5164.94  356.733  518.784   19.430  536.864   18.800 -18.07892 27.03615 
1 1 1   -5   13   28 o   98.328   13.097  172.799   42.339  164.475   51.859  189.438   73.320   95.966   15.289  100.690   21.269 -4.723274 26.19415 
1 1 1   -5   13   30 o  268.185   22.909  1304.38  217.149   0.0000   0.0000  1304.38  217.149  ?   ?   268.185   22.909      ?      ? 
1 1 1   -5   13   32 o  355.778   17.320  2273.25  217.798   0.0000   0.0000  2273.25  217.798  ?   ?   355.778   17.320      ?      ? 
1 1 1   -5   13   34 o  337.028   14.545  2093.94  161.885  1960.20  279.364  2161.56  198.634  327.147   24.161  346.908   16.200 -19.76050 29.08912 
1 1 1   -5   13   36 o  184.923   15.364  625.052  100.372  603.403  141.831  646.774  142.064  181.611   22.096  188.236   21.353 -6.625366 30.72747 
1 1 1   -5   13   38 o  118.169   15.291  261.132   62.475  243.429   88.203  278.956   88.502  112.942   22.880  123.397   20.292 -10.45509 30.58207 
1 1 1   -5   13   40 o  105.673   22.577  215.867   81.763   0.0000   0.0000  215.867   81.763  ?   ?   105.673   22.577      ?      ? 
1 1 1   -5   13   42 o  246.586   23.424  1171.66  204.147   0.0000   0.0000  1171.66  204.147  ?   ?   246.586   23.424      ?      ? 
1 1 1   -5   13   44 o  169.832   22.765  572.542  136.650   0.0000   0.0000  572.542  136.650  ?   ?   169.832   22.765      ?      ? 
1 1 1   -5   14    1 o  895.186   18.692 14242.06  591.404 14239.55  836.267 14244.57  836.477  895.108   26.433  895.265   26.435 -0.1571045 37.38358 
1 1 1   -5   14    3 o  625.050   15.486  6933.57  341.953  7184.64  483.519  6682.33  483.671  636.419   21.496  613.681   22.299 22.73792 30.97274 
1 1 1   -5   14    5 o  463.686   13.063  3810.57  214.060  3750.73  302.568  3870.53  302.885  460.032   18.609  467.340   18.337 -7.308411 26.12510 
1 1 1   -5   14    7 f  505.522   13.575  4531.28  242.525  4604.67  342.871  4457.80  343.094  509.632   19.035  501.411   19.360 8.220886 27.15016 
1 1 1   -5   14    9 o  508.378   13.012  4586.07  233.481  4308.20  330.014  4864.55  330.371  492.898   18.943  523.859   17.843 -30.96100 26.02343 
1 1 1   -5   14   11 o  163.493   21.350  474.580  123.375   0.0000   0.0000  474.580  123.375  ?   ?   163.493   21.350      ?      ? 
1 1 1   -5   14   13 o  351.618   16.632  2200.45  206.454  2069.20  290.945  2333.57  293.007  340.990   24.141  362.246   22.885 -21.25589 33.26409 
1 1 1   -5   14   15 o  328.570   15.818  1929.57  182.277  1647.59  256.677  2216.44  258.893  304.089   23.882  353.052   20.747 -48.96365 31.63525 
1 1 1   -5   14   17 o   85.865   15.541  134.878   45.429  134.878   45.429   0.0000   0.0000   85.865   15.541  ?   ?       ?      ? 
1 1 1   -5   14   19 o  263.819   11.090  1237.56  103.344  1184.27  145.781  1291.40  146.524  258.078   15.982  269.560   15.379 -11.48196 22.17975 
1 1 1   -5   14   21 o  247.927   10.881  1095.36   95.122  1004.63  134.120  1187.19  134.930  237.516   15.976  258.338   14.777 -20.82204 21.76281 
1 1 1   -5   14   23 o  193.374   10.258  667.318   69.763  587.589   98.143  748.750   99.185  181.592   15.291  205.156   13.679 -23.56490 20.51650 
1 1 1   -5   14   25 o  390.995   16.173  2781.47  220.298  2242.03  310.406  3328.92  312.704  351.701   24.971  430.290   20.561 -78.58871 32.34691 
1 1 1   -5   14   27 o  379.250   12.486  2579.91  167.234  2692.51  236.212  2466.75  236.799  387.677   17.239  370.822   18.067 16.85562 24.97219 
1 1 1   -5   14   29 o  173.415   10.266  536.995   62.808  494.144   87.813  581.878   89.871  166.280   14.942  180.551   14.083 -14.27126 20.53260 
1 1 1   -5   14   31 o   31.999   8.3201   14.394   11.901   14.542   14.626   14.103   20.472   30.654   10.827   33.344   12.636 -2.690001 16.64016 
1 1 1   -5   14   33 o  183.268   21.853  611.376  141.553   0.0000   0.0000  611.376  141.553  ?   ?   183.268   21.853      ?      ? 
1 1 1   -5   14   35 o  201.528   22.121  743.201  157.568   0.0000   0.0000  743.201  157.568  ?   ?   201.528   22.121      ?      ? 
1 1 1   -5   14   37 o  180.551   13.359  611.721   79.319  542.781  135.664  647.527   97.772  171.471   22.385  189.630   14.588 -18.16000 26.71864 
1 1 1   -5   14   39 o  119.463   15.011  258.728   63.381   0.0000   0.0000  258.728   63.381  ?   ?   119.463   15.011      ?      ? 
1 1 1   -5   14   41 o  265.525   23.733  1359.31  222.732   0.0000   0.0000  1359.31  222.732  ?   ?   265.525   23.733      ?      ? 
1 1 1   -5   14   43 o  128.409   23.503  335.294  102.738   0.0000   0.0000  335.294  102.738  ?   ?   128.409   23.503      ?      ? 
1 1 1   -5   15    2 o  212.461   11.108  799.701   83.405  787.561  117.799  811.905  118.106  210.841   15.808  214.082   15.609 -3.240540 22.21523 
1 1 1   -5   15    4 o  339.277   11.090  2041.23  132.779  1907.21  187.609  2175.73  187.946  328.081   16.179  350.472   15.173 -22.39136 22.18033 
1 1 1   -5   15    6 o  396.864   15.058  2825.99  198.078  2711.10  342.786  2883.58  242.700  390.403   24.842  403.325   17.025 -12.92279 30.11634 
1 1 1   -5   15    8 o  131.179   14.606  312.106   65.178  250.683   91.256  376.069   93.124  116.754   22.932  145.604   18.095 -28.85045 29.21196 
1 1 1   -5   15   10 o  207.590   22.206  766.364  162.928   0.0000   0.0000  766.364  162.928  ?   ?   207.590   22.206      ?      ? 
1 1 1   -5   15   12 o  486.659   15.954  4153.99  260.212  4024.65  318.379  4414.22  451.597  475.960   18.926  497.359   25.690 -21.39920 31.90845 
1 1 1   -5   15   14 o  295.925   11.708  1555.35  122.443  1576.16  172.787  1534.37  173.538  297.926   16.409  293.925   16.705 4.001312 23.41584 
1 1 1   -5   15   16 o   79.923   10.208  115.072   28.100   98.439   38.711  133.596   40.853   73.071   15.471   86.774   13.320 -13.70213 20.41513 
1 1 1   -5   15   18 o  131.902   10.419  309.159   48.553  296.443   67.901  322.464   69.453  129.120   14.879  134.684   14.590 -5.563553 20.83855 
1 1 1   -5   15   20 o  206.006   10.477  755.750   76.173  704.653  107.189  807.880  108.268  198.925   15.245  213.087   14.376 -14.16246 20.95427 
1 1 1   -5   15   22 o  318.317   14.219  1802.39  151.349  1770.41  185.367  1866.35  262.135  314.869   16.656  321.766   23.050 -6.897552 28.43810 
1 1 1   -5   15   24 o  383.368   15.347  2668.04  195.101  2704.49  238.954  2595.16  337.909  388.682   17.394  378.054   25.289 10.62805 30.69317 
1 1 1   -5   15   26 o  496.487   19.614  4516.20  344.069  4643.88  486.528  4388.47  486.647  503.767   27.325  489.207   28.145 14.55933 39.22741 
1 1 1   -5   15   28 o  272.551   10.737  1331.44  102.903  1171.27  144.763  1495.04  146.303  255.764   16.014  289.339   14.306 -33.57523 21.47359 
1 1 1   -5   15   30 o   78.402   10.964  112.723   29.185  102.117   39.070  126.114   43.899   74.194   15.403   82.610   15.607 -8.416138 21.92773 
1 1 1   -5   15   32 o  162.976   11.529  482.160   65.662  548.477   91.258  410.970   94.551  174.960   14.757  150.993   17.717 23.96724 23.05807 
1 1 1   -5   15   34 o  272.354   16.444  1363.18  158.265  1390.45  223.715  1335.86  223.927  275.195   23.000  269.513   23.507 5.682037 32.88792 
1 1 1   -5   15   36 o  208.503   22.322  802.750  164.502   0.0000   0.0000  802.750  164.502  ?   ?   208.503   22.322      ?      ? 
1 1 1   -5   15   38 o  115.699   16.372  243.886   66.952   0.0000   0.0000  243.886   66.952  ?   ?   115.699   16.372      ?      ? 
1 1 1   -5   15   40 o  178.206   22.435  606.773  141.310   0.0000   0.0000  606.773  141.310  ?   ?   178.206   22.435      ?      ? 
1 1 1   -5   15   42 o   45.092   16.109   33.817   32.467   0.0000   0.0000   33.817   32.467  ?   ?    45.092   16.109      ?      ? 
1 1 1   -5   16    1 o  308.469   23.290  1693.83  253.928   0.0000   0.0000  1693.83  253.928  ?   ?   308.469   23.290      ?      ? 
1 1 1   -5   16    3 o  508.190   27.442  4610.44  492.899   0.0000   0.0000  4610.44  492.899  ?   ?   508.190   27.442      ?      ? 
1 1 1   -5   16    5 o  366.888   17.000  2398.79  220.331  2304.09  311.160  2494.02  312.032  359.568   24.484  374.207   23.592 -14.63895 34.00083 
1 1 1   -5   16    7 o  205.321   12.947  733.568   89.178  702.522  108.958  796.567  155.210  199.021   15.490  211.621   20.751 -12.59964 25.89472 
1 1 1   -5   16    9 o  478.065   16.148  4008.58  259.181  4282.80  448.617  3871.20  317.535  489.541   25.928  466.589   19.255 22.95261 32.29546 
1 1 1   -5   16   11 o  459.700   12.300  3761.31  199.411  3472.78  281.694  4051.14  282.325  441.905   18.036  477.495   16.729 -35.59006 24.59933 
1 1 1   -5   16   13 o  554.144   13.575  5475.08  265.668  5224.88  375.448  5725.98  375.975  541.355   19.622  566.933   18.763 -25.57806 27.14937 
1 1 1   -5   16   15 o  101.198   11.535  186.080   40.048  204.969   55.812  166.033   57.498  107.380   14.706   95.016   17.775 12.36423 23.06931 
1 1 1   -5   16   17 o  233.830   10.580  974.092   87.239  895.385  122.908  1054.01  123.848  224.240   15.508  243.420   14.395 -19.18045 21.15907 
1 1 1   -5   16   19 o   64.753   12.292   79.920   28.216   88.974   34.585   61.898   48.795   69.412   14.562   60.094   19.807 9.318050 24.58371 
1 1 1   -5   16   21 o  335.268   11.886  2009.12  140.838  1988.56  198.793  2029.85  199.560  333.533   16.863  337.003   16.754 -3.469299 23.77111 
1 1 1   -5   16   23 o  294.743   11.433  1553.29  119.088  1520.65  167.986  1586.26  168.848  291.603   16.299  297.883   16.037 -6.280304 22.86590 
1 1 1   -5   16   25 o  392.625   14.956  2746.72  196.315  2671.47  239.932  2899.13  341.466  385.894   17.591  399.357   24.192 -13.46262 29.91143 
1 1 1   -5   16   27 o  371.184   12.212  2473.26  160.188  2505.95  225.951  2440.22  227.132  373.705   17.107  368.664   17.431 5.040283 24.42305 
1 1 1   -5   16   29 o  117.850   9.2888  246.742   38.138  193.903   51.988  308.317   56.121  104.159   14.122  131.541   12.071 -27.38185 18.57765 
1 1 1   -5   16   31 o  252.375   12.094  1153.57  107.129  1289.91  150.184  1012.34  152.859  267.975   15.857  236.774   18.266 31.20091 24.18816 
1 1 1   -5   16   33 o  186.515   9.9345  624.853   64.674  503.014   89.580  757.502   93.470  167.270   15.152  205.759   12.853 -38.48882 19.86895 
1 1 1   -5   16   35 o   58.930   18.498   62.954   42.903   0.0000   0.0000   62.954   42.903  ?   ?    58.930   18.498      ?      ? 
1 1 1   -5   16   37 o  258.197   16.112  1252.08  146.594  1145.53  207.138  1359.00  207.493  246.514   23.774  269.880   21.753 -23.36572 32.22377 
1 1 1   -5   16   39 o  107.820   22.928  229.948   84.687   0.0000   0.0000  229.948   84.687  ?   ?   107.820   22.928      ?      ? 
1 1 1   -5   17    2 o  257.214   15.928  1174.95  144.804  1174.95  144.804   0.0000   0.0000  257.214   15.928  ?   ?       ?      ? 
1 1 1   -5   17    4 o   94.904   15.448  167.259   50.858  147.916   71.946  186.578   71.902   89.327   22.731  100.480   20.926 -11.15257 30.89678 
1 1 1   -5   17    6 o  198.524   15.416  703.531  108.155  689.661  152.978  717.393  152.931  196.548   22.021  200.501   21.580 -3.952789 30.83258 
1 1 1   -5   17    8 o  600.218   18.482  6366.22  372.169  6784.30  644.445  6157.02  455.873  613.417   29.724  587.019   21.972 26.39899 36.96349 
1 1 1   -5   17   10 o  454.309   18.594  3711.61  298.554  3745.35  422.254  3677.88  422.185  456.409   26.176  452.209   26.415 4.200928 37.18736 
1 1 1   -5   17   12 o  517.053   14.183  4784.18  258.773  5094.86  365.819  4473.01  366.103  534.069   19.380  500.037   20.715 34.03247 28.36684 
1 1 1   -5   17   14 o  354.786   12.436  2248.12  155.784  2360.03  220.035  2135.65  220.590  363.737   17.115  345.835   18.047 17.90277 24.87198 
1 1 1   -5   17   16 o  221.111   12.222  880.623   94.331  1034.06  133.044  725.515  133.769  240.857   15.628  201.364   18.795 39.49271 24.44411 
1 1 1   -5   17   18 o  181.452   13.423  598.390   80.490  614.683   98.601  565.843  139.355  185.680   15.024  177.224   22.247 8.455612 26.84546 
1 1 1   -5   17   20 o  222.269   11.207  883.343   87.945  925.099  123.954  841.017  124.797  227.628   15.407  216.909   16.278 10.71936 22.41315 
1 1 1   -5   17   22 o  242.324   10.112  1052.57   85.765  878.108  120.442  1232.03  122.157  221.678   15.372  262.969   13.143 -41.29073 20.22478 
1 1 1   -5   17   24 o  494.904   12.988  4408.05  226.667  4061.49  320.130  4756.46  320.983  475.049   19.066  514.758   17.642 -39.70853 25.97654 
1 1 1   -5   17   26 o  386.202   19.715  2765.43  266.093  3206.30  375.020  2318.43  377.619  418.779   25.337  353.625   30.213 65.15427 39.43042 
1 1 1   -5   17   28 o  284.784   10.673  1455.62  106.885  1277.40  149.989  1639.52  152.354  266.826   15.904  302.742   14.238 -35.91577 21.34656 
1 1 1   -5   17   30 o  309.566   14.676  1761.01  150.253  1797.50  184.028  1688.05  260.226  316.044   16.475  303.087   24.292 12.95728 29.35154 
1 1 1   -5   17   32 o  127.892   9.9205  291.254   43.974  219.607   59.438  377.886   65.359  110.476   15.222  145.309   12.726 -34.83377 19.84107 
1 1 1   -5   17   34 o  231.002   13.867  1010.60  105.545  875.854  178.379  1083.19  130.923  217.090   23.248  244.914   15.124 -27.82417 27.73478 
1 1 1   -5   17   36 o  116.375   29.506  274.196  121.532   0.0000   0.0000  274.196  121.532  ?   ?   116.375   29.506      ?      ? 
1 1 1   -5   18    1 o   55.051   10.778   55.470   21.986   67.050   30.795   43.431   31.400   60.226   14.615   49.877   15.846 10.34941 21.55672 
1 1 1   -5   18    3 o  203.858   11.478  741.793   82.370  817.216  116.396  666.130  116.582  214.343   15.364  193.372   17.058 20.97125 22.95683 
1 1 1   -5   18    5 o  316.148   12.148  1784.15  135.405  1928.06  191.408  1639.98  191.574  329.040   16.459  303.257   17.873 25.78329 24.29696 
1 1 1   -5   18    7 o  168.164   13.239  508.185   73.901  514.572   90.516  495.417  127.980  170.066   15.059  166.263   21.778 3.803040 26.47767 
1 1 1   -5   18    9 o  486.167   19.147  4274.82  328.885  4408.06  465.165  4141.63  465.064  493.918   26.646  478.415   27.503 15.50323 38.29421 
1 1 1   -5   18   11 o  303.525   16.505  1658.24  177.034  1694.03  250.402  1622.48  250.326  306.858   23.088  300.191   23.593 6.667450 33.01031 
1 1 1   -5   18   13 o  180.202   15.200  584.525   96.530  635.731  136.595  533.441  136.433  188.231   20.532  172.174   22.420 16.05669 30.40054 
1 1 1   -5   18   15 o  100.207   13.857  180.888   45.601  204.912   77.452  168.142   56.415  104.869   21.615   95.545   17.344 9.324203 27.71329 
1 1 1   -5   18   17 o  129.791   11.288  302.383   51.494  333.969   72.166  269.619   73.500  136.818   14.923  122.765   16.939 14.05328 22.57533 
1 1 1   -5   18   19 o  212.613   11.046  808.501   82.932  842.479  116.787  773.940  117.786  217.183   15.214  208.042   16.019 9.141037 22.09228 
1 1 1   -5   18   21 o   90.113   11.174  147.842   34.725  152.118   47.790  143.059   50.543   92.291   14.651   87.934   16.876 4.356926 22.34812 
1 1 1   -5   18   23 o  202.630   11.736  742.209   83.106  860.832  116.846  620.765  118.227  219.407   15.068  185.853   17.998 33.55392 23.47260 
1 1 1   -5   18   25 o   56.725   11.218   59.947   23.722   71.436   31.873   45.681   35.518   61.980   14.761   51.469   16.896 10.51132 22.43558 
1 1 1   -5   18   27 o   97.976   14.234  180.247   46.667  177.247   74.702  182.167   59.764   96.805   22.293   99.147   17.704 -2.342224 28.46805 
1 1 1   -5   18   29 o  331.243   14.659  1987.10  161.949  1965.60  198.314  2030.14  280.594  330.164   16.994  332.322   23.889 -2.158478 29.31712 
1 1 1   -5   18   31 o   63.379   13.424   73.783   32.215   76.039   49.079   72.075   42.703   64.381   19.715   62.377   18.225 2.003529 26.84886 
1 1 1   -5   18   33 o  310.281   24.043  1800.12  263.671  1800.12  263.671   0.0000   0.0000  310.281   24.043  ?   ?       ?      ? 
1 1 1   -5   18   35 o   43.337   13.674   33.649   23.413   33.649   23.413   0.0000   0.0000   43.337   13.674  ?   ?       ?      ? 
1 1 1   -5   18   37 o  122.044   23.186  295.489   96.357   0.0000   0.0000  295.489   96.357  ?   ?   122.044   23.186      ?      ? 
1 1 1   -5   18   39 o  109.191   23.386  245.281   87.535   0.0000   0.0000  245.281   87.535  ?   ?   109.191   23.386      ?      ? 
1 1 1   -5   19    2 o   95.972   11.717  168.532   38.398  198.336   54.155  138.398   54.453  105.556   14.516   86.389   18.398 19.16684 23.43458 
1 1 1   -5   19    4 o  201.095   11.249  721.609   79.855  761.524  112.774  681.469  113.090  206.729   15.434  195.461   16.370 11.26831 22.49868 
1 1 1   -5   19    6 o  250.240   11.434  1118.03  100.990  1183.22  142.677  1052.56  142.967  257.629   15.669  242.852   16.656 14.77739 22.86794 
1 1 1   -5   19    8 o  307.764   16.570  1708.10  180.201  1749.06  254.886  1667.16  254.801  311.527   23.149  304.000   23.714 7.527374 33.13950 
1 1 1   -5   19   10 o  240.351   10.991  1030.49   93.360  1015.89  131.801  1045.19  132.261  238.630   15.627  242.071   15.459 -3.440872 21.98105 
1 1 1   -5   19   12 o  364.685   11.971  2378.07  154.305  2378.30  217.928  2377.84  218.513  364.708   16.906  364.661   16.954 0.4736328E-01 23.94270 
1 1 1   -5   19   14 o  327.270   14.954  1973.96  160.797  2059.26  196.953  1803.45  278.461  339.364   16.420  315.176   24.997 24.18796 29.90785 
1 1 1   -5   19   16 o  246.547   15.911  1099.80  138.562  1143.80  196.009  1055.85  195.904  251.592   22.042  241.502   22.951 10.08989 31.82163 
1 1 1   -5   19   18 o  353.748   17.158  2279.09  213.899  2475.54  302.579  2082.85  302.418  369.450   23.172  338.047   25.311 31.40298 34.31603 
1 1 1   -5   19   20 o  426.830   15.217  3261.68  217.571  3406.43  375.962  3188.79  266.783  432.347   24.603  421.313   17.916 11.03415 30.43500 
1 1 1   -5   19   22 o  179.827   10.856  578.978   68.967  586.654   96.528  570.974   98.574  181.085   15.082  178.570   15.618 2.515198 21.71150 
1 1 1   -5   19   24 o  171.362   11.081  526.941   67.061  538.587   93.733  514.728   95.985  173.362   15.297  169.363   16.035 3.999191 22.16146 
1 1 1   -5   19   26 o  293.494   17.203  1583.77  178.184  1630.14  247.828  1534.16  256.369  298.314   23.505  288.674   25.127 9.640289 34.40685 
1 1 1   -5   19   28 f  165.230   14.449  478.239   82.131  351.469  106.066  668.073  129.794  138.628   21.647  191.831   19.143 -53.20401 28.89773 
1 1 1   -5   19   30 o  124.975   15.170  281.609   67.007  281.609   67.007   0.0000   0.0000  124.975   15.170  ?   ?       ?      ? 
1 1 1   -5   19   32 o  356.588   11.852  2314.48  149.222  2176.89  209.285  2456.75  212.823  345.575   17.135  367.601   16.380 -22.02573 23.70463 
1 1 1   -5   19   34 o   37.332   9.2974   22.463   15.514   29.177   19.475   10.801   25.667   40.218   12.436   34.446   13.824 5.771931 18.59478 
1 1 1   -5   19   36 o   31.036   8.6573   10.170   14.000   8.1247   19.303   12.440   20.337   29.859   11.986   32.212   12.495 -2.352982 17.31452 
1 1 1   -5   19   38 o   44.369   16.048   32.371   32.330   0.0000   0.0000   32.371   32.330  ?   ?    44.369   16.048      ?      ? 
1 1 1   -5   20    1 o  286.690   11.396  1467.99  115.472  1463.88  163.192  1472.12  163.411  286.286   16.128  287.095   16.104 -0.8090515 22.79152 
1 1 1   -5   20    3 o  362.455   12.348  2352.72  157.987  2485.83  223.343  2219.42  223.512  372.854   16.948  352.055   17.963 20.79953 24.69584 
1 1 1   -5   20    5 o  141.069   10.052  356.249   49.723  303.966   70.109  409.163   70.531  130.523   15.197  151.614   13.162 -21.09146 20.10451 
1 1 1   -5   20    7 o  372.604   15.145  2526.78  186.877  2426.36  323.403  2577.12  228.975  365.685   25.022  379.524   17.070 -13.83838 30.28964 
1 1 1   -5   20    9 o  348.809   12.106  2177.98  149.238  2201.66  210.869  2154.22  211.241  350.737   17.010  346.881   17.230 3.856171 24.21178 
1 1 1   -5   20   11 o  131.900   11.034  311.632   51.282  337.533   72.216  285.285   72.835  137.510   14.859  126.290   16.317 11.21973 22.06874 
1 1 1   -5   20   13 o  274.802   11.548  1352.76  112.022  1426.46  158.087  1278.43  158.762  282.430   15.837  267.175   16.812 15.25552 23.09676 
1 1 1   -5   20   15 o  310.723   11.693  1730.11  128.337  1794.35  181.235  1665.51  181.757  316.595   16.196  304.851   16.869 11.74445 23.38539 
1 1 1   -5   20   17 o  212.897   10.789  810.614   81.179  809.545  114.314  811.700  115.301  212.764   15.201  213.029   15.314 -0.2643738 21.57736 
1 1 1   -5   20   19 o  117.804   13.373  254.342   50.875  255.415   62.263  252.185   88.249  119.522   14.739  116.087   22.319 3.435394 26.74648 
1 1 1   -5   20   21 o  249.747   22.712  1135.16  200.480   0.0000   0.0000  1135.16  200.480  ?   ?   249.747   22.712      ?      ? 
1 1 1   -5   20   25 o  221.096   23.417  897.215  182.994   0.0000   0.0000  897.215  182.994  ?   ?   221.096   23.417      ?      ? 
1 1 1   -5   20   27 o  267.697   14.275  1309.29  130.046  887.277  176.911  1805.41  191.817  219.510   22.802  315.885   17.181 -96.37479 28.55037 
1 1 1   -5   20   29 o  150.087   10.693  403.151   56.468  366.497   75.720  449.074   84.756  142.487   15.035  157.687   15.207 -15.19942 21.38524 
1 1 1   -5   20   31 o  240.412   11.289  1050.79   95.877  1010.91  133.342  1093.48  137.955  235.675   16.008  245.149   15.922 -9.473663 22.57769 
1 1 1   -5   20   33 o  233.501   14.355  1003.91  113.697  1097.41  192.698  953.972  140.821  239.930   22.723  227.072   17.546 12.85822 28.70925 
1 1 1   -5   20   35 o  203.486   16.294  812.422  117.072  774.832  165.510  850.061  165.619  198.264   23.619  208.709   22.452 -10.44533 32.58736 
1 1 1   -5   21    2 o   60.016   10.926   66.812   24.143   90.818   33.936   42.211   34.354   70.123   14.180   49.909   16.628 20.21417 21.85291 
1 1 1   -5   21    4 o  153.449   10.473  420.587   56.751  399.171   80.082  442.191   80.435  149.487   15.157  157.412   14.457 -7.925079 20.94636 
1 1 1   -5   21    6 o  101.264   14.535  191.558   48.363  178.337   83.241  198.295   59.421   97.236   24.291  105.292   15.967 -8.056557 29.06907 
1 1 1   -5   21    8 o  119.502   10.012  254.834   42.209  234.579   59.122  275.889   60.280  114.623   14.593  124.381   13.712 -9.757973 20.02456 
1 1 1   -5   21   10 o  185.130   10.547  612.425   69.005  619.911   97.311  604.854   97.868  186.286   14.779  183.973   15.051 2.312775 21.09418 
1 1 1   -5   21   12 o  248.936   11.504  1111.66  100.992  1193.07  142.572  1029.67  143.078  258.228   15.621  239.645   16.892 18.58293 23.00785 
1 1 1   -5   21   14 o  306.399   11.560  1682.44  125.170  1646.67  176.693  1718.48  177.342  303.091   16.494  309.707   16.201 -6.615448 23.11978 
1 1 1   -5   21   16 o  238.494   13.472  1068.35  104.546  904.803  180.039  1151.55  128.415  223.131   22.829  253.857   14.312 -30.72603 26.94438 
1 1 1   -5   21   18 o  310.517   16.370  1756.92  179.472  1653.61  251.974  1863.30  255.689  301.034   23.682  319.999   22.607 -18.96497 32.74015 
1 1 1   -5   21   20 o  285.276   14.454  1498.54  140.593  1041.76  196.080  1981.86  201.695  238.757   23.236  331.796   17.199 -93.03857 28.90865 
1 1 1   -5   21   22 o  251.192   13.014  1100.06  109.492  1019.92  132.876  1269.56  193.255  238.210   15.782  264.175   20.698 -25.96581 26.02817 
1 1 1   -5   21   24 o  429.555   15.686  3330.18  225.859  3218.78  276.609  3553.02  391.232  421.268   18.578  437.842   25.281 -16.57455 31.37291 
1 1 1   -5   21   26 o  156.120   15.569  450.082   85.605  408.752  121.148  491.298  120.981  148.635   23.061  163.604   20.922 -14.96864 31.13725 
1 1 1   -5   21   28 o  114.801   22.733  252.839   88.978   0.0000   0.0000  252.839   88.978  ?   ?   114.801   22.733      ?      ? 
1 1 1   -5   21   30 o  173.165   13.025  558.368   76.503  533.340  125.480  573.175   96.516  168.945   21.014  177.384   15.394 -8.439087 26.04951 
1 1 1   -5   21   32 o  330.733   12.353  2034.73  144.342  2062.57  202.298  2005.86  206.013  333.316   17.172  328.150   17.762 5.165985 24.70575 
1 1 1   -5   21   34 o  155.728   11.244  451.338   61.747  426.458   83.953  480.655   91.135  151.171   15.713  160.285   16.087 -9.114059 22.48719 
1 1 1   -5   22    1 o  341.605   11.737  2092.85  141.538  1972.69  199.977  2213.47  200.354  331.638   17.061  351.572   16.124 -19.93402 23.47421 
1 1 1   -5   22    3 o   65.281   10.506   79.188   23.695   81.148   33.217   77.157   33.811   66.134   14.601   64.428   15.109 1.705894 21.01173 
1 1 1   -5   22    5 o  146.070   10.342  381.568   53.327  402.399   75.307  360.617   75.525  150.119   14.193  142.021   15.046 8.097672 20.68397 
1 1 1   -5   22    7 o  102.218   13.408  193.488   44.432  197.287   54.391  185.868   77.035  105.071   14.646   99.365   22.462 5.705284 26.81555 
1 1 1   -5   22    9 o  116.840   10.278  244.110   42.330  221.802   59.383  267.155   60.357  111.359   15.087  122.321   13.961 -10.96109 20.55552 
1 1 1   -5   22   11 o   81.910   12.827  126.372   35.547  109.906   59.533  135.496   44.314   76.747   21.231   87.074   14.399 -10.32705 25.65318 
1 1 1   -5   22   13 o  341.095   17.163  2123.97  206.910  2110.97  291.445  2137.19  293.800  340.053   24.249  342.137   24.296 -2.084167 34.32621 
1 1 1   -5   22   15 o  201.827   16.575  747.077  117.539  828.944  165.091  662.922  167.383  213.510   21.877  190.144   24.906 23.36516 33.14994 
1 1 1   -5   22   17 o  205.927   11.971  711.906   82.855  609.659  100.098  934.419  147.664  184.350   15.362  227.504   18.364 -43.15410 23.94241 
1 1 1   -5   22   19 o  130.182   10.626  304.062   48.858  302.048   67.731  306.247   70.546  129.767   14.767  130.597   15.283 -0.8304749 21.25226 
1 1 1   -5   22   21 o  173.029   10.376  537.197   63.336  492.858   88.220  584.360   90.986  165.592   15.073  180.467   14.265 -14.87569 20.75281 
1 1 1   -5   22   23 o  200.771   10.429  725.366   73.600  629.078  102.289  828.732  105.982  186.769   15.495  214.773   13.961 -28.00476 20.85742 
1 1 1   -5   22   25 o  211.860   13.178  798.106   94.051  750.137  115.169  894.145  162.959  203.479   16.014  220.242   20.934 -16.76315 26.35695 
1 1 1   -5   22   27 o  236.750   11.528  1022.91   96.324  1065.49  134.752  978.417  137.742  242.034   15.752  231.466   16.837 10.56764 23.05659 
1 1 1   -5   22   29 o   97.887   13.694  183.516   43.784  187.042   53.636  176.474   75.800  101.204   14.995   94.569   22.918 6.634979 27.38721 
1 1 1   -5   22   31 o  198.275   16.197  765.792  113.494  779.221  160.583  752.389  160.428  200.179   22.697  196.370   23.115 3.809311 32.39471 
1 1 1   -5   22   33 o   74.084   15.165  111.400   42.065  103.263   59.745  119.398   59.236   71.505   21.723   76.662   21.166 -5.156837 30.32962 
1 1 1   -5   23    2 o  130.074   10.736  302.926   49.345  307.977   69.356  297.748   70.222  131.197   14.957  128.951   15.407 2.245651 21.47301 
1 1 1   -5   23    4 o   80.712   11.555  120.199   32.318  141.140   45.275   98.443   46.148   88.852   14.417   72.571   18.063 16.28085 23.11086 
1 1 1   -5   23    6 o  235.745   22.496  1010.30  187.440   0.0000   0.0000  1010.30  187.440  ?   ?   235.745   22.496      ?      ? 
1 1 1   -5   23    8 o   97.077   16.656  179.759   56.956  209.036   79.117  148.264   82.059  105.437   21.944   88.718   25.063 16.71833 33.31241 
1 1 1   -5   23   10 o  130.940   17.676  325.677   79.231  394.227  110.190  252.296  114.007  147.351   21.158  114.530   28.322 32.82188 35.35261 
1 1 1   -5   23   12 o  219.551   13.651  875.119   99.105  881.168  120.869  862.709  173.124  221.630   15.430  217.473   22.523 4.156219 27.30169 
1 1 1   -5   23   14 o  191.575   13.439  676.559   85.193  626.851  146.084  702.177  104.873  185.294   22.306  197.857   14.997 -12.56317 26.87857 
1 1 1   -5   23   16 o  248.835   10.991  1113.48   96.532  1042.76  135.996  1185.30  137.045  240.747   15.982  256.922   15.092 -16.17461 21.98187 
1 1 1   -5   23   18 o  252.584   11.152  1148.74   99.515  1103.97  139.815  1194.72  141.675  247.533   15.981  257.635   15.559 -10.10172 22.30372 
1 1 1   -5   23   20 o  112.100   12.210  232.895   46.724  259.236   64.466  203.746   67.815  119.938   15.208  104.263   19.107 15.67519 24.41994 
1 1 1   -5   23   22 f  126.225   10.596  286.736   47.155  260.102   64.868  316.583   68.668  119.972   15.298  132.477   14.665 -12.50490 21.19184 
1 1 1   -5   23   24 o  136.240   11.019  337.501   52.891  344.541   72.457  329.470   77.383  137.927   14.863  134.553   16.272 3.373672 22.03827 
1 1 1   -5   23   26 o  113.419   14.144  247.463   51.462  255.367   62.939  231.520   89.387  118.391   15.041  108.448   23.959 9.942848 28.28899 
1 1 1   -5   23   28 f   74.900   15.616   99.122   41.742   77.923   50.021  147.739   75.752   64.023   19.954   85.777   24.028 -21.75395 31.23275 
1 1 1   -5   23   30 o  163.657   10.476  490.733   59.824  393.130   80.503  611.103   89.402  145.227   15.684  182.087   13.891 -36.86011 20.95103 
1 1 1   -5   24    3 o  129.417   23.287  314.736  102.599   0.0000   0.0000  314.736  102.599  ?   ?   129.417   23.287      ?      ? 
1 1 1   -5   24    5 o  157.089   21.656  449.480  120.238  449.480  120.238   0.0000   0.0000  157.089   21.656  ?   ?       ?      ? 
1 1 1   -5   24    7 o   60.908   9.1209   65.647   19.846   33.651   26.417  107.103   30.070   44.278   14.573   77.539   10.972 -33.26100 18.24177 
1 1 1   -5   24    9 o   72.597   11.504   99.719   28.936  119.193   40.009   78.361   41.899   80.340   14.629   64.854   17.758 15.48586 23.00764 
1 1 1   -5   24   11 o  206.343   11.324  767.996   82.316  834.481  116.056  700.686  116.773  215.527   15.235  197.159   16.757 18.36856 22.64771 
1 1 1   -5   24   13 o  260.444   11.651  1223.76  107.182  1266.93  151.180  1180.14  151.980  265.172   16.130  255.716   16.815 9.456284 23.30122 
1 1 1   -5   24   15 o  197.406   10.669  701.575   74.297  646.988  104.231  757.960  105.934  189.483   15.563  205.329   14.597 -15.84601 21.33767 
1 1 1   -5   24   17 o   98.188   11.948  179.580   39.981  207.717   55.580  149.407   57.555  107.401   14.642   88.976   18.886 18.42569 23.89677 
1 1 1   -5   24   19 o  215.197   10.756  836.809   81.797  823.690  114.515  850.475  116.878  213.487   15.176  216.908   15.245 -3.421494 21.51151 
1 1 1   -5   24   21 o  227.553   10.841  940.085   86.809  832.101  121.529  1052.58  124.043  213.908   16.074  241.199   14.550 -27.29158 21.68180 
1 1 1   -5   24   23 f   33.994   8.7556   17.375   13.565   21.140   16.937   10.639   22.656   35.142   11.674   32.847   13.053 2.294346 17.51126 
1 1 1   -5   24   25 o  127.505   10.242  295.092   45.439  230.297   61.641  372.206   67.245  111.947   15.579  143.064   13.299 -31.11684 20.48314 
1 1 1   -5   24   27 o  205.987   11.286  788.647   82.136  767.785  114.312  810.913  118.095  203.202   15.916  208.773   16.004 -5.571671 22.57148 
1 1 1   -5   24   29 o   90.410   18.607  181.775   64.201  208.429   80.325  134.631  106.826  100.362   23.120   80.457   29.160 19.90520 37.21400 
1 1 1   -5   25    2 o  168.250   11.532  514.048   67.854  594.755   95.574  432.025   96.351  181.945   14.862  154.554   17.638 27.39145 23.06488 
1 1 1   -5   25    4 o   59.641   13.336   63.470   31.758   51.805   44.928   75.118   44.896   55.533   19.015   63.749   18.705 -8.216145 26.67279 
1 1 1   -5   25    6 o  239.402   16.097  1053.93  136.098  1007.54  192.511  1100.29  192.432  233.919   23.285  244.885   22.233 -10.96581 32.19428 
1 1 1   -5   25    8 o  102.897   15.889  201.671   56.178  192.634   79.472  210.697   79.424  100.444   22.895  105.349   22.039 -4.905037 31.77860 
1 1 1   -5   25   10 o  140.348   13.043  357.655   61.336  359.218  104.856  356.841   75.624  139.956   21.197  140.740   15.203 -0.7845154 26.08543 
1 1 1   -5   25   12 o   99.220   10.311  176.712   36.102  166.282   49.478  188.587   52.796   96.100   14.567  102.339   14.596 -6.238808 20.62145 
1 1 1   -5   25   14 o  334.902   11.881  2035.65  140.590  1972.45  198.290  2099.53  199.362  329.559   17.023  340.246   16.578 -10.68771 23.76182 
1 1 1   -5   25   16 o  298.631   11.480  1619.85  121.067  1536.36  170.518  1704.71  171.922  290.690   16.597  306.572   15.866 -15.88202 22.96058 
1 1 1   -5   25   18 o  140.098   13.307  361.701   61.922  362.599   75.827  359.904  107.286  141.338   15.179  138.858   21.860 2.480743 26.61331 
1 1 1   -5   25   20 o  161.570   10.677  476.086   60.895  485.795   84.650  465.672   87.668  163.420   14.655  159.720   15.530 3.699753 21.35302 
1 1 1   -5   25   22 o  144.283   10.617  378.976   53.464  303.499   72.691  467.921   78.910  128.376   16.020  160.190   13.937 -31.81348 21.23446 
1 1 1   -5   25   24 o   41.963   10.389   29.646   18.835   33.233   23.714   23.516   31.000   42.922   13.785   41.005   15.547 1.917053 20.77800 
1 1 1   -5   25   26 o  137.348   13.320  354.547   61.362  338.300   75.138  387.078  106.321  134.329   15.826  140.368   21.430 -6.038864 26.64064 
1 1 1   -5   26    1 o  219.945   13.876  936.415   98.012  747.250  168.797  1032.64  120.386  200.404   23.831  239.486   14.222 -39.08136 27.75221 
1 1 1   -5   26    3 o   62.649   11.794   76.814   26.788   52.535   44.450   90.662   33.569   55.516   18.913   69.781   14.096 -14.26566 23.58845 
1 1 1   -5   26    5 o  143.180   10.489  369.862   53.012  345.705   74.422  394.743   75.530  138.357   15.219  148.003   14.439 -9.646317 20.97832 
1 1 1   -5   26    7 o  118.089   10.415  251.551   43.403  233.026   60.679  270.958   62.109  113.574   15.116  122.604   14.333 -9.030281 20.83088 
1 1 1   -5   26    9 o   51.556   11.414   46.713   22.230   44.013   27.338   51.983   38.194   49.052   14.648   54.061   17.508 -5.009670 22.82763 
1 1 1   -5   26   11 o  139.915   15.315  363.717   75.629  386.051  107.144  341.540  106.767  144.402   20.993  135.427   22.306 8.975845 30.63074 
1 1 1   -5   26   13 o   85.510   15.485  141.499   47.045  133.675   66.579  149.301   66.486   83.129   22.229   87.892   21.564 -4.762863 30.97036 
1 1 1   -5   26   15 o   97.532   13.769  184.583   44.498  161.576   73.980  197.626   55.700   90.851   23.013  104.214   15.122 -13.36381 27.53700 
1 1 1   -5   26   17 o   69.641   12.892   96.737   32.534   67.856   52.295  114.973   41.554   61.285   20.517   77.997   15.618 -16.71191 25.78496 
1 1 1   -5   26   19 o   59.703   11.842   68.574   26.045   74.941   34.544   60.186   39.648   62.613   15.652   56.793   17.775 5.820522 23.68400 
1 1 1   -5   26   21 o  124.472   11.556  291.187   50.287  312.378   68.168  265.887   74.484  130.053   14.830  118.891   17.725 11.16164 23.11101 
1 1 1   -5   26   23 o   88.749   10.767  145.005   32.067   96.285   42.089  212.413   49.508   70.055   17.139  107.443   13.037 -37.38711 21.53390 
1 1 1   -5   27    2 o  233.128   11.343  990.656   93.395  1029.28  131.803  951.706  132.360  237.851   15.678  228.406   16.396 9.444885 22.68546 
1 1 1   -5   27    4 o   79.361   13.329  122.392   35.456  128.248   43.445  110.713   61.352   82.772   15.418   75.950   21.747 6.822548 26.65741 
1 1 1   -5   27    6 o  123.158   10.341  275.626   44.733  238.288   62.576  314.647   63.972  114.423   15.473  131.893   13.723 -17.47021 20.68166 
1 1 1   -5   27    8 o  182.891   10.882  609.358   70.339  602.038   98.919  616.844  100.041  181.778   15.396  184.005   15.383 -2.226578 21.76392 
1 1 1   -5   27   10 o  196.208   10.888  702.705   75.447  666.150  105.825  740.492  107.594  190.902   15.684  201.514   15.106 -10.61253 21.77609 
1 1 1   -5   27   12 o   48.635   10.495   43.921   19.935   51.436   26.317   33.803   30.536   52.268   13.975   45.001   15.661 7.266521 20.99034 
1 1 1   -5   27   14 f  149.050   10.848  408.157   57.133  395.125   79.957  421.751   81.667  146.586   15.433  151.514   15.250 -4.927902 21.69650 
1 1 1   -5   27   16 o  157.031   13.810  473.872   71.363  486.542   87.424  448.571  123.539  162.327   15.238  151.735   23.035 10.59158 27.61925 
1 1 1   -5   27   18 o   70.609   14.758   98.974   39.393   99.718   55.962   98.244   55.462   70.849   20.911   70.369   20.830 0.4805984 29.51508 
1 1 1   -5   27   20 o  159.693   22.780  509.749  128.574   0.0000   0.0000  509.749  128.574  ?   ?   159.693   22.780      ?      ? 
1 1 1   -5   28    1 o   41.793   10.755   25.489   18.361   23.735   21.100   30.959   37.268   37.749   13.026   45.836   17.117 -8.087009 21.50936 
1 1 1   -5   28    3 o  210.564   13.806  826.547   97.027  811.561  118.879  856.451  167.927  209.802   16.032  211.327   22.482 -1.525818 27.61292 
1 1 1   -5   28    5 o   51.822   10.658   50.132   21.852   69.927   29.956   27.619   31.947   60.695   14.214   42.949   15.886 17.74527 21.31653 
1 1 1   -5   28    7 o   37.375   9.5998   20.583   15.694   18.105   19.284   25.442   27.009   34.317   12.397   40.433   14.661 -6.115688 19.19967 
1 1 1   -5   28    9 o  139.680   11.060  361.051   54.566  366.928   76.233  354.877   78.138  140.981   15.299  138.379   15.976 2.601807 22.12013 
1 1 1   -5   28   11 o   54.182   10.225   55.127   19.987   45.893   26.886   66.534   29.883   49.383   14.471   58.982   14.449 -9.598930 20.44920 
1 1 1   -5   28   13 o   67.917   12.093   91.085   29.518  111.721   40.732   68.261   42.836   76.221   15.644   59.613   18.446 16.60854 24.18664 
1 1 1   -5   28   15 o   55.180   12.437   56.641   26.896   64.889   42.734   51.230   34.610   58.158   18.487   52.202   16.642 5.956032 24.87364 
1 1 1   -5   29    4 o  101.491   10.772  191.936   38.616  182.730   53.956  201.603   55.289   98.928   15.431  104.053   15.034 -5.124962 21.54375 
1 1 1   -5   29    6 o   48.592   10.585   44.119   21.011   60.203   28.322   24.432   31.335   55.946   14.276   41.237   15.632 14.70862 21.16963 
1 1 1   -5   29    8 o  107.136   13.864  224.693   48.275  222.988   59.169  228.087   83.491  109.122   15.341  105.151   23.097 3.971451 27.72739 
1 1 1   -5   29   10 o  113.172   13.655  245.986   51.020  272.132   86.767  232.168   63.076  115.499   22.059  110.845   16.100 4.653839 27.30984 
1 1 1   -4    0    2 o  531.559   13.966  5018.13  369.898  5018.13  369.898  5018.13  369.898  531.559   19.750  531.559   19.750 -0.000000 0.000000 
1 1 1   -4    0    4 o  369.320   12.245  2427.89  224.914  2427.89  224.914  2427.89  224.914  369.320   17.317  369.320   17.317 -0.000000 0.000000 
1 1 1   -4    0    6 o  375.440   12.302  2508.89  229.731  2508.89  229.731  2508.89  229.731  375.440   17.397  375.440   17.397 -0.000000 0.000000 
1 1 1   -4    0    8 o  1465.99   28.020 38259.46  2049.82 38259.46  2049.82 38259.46  2049.82  1465.99   39.626  1465.99   39.626 -0.000000 0.000000 
1 1 1   -4    0   10 o  709.258   16.274  8940.60  575.575  8940.60  575.575  8940.60  575.575  709.258   23.015  709.258   23.015 -0.000000 0.000000 
1 1 1   -4    0   14 o  517.435   19.681  4789.36  505.663  4789.36  505.663  4789.36  505.663  517.435   27.833  517.435   27.833 -0.000000 0.000000 
1 1 1   -4    0   16 o  1364.17   37.535 33346.61  2550.62 33346.61  2550.62 33346.61  2550.62  1364.17   53.083  1364.17   53.083 -0.000000 0.000000 
1 1 1   -4    0   20 o  638.096   21.773  7264.77  690.765  7264.77  690.765  7264.77  690.765  638.096   30.792  638.096   30.792 -0.000000 0.000000 
1 1 1   -4    0   22 f  605.775   21.190  6550.84  638.033  6550.84  638.033  6550.84  638.033  605.775   29.967  605.775   29.967 -0.000000 0.000000 
1 1 1   -4    0   24 o  1659.50   31.217 49137.25  2585.31 49137.25  2585.31 49137.25  2585.31  1659.50   44.148  1659.50   44.148 -0.000000 0.000000 
1 1 1   -4    0   26 o  1398.37   26.942 34879.61  1880.03 34879.61  1880.03 34879.61  1880.03  1398.37   38.102  1398.37   38.102 -0.000000 0.000000 
1 1 1   -4    0   28 o  403.185   12.551  2895.74  251.821  2895.74  251.821  2895.74  251.821  403.185   17.750  403.185   17.750 -0.000000 0.000000 
1 1 1   -4    0   30 o  1057.14   20.035 19969.17  1056.94 19969.17  1056.94 19969.17  1056.94  1057.14   28.334  1057.14   28.334 -0.000000 0.000000 
1 1 1   -4    0   32 o  395.768   11.792  2795.00  232.324  2795.00  232.324  2795.00  232.324  395.768   16.676  395.768   16.676 -0.000000 0.000000 
1 1 1   -4    0   34 o  470.488   12.735  3954.33  298.497  3954.33  298.497  3954.33  298.497  470.488   18.010  470.488   18.010 -0.000000 0.000000 
1 1 1   -4    0   36 o   61.390   12.535   81.629   33.369   81.629   33.369   81.629   33.369   61.390   17.728   61.390   17.728 -0.000000 0.000000 
1 1 1   -4    0   38 o  281.009   16.685  1444.59  230.554  1444.59  230.554  1444.59  230.554  281.009   23.596  281.009   23.596 -0.000000 0.000000 
1 1 1   -4    0   40 o  208.773   10.857  788.123  111.887  788.123  111.887  788.123  111.887  208.773   15.354  208.773   15.354 -0.000000 0.000000 
1 1 1   -4    0   42 o   41.812   14.011   45.857   33.254   45.857   33.254   45.857   33.254   41.812   19.815   41.812   19.815 -0.000000 0.000000 
1 1 1   -4    0   44 o   51.588   14.879   66.581   37.731   66.581   37.731   66.581   37.731   51.588   21.042   51.588   21.042 -0.000000 0.000000 
1 1 1   -4    1    1 o  469.372   13.059  3899.22  216.628  3945.04  306.362  3853.40  306.354  472.134   18.359  466.610   18.576 5.523834 26.11734 
1 1 1   -4    1    3 o  1087.86   21.787 21002.45  837.589 21374.63  1184.54 20630.28  1184.52  1097.54   30.536  1078.18   31.084 19.35889 43.57329 
1 1 1   -4    1    5 o  1365.75   26.161 33180.02  1262.81 32966.52  1785.89 33393.52  1785.89  1361.33   37.117  1370.17   36.877 -8.845825 52.32205 
1 1 1   -4    1    7 o  715.327   19.474  8986.69  466.435  9379.49  807.930  8790.31  571.250  726.452   31.466  704.203   22.951 22.24915 38.94738 
1 1 1   -4    1    9 o  517.972   17.341  4863.17  295.877  4484.82  512.484  5052.33  362.370  502.059   28.881  533.886   19.204 -31.82718 34.68237 
1 1 1   -4    1   11 o  873.695   22.520 13539.00  657.726 13963.84  1139.25 13326.60  805.534  882.350   36.531  865.039   26.347 17.31116 45.04052 
1 1 1   -4    1   13 o  338.395   16.915  2037.80  202.033  1916.56  285.735  2159.00  285.700  328.260   24.628  348.530   23.193 -20.27011 33.82928 
1 1 1   -4    1   15 o  287.506   22.898  1466.76  232.684  1466.76  232.684   0.0000   0.0000  287.506   22.898  ?   ?       ?      ? 
1 1 1   -4    1   19 o  1215.61   48.014 26451.43  2062.93 26451.43  2062.93   0.0000   0.0000  1215.61   48.014  ?   ?       ?      ? 
1 1 1   -4    1   21 f  848.445   25.695 12822.03  770.423 13066.48  1089.60 12577.62  1089.48  856.596   35.989  840.295   36.683 16.30139 51.38956 
1 1 1   -4    1   23 o  667.628   22.087  7931.03  521.138  8067.09  737.072  7795.03  736.929  673.393   30.969  661.864   31.502 11.52875 44.17491 
1 1 1   -4    1   25 f  1659.35   44.408 50371.53  2599.73 53754.63  3676.68 46988.84  3676.46  1717.03   60.584  1601.67   64.944 115.3583 88.81516 
1 1 1   -4    1   27 o  452.481   18.117  3651.07  289.075  3933.89  408.931  3368.58  408.696  470.154   24.609  434.807   26.594 35.34644 36.23299 
1 1 1   -4    1   29 o  604.772   18.142  6676.40  361.178  6940.46  442.384  6148.52  625.484  624.451   20.044  585.093   30.246 39.35779 36.28485 
1 1 1   -4    1   31 o  167.127   12.987  506.490   71.672  522.627   87.820  474.306  124.023  171.471   14.490  162.783   21.556 8.688843 25.97404 
1 1 1   -4    1   33 o  333.132   14.765  2010.45  162.967  2046.87  199.626  1937.69  282.176  338.632   16.679  327.633   24.368 10.99908 29.52906 
1 1 1   -4    1   35 o  318.490   14.332  1863.79  150.198  1939.18  184.037  1713.41  259.918  329.450   15.805  307.531   23.913 21.91895 28.66382 
1 1 1   -4    1   37 o  348.519   16.371  2175.42  201.666  2175.42  201.666   0.0000   0.0000  348.519   16.371  ?   ?       ?      ? 
1 1 1   -4    1   39 o  287.590   15.380  1480.83  156.337  1480.83  156.337   0.0000   0.0000  287.590   15.380  ?   ?       ?      ? 
1 1 1   -4    1   41 o  113.661   15.259  231.842   61.301  231.842   61.301   0.0000   0.0000  113.661   15.259  ?   ?       ?      ? 
1 1 1   -4    1   43 o   51.139   16.458   46.181   33.790   46.181   33.790   0.0000   0.0000   51.139   16.458  ?   ?       ?      ? 
1 1 1   -4    2    2 o  286.445   14.067  1461.91  133.808  1425.33  231.785  1480.19  163.873  283.650   23.120  289.241   16.030 -5.590912 28.13322 
1 1 1   -4    2    4 o  319.791   16.554  1812.15  187.103  1805.07  264.606  1819.23  264.600  319.164   23.457  320.418   23.364 -1.253448 33.10749 
1 1 1   -4    2    6 o  1677.19   45.124 50856.74  2674.47 51936.37  3782.29 49777.13  3782.24  1695.40   63.119  1658.98   64.504 36.42456 90.24870 
1 1 1   -4    2    8 o  307.818   16.413  1681.27  178.554  1708.59  252.529  1653.96  252.498  310.329   23.023  305.307   23.399 5.021729 32.82676 
1 1 1   -4    2   10 o  863.880   26.229 13378.85  800.850 13493.18  1132.60 13264.52  1132.54  867.624   36.934  860.135   37.254 7.488281 52.45897 
1 1 1   -4    2   12 o  975.250   28.714 17122.30  989.729 17249.26  1399.72 16995.37  1399.66  978.933   40.455  971.568   40.759 7.364746 57.42743 
1 1 1   -4    2   14 o  735.658   23.568  9657.94  612.761  9537.00  866.608  9778.86  866.541  731.007   33.541  740.309   33.117 -9.302551 47.13580 
1 1 1   -4    2   16 o  1057.23   42.938 19987.10  1604.45   0.0000   0.0000 19987.10  1604.45  ?   ?   1057.23   42.938      ?      ? 
1 1 1   -4    2   18 o  464.350   26.279  3825.37  431.290  3825.37  431.290   0.0000   0.0000  464.350   26.279  ?   ?       ?      ? 
1 1 1   -4    2   20 o  675.411   31.528  8107.30  752.639  8107.30  752.639   0.0000   0.0000  675.411   31.528  ?   ?       ?      ? 
1 1 1   -4    2   22 o  418.503   17.948  3108.46  265.456  3053.51  375.473  3163.37  375.349  414.789   25.611  422.217   25.152 -7.427887 35.89683 
1 1 1   -4    2   24 o  959.397   27.750 16484.20  939.137 17666.20  1328.25 15302.59  1328.03  994.248   37.798  924.546   40.641 69.70227 55.50059 
1 1 1   -4    2   26 o  215.918   15.627  828.127  119.219  804.413  168.743  851.762  168.460  212.815   22.434  219.021   21.762 -6.206253 31.25446 
1 1 1   -4    2   28 o  431.076   15.960  3408.50  225.315  3597.61  275.984  3030.55  390.171  450.202   17.344  411.949   26.797 38.25278 31.92050 
1 1 1   -4    2   30 o  317.224   16.639  1789.86  186.563  1789.86  186.563   0.0000   0.0000  317.224   16.639  ?   ?       ?      ? 
1 1 1   -4    2   32 f  389.883   25.004  2741.32  344.561  2741.32  344.561   0.0000   0.0000  389.883   25.004  ?   ?       ?      ? 
1 1 1   -4    2   34 o  676.001   21.227  8224.06  507.180  8224.06  507.180   0.0000   0.0000  676.001   21.227  ?   ?       ?      ? 
1 1 1   -4    2   36 o  468.422   17.489  3934.09  289.543  3934.09  289.543   0.0000   0.0000  468.422   17.489  ?   ?       ?      ? 
1 1 1   -4    2   38 o  573.321   20.277  6069.70  409.855  6552.57  580.044  5588.23  579.201  597.098   27.485  549.544   29.820 47.55347 40.55431 
1 1 1   -4    2   40 o  487.266   16.001  4374.89  257.878  4467.47  315.965  4190.18  446.291  497.843   17.957  476.689   26.489 21.15421 32.00156 
1 1 1   -4    2   42 o   92.762   12.460  170.215   37.180  194.708   46.098  124.628   62.890  104.366   12.497   81.158   21.559 23.20780 24.91930 
1 1 1   -4    2   44 o   94.416   12.972  183.033   39.556  115.371   66.308  220.414   49.286   77.984   22.689  110.847   12.580 -32.86259 25.94334 
1 1 1   -4    2   46 o  159.297   21.989  477.402  123.805   0.0000   0.0000  477.402  123.805  ?   ?   159.297   21.989      ?      ? 
1 1 1   -4    3    1 o  961.173   28.187 16493.64  954.573 14997.87  1349.95 17989.50  1349.99  917.143   41.645  1005.20   37.998 -88.06128 56.37473 
1 1 1   -4    3    3 o  1019.65   29.488 18542.95  1062.62 18261.75  1502.78 18824.13  1502.75  1011.84   42.021  1027.45   41.382 -15.60498 58.97586 
1 1 1   -4    3    5 o  839.736   25.564 12561.52  758.439 12969.13  1072.62 12153.95  1072.57  853.468   35.558  826.003   36.739 27.46533 51.12836 
1 1 1   -4    3    7 o  144.076   21.150  368.076  107.703  368.076  107.703   0.0000   0.0000  144.076   21.150  ?   ?       ?      ? 
1 1 1   -4    3    9 o  298.355   16.341  1585.56  171.677  1427.93  242.771  1743.24  242.803  283.405   24.237  313.306   21.926 -29.90128 32.68290 
1 1 1   -4    3   11 o  645.209   21.636  7457.98  491.107  8280.07  694.584  6636.15  694.476  681.253   28.847  609.166   32.255 72.08649 43.27283 
1 1 1   -4    3   13 f  923.834   27.538 15296.80  899.153 15159.76  1271.63 15433.82  1271.56  919.637   39.122  928.031   38.766 -8.393738 55.07610 
1 1 1   -4    3   15 o  385.165   24.627  2632.59  335.263   0.0000   0.0000  2632.59  335.263  ?   ?   385.165   24.627      ?      ? 
1 1 1   -4    3   17 o  376.146   17.616  2514.78  233.429  2282.02  330.168  2747.39  330.068  358.643   26.047  393.648   23.723 -35.00464 35.23103 
1 1 1   -4    3   19 o  828.586   25.701 12234.87  751.542 11469.57  1062.91 12999.98  1062.78  802.457   37.476  854.716   35.180 -52.25830 51.40137 
1 1 1   -4    3   21 o  880.696   23.391 13952.82  682.129 13350.61  1181.59 14253.84  835.394  865.213   38.639  896.180   26.374 -30.96613 46.78202 
1 1 1   -4    3   23 o  671.503   22.350  8027.73  530.375  7872.57  750.156  8182.80  749.970  664.967   31.918  678.039   31.295 -13.07239 44.69995 
1 1 1   -4    3   25 o  778.369   34.538 10826.68  950.169 10826.68  950.169   0.0000   0.0000  778.369   34.538  ?   ?       ?      ? 
1 1 1   -4    3   27 o  759.077   34.084 10331.75  914.452 10331.75  914.452   0.0000   0.0000  759.077   34.084  ?   ?       ?      ? 
1 1 1   -4    3   29 o  583.349   29.388  6115.73  605.919  6115.73  605.919   0.0000   0.0000  583.349   29.388  ?   ?       ?      ? 
1 1 1   -4    3   31 o  459.260   16.579  3732.33  255.315  3616.99  312.707  3962.95  442.184  449.856   19.667  468.664   26.694 -18.80872 33.15714 
1 1 1   -4    3   33 o  555.078   20.384  5614.91  399.878  5704.35  565.684  5525.57  565.342  559.629   28.599  550.526   29.054 9.102417 40.76855 
1 1 1   -4    3   35 o   37.928   7.6701   26.563   12.175   40.598   15.576   4.5214   19.519   46.973   9.7028   28.882   11.882 18.09093 15.34014 
1 1 1   -4    3   37 f  175.382   15.224  556.483   94.345  542.370  133.363  570.623  133.484  173.105   21.797  177.659   21.258 -4.554123 30.44716 
1 1 1   -4    3   39 o  189.619   15.311  652.464  102.557  627.396  144.968  677.581  145.108  185.878   22.066  193.361   21.233 -7.483337 30.62247 
1 1 1   -4    3   41 o  199.667   13.241  696.454   89.495  640.134  109.812  807.852  154.438  188.589   16.475  210.745   20.734 -22.15677 26.48198 
1 1 1   -4    3   43 o  133.630   13.685  304.548   62.293  249.005   76.624  412.811  106.977  117.001   18.529  150.259   20.143 -33.25826 27.36927 
1 1 1   -4    3   45 o  228.292   22.741  975.356  183.497   0.0000   0.0000  975.356  183.497  ?   ?   228.292   22.741      ?      ? 
1 1 1   -4    4    2 o  341.062   23.804  2063.21  286.945  2063.21  286.945   0.0000   0.0000  341.062   23.804  ?   ?       ?      ? 
1 1 1   -4    4    4 o  220.988   15.418  869.032  119.757  974.625  169.416  763.574  169.307  234.499   20.441  207.478   23.088 27.02031 30.83612 
1 1 1   -4    4    6 o  241.451   15.693  1034.77  133.883  1063.40  189.375  1006.17  189.303  244.804   21.887  238.098   22.495 6.705673 31.38545 
1 1 1   -4    4    8 o  1136.04   45.843 23314.63  1840.71   0.0000   0.0000 23314.63  1840.71  ?   ?   1136.04   45.843      ?      ? 
1 1 1   -4    4   10 o  350.637   16.984  2187.08  210.480  2182.68  297.678  2191.49  297.649  350.281   24.044  350.992   23.993 -0.7115784 33.96751 
1 1 1   -4    4   12 o  142.126   14.246  373.940   64.382  334.440  111.585  393.651   78.826  135.164   24.248  149.088   14.959 -13.92355 28.49138 
1 1 1   -4    4   14 o  507.863   17.194  4646.73  288.545  4376.61  499.817  4781.75  353.379  496.230   28.498  519.496   19.246 -23.26520 34.38773 
1 1 1   -4    4   16 o  746.333   33.494  9908.33  883.536   0.0000   0.0000  9908.33  883.536  ?   ?   746.333   33.494      ?      ? 
1 1 1   -4    4   18 o  1039.50   29.628 19189.80  1088.53   0.0000   0.0000 19189.80  1088.53  ?   ?   1039.50   29.628      ?      ? 
1 1 1   -4    4   20 f  701.807   22.818  8757.90  565.986  8737.83  800.494  8777.96  800.358  700.997   32.309  702.616   32.229 -1.618652 45.63514 
1 1 1   -4    4   22 f  1123.32   31.847 22613.24  1264.40 22755.46  1788.23 22471.05  1788.03  1126.90   44.897  1119.74   45.179 7.161743 63.69385 
1 1 1   -4    4   26 o  634.138   21.042  7191.18  470.128  7844.91  665.041  6538.15  664.682  663.287   28.368  604.987   31.085 58.29987 42.08321 
1 1 1   -4    4   28 o  410.303   25.239  3006.80  366.020   0.0000   0.0000  3006.80  366.020  ?   ?   410.303   25.239      ?      ? 
1 1 1   -4    4   30 o  258.572   15.967  1197.28  145.926  1202.27  206.566  1192.32  206.176  259.113   22.555  258.030   22.607 1.082153 31.93477 
1 1 1   -4    4   32 o  460.032   19.023  3836.75  308.949  4044.00  436.869  3629.41  436.971  472.783   26.144  447.282   27.641 25.50140 38.04625 
1 1 1   -4    4   34 o  622.705   22.208  7144.29  488.317  7484.58  690.518  6803.86  690.651  638.172   30.614  607.237   32.180 30.93408 44.41541 
1 1 1   -4    4   36 o  481.683   16.333  4248.25  260.404  4330.26  318.992  4084.44  450.856  490.966   18.383  472.400   27.003 18.56613 32.66607 
1 1 1   -4    4   38 o  327.527   16.643  1953.44  192.516  1865.81  272.156  2041.19  272.362  319.956   24.066  335.098   22.996 -15.14252 33.28666 
1 1 1   -4    4   40 o   61.311   12.863   68.344   30.270   53.590   42.640   83.334   42.978   55.790   18.522   66.833   17.855 -11.04274 25.72670 
1 1 1   -4    4   42 o  116.266   15.620  255.435   62.206  192.230   87.947  318.715   87.998  100.027   24.957  132.505   18.790 -32.47722 31.23971 
1 1 1   -4    4   44 o  137.513   21.592  349.854  104.942   0.0000   0.0000  349.854  104.942  ?   ?   137.513   21.592      ?      ? 
1 1 1   -4    4   46 f  108.775   22.765  231.553   84.713   0.0000   0.0000  231.553   84.713  ?   ?   108.775   22.765      ?      ? 
1 1 1   -4    5    1 o  395.891   17.603  2785.62  246.207  2690.78  348.193  2880.46  348.185  389.113   25.318  402.669   24.465 -13.55600 35.20667 
1 1 1   -4    5    3 o  564.178   20.302  5667.08  404.826  5617.76  572.538  5716.39  572.484  561.705   28.839  566.652   28.584 -4.946411 40.60457 
1 1 1   -4    5    5 o  124.551   15.536  281.059   66.592  248.414   94.206  313.660   94.144  116.144   23.750  132.958   20.034 -16.81412 31.07119 
1 1 1   -4    5    7 o  486.047   15.930  4151.21  259.318  4347.43  449.284  4053.19  317.552  494.140   25.725  477.954   18.798 16.18604 31.86097 
1 1 1   -4    5    9 o   77.288   14.557  116.168   40.606   71.819   70.473  138.210   49.683   67.743   23.780   86.833   16.796 -19.09037 29.11360 
1 1 1   -4    5   11 o  1048.78   23.493 18733.77  835.373 22850.52  1447.13 16676.33  1023.04  1130.19   36.227  967.372   29.921 162.8206 46.98601 
1 1 1   -4    5   13 o  693.962   18.372  8255.78  430.921  9548.82  746.537  7609.67  527.711  732.924   28.819  655.001   22.795 77.92316 36.74382 
1 1 1   -4    5   15 o  894.888   37.860 14272.54  1197.48   0.0000   0.0000 14272.54  1197.48  ?   ?   894.888   37.860      ?      ? 
1 1 1   -4    5   17 f  790.051   24.398 11122.21  679.581 12025.65  961.139 10219.01  961.006  822.400   33.066  757.702   35.885 64.69830 48.79618 
1 1 1   -4    5   19 o  727.678   32.973  9416.95  848.052   0.0000   0.0000  9416.95  848.052  ?   ?   727.678   32.973      ?      ? 
1 1 1   -4    5   21 o  1288.92   30.066 29387.72  1297.46 30744.00  2247.42 28709.70  1589.01  1308.60   48.591  1269.23   35.421 39.37122 60.13105 
1 1 1   -4    5   23 o  1209.70   28.350 25828.97  1149.74 27350.78  1991.59 25068.28  1408.07  1233.75   45.672  1185.65   33.601 48.10645 56.70071 
1 1 1   -4    5   25 o  621.101   18.693  6921.78  385.024  6701.51  667.098  7031.81  471.479  612.847   30.798  629.356   21.196 -16.50928 37.38650 
1 1 1   -4    5   27 o  294.169   16.058  1541.69  166.824  1615.20  236.222  1468.54  235.629  301.219   22.188  287.119   23.219 14.10040 32.11602 
1 1 1   -4    5   29 o  463.806   26.491  3863.69  434.258   0.0000   0.0000  3863.69  434.258  ?   ?   463.806   26.491      ?      ? 
1 1 1   -4    5   33 o  435.251   26.053  3439.26  400.785   0.0000   0.0000  3439.26  400.785  ?   ?   435.251   26.053      ?      ? 
1 1 1   -4    5   35 o  270.966   16.647  1333.74  158.973  1446.63  224.765  1220.74  224.879  282.761   22.490  259.171   24.549 23.58966 33.29378 
1 1 1   -4    5   37 o  345.235   16.696  2169.61  203.437  2039.52  287.594  2299.90  287.814  334.569   24.321  355.900   22.880 -21.33078 33.39163 
1 1 1   -4    5   39 o  318.739   23.855  1857.36  268.737   0.0000   0.0000  1857.36  268.737  ?   ?   318.739   23.855      ?      ? 
1 1 1   -4    5   41 o   74.795   20.730  105.021   56.700   0.0000   0.0000  105.021   56.700  ?   ?    74.795   20.730      ?      ? 
1 1 1   -4    5   43 o   71.861   20.459   97.266   54.460   0.0000   0.0000   97.266   54.460  ?   ?    71.861   20.459      ?      ? 
1 1 1   -4    5   45 o  162.830   21.973  496.679  126.457   0.0000   0.0000  496.679  126.457  ?   ?   162.830   21.973      ?      ? 
1 1 1   -4    5   47 o   93.146   22.478  173.818   73.156   0.0000   0.0000  173.818   73.156  ?   ?    93.146   22.478      ?      ? 
1 1 1   -4    6    2 o  410.639   15.689  3024.25  213.551  2914.73  369.953  3078.98  261.521  404.607   25.870  416.671   17.758 -12.06375 31.37819 
1 1 1   -4    6    4 o  408.630   16.151  3057.62  216.154  2721.45  374.451  3225.62  264.712  390.783   27.111  426.478   17.561 -35.69504 32.30151 
1 1 1   -4    6    6 o  508.318   15.207  4451.41  260.876  5052.22  452.046  4151.40  319.438  532.926   23.999  483.710   18.684 49.21646 30.41493 
1 1 1   -4    6    8 o  1284.67   31.093 29746.77  1329.79 29797.35  2303.44 29721.49  1628.59  1281.15   50.869  1288.19   35.769 -7.044067 62.18645 
1 1 1   -4    6   10 o  724.687   23.297  9370.02  596.700  9455.37  843.931  9284.70  843.789  728.018   32.798  721.356   33.095 6.662170 46.59385 
1 1 1   -4    6   12 o  514.980   27.462  4711.06  499.858   0.0000   0.0000  4711.06  499.858  ?   ?   514.980   27.462      ?      ? 
1 1 1   -4    6   14 o  324.440   23.505  1866.24  269.535   0.0000   0.0000  1866.24  269.535  ?   ?   324.440   23.505      ?      ? 
1 1 1   -4    6   16 o  1088.65   43.883 21170.30  1688.52   0.0000   0.0000 21170.30  1688.52  ?   ?   1088.65   43.883      ?      ? 
1 1 1   -4    6   18 o  1478.12   39.427 38958.23  2059.79   0.0000   0.0000 38958.23  2059.79  ?   ?   1478.12   39.427      ?      ? 
1 1 1   -4    6   20 o  354.918   16.607  2250.18  206.024  2635.32  291.549  1866.03  291.176  385.580   21.393  324.256   25.407 61.32401 33.21400 
1 1 1   -4    6   22 o  482.559   15.377  4015.79  250.187  4507.26  433.595  3770.50  306.323  503.850   24.348  461.267   18.789 42.58328 30.75475 
1 1 1   -4    6   24 o  1288.18   35.777 30068.64  1628.58 30779.74  2303.31 29357.72  2303.02  1303.80   49.983  1272.57   51.203 31.22839 71.55464 
1 1 1   -4    6   26 o  227.923   11.705  875.733   90.388  1082.68  157.125  773.378  110.503  246.970   18.000  208.875   14.968 38.09503 23.41059 
1 1 1   -4    6   28 o  203.301   15.123  733.936  108.669   0.0000   0.0000  733.936  108.669  ?   ?   203.301   15.123      ?      ? 
1 1 1   -4    6   30 o  153.609   15.098  422.763   81.971  425.517  116.187  420.035  115.663  154.109   21.331  153.109   21.373 1.000015 30.19651 
1 1 1   -4    6   32 o  201.436   21.896  730.178  155.889   0.0000   0.0000  730.178  155.889  ?   ?   201.436   21.896      ?      ? 
1 1 1   -4    6   34 o  375.783   18.070  2574.06  239.274  2797.44  338.317  2350.51  338.452  392.610   24.381  358.956   26.677 33.65405 36.13956 
1 1 1   -4    6   36 o   54.883   12.530   49.416   29.368   77.192   41.484   21.508   41.582   64.552   17.668   45.214   17.773 19.33719 25.06016 
1 1 1   -4    6   38 o  117.473   22.394  258.462   89.585   0.0000   0.0000  258.462   89.585  ?   ?   117.473   22.394      ?      ? 
1 1 1   -4    6   40 o  359.038   24.706  2372.03  313.518   0.0000   0.0000  2372.03  313.518  ?   ?   359.038   24.706      ?      ? 
1 1 1   -4    6   42 f  172.748   21.848  548.515  133.393   0.0000   0.0000  548.515  133.393  ?   ?   172.748   21.848      ?      ? 
1 1 1   -4    6   44 o   82.563   21.505  131.225   63.378   0.0000   0.0000  131.225   63.378  ?   ?    82.563   21.505      ?      ? 
1 1 1   -4    6   46 o  126.191   23.044  312.875   98.994   0.0000   0.0000  312.875   98.994  ?   ?   126.191   23.044      ?      ? 
1 1 1   -4    7    1 o  682.506   22.052  8276.28  531.956   0.0000   0.0000  8276.28  531.956  ?   ?   682.506   22.052      ?      ? 
1 1 1   -4    7    3 o  437.516   16.107  3374.30  235.670  3487.86  408.272  3317.55  288.608  442.603   26.098  432.429   18.883 10.17450 32.21339 
1 1 1   -4    7    5 o  409.810   17.699  2993.68  255.510  2712.58  361.269  3275.02  361.422  390.395   26.182  429.224   23.824 -38.82916 35.39885 
1 1 1   -4    7    7 o  735.545   23.552  9659.54  612.272  9718.83  865.880  9600.25  865.888  737.825   33.204  733.264   33.410 4.560913 47.10333 
1 1 1   -4    7    9 o  663.270   22.062  7866.04  513.894  6851.44  726.696  8880.97  726.816  619.983   33.163  706.556   29.104 -86.57263 44.12300 
1 1 1   -4    7   11 o  1338.98   34.508 33775.38  1492.61 27902.64  2585.31 36711.59  1828.05  1242.68   58.862  1435.29   36.035 -192.6045 69.01633 
1 1 1   -4    7   13 o  1333.09   36.427 34628.28  1528.99 25146.73  2648.29 39369.05  1872.63  1179.10   63.547  1487.08   35.629 -307.9805 72.85359 
1 1 1   -4    7   15 o  491.298   19.425  4288.82  336.700  3993.31  476.305  4583.99  476.028  474.289   28.413  508.307   26.496 -34.01779 38.85066 
1 1 1   -4    7   17 o  794.976   24.722 11247.93  694.627 11179.60  982.515 11316.22  982.187  792.544   35.075  797.408   34.849 -4.864014 49.44408 
1 1 1   -4    7   19 o  485.033   17.230  4268.44  285.159  5545.84  403.600  2995.13  402.952  559.426   20.412  410.639   27.763 148.7862 34.45953 
1 1 1   -4    7   21 o  533.279   19.527  5073.45  366.039  5683.69  517.779  4463.79  517.536  565.639   25.899  500.919   29.232 64.71991 39.05445 
1 1 1   -4    7   23 o  804.901   20.908 11336.61  565.285 12214.63  979.275 10897.83  692.269  826.889   33.507  782.912   25.017 43.97711 41.81620 
1 1 1   -4    7   25 o  1231.11   34.057 27186.22  1481.91   0.0000   0.0000 27186.22  1481.91  ?   ?   1231.11   34.057      ?      ? 
1 1 1   -4    7   27 o  622.366   30.413  6969.13  668.999   0.0000   0.0000  6969.13  668.999  ?   ?   622.366   30.413      ?      ? 
1 1 1   -4    7   29 o  314.865   14.747  1807.75  152.984  1676.95  265.009  1873.12  187.356  305.409   24.550  324.322   16.344 -18.91254 29.49343 
1 1 1   -4    7   31 o  440.298   18.497  3511.72  287.804  3582.08  406.995  3441.34  407.037  444.820   25.887  435.775   26.427 9.045166 36.99379 
1 1 1   -4    7   33 o  551.989   20.061  5581.31  390.551  5175.48  552.219  5987.45  552.426  531.183   29.413  572.795   27.287 -41.61163 40.12144 
1 1 1   -4    7   35 o  374.162   14.505  2517.51  180.905  2500.82  221.506  2550.94  313.494  373.576   16.776  374.749   23.668 -1.172699 29.01082 
1 1 1   -4    7   37 o  172.340   21.670  538.347  131.999   0.0000   0.0000  538.347  131.999  ?   ?   172.340   21.670      ?      ? 
1 1 1   -4    7   39 o  198.796   22.039  720.312  154.850   0.0000   0.0000  720.312  154.850  ?   ?   198.796   22.039      ?      ? 
1 1 1   -4    7   41 o  131.535   21.441  316.718   99.682   0.0000   0.0000  316.718   99.682  ?   ?   131.535   21.441      ?      ? 
1 1 1   -4    7   43 o  140.194   21.622  363.771  107.141   0.0000   0.0000  363.771  107.141  ?   ?   140.194   21.622      ?      ? 
1 1 1   -4    7   45 o   87.677   21.959  150.540   67.901   0.0000   0.0000  150.540   67.901  ?   ?    87.677   21.959      ?      ? 
1 1 1   -4    7   47 o   50.633   17.365   45.489   37.475   0.0000   0.0000   45.489   37.475  ?   ?    50.633   17.365      ?      ? 
1 1 1   -4    8    4 o  349.860   23.967  2173.53  296.365  2173.53  296.365   0.0000   0.0000  349.860   23.967  ?   ?       ?      ? 
1 1 1   -4    8    6 o  244.110   13.775  1051.73  112.296  1069.47  194.408  1042.86  137.567  245.535   22.402  242.686   16.038 2.849396 27.55095 
1 1 1   -4    8    8 o  862.747   18.600 13217.00  567.090 12934.38  801.952 13499.66  802.020  853.478   26.585  872.016   26.022 -18.53760 37.20087 
1 1 1   -4    8   10 o  1322.33   25.999 31154.27  1215.10 31043.76  1718.39 31264.78  1718.43  1319.97   36.833  1324.70   36.702 -4.728760 51.99755 
1 1 1   -4    8   12 o  407.662   11.747  2947.72  168.709  2674.71  238.539  3220.98  238.643  388.706   17.363  426.618   15.827 -37.91235 23.49354 
1 1 1   -4    8   14 o  1506.57   40.900 40865.90  2177.65 41497.20  3079.67 40234.61  3079.64  1518.42   57.384  1494.71   58.294 23.71094 81.79912 
1 1 1   -4    8   16 o  453.653   16.052  3685.75  241.330  3759.82  295.599  3537.69  417.910  460.806   18.149  446.500   26.481 14.30655 32.10401 
1 1 1   -4    8   18 o  261.861   11.164  1214.09  103.291  1248.37  146.027  1179.76  146.124  265.568   15.557  258.155   16.015 7.413239 22.32731 
1 1 1   -4    8   20 o  960.932   19.406 16418.45  658.820 15885.53  931.685 16951.42  931.738  945.240   27.887  976.623   26.993 -31.38318 38.81120 
1 1 1   -4    8   22 o  755.175   23.729 10195.87  632.541  9605.24  894.412 10786.86  894.684  733.041   34.521  777.309   32.565 -44.26776 47.45768 
1 1 1   -4    8   24 o  502.042   16.952  4503.82  282.927  4435.27  490.020  4538.10  346.521  498.538   27.810  505.545   19.393 -7.007324 33.90389 
1 1 1   -4    8   26 o  279.565   14.531  1421.32  133.774  1308.89  231.639  1477.58  163.861  270.671   24.213  288.460   16.072 -17.78824 29.06166 
1 1 1   -4    8   28 o  188.315   13.517  659.600   82.744  560.985  143.206  709.023  101.380  176.895   22.905  199.735   14.361 -22.84062 27.03445 
1 1 1   -4    8   30 o  140.883   14.095  383.105   61.638  302.708  106.621  423.461   75.540  127.492   24.552  154.275   13.854 -26.78268 28.19094 
1 1 1   -4    8   32 o  420.999   15.828  3305.94  217.481  2901.10  376.551  3508.58  266.407  399.151   26.691  442.847   17.020 -43.69632 31.65614 
1 1 1   -4    8   34 f  385.509   17.594  2705.64  239.708  2662.54  338.887  2748.79  339.110  382.348   25.077  388.670   24.685 -6.322357 35.18844 
1 1 1   -4    8   36 o  192.671   21.891  672.854  149.071   0.0000   0.0000  672.854  149.071  ?   ?   192.671   21.891      ?      ? 
1 1 1   -4    8   38 o  564.270   29.706  5936.59  592.443   0.0000   0.0000  5936.59  592.443  ?   ?   564.270   29.706      ?      ? 
1 1 1   -4    8   40 o   32.966   12.638   13.164   20.629   0.0000   0.0000   13.164   20.629  ?   ?    32.966   12.638      ?      ? 
1 1 1   -4    8   42 o   84.917   21.602  137.981   64.988   0.0000   0.0000  137.981   64.988  ?   ?    84.917   21.602      ?      ? 
1 1 1   -4    9    1 o  943.459   19.979 15817.90  666.013 16264.43  941.853 15371.31  941.916  956.851   27.850  930.067   28.654 26.78381 39.95777 
1 1 1   -4    9    3 o  329.104   14.279  1901.16  157.301  1864.07  192.666  1975.32  272.415  324.473   16.800  333.736   23.094 -9.263794 28.55856 
1 1 1   -4    9    5 o  1047.69   25.792 19345.89  904.906 18899.77  1108.30 20238.06  1567.29  1031.11   30.411  1064.26   41.666 -33.14807 51.58379 
1 1 1   -4    9    7 o  562.884   20.233  5627.10  402.499  5549.39  569.226  5704.79  569.214  558.978   28.812  566.789   28.414 -7.811035 40.46574 
1 1 1   -4    9    9 o  619.641   21.248  6820.84  465.328  6760.01  658.077  6881.66  658.068  616.863   30.183  622.418   29.914 -5.554443 42.49540 
1 1 1   -4    9   11 f  544.636   17.451  5234.74  317.444  5336.98  549.727  5183.59  388.825  548.310   28.366  540.963   20.336 7.346497 34.90262 
1 1 1   -4    9   13 o  801.544   21.512 11173.44  580.008 12186.30  1004.52 10666.88  710.392  827.646   34.339  775.441   25.920 52.20575 43.02353 
1 1 1   -4    9   15 o  476.295   16.199  4009.78  257.448  3985.57  315.327  4058.16  445.862  474.391   18.806  478.199   26.380 -3.807495 32.39711 
1 1 1   -4    9   17 o  600.887   14.665  6404.61  311.081  6039.17  439.868  6770.28  440.003  583.674   21.322  618.099   20.141 -34.42426 29.33068 
1 1 1   -4    9   19 o  552.979   13.904  5422.70  271.569  5196.23  383.964  5649.38  384.148  541.387   20.066  564.571   19.251 -23.18463 27.80756 
1 1 1   -4    9   21 o  374.454   14.968  2497.06  186.419  2513.69  228.333  2463.82  322.839  376.609   17.154  372.299   24.534 4.309448 29.93625 
1 1 1   -4    9   23 o   82.668   14.012  130.334   39.195  106.957   67.277  142.345   48.224   77.090   22.970   88.246   16.053 -11.15539 28.02314 
1 1 1   -4    9   25 o  371.687   11.515  2459.37  150.693  2209.68  212.991  2709.63  213.234  352.659   17.088  390.714   15.441 -38.05441 23.03085 
1 1 1   -4    9   27 o  448.621   16.109  3627.73  239.917  3542.75  415.394  3670.26  293.891  443.565   26.496  453.678   18.328 -10.11246 32.21749 
1 1 1   -4    9   29 o  599.896   21.096  6558.10  447.016  6296.56  632.090  6819.79  632.261  587.560   30.437  612.232   29.219 -24.67206 42.19196 
1 1 1   -4    9   31 o  345.278   14.562  2301.93  159.753  1743.32  276.399  2582.15  195.764  309.988   25.227  380.568   14.554 -70.57983 29.12446 
1 1 1   -4    9   33 o  340.862   14.659  2152.37  163.772  1934.10  283.453  2261.75  200.652  326.138   24.590  355.586   15.965 -29.44843 29.31827 
1 1 1   -4    9   35 o  282.439   15.973  1448.85  159.222  1361.02  225.059  1536.87  225.290  273.635   23.270  291.243   21.886 -17.60828 31.94536 
1 1 1   -4    9   37 o  106.230   22.289  212.617   81.016   0.0000   0.0000  212.617   81.016  ?   ?   106.230   22.289      ?      ? 
1 1 1   -4    9   45 o   83.250   21.795  137.441   64.884   0.0000   0.0000  137.441   64.884  ?   ?    83.250   21.795      ?      ? 
1 1 1   -4    9   47 o  127.550   23.659  335.101  102.733   0.0000   0.0000  335.101  102.733  ?   ?   127.550   23.659      ?      ? 
1 1 1   -4   10    2 f  507.451   13.638  4560.78  244.592  4621.56  345.861  4499.96  345.949  510.841   19.156  504.061   19.418 6.780182 27.27642 
1 1 1   -4   10    4 o  174.153   10.693  537.098   65.740  506.197   92.908  568.083   93.033  169.126   15.542  179.180   14.690 -10.05376 21.38626 
1 1 1   -4   10    6 o  967.180   19.878 16616.14  678.820 15751.24  959.914 17481.34  960.080  941.875   28.835  992.485   27.369 -50.61005 39.75588 
1 1 1   -4   10    8 o  448.667   12.992  3564.24  206.021  3592.47  291.296  3535.98  291.419  450.448   18.297  446.885   18.450 3.562561 25.98418 
1 1 1   -4   10   10 o  1480.70   34.589 39166.62  1707.61 38964.03  2091.41 39571.77  2957.62  1478.22   40.029  1483.18   56.420 -4.961548 69.17747 
1 1 1   -4   10   12 o  795.130   24.691 11253.31  693.815 11046.88  981.212 11459.73  981.194  787.785   35.240  802.476   34.594 -14.69067 49.38227 
1 1 1   -4   10   14 o  780.961   24.390 10859.74  673.228 10930.21  952.107 10789.27  952.069  783.514   34.381  778.408   34.605 5.105896 48.78089 
1 1 1   -4   10   16 f  738.343   19.945  9934.17  483.800  8997.00  837.687 10403.22  592.631  710.729   33.347  765.957   21.891 -55.22870 39.89022 
1 1 1   -4   10   18 o  955.164   24.338 16358.43  772.305 16040.60  1337.50 16517.40  945.938  946.576   39.978  963.753   27.770 -17.17639 48.67642 
1 1 1   -4   10   20 o  667.011   15.226  7901.89  358.718  7570.50  507.178  8233.61  507.429  652.948   21.977  681.074   21.080 -28.12616 30.45193 
1 1 1   -4   10   22 o  521.484   15.112  4600.97  267.176  4071.89  326.992  5663.62  463.415  478.845   19.321  564.122   23.242 -85.27673 30.22394 
1 1 1   -4   10   24 o  752.820   16.390 10123.13  435.642  9590.22  615.981 10656.41  616.202  732.786   23.783  772.854   22.558 -40.06750 32.77980 
1 1 1   -4   10   26 o  286.285   14.199  1484.82  134.344  1525.23  164.544  1404.02  232.669  292.785   15.901  279.786   23.528 12.99878 28.39740 
1 1 1   -4   10   28 o  144.231   9.6985  370.436   49.336  342.056   69.639  399.035   69.906  138.644   14.211  149.818   13.202 -11.17386 19.39703 
1 1 1   -4   10   30 o  338.863   14.059  2172.58  153.622  1769.55  265.634  2375.12  188.307  312.726   24.032  365.001   14.597 -52.27454 28.11797 
1 1 1   -4   10   32 o  387.725   17.453  2734.73  238.959  2603.50  337.821  2866.15  338.057  378.146   25.276  397.304   24.074 -19.15817 34.90598 
1 1 1   -4   10   34 o  235.569   15.924  1006.72  132.580  1011.92  187.109  1001.47  187.885  236.210   22.412  234.929   22.627 1.280334 31.84796 
1 1 1   -4   10   36 o   84.666   21.590  135.062   64.807   0.0000   0.0000  135.062   64.807  ?   ?    84.666   21.590      ?      ? 
1 1 1   -4   10   40 o   49.413   16.962   40.708   35.757   0.0000   0.0000   40.708   35.757  ?   ?    49.413   16.962      ?      ? 
1 1 1   -4   10   42 o  244.386   22.985  1117.68  198.533   0.0000   0.0000  1117.68  198.533  ?   ?   244.386   22.985      ?      ? 
1 1 1   -4   10   44 o  114.469   22.957  258.208   89.650   0.0000   0.0000  258.208   89.650  ?   ?   114.469   22.957      ?      ? 
1 1 1   -4   10   46 o   46.547   16.460   36.921   33.813   0.0000   0.0000   36.921   33.813  ?   ?    46.547   16.460      ?      ? 
1 1 1   -4   11    1 o  506.388   13.519  4541.32  241.940  4622.75  342.110  4459.85  342.201  510.939   18.944  501.838   19.293 9.101593 27.03885 
1 1 1   -4   11    3 o  1305.56   25.107 30341.91  1158.12 29392.40  1637.75 31291.61  1637.91  1284.98   36.060  1326.14   34.945 -41.15735 50.21442 
1 1 1   -4   11    5 o  127.949   10.450  289.674   47.256  291.921   66.764  287.418   66.897  128.447   14.706  127.451   14.850 0.9958649 20.89998 
1 1 1   -4   11    7 o  474.336   12.721  3985.65  213.083  3792.76  301.249  4178.79  301.441  462.823   18.416  485.849   17.554 -23.02548 25.44188 
1 1 1   -4   11    9 o  977.590   20.453 16972.63  706.636 17247.01  999.268 16698.17  999.401  985.532   28.687  969.647   29.161 15.88507 40.90650 
1 1 1   -4   11   11 o  640.678   15.159  7274.55  343.261  7244.73  485.347  7304.39  485.542  639.361   21.478  641.995   21.398 -2.633789 30.31777 
1 1 1   -4   11   13 o  773.087   20.890 10590.81  538.842 10522.57  659.950 10727.28  933.285  770.107   24.246  776.068   34.025 -5.961243 41.77975 
1 1 1   -4   11   15 o  424.558   15.410  3172.05  218.805  3121.19  267.983  3273.78  378.974  419.733   18.064  429.384   24.971 -9.650909 30.82014 
1 1 1   -4   11   17 o  340.838   16.843  2063.48  202.872  2108.27  286.906  2018.69  286.902  344.556   23.559  337.120   24.078 7.436005 33.68686 
1 1 1   -4   11   19 o  789.034   24.672 11142.67  688.049 11099.20  973.071 11186.13  973.024  787.476   34.961  790.593   34.822 -3.117798 49.34414 
1 1 1   -4   11   21 o  460.389   16.341  3818.99  249.068  3640.88  431.096  3908.24  305.152  451.614   27.008  469.165   18.402 -17.55096 32.68107 
1 1 1   -4   11   23 o  610.589   30.138  6706.79  650.414   0.0000   0.0000  6706.79  650.414  ?   ?   610.589   30.138      ?      ? 
1 1 1   -4   11   25 f  225.407   13.447  907.335  100.921  908.328  123.603  905.350  174.798  225.968   15.476  224.846   21.995 1.122009 26.89439 
1 1 1   -4   11   27 o  246.149   13.239  1136.26  105.543  942.520  182.324  1233.91  129.434  228.939   22.532  263.359   13.905 -34.42029 26.47750 
1 1 1   -4   11   29 o  595.109   22.022  6514.81  462.539  6894.59  653.782  6134.21  654.475  613.196   30.166  577.021   32.091 36.17578 44.04308 
1 1 1   -4   11   31 o  154.526   21.431  431.128  117.048  431.128  117.048   0.0000   0.0000  154.526   21.431  ?   ?       ?      ? 
1 1 1   -4   11   33 o  192.930   15.399  673.947  104.999  662.485  147.813  685.621  149.179  191.256   21.866  194.605   21.689 -3.349075 30.79833 
1 1 1   -4   11   35 o  105.948   12.983  221.342   43.178  164.760   73.998  250.552   53.168   93.375   22.653  118.521   12.692 -25.14523 25.96625 
1 1 1   -4   11   37 o   58.699   12.006   63.798   25.685   57.955   43.697   66.882   31.749   57.491   18.734   59.907   15.022 -2.416180 24.01298 
1 1 1   -4   11   39 o  136.471   21.532  341.786  103.858   0.0000   0.0000  341.786  103.858  ?   ?   136.471   21.532      ?      ? 
1 1 1   -4   11   41 o  103.625   22.481  206.809   79.969   0.0000   0.0000  206.809   79.969  ?   ?   103.625   22.481      ?      ? 
1 1 1   -4   11   43 o   85.838   21.891  144.657   66.623   0.0000   0.0000  144.657   66.623  ?   ?    85.838   21.891      ?      ? 
1 1 1   -4   11   45 o   41.191   15.102   26.359   28.770   0.0000   0.0000   26.359   28.770  ?   ?    41.191   15.102      ?      ? 
1 1 1   -4   12    2 o  648.165   14.726  7447.07  337.085  7105.60  476.629  7788.77  476.790  633.255   21.295  663.076   20.344 -29.82031 29.45129 
1 1 1   -4   12    4 f  920.361   19.342 15036.15  629.154 15173.24  889.696 14899.02  889.821  924.576   27.226  916.146   27.480 8.430176 38.68323 
1 1 1   -4   12    6 o  209.160   11.313  774.839   83.553  813.737  118.114  735.879  118.208  214.426   15.585  203.894   16.403 10.53204 22.62629 
1 1 1   -4   12    8 o  1421.80   27.342 36064.21  1374.00 35943.22  1943.04 36185.23  1943.22  1419.39   38.731  1424.20   38.604 -4.814575 54.68401 
1 1 1   -4   12   10 f  531.662   13.649  5009.80  256.325  4810.58  362.393  5209.25  362.603  521.055   19.678  542.270   18.919 -21.21497 27.29726 
1 1 1   -4   12   12 o  394.236   17.567  2759.35  244.760  2715.96  346.167  2802.72  346.118  391.123   25.041  397.349   24.645 -6.226379 35.13453 
1 1 1   -4   12   14 o  1257.52   30.284 28343.66  1268.41 28305.26  1553.48 28420.46  2196.93  1259.35   34.901  1255.69   49.501 3.661987 60.56789 
1 1 1   -4   12   16 o  235.192   11.805  983.321   97.703  1086.00  137.869  879.732  138.478  247.600   15.754  222.783   17.586 24.81647 23.61091 
1 1 1   -4   12   18 o  402.439   11.505  2880.73  162.736  2527.01  229.792  3236.62  230.497  377.496   17.223  427.381   15.259 -49.88477 23.01006 
1 1 1   -4   12   20 f  469.799   15.899  3897.93  249.807  3831.06  305.944  4031.66  432.693  464.369   18.641  475.229   25.761 -10.86005 31.79750 
1 1 1   -4   12   22 o  239.128   22.285  1021.26  188.353   0.0000   0.0000  1021.26  188.353  ?   ?   239.128   22.285      ?      ? 
1 1 1   -4   12   28 o  297.380   13.382  1558.04  133.389  1500.30  163.072  1674.78  231.879  289.843   15.918  304.918   21.516 -15.07529 26.76421 
1 1 1   -4   12   30 o  464.175   18.927  3937.00  310.461  4016.33  439.134  3857.72  438.984  469.006   26.491  459.344   27.039 9.662109 37.85340 
1 1 1   -4   12   32 o  222.685   13.361  888.134   99.279  879.130  121.575  906.156  172.002  221.658   15.518  223.711   21.753 -2.052811 26.72121 
1 1 1   -4   12   34 o  288.448   14.372  1503.16  138.224  1510.95  238.817  1499.23  169.500  287.900   23.470  288.997   16.594 -1.097992 28.74343 
1 1 1   -4   12   36 o  173.832   15.099  551.067   92.546  507.561  130.760  594.732  131.000  166.742   22.188  180.921   20.486 -14.17831 30.19889 
1 1 1   -4   12   38 o   29.239   7.5737   12.151   10.370   6.4119   16.220   16.118   13.486   27.427   10.995   31.050   10.418 -3.622032 15.14744 
1 1 1   -4   12   40 o   64.643   19.606   77.586   48.695   0.0000   0.0000   77.586   48.695  ?   ?    64.643   19.606      ?      ? 
1 1 1   -4   12   42 o   66.173   19.928   83.040   50.441   0.0000   0.0000   83.040   50.441  ?   ?    66.173   19.928      ?      ? 
1 1 1   -4   12   44 o   84.721   22.059  144.858   66.703   0.0000   0.0000  144.858   66.703  ?   ?    84.721   22.059      ?      ? 
1 1 1   -4   13    1 o  241.253   11.166  1030.31   95.210  1018.36  134.557  1042.29  134.737  239.850   15.873  242.656   15.710 -2.806503 22.33252 
1 1 1   -4   13    3 o  581.461   14.292  5991.41  293.720  6033.44  415.313  5949.35  415.453  583.507   20.138  579.415   20.287 4.092590 28.58457 
1 1 1   -4   13    5 o  681.253   15.763  8230.09  379.511  8109.29  536.632  8350.95  536.787  676.236   22.452  686.271   22.130 -10.03558 31.52533 
1 1 1   -4   13    7 o  978.294   20.150 17010.76  696.724 17146.23  985.229 16875.25  985.405  982.213   28.380  974.374   28.613 7.838074 40.30068 
1 1 1   -4   13    9 o  266.103   11.398  1254.60  107.098  1189.13  151.316  1320.31  151.603  259.129   16.521  273.077   15.707 -13.94757 22.79648 
1 1 1   -4   13   11 o  485.687   18.961  4193.41  325.454  4121.71  460.276  4265.10  460.246  481.510   27.045  489.863   26.582 -8.353241 37.92200 
1 1 1   -4   13   13 o  194.305   11.796  672.417   80.417  763.404  113.501  580.704  113.953  207.607   15.468  181.002   17.812 26.60513 23.59110 
1 1 1   -4   13   15 o  309.010   14.336  1705.87  147.090  1727.77  180.158  1662.09  254.738  312.239   16.325  305.781   23.570 6.458313 28.67146 
1 1 1   -4   13   17 o  553.052   20.178  5464.31  394.312  5618.11  557.622  5310.49  557.662  560.920   28.127  545.183   28.941 15.73730 40.35681 
1 1 1   -4   13   19 o  441.664   16.989  3503.82  262.389  2915.37  370.298  4097.23  371.854  403.818   25.945  479.510   21.941 -75.69229 33.97829 
1 1 1   -4   13   21 o  392.823   17.222  2766.28  238.886  2622.75  337.004  2911.23  338.675  382.448   24.931  403.198   23.765 -20.75061 34.44348 
1 1 1   -4   13   23 o  580.581   20.641  6034.25  423.559  6034.25  423.559   0.0000   0.0000  580.581   20.641  ?   ?       ?      ? 
1 1 1   -4   13   25 o  231.713   13.450  964.964  103.576  972.279  126.862  950.341  179.376  233.557   15.368  229.869   22.078 3.688660 26.90030 
1 1 1   -4   13   27 o  386.442   17.609  2710.70  240.204  2866.03  339.763  2555.48  339.637  397.808   24.165  375.075   25.620 22.73340 35.21801 
1 1 1   -4   13   29 o  310.162   16.666  1745.15  182.696  1763.72  258.444  1726.60  258.299  311.852   23.448  308.471   23.691 3.381165 33.33261 
1 1 1   -4   13   31 o  211.535   12.860  835.307   88.995  716.343  152.419  896.842  109.621  198.910   21.680  224.159   13.836 -25.24846 25.71913 
1 1 1   -4   13   33 o  247.098   16.024  1110.87  139.936  1099.18  197.925  1122.56  197.873  245.758   22.786  248.438   22.535 -2.679688 32.04717 
1 1 1   -4   13   35 o  222.414   10.955  888.199   86.112  879.216  121.293  897.328  122.276  221.277   15.509  223.552   15.475 -2.275177 21.90920 
1 1 1   -4   13   37 o  160.747   15.277  473.858   86.764  459.117  122.612  488.644  122.794  158.153   21.935  163.341   21.270 -5.188141 30.55401 
1 1 1   -4   13   39 o   98.067   15.889  174.310   55.075   0.0000   0.0000  174.310   55.075  ?   ?    98.067   15.889      ?      ? 
1 1 1   -4   13   41 o   64.497   19.656   78.318   48.860   0.0000   0.0000   78.318   48.860  ?   ?    64.497   19.656      ?      ? 
1 1 1   -4   13   43 o  116.160   23.231  271.366   92.043   0.0000   0.0000  271.366   92.043  ?   ?   116.160   23.231      ?      ? 
1 1 1   -4   14    2 o  454.715   12.858  3664.58  206.557  3532.00  292.017  3797.34  292.214  446.460   18.506  462.969   17.858 -16.50912 25.71697 
1 1 1   -4   14    4 o  320.846   11.568  1823.36  131.153  1774.50  185.397  1872.30  185.561  316.534   16.572  325.158   16.146 -8.623810 23.13692 
1 1 1   -4   14    6 o  799.461   17.665 11353.51  499.071 11583.10  705.725 11123.83  705.861  807.588   24.724  791.333   25.237 16.25415 35.32997 
1 1 1   -4   14    8 o  478.642   13.427  4062.30  227.083  4177.45  321.063  3947.03  321.225  485.453   18.712  471.831   19.262 13.62125 26.85460 
1 1 1   -4   14   10 o  1024.80   25.596 18827.97  872.713 18689.50  1511.37 18897.24  1068.93  1019.79   41.931  1029.82   29.368 -10.02502 51.19270 
1 1 1   -4   14   12 o   70.561   12.801   93.776   31.457   78.411   52.932  102.165   39.113   66.541   20.491   74.580   15.350 -8.039032 25.60260 
1 1 1   -4   14   14 o  253.438   15.745  1142.01  141.010  1109.13  198.290  1175.64  200.565  249.734   22.465  257.141   22.068 -7.407257 31.49071 
1 1 1   -4   14   16 o  350.668   15.719  2203.26  192.645  1817.23  271.159  2596.68  273.742  319.237   24.032  382.100   20.270 -62.86371 31.43872 
1 1 1   -4   14   18 f  308.935   12.783  1607.82  133.769  1406.67  163.383  2016.85  232.984  281.358   16.430  336.512   19.589 -55.15359 25.56655 
1 1 1   -4   14   20 o  310.004   11.043  1710.90  120.785  1591.90  170.462  1830.89  171.171  299.102   16.125  320.906   15.092 -21.80417 22.08522 
1 1 1   -4   14   22 o  552.635   13.949  5466.67  272.349  5292.18  384.924  5641.58  385.396  543.695   20.031  561.575   19.417 -17.87976 27.89714 
1 1 1   -4   14   24 o  100.509   17.201  184.666   69.830  314.502   97.121   45.712  100.473  132.324   20.766   68.695   27.427 63.62886 34.40181 
1 1 1   -4   14   26 o  106.868   12.423  211.543   44.769  259.850   62.744  161.442   63.898  120.691   14.709   93.045   20.023 27.64609 24.84530 
1 1 1   -4   14   28 o  347.730   11.843  2166.17  145.497  2089.59  205.276  2243.48  206.255  341.480   17.008  353.979   16.486 -12.49860 23.68649 
1 1 1   -4   14   30 o  337.765   14.790  2071.53  165.859  2089.82  203.137  2034.95  287.272  341.348   16.837  334.182   24.321 7.166138 29.58084 
1 1 1   -4   14   32 o   57.488   12.807   58.614   29.186   66.853   41.578   50.611   40.979   60.538   18.062   54.438   18.162 6.099915 25.61393 
1 1 1   -4   14   34 o  233.410   10.272  981.244   83.745  801.951  117.296  1167.67  119.604  211.277   15.708  255.544   13.242 -44.26712 20.54472 
1 1 1   -4   14   36 o  119.362   11.098  257.762   46.630  275.247   64.736  238.907   67.225  123.713   14.805  115.010   16.538 8.702629 22.19643 
1 1 1   -4   14   38 o  129.555   21.543  310.520   98.644   0.0000   0.0000  310.520   98.644  ?   ?   129.555   21.543      ?      ? 
1 1 1   -4   14   40 o  110.368   22.778  237.513   85.906   0.0000   0.0000  237.513   85.906  ?   ?   110.368   22.778      ?      ? 
1 1 1   -4   14   42 o   86.651   22.124  150.784   67.992   0.0000   0.0000  150.784   67.992  ?   ?    86.651   22.124      ?      ? 
1 1 1   -4   15    1 o  593.194   14.695  6244.74  308.066  6332.00  435.603  6157.42  435.738  597.358   20.632  589.030   20.930 8.327698 29.38931 
1 1 1   -4   15    3 o  434.234   13.086  3345.54  200.640  3515.72  283.699  3175.24  283.798  445.327   18.024  423.141   18.976 22.18503 26.17180 
1 1 1   -4   15    5 o  817.686   17.953 11892.77  518.744 12172.17  733.536 11613.26  733.693  827.356   25.085  808.016   25.691 19.33984 35.90611 
1 1 1   -4   15    7 o  679.605   19.694  8267.75  444.725  8107.67  770.097  8347.85  544.742  673.705   32.341  685.506   22.483 -11.80151 39.38842 
1 1 1   -4   15    9 o  154.217   14.964  438.599   76.097  297.682  107.093  582.311  108.149  127.207   24.710  181.228   16.884 -54.02161 29.92746 
1 1 1   -4   15   11 o  387.624   24.744  2676.41  338.995  2676.41  338.995   0.0000   0.0000  387.624   24.744  ?   ?       ?      ? 
1 1 1   -4   15   13 o  327.257   14.013  1870.88  153.747  1802.87  187.964  2008.36  267.258  318.715   16.686  335.798   22.518 -17.08261 28.02655 
1 1 1   -4   15   15 o  612.335   14.303  6686.60  308.922  6194.84  436.614  7179.56  437.151  589.588   20.952  635.082   19.475 -45.49335 28.60551 
1 1 1   -4   15   17 o  420.122   12.754  3144.40  189.345  3219.47  267.529  3069.05  268.020  425.191   17.802  415.054   18.270 10.13641 25.50892 
1 1 1   -4   15   19 o   40.100   9.7568   24.715   16.017   21.534   19.636   31.040   27.689   36.550   12.568   43.649   14.927 -7.099270 19.51367 
1 1 1   -4   15   21 o  578.355   14.389  5996.92  294.094  5886.61  415.666  6107.50  416.158  572.957   20.526  583.753   20.170 -10.79626 28.77758 
1 1 1   -4   15   23 o  366.207   11.270  2400.69  145.174  2128.14  204.906  2675.39  205.711  345.073   16.801  387.340   15.026 -42.26642 22.53977 
1 1 1   -4   15   25 o  492.619   17.991  4433.27  310.683  3789.25  438.415  5082.94  440.335  455.499   27.232  529.739   23.518 -74.23978 35.98160 
1 1 1   -4   15   27 o  408.021   12.619  2988.38  181.975  2989.96  257.042  2986.80  257.663  408.139   17.819  407.904   17.872 0.2347717 25.23721 
1 1 1   -4   15   29 o   50.761   11.058   46.603   21.290   50.414   26.058   38.948   36.926   52.229   13.879   49.294   17.219 2.935223 22.11590 
1 1 1   -4   15   31 o  212.159   11.222  807.445   84.139  804.602  117.974  810.387  120.032  211.801   15.759  212.517   15.980 -0.7158966 22.44383 
1 1 1   -4   15   33 o  123.393   13.684  276.405   55.005  269.392   67.364  290.432   95.280  122.457   15.564  124.328   22.511 -1.871307 27.36801 
1 1 1   -4   15   35 o   69.695   14.346   90.591   37.575   82.084   53.237   99.036   53.042   66.852   20.544   72.538   20.029 -5.686623 28.69197 
1 1 1   -4   15   37 o   88.893   11.122  144.486   34.137  130.272   46.473  161.144   50.310   83.382   16.353   94.405   15.078 -11.02240 22.24346 
1 1 1   -4   15   39 f   75.677   21.001  110.701   58.152   0.0000   0.0000  110.701   58.152  ?   ?    75.677   21.001      ?      ? 
1 1 1   -4   15   41 f  120.318   23.253  289.941   95.306   0.0000   0.0000  289.941   95.306  ?   ?   120.318   23.253      ?      ? 
1 1 1   -4   16    2 o  401.791   17.956  2864.44  254.990   0.0000   0.0000  2864.44  254.990  ?   ?   401.791   17.956      ?      ? 
1 1 1   -4   16    4 o  377.773   17.843  2547.36  237.577  2762.01  335.763  2332.15  336.208  393.872   24.119  361.674   26.301 32.19879 35.68556 
1 1 1   -4   16    6 o  175.973   14.421  555.169   88.354  443.737  124.495  668.249  125.412  157.928   22.303  194.018   18.288 -36.09009 28.84282 
1 1 1   -4   16    8 o  601.566   18.235  6459.81  365.181  6462.74  447.115  6453.94  632.903  602.764   20.987  600.367   29.826 2.396729 36.47007 
1 1 1   -4   16   10 o  346.410   14.545  2120.72  168.431  2089.95  206.293  2182.25  291.707  343.056   17.014  349.765   23.597 -6.709076 29.09073 
1 1 1   -4   16   12 o  600.444   14.728  6426.72  312.568  6440.38  441.867  6413.04  442.208  601.090   20.798  599.797   20.859 1.292480 29.45661 
1 1 1   -4   16   14 o  408.817   12.774  2978.09  184.450  3097.53  260.668  2858.31  261.037  417.098   17.682  400.537   18.439 16.56082 25.54701 
1 1 1   -4   16   16 o  465.161   12.887  3861.58  211.744  3708.38  299.230  4015.23  299.673  455.833   18.573  474.490   17.869 -18.65701 25.77311 
1 1 1   -4   16   18 o  423.494   12.632  3203.12  189.061  3150.75  267.107  3255.70  267.641  419.992   17.994  426.995   17.734 -7.002899 25.26412 
1 1 1   -4   16   20 o  491.261   13.476  4323.24  233.984  4332.46  330.608  4313.99  331.198  491.799   19.020  490.724   19.095 1.075623 26.95162 
1 1 1   -4   16   22 o  174.661   13.243  547.407   76.982  547.959   94.272  546.304  133.367  175.228   15.222  174.094   21.674 1.133987 26.48530 
1 1 1   -4   16   24 o  332.262   11.967  1977.41  140.519  2009.41  198.327  1945.16  199.123  335.006   16.750  329.517   17.097 5.489594 23.93463 
1 1 1   -4   16   26 o   59.615   12.058   65.711   26.326   59.549   42.964   69.415   33.312   58.099   18.544   61.131   15.420 -3.031460 24.11699 
1 1 1   -4   16   28 o  327.480   11.786  1924.44  136.367  1973.77  192.153  1874.40  193.560  331.790   16.386  323.169   16.946 8.621582 23.57232 
1 1 1   -4   16   30 o  160.172   11.105  461.458   62.696  484.109   87.032  437.024   90.394  164.377   14.980  155.968   16.398 8.409180 22.21021 
1 1 1   -4   16   32 o  288.115   11.344  1493.25  115.512  1484.60  162.278  1502.13  164.461  287.288   15.982  288.941   16.104 -1.652252 22.68817 
1 1 1   -4   16   34 o   77.275   12.030  113.772   31.820  125.794   42.420   98.303   48.119   82.354   15.131   72.196   18.706 10.15767 24.05949 
1 1 1   -4   16   36 o  256.381   13.516  1179.56  116.442  1123.81  142.566  1291.29  201.812  248.796   16.213  263.966   21.631 -15.16960 27.03247 
1 1 1   -4   16   38 o  117.543   16.277  269.738   65.174  248.525   92.166  290.954   92.174  112.390   23.935  122.696   22.066 -10.30625 32.55468 
1 1 1   -4   16   40 o  284.757   24.432  1603.21  245.898   0.0000   0.0000  1603.21  245.898  ?   ?   284.757   24.432      ?      ? 
1 1 1   -4   17    1 o  238.940   22.264  1017.88  188.022  1017.88  188.022   0.0000   0.0000  238.940   22.264  ?   ?       ?      ? 
1 1 1   -4   17    3 o  363.804   24.330  2363.94  312.848  2363.94  312.848   0.0000   0.0000  363.804   24.330  ?   ?       ?      ? 
1 1 1   -4   17    5 o  197.443   15.341  695.630  106.919  736.206  151.242  655.092  151.171  203.254   21.053  191.631   22.319 11.62251 30.68192 
1 1 1   -4   17    7 o  247.484   13.536  1127.07  109.532  989.477  189.492  1196.11  134.229  235.375   22.778  259.592   14.630 -24.21646 27.07119 
1 1 1   -4   17    9 o  633.455   21.694  7246.46  485.385  7544.94  686.498  6948.08  686.378  646.783   30.030  620.127   31.316 26.65631 43.38776 
1 1 1   -4   17   11 o   69.565   10.290   89.015   24.506   75.301   33.987  103.865   35.367   63.816   15.272   75.313   13.795 -11.49624 20.58017 
1 1 1   -4   17   13 o  136.133   9.6604  333.005   45.566  256.272   64.104  411.370   64.782  120.020   15.112  152.247   12.039 -32.22693 19.32085 
1 1 1   -4   17   15 o  526.095   13.840  4953.21  257.335  5004.04  363.736  4902.27  364.118  528.835   19.460  523.355   19.685 5.480042 27.67993 
1 1 1   -4   17   17 o  443.375   12.509  3516.27  195.783  3312.58  276.570  3720.88  277.188  430.353   18.183  456.397   17.184 -26.04373 25.01771 
1 1 1   -4   17   19 o  102.702   10.386  187.917   37.686  180.977   52.584  195.247   54.038  100.749   14.767  104.655   14.609 -3.906372 20.77230 
1 1 1   -4   17   21 o  185.267   13.408  621.758   82.318  632.437  100.826  600.410  142.559  188.206   15.157  182.329   22.122 5.877167 26.81628 
1 1 1   -4   17   23 o  241.118   10.589  1040.52   89.887  930.469  126.537  1152.61  127.709  228.096   15.696  254.139   14.218 -26.04237 21.17780 
1 1 1   -4   17   25 o  360.115   15.892  2419.92  186.690  2546.19  228.047  2163.34  325.078  376.709   17.128  343.522   26.774 33.18777 31.78370 
1 1 1   -4   17   27 o  157.243   10.127  440.632   56.098  393.274   77.265  493.429   81.580  148.281   14.743  166.205   13.887 -17.92378 20.25350 
1 1 1   -4   17   29 o  211.620   10.614  802.191   79.330  759.911  110.759  846.726  113.676  205.855   15.223  217.384   14.795 -11.52834 21.22819 
1 1 1   -4   17   31 o  313.518   13.908  1769.81  146.400  1836.68  251.281  1735.45  180.129  316.671   22.451  310.365   16.421 6.305206 27.81505 
1 1 1   -4   17   33 f  123.308   13.664  284.246   54.128  290.155   66.314  272.451   93.690  126.940   14.781  119.677   22.985 7.263115 27.32709 
1 1 1   -4   17   35 o  211.328   13.883  820.897   98.626  825.401  167.307  818.498  122.096  210.455   22.492  212.201   16.279 -1.746567 27.76538 
1 1 1   -4   18    2 o  643.181   15.395  7400.25  349.973  7408.51  494.858  7391.98  495.014  643.546   21.756  642.816   21.788 0.7295532 30.79010 
1 1 1   -4   18    4 o  125.222   10.397  278.820   45.976  264.664   64.896  293.085   65.146  122.013   15.048  128.432   14.351 -6.418854 20.79472 
1 1 1   -4   18    6 o  130.927   12.928  305.290   56.418  304.393   69.099  307.084   97.716  130.838   14.942  131.015   21.102 -0.1774445 25.85666 
1 1 1   -4   18    8 o  196.934   15.385  695.276  107.006  726.295  151.366  664.288  151.293  201.388   21.265  192.481   22.239 8.907104 30.76985 
1 1 1   -4   18   10 o  182.184   15.338  595.395   98.745  582.616  139.678  608.162  139.614  180.200   21.931  184.168   21.448 -3.968567 30.67558 
1 1 1   -4   18   12 o  371.732   14.881  2429.57  186.012  2639.19  321.904  2324.49  227.917  382.755   23.795  360.708   17.877 22.04758 29.76232 
1 1 1   -4   18   14 o  118.938   11.279  254.050   46.975  291.792   66.183  215.732   66.686  127.989   14.630  109.887   17.170 18.10161 22.55780 
1 1 1   -4   18   16 o   63.591   9.2112   73.039   20.373   57.510   27.939   90.672   29.772   55.754   14.153   71.428   11.793 -15.67390 18.42240 
1 1 1   -4   18   18 o  303.805   11.282  1650.24  121.031  1563.84  170.868  1737.24  171.460  295.737   16.347  311.873   15.555 -16.13678 22.56487 
1 1 1   -4   18   20 o  185.866   11.682  622.596   76.021  714.960  107.069  528.694  107.957  200.053   15.143  171.679   17.792 28.37349 23.36316 
1 1 1   -4   18   22 o  255.433   10.978  1167.46   99.016  1102.39  139.424  1233.67  140.642  248.176   15.895  262.690   15.148 -14.51430 21.95689 
1 1 1   -4   18   24 o  545.888   13.945  5376.97  268.964  5206.18  379.967  5548.50  380.780  537.029   20.018  554.747   19.420 -17.71759 27.89060 
1 1 1   -4   18   26 o  193.003   17.535  691.216  117.710  803.765  163.414  569.844  169.698  210.277   21.987  175.729   27.322 34.54825 35.07054 
1 1 1   -4   18   28 o  132.773   12.997  331.869   57.362  405.038   78.675  248.833   83.812  150.305   14.810  115.241   21.364 35.06337 25.99475 
1 1 1   -4   18   30 o  189.527   15.583  658.092  104.386  662.152  147.517  654.021  147.731  190.139   21.951  188.916   22.125 1.223816 31.16653 
1 1 1   -4   18   32 o  110.355   16.824  225.402   62.215  196.102   78.371  275.336  102.310  101.213   22.492  119.498   25.026 -18.28539 33.64752 
1 1 1   -4   18   34 o   87.636   21.943  148.443   67.815  148.443   67.815   0.0000   0.0000   87.636   21.943  ?   ?       ?      ? 
1 1 1   -4   18   36 o   26.451   10.732   5.3175   15.653   5.3175   15.653   0.0000   0.0000   26.451   10.732  ?   ?       ?      ? 
1 1 1   -4   18   38 o   73.094   14.842  106.204   40.426   98.654   56.943  113.877   57.403   70.622   21.153   75.565   20.825 -4.942932 29.68316 
1 1 1   -4   19    1 o  223.387   11.211  889.795   88.439  932.369  125.014  847.144  125.130  228.785   15.460  217.989   16.241 10.79588 22.42261 
1 1 1   -4   19    3 o  133.657   10.356  317.962   48.923  315.472   69.080  320.468   69.296  133.130   14.681  134.184   14.611 -1.054520 20.71271 
1 1 1   -4   19    5 o  274.562   11.335  1343.92  109.995  1326.59  155.469  1361.29  155.643  272.775   16.126  276.348   15.935 -3.572937 22.67078 
1 1 1   -4   19    7 f  192.012   13.622  658.236   87.285  665.714  150.956  654.479  106.982  192.423   22.196  191.602   15.798 0.8213806 27.24387 
1 1 1   -4   19    9 o  222.263   10.809  880.661   84.890  855.985  119.900  905.464  120.205  219.116   15.482  225.410   15.088 -6.293610 21.61792 
1 1 1   -4   19   11 o  231.255   13.867  974.632  105.839  1004.52  129.637  914.890  183.289  237.307   15.456  225.203   23.027 12.10417 27.73346 
1 1 1   -4   19   13 o   79.618   12.837  123.039   34.628  139.571   42.445   90.133   59.882   88.530   13.565   70.707   21.798 17.82312 25.67437 
1 1 1   -4   19   15 o  153.350   15.098  424.931   81.534  466.039  115.360  383.898  115.254  160.926   20.282  145.774   22.369 15.15207 30.19511 
1 1 1   -4   19   17 o  376.831   14.958  2564.26  187.661  2557.13  324.602  2567.83  229.991  375.110   24.483  378.551   17.190 -3.440277 29.91523 
1 1 1   -4   19   19 o  419.261   15.499  3167.81  216.850  3221.31  375.140  3140.96  265.747  420.300   25.253  418.222   17.978 2.077728 30.99879 
1 1 1   -4   19   21 o   90.301   11.217  148.814   34.908  157.146   48.398  139.779   50.398   93.774   14.602   86.828   17.031 6.946579 22.43371 
1 1 1   -4   19   23 o  123.396   10.649  272.082   46.342  248.079   64.292  298.038   66.857  117.699   15.455  129.093   14.653 -11.39395 21.29700 
1 1 1   -4   19   25 o  372.137   15.032  2499.45  186.753  2464.33  228.696  2569.73  323.544  369.896   17.493  374.378   24.451 -4.481995 30.06442 
1 1 1   -4   19   27 o   87.262   16.591  142.712   51.228  137.033   65.134  151.922   82.950   85.074   21.617   89.451   25.174 -4.376503 33.18188 
1 1 1   -4   19   29 o  303.049   24.953  1704.68  267.272   0.0000   0.0000  1704.68  267.272  ?   ?   303.049   24.953      ?      ? 
1 1 1   -4   19   31 o  105.564   16.653  230.169   54.517  250.497   62.711  167.275  110.308  117.773   15.065   93.355   29.704 24.41876 33.30601 
1 1 1   -4   19   33 o  119.219   13.335  259.800   52.029  247.944   63.741  283.470   90.065  116.771   15.444  121.666   21.742 -4.894928 26.66926 
1 1 1   -4   19   35 o   72.721   12.993   99.753   32.058   94.609   39.315  109.962   55.381   70.368   16.150   75.074   20.358 -4.706558 25.98572 
1 1 1   -4   19   37 o  125.032   16.280  312.891   70.376  292.566   99.517  333.225   99.537  119.384   24.408  130.679   21.551 -11.29428 32.56057 
1 1 1   -4   20    2 o  190.075   11.050  644.916   74.195  666.948  104.815  622.788  105.041  193.363   15.337  186.786   15.911 6.577393 22.09907 
1 1 1   -4   20    4 o   77.376   9.9179  109.415   26.232   85.596   36.797  134.027   37.404   67.926   15.649   86.827   12.188 -18.90135 19.83575 
1 1 1   -4   20    6 o  393.446   12.428  2770.47  172.825  2746.51  244.321  2794.48  244.503  391.723   17.647  395.169   17.506 -3.445862 24.85666 
1 1 1   -4   20    8 o  533.806   17.481  5182.42  309.966  5215.40  379.639  5116.48  536.847  538.721   19.938  528.891   28.719 9.830017 34.96137 
1 1 1   -4   20   10 o  171.507   11.084  526.491   66.998  570.161   94.590  482.527   94.909  178.738   14.973  164.275   16.346 14.46306 22.16726 
1 1 1   -4   20   12 o  490.362   13.258  4318.85  229.704  4190.18  324.673  4447.80  325.028  482.934   19.021  497.790   18.474 -14.85565 26.51577 
1 1 1   -4   20   14 o  252.401   10.913  1139.90   97.170  1057.09  137.174  1223.31  137.665  243.090   15.966  261.712   14.883 -18.62273 21.82644 
1 1 1   -4   20   16 f  400.728   15.699  2954.43  207.483  3045.50  254.142  2772.41  359.291  411.988   17.453  389.467   26.101 22.52032 31.39850 
1 1 1   -4   20   18 o  329.339   14.349  1932.36  158.320  1878.55  193.892  2039.99  274.247  323.605   16.952  335.074   23.157 -11.46906 28.69873 
1 1 1   -4   20   20 o  192.828   15.476  674.972  105.317  633.373  148.855  716.667  149.027  186.720   22.555  198.935   21.195 -12.21555 30.95117 
1 1 1   -4   20   22 o  448.596   26.648  3710.21  422.516   0.0000   0.0000  3710.21  422.516  ?   ?   448.596   26.648      ?      ? 
1 1 1   -4   20   24 o  357.271   25.087  2350.18  316.791   0.0000   0.0000  2350.18  316.791  ?   ?   357.271   25.087      ?      ? 
1 1 1   -4   20   26 o  181.770   15.383  594.175   98.829  594.175   98.829   0.0000   0.0000  181.770   15.383  ?   ?       ?      ? 
1 1 1   -4   20   28 o  150.682   11.258  410.985   59.810  428.366   82.982  392.193   86.282  154.142   15.231  147.221   16.582 6.921387 22.51563 
1 1 1   -4   20   30 o  149.589   10.851  403.028   57.217  372.329   77.691  439.413   84.581  143.401   15.328  155.777   15.362 -12.37550 21.70152 
1 1 1   -4   20   32 o  142.085   10.758  364.800   53.494  299.449   72.533  442.744   79.213  128.008   16.032  156.163   14.352 -28.15503 21.51698 
1 1 1   -4   20   34 o  189.098   10.443  656.947   68.372  497.247   93.971  836.585   99.665  163.921   16.220  214.275   13.160 -50.35388 20.88675 
1 1 1   -4   20   36 o   40.427   10.623   24.671   20.255   26.141   28.621   23.196   28.669   40.982   15.057   39.872   14.989 1.109730 21.24540 
1 1 1   -4   21    1 o  219.016   10.895  856.930   84.339  861.862  119.194  851.984  119.354  219.656   15.353  218.377   15.464 1.279327 21.79069 
1 1 1   -4   21    3 o  188.327   11.215  635.840   74.326  703.062  105.052  568.463  105.174  198.439   14.978  178.215   16.697 20.22371 22.43082 
1 1 1   -4   21    5 o  304.818   11.638  1662.63  125.380  1659.30  177.222  1665.96  177.408  304.511   16.466  305.125   16.450 -0.6145935 23.27551 
1 1 1   -4   21    7 o  327.733   16.785  1923.43  194.429  1923.43  194.429   0.0000   0.0000  327.733   16.785  ?   ?       ?      ? 
1 1 1   -4   21    9 o  245.658   11.095  1079.17   96.336  1078.34  136.072  1080.01  136.408  245.565   15.678  245.750   15.705 -0.1846466 22.19058 
1 1 1   -4   21   11 o  283.619   11.600  1442.45  116.056  1542.82  163.996  1341.75  164.260  293.651   15.801  273.586   16.987 20.06500 23.19972 
1 1 1   -4   21   13 o  150.770   11.671  412.481   61.038  499.944   86.063  323.960   86.582  167.288   14.556  134.252   18.247 33.03687 23.34113 
1 1 1   -4   21   15 o  511.286   13.778  4713.98  248.882  4554.09  351.748  4874.28  352.196  502.434   19.808  520.139   19.158 -17.70541 27.55655 
1 1 1   -4   21   17 o  608.479   19.029  6839.60  383.997  6696.12  664.502  6911.54  470.512  599.466   31.363  617.492   21.559 -18.02606 38.05755 
1 1 1   -4   21   19 o  220.055   15.938  882.209  123.935  890.339  174.127  873.862  176.436  221.159   22.276  218.951   22.799 2.207596 31.87537 
1 1 1   -4   21   21 o  285.064   14.689  1504.03  137.119  1555.10  167.125  1398.85  239.841  294.174   16.074  275.954   24.590 18.21924 29.37777 
1 1 1   -4   21   23 o  160.314   13.298  465.805   70.916  466.098   86.838  465.219  122.874  161.067   15.254  159.562   21.788 1.505493 26.59678 
1 1 1   -4   21   25 o  230.345   15.973  977.075  129.987  1010.04  183.868  944.137  183.792  234.391   22.194  226.300   22.979 8.090836 31.94695 
1 1 1   -4   21   29 o  169.691   13.654  526.559   78.623  546.073  131.717  515.758   97.996  171.164   21.773  168.218   16.482 2.945679 27.30759 
1 1 1   -4   21   31 o   77.831   12.182  116.297   32.210  119.555   41.873  111.576   50.408   79.619   15.437   76.043   18.850 3.575630 24.36407 
1 1 1   -4   21   33 o  164.429   13.752  515.785   74.820  520.623   91.645  506.113  129.562  167.705   15.461  161.153   22.747 6.551392 27.50393 
1 1 1   -4   21   35 o  108.394   16.751  244.674   62.446  221.796   88.447  267.414   88.177  102.504   24.704  114.283   22.631 -11.77880 33.50240 
1 1 1   -4   22    2 o  190.285   10.726  647.570   72.087  619.706  101.837  675.554  102.057  186.135   15.479  194.435   14.851 -8.299133 21.45128 
1 1 1   -4   22    4 o  335.745   11.795  2021.09  139.870  1934.37  197.695  2108.00  197.919  328.432   17.031  343.058   16.323 -14.62619 23.58981 
1 1 1   -4   22    6 o  231.171   15.669  970.094  127.600  1060.31  180.568  880.110  180.340  242.195   21.094  220.148   23.177 22.04680 31.33890 
1 1 1   -4   22    8 f  166.840   10.338  497.391   60.962  493.189   85.992  501.637   86.436  166.128   14.645  167.552   14.596 -1.423111 20.67644 
1 1 1   -4   22   10 o  125.114   9.9921  280.823   43.776  235.520   61.509  327.319   62.314  114.743   15.167  135.486   13.013 -20.74233 19.98420 
1 1 1   -4   22   12 o  317.069   14.724  1773.93  157.315  1966.90  272.002  1676.94  192.840  328.739   23.410  305.399   17.865 23.34070 29.44814 
1 1 1   -4   22   14 o  296.460   15.891  1601.25  165.742  1422.95  233.534  1782.21  235.266  279.348   23.653  313.572   21.228 -34.22409 31.78160 
1 1 1   -4   22   16 o  517.725   15.998  4749.13  278.860  4455.91  341.132  5339.74  484.137  496.387   19.444  539.063   25.410 -42.67584 31.99598 
1 1 1   -4   22   18 o  289.266   11.277  1504.07  115.165  1416.16  162.321  1593.18  163.421  280.625   16.365  297.907   15.521 -17.28195 22.55474 
1 1 1   -4   22   20 f  380.236   12.392  2610.70  166.533  2597.92  235.119  2623.56  235.910  379.296   17.538  381.176   17.511 -1.880066 24.78338 
1 1 1   -4   22   22 o  208.797   10.494  784.906   77.049  687.823  107.872  886.018  110.089  195.405   15.619  222.188   14.018 -26.78314 20.98743 
1 1 1   -4   22   24 f  214.068   11.510  832.253   86.745  892.567  120.840  768.131  124.598  222.369   15.375  205.767   17.132 16.60274 23.01967 
1 1 1   -4   22   26 o  140.166   10.939  355.392   54.133  333.198   74.933  379.619   78.289  135.559   15.639  144.773   15.300 -9.214157 21.87891 
1 1 1   -4   22   28 f  242.917   16.347  1115.74  140.348  1105.33  198.463  1126.16  198.500  241.706   23.231  244.129   23.005 -2.423401 32.69427 
1 1 1   -4   22   30 o   45.670   11.370   33.091   23.459   18.561   33.235   47.517   33.116   40.331   15.878   51.009   16.280 -10.67796 22.74073 
1 1 1   -4   22   32 o  204.689   16.497  830.597  119.093  774.674  168.470  886.457  168.376  196.956   24.201  212.421   22.427 -15.46486 32.99456 
1 1 1   -4   23    1 o  206.066   10.624  759.689   77.375  750.988  109.216  768.456  109.634  204.872   15.083  207.260   14.966 -2.388611 21.24804 
1 1 1   -4   23    3 o  105.214   10.442  197.966   38.830  195.147   54.748  200.820   55.081  104.455   14.829  105.973   14.706 -1.517746 20.88442 
1 1 1   -4   23    5 o  199.310   22.018  720.870  155.104   0.0000   0.0000  720.870  155.104  ?   ?   199.310   22.018      ?      ? 
1 1 1   -4   23    7 o  228.656   17.239  965.479  136.827  1164.16  193.068  765.000  193.941  253.368   21.559  203.944   26.905 49.42325 34.47762 
1 1 1   -4   23    9 o  216.999   16.511  861.899  125.955  957.377  177.564  765.201  178.695  229.549   21.886  204.449   24.729 25.10008 33.02279 
1 1 1   -4   23   11 o  128.099   16.168  339.595   63.687  397.185   77.637  221.103  111.362  148.924   14.750  107.275   28.776 41.64907 32.33586 
1 1 1   -4   23   13 o  138.760   10.400  344.970   50.976  329.212   71.658  361.113   72.533  135.520   14.960  142.001   14.452 -6.481323 20.80073 
1 1 1   -4   23   15 o   45.317   9.3750   36.997   15.909   33.385   21.312   41.544   23.910   43.034   12.952   47.600   13.557 -4.566380 18.74994 
1 1 1   -4   23   17 o  134.619   10.033  327.341   46.781  249.510   65.182  410.018   67.180  117.781   15.658  151.458   12.550 -33.67714 20.06637 
1 1 1   -4   23   19 o  327.604   12.129  1942.34  140.328  2024.37  198.105  1859.72  198.805  334.727   16.745  320.480   17.551 14.24722 24.25772 
1 1 1   -4   23   21 o   96.525   10.389  169.257   34.139  134.513   46.544  209.717   50.227   84.947   16.091  108.103   13.146 -23.15553 20.77816 
1 1 1   -4   23   23 o   72.236   12.424  100.580   31.384  112.529   41.274   84.204   48.321   77.527   15.603   66.946   19.338 10.58141 24.84738 
1 1 1   -4   23   25 o  169.942   10.585  522.612   63.309  459.637   87.083  593.204   92.200  158.956   15.500  180.929   14.418 -21.97292 21.16920 
1 1 1   -4   23   27 o  125.396   10.324  286.033   45.338  236.969   62.264  341.409   66.149  113.735   15.489  137.057   13.655 -23.32200 20.64884 
1 1 1   -4   23   29 f  135.697   11.789  347.932   55.602  399.994   76.670  290.173   80.755  147.333   14.723  124.061   18.417 23.27171 23.57867 
1 1 1   -4   23   31 o   83.802   13.618  141.950   38.542  150.963   47.157  123.818   66.889   89.991   14.826   77.613   22.848 12.37776 27.23689 
1 1 1   -4   24    2 f  104.422   22.988  206.411   82.546   0.0000   0.0000  206.411   82.546  ?   ?   104.422   22.988      ?      ? 
1 1 1   -4   24    4 o  102.288   22.989  198.221   81.090   0.0000   0.0000  198.221   81.090  ?   ?   102.288   22.989      ?      ? 
1 1 1   -4   24    6 f  315.950   14.297  1790.37  150.916  1748.80  184.539  1874.31  262.231  311.755   16.748  320.145   23.175 -8.390533 28.59299 
1 1 1   -4   24    8 o   28.057   7.6516   8.4931   10.843   4.2104   14.889   13.329   15.821   25.550   10.428   30.564   11.200 -5.013885 15.30327 
1 1 1   -4   24   10 f  149.091   10.605  398.904   55.860  383.770   78.671  414.293   79.329  146.204   15.224  151.978   14.768 -5.773331 21.21027 
1 1 1   -4   24   12 o  137.586   10.761  340.342   52.288  352.219   73.524  328.189   74.375  140.070   14.851  135.102   15.576 4.967957 21.52110 
1 1 1   -4   24   14 o  199.820   10.541  719.295   74.031  629.082  104.063  811.734  105.339  186.910   15.752  212.731   14.010 -25.82121 21.08120 
1 1 1   -4   24   16 o  237.912   10.956  1021.02   91.952  943.664  129.416  1099.89  130.673  228.646   16.014  247.178   14.957 -18.53281 21.91292 
1 1 1   -4   24   18 o  143.796   10.721  373.144   54.480  374.247   76.385  372.003   77.726  144.043   15.004  143.548   15.320 0.4943848 21.44290 
1 1 1   -4   24   20 o  126.035   14.426  329.297   55.525  215.080   94.293  389.924   68.698  104.851   25.654  147.220   13.203 -42.36863 28.85209 
1 1 1   -4   24   22 o   91.412   12.145  159.729   37.612  184.146   50.353  128.905   56.573  100.877   14.122   81.947   19.762 18.92969 24.28943 
1 1 1   -4   24   24 o  145.074   11.182  386.777   57.080  403.944   78.330  367.340   83.350  148.806   14.893  141.342   16.685 7.464386 22.36475 
1 1 1   -4   24   26 f  109.771   11.242  224.107   43.106  233.089   57.561  212.639   65.044  112.712   14.449  106.829   17.227 5.883339 22.48394 
1 1 1   -4   24   28 o   79.632   17.199  132.948   58.530  188.175   75.443   49.454   92.763   96.079   22.595   63.184   25.937 32.89452 34.39865 
1 1 1   -4   25    1 o   53.110   9.2374   35.576   16.751   15.728   19.232   97.962   34.096   33.424   12.333   72.795   13.756 -39.37088 18.47487 
1 1 1   -4   25    3 o  106.884   13.508  210.212   46.876  208.931   57.337  212.792   81.403  107.837   15.043  105.932   22.440 1.904579 27.01561 
1 1 1   -4   25    5 o  128.406   15.689  306.510   69.625  289.633   98.481  323.377   98.448  123.699   23.382  133.113   20.925 -9.414154 31.37790 
1 1 1   -4   25    7 o   34.352   9.3679   13.675   16.167   17.549   22.862   9.7995   22.866   35.907   13.407   32.796   13.087 3.110840 18.73578 
1 1 1   -4   25    9 o  188.432   13.131  654.613   81.926  615.085  140.808  674.841  100.731  183.122   21.755  193.742   14.710 -10.61978 26.26191 
1 1 1   -4   25   11 o  106.505   10.929  204.694   41.087  209.132   57.098  199.928   59.168  107.766   14.991  105.244   15.906 2.521500 21.85701 
1 1 1   -4   25   13 o  188.503   10.911  641.875   72.635  666.606  102.293  616.725  103.157  192.264   15.053  184.743   15.798 7.520828 21.82160 
1 1 1   -4   25   15 f  377.830   12.557  2601.99  167.566  2710.82  236.725  2492.69  237.225  386.009   17.351  369.651   18.157 16.35852 25.11460 
1 1 1   -4   25   17 o  153.567   10.837  427.281   58.808  420.642   82.285  434.212   84.079  152.359   15.280  154.774   15.370 -2.415466 21.67302 
1 1 1   -4   25   19 o   56.241   11.576   59.338   25.032   74.148   33.965   41.731   37.034   62.646   15.439   49.837   17.253 12.80901 23.15262 
1 1 1   -4   25   21 o  170.695   10.187  531.503   60.698  429.960   84.237  641.162   87.539  153.288   15.548  188.101   13.167 -34.81235 20.37425 
1 1 1   -4   25   23 o  193.029   10.801  684.740   73.450  613.046  101.723  762.839  106.170  182.223   15.794  203.835   14.737 -21.61227 21.60149 
1 1 1   -4   25   25 o   27.349   7.5241   8.3324   10.060   6.8786   12.479   11.031   17.001   24.936   9.7554   29.761   11.458 -4.825968 15.04818 
1 1 1   -4   25   27 o  121.687   10.738  275.876   46.008  246.253   62.487  310.948   67.992  114.479   15.443  128.895   14.924 -14.41568 21.47650 
1 1 1   -4   26    2 o  186.387   10.856  627.097   71.503  638.266  100.835  615.801  101.410  188.104   15.167  184.671   15.537 3.432541 21.71228 
1 1 1   -4   26    4 o  155.894   12.975  435.429   67.839  420.235   83.085  465.819  117.501  152.564   15.408  159.223   20.879 -6.658081 25.94906 
1 1 1   -4   26    6 o  157.309   11.479  450.953   63.203  519.340   89.132  381.790   89.635  169.689   14.861  144.928   17.499 24.76064 22.95781 
1 1 1   -4   26    8 o  178.144   13.424  584.683   79.237  593.454   97.096  567.196  137.097  181.248   15.157  175.040   22.160 6.207870 26.84771 
1 1 1   -4   26   10 o  106.205   15.907  216.758   57.874  235.099   82.071  198.617   81.624  111.016   21.694  101.393   23.270 9.622635 31.81367 
1 1 1   -4   26   12 f   46.855   11.466   34.474   23.994   17.406   33.980   51.447   33.886   40.577   16.029   53.133   16.401 -12.55573 22.93274 
1 1 1   -4   26   14 o  318.425   14.619  1924.00  152.902  1762.10  263.815  2005.89  187.630  305.001   24.472  331.849   15.997 -26.84833 29.23713 
1 1 1   -4   26   16 o  210.231   10.879  806.096   80.725  753.524  113.351  860.202  114.992  203.101   15.790  217.361   14.968 -14.26048 21.75733 
1 1 1   -4   26   18 o   38.129   9.2719   23.370   15.112   17.804   20.048   30.694   22.997   34.558   12.616   41.701   13.591 -7.143467 18.54376 
1 1 1   -4   26   20 o   33.383   8.7071   15.857   13.180   14.132   16.578   18.821   21.729   31.127   11.456   35.638   13.115 -4.510967 17.41413 
1 1 1   -4   26   22 o   46.096   9.9779   38.052   17.592   31.121   22.701   48.473   27.836   41.611   13.500   50.580   14.696 -8.968864 19.95584 
1 1 1   -4   26   24 o  143.946   10.899  387.293   55.337  359.359   75.613  419.510   81.203  138.352   15.463  149.540   15.364 -11.18747 21.79772 
1 1 1   -4   27    1 o  191.045   13.502  663.259   86.465  700.710  149.366  644.384  106.038  193.877   21.797  188.212   15.940 5.664749 27.00399 
1 1 1   -4   27    3 o  189.645   15.769  672.266  105.695  673.881  149.640  670.658  149.312  189.873   22.298  189.416   22.303 0.4568481 31.53739 
1 1 1   -4   27    5 o   49.647   10.220   45.108   19.110   37.820   26.253   53.321   27.871   45.916   14.479   53.377   14.429 -7.460281 20.44050 
1 1 1   -4   27    7 o   55.078   10.314   57.381   20.581   66.477   28.198   47.010   30.109   59.503   13.692   50.654   15.429 8.849323 20.62801 
1 1 1   -4   27    9 o  239.159   11.369  1045.94   95.952  1108.01  135.476  983.453  135.919  246.540   15.547  231.778   16.592 14.76202 22.73769 
1 1 1   -4   27   11 o   77.948   11.709  116.386   31.251  131.014   43.115  100.194   45.361   83.584   15.152   72.312   17.855 11.27216 23.41759 
1 1 1   -4   27   13 o  224.939   11.111  928.715   88.317  943.383  124.508  913.860  125.294  226.823   15.531  223.055   15.893 3.767899 22.22120 
1 1 1   -4   27   15 o  238.749   14.435  1100.93  113.030  1141.37  138.494  1020.25  195.599  248.749   15.753  228.750   24.193 19.99873 28.86926 
1 1 1   -4   27   17 o   80.043   15.390  128.301   44.689  128.561   63.277  128.044   63.122   80.120   21.776   79.967   21.755 0.1525726 30.78077 
1 1 1   -4   27   19 o   36.304   9.8035   17.542   17.585   13.440   24.935   21.601   24.803   34.736   13.728   37.872   13.999 -3.136490 19.60705 
1 1 1   -4   27   21 o  117.240   23.684  285.667   94.762   0.0000   0.0000  285.667   94.762  ?   ?   117.240   23.684      ?      ? 
1 1 1   -4   28    2 o  123.896   15.763  297.454   67.208  334.800   95.377  260.621   94.720  133.341   20.238  114.452   24.173 18.88908 31.52620 
1 1 1   -4   28    4 f   87.891   11.088  143.879   33.680  132.199   46.876  156.343   48.423   83.361   16.494   92.421   14.824 -9.059135 22.17657 
1 1 1   -4   28    6 o  113.412   13.482  238.428   50.121  225.472   61.432  264.225   86.683  110.676   15.704  116.148   21.919 -5.472496 26.96436 
1 1 1   -4   28    8 o  117.370   10.413  253.512   42.866  216.725   60.120  291.554   61.137  108.389   15.693  126.352   13.690 -17.96308 20.82542 
1 1 1   -4   28   10 o  100.153   10.908  185.540   38.558  190.585   53.658  180.155   55.443  101.701   14.928   98.605   15.909 3.095535 21.81548 
1 1 1   -4   28   12 o   77.536   10.426  113.272   27.632   72.558   37.735  160.344   40.574   61.272   16.884   93.800   12.238 -32.52878 20.85276 
1 1 1   -4   28   14 o  274.767   11.431  1414.56  110.921  1346.43  156.262  1483.75  157.477  267.761   16.511  281.773   15.812 -14.01178 22.86178 
1 1 1   -4   28   16 o  101.861   13.663  211.122   45.124  180.189   76.423  227.678   55.911   93.067   23.289  110.655   14.296 -17.58842 27.32685 
1 1 1   -4   29    1 o   41.452   11.178   21.817   23.859   37.873   31.737   0.9503   36.180   46.511   15.979   36.393   15.634 10.11763 22.35532 
1 1 1   -4   29    3 o   15.654   4.4999   0.2429   4.3796  -8.0992   7.2388   5.0597   5.5006   12.919   6.0925   18.389   6.6241 -5.470427 8.999846 
1 1 1   -4   29    5 o   72.131   11.013  100.331   27.296   86.797   38.078  114.637   39.151   66.805   16.276   77.457   14.841 -10.65211 22.02668 
1 1 1   -4   29    7 o   37.218   8.3958   19.809   14.088   0.4056   19.041   43.274   20.940   26.702   11.403   47.733   12.326 -21.03026 16.79163 
1 1 1   -4   29    9 o  106.749   11.458  218.543   41.727  250.124   58.549  185.949   59.482  116.013   14.279   97.484   17.924 18.52945 22.91642 
1 1 1   -4   29   11 o   60.636   13.005   72.871   29.969   64.051   49.656   77.924   37.585   58.317   19.990   62.955   16.640 -4.638725 26.00909 
1 1 1   -3    0    1 o  456.957   13.118  3710.78  298.514  3710.78  298.514  3710.78  298.514  456.957   18.552  456.957   18.552 -0.000000 0.000000 
1 1 1   -3    0    3 o  914.576   19.187 14842.19  875.368 14842.19  875.368 14842.19  875.368  914.576   27.134  914.576   27.134 -0.000000 0.000000 
1 1 1   -3    0    5 o  804.479   17.575 11484.92  705.186 11484.92  705.186 11484.92  705.186  804.479   24.855  804.479   24.855 -0.000000 0.000000 
1 1 1   -3    0    7 o  1574.03   29.696 44069.96  2332.62 44069.96  2332.62 44069.96  2332.62  1574.03   41.996  1574.03   41.996 -0.000000 0.000000 
1 1 1   -3    0    9 o  425.804   18.256  3246.61  385.272  3246.61  385.272  3246.61  385.272  425.804   25.817  425.804   25.817 -0.000000 0.000000 
1 1 1   -3    0   11 o  824.916   25.501 12175.07  1046.92 12175.07  1046.92 12175.07  1046.92  824.916   36.064  824.916   36.064 -0.000000 0.000000 
1 1 1   -3    0   13 o  902.283   27.150 14582.44  1219.42 14582.44  1219.42 14582.44  1219.42  902.283   38.396  902.283   38.396 -0.000000 0.000000 
1 1 1   -3    0   15 o  178.235   16.311  590.131  138.603  590.131  138.603  590.131  138.603  178.235   23.067  178.235   23.067 -0.000000 0.000000 
1 1 1   -3    0   21 o  491.500   19.241  4317.40  469.392  4317.40  469.392  4317.40  469.392  491.500   27.211  491.500   27.211 -0.000000 0.000000 
1 1 1   -3    0   23 o  441.463   18.482  3488.23  404.556  3488.23  404.556  3488.23  404.556  441.463   26.137  441.463   26.137 -0.000000 0.000000 
1 1 1   -3    0   25 o  665.386   22.304  7909.85  738.019  7909.85  738.019  7909.85  738.019  665.386   31.543  665.386   31.543 -0.000000 0.000000 
1 1 1   -3    0   27 o  318.954   16.932  1833.88  266.452  1833.88  266.452  1833.88  266.452  318.954   23.946  318.954   23.946 -0.000000 0.000000 
1 1 1   -3    0   29 o  529.056   19.921  5023.10  523.392  5023.10  523.392  5023.10  523.392  529.056   28.173  529.056   28.173 -0.000000 0.000000 
1 1 1   -3    0   31 o  772.094   17.616 10658.46  678.234 10658.46  678.234 10658.46  678.234  772.094   24.912  772.094   24.912 -0.000000 0.000000 
1 1 1   -3    0   33 o   69.175   14.642  104.922   44.099  104.922   44.099  104.922   44.099   69.175   20.707   69.175   20.707 -0.000000 0.000000 
1 1 1   -3    0   35 o  410.523   11.574  3009.99  236.633  3009.99  236.633  3009.99  236.633  410.523   16.368  410.523   16.368 -0.000000 0.000000 
1 1 1   -3    0   37 o  182.137   11.255  603.192  100.663  603.192  100.663  603.192  100.663  182.137   15.917  182.137   15.917 -0.000000 0.000000 
1 1 1   -3    0   39 o  181.829   11.368  601.935  101.461  601.935  101.461  601.935  101.461  181.829   16.077  181.829   16.077 -0.000000 0.000000 
1 1 1   -3    0   41 o   21.464   9.1399   8.0566   17.800   8.0566   17.800   8.0566   17.800   21.464   12.926   21.464   12.926 -0.000000 0.000000 
1 1 1   -3    0   43 o  299.549   11.479  1616.96  170.719  1616.96  170.719  1616.96  170.719  299.549   16.234  299.549   16.234 -0.000000 0.000000 
1 1 1   -3    1    2 o  1354.68   25.873 32601.87  1238.80 32809.60  1751.93 32394.13  1751.92  1359.02   36.473  1350.34   36.707 8.677246 51.74648 
1 1 1   -3    1    4 o  805.739   17.454 11502.05  497.051 11548.10  702.940 11456.00  702.932  807.356   24.634  804.122   24.733 3.233948 34.90752 
1 1 1   -3    1    6 o  1271.80   35.157 28915.76  1580.10 29468.25  2234.61 28363.28  2234.58  1284.09   49.236  1259.51   50.197 24.58154 70.31317 
1 1 1   -3    1    8 o  2374.09   63.825 104453.60  5347.73 98217.16  7562.84 110690.10  7562.84  2299.76   93.042  2448.41   87.394 -148.6450 127.6502 
1 1 1   -3    1   10 o  989.351   28.978 17557.58  1013.19 17280.55  1432.88 17834.60  1432.86  981.429   41.308  997.274   40.651 -15.84479 57.95521 
1 1 1   -3    1   12 o  525.942   19.607  4932.27  364.416  5029.46  515.384  4835.09  515.341  531.170   27.452  520.714   28.001 10.45563 39.21333 
1 1 1   -3    1   16 o  577.493   28.980  5927.36  591.518  5927.36  591.518   0.0000   0.0000  577.493   28.980  ?   ?       ?      ? 
1 1 1   -3    1   18 o  517.872   27.504  4760.20  503.430  4760.20  503.430   0.0000   0.0000  517.872   27.504  ?   ?       ?      ? 
1 1 1   -3    1   20 f  635.178   21.180  7182.52  473.821  7875.40  670.138  6489.86  670.030  666.036   28.467  604.320   31.369 61.71606 42.36071 
1 1 1   -3    1   22 f  527.400   19.614  4939.66  365.609  4939.78  517.038  4939.54  517.060  527.406   27.737  527.393   27.739 0.1287842E-01 39.22711 
1 1 1   -3    1   24 o  298.134   14.382  1597.59  141.831  1639.96  173.729  1512.90  245.594  304.321   16.152  291.948   23.801 12.37289 28.76386 
1 1 1   -3    1   26 o  677.273   19.488  8256.75  437.100  8432.53  535.355  7905.26  757.025  689.124   21.980  665.421   32.188 23.70319 38.97662 
1 1 1   -3    1   28 o  447.232   15.904  3587.79  235.986  3641.99  289.046  3479.45  408.676  452.909   18.057  441.555   26.186 11.35413 31.80821 
1 1 1   -3    1   30 o  192.488   12.845  679.086   81.039  715.806   99.290  605.811  140.260  200.806   13.990  184.169   21.547 16.63693 25.69045 
1 1 1   -3    1   32 o  316.536   16.643  1802.70  186.190  1780.91  263.294  1824.48  263.331  314.589   23.680  318.483   23.394 -3.893951 33.28652 
1 1 1   -3    1   34 o  432.797   15.545  3512.11  218.622  3768.39  267.838  3000.51  378.431  459.241   16.501  406.353   26.349 52.88776 31.08939 
1 1 1   -3    1   36 o  104.920   12.760  202.767   43.427  206.600   53.463  195.333   74.458  107.618   14.055  102.221   21.300 5.396820 25.51918 
1 1 1   -3    1   38 o  115.083   13.613  245.050   50.625  250.193   62.217  234.973   87.087  118.293   14.881  111.873   22.798 6.419846 27.22506 
1 1 1   -3    1   40 o   47.003   11.380   35.471   22.018   32.502   27.398   40.885   36.997   44.049   14.850   49.957   17.247 -5.907967 22.75929 
1 1 1   -3    1   42 o  444.201   18.671  3667.84  293.044  3777.11  414.884  3559.05  413.972  451.120   26.020  437.281   26.785 13.83908 37.34288 
1 1 1   -3    1   44 o  156.008   14.822  439.209   81.727  439.209   81.727   0.0000   0.0000  156.008   14.822  ?   ?       ?      ? 
1 1 1   -3    2    1 o  420.931   17.901  3139.48  266.326  3156.17  376.651  3122.79  376.633  422.053   25.249  419.809   25.383 2.243896 35.80277 
1 1 1   -3    2    3 o  186.076   15.219  613.091  100.089  611.112  141.551  615.070  141.544  185.775   21.558  186.377   21.487 -0.6019897 30.43749 
1 1 1   -3    2    5 o  210.690   15.418  786.187  114.816  784.869  162.375  787.505  162.373  210.514   21.823  210.867   21.786 -0.3539124 30.83660 
1 1 1   -3    2    7 o  649.833   21.777  7503.77  499.965  7748.99  707.072  7258.57  707.042  660.510   30.288  639.157   31.298 21.35229 43.55347 
1 1 1   -3    2    9 o  1147.33   32.432 23655.46  1314.77 24328.26  1859.40 22982.69  1859.34  1163.92   45.199  1130.74   46.524 33.18115 64.86478 
1 1 1   -3    2   11 o  511.921   19.450  4671.14  351.814  4545.38  497.557  4796.88  497.523  504.971   27.878  518.871   27.129 -13.90015 38.89915 
1 1 1   -3    2   13 o  745.393   33.614  9936.41  885.585  9936.41  885.585   0.0000   0.0000  745.393   33.614  ?   ?       ?      ? 
1 1 1   -3    2   15 o  1079.88   26.228 20648.26  947.203 21371.12  1640.67 20286.87  1160.06  1092.18   42.502  1067.58   30.744 24.59839 52.45549 
1 1 1   -3    2   17 o  1094.77   30.983 21429.05  1198.25 22196.37  1694.64 20661.83  1694.54  1114.60   43.017  1074.94   44.601 39.65784 61.96531 
1 1 1   -3    2   19 o  578.169   20.422  5935.71  417.255  6064.56  590.128  5806.89  590.047  584.474   28.567  571.864   29.193 12.60925 40.84449 
1 1 1   -3    2   21 o  908.124   26.558 14728.35  849.582 16103.40  1201.56 13353.63  1201.42  950.959   35.749  865.289   39.284 85.66956 53.11502 
1 1 1   -3    2   23 o  501.845   18.933  4478.75  335.176  4797.99  474.080  4159.70  473.941  519.837   25.803  483.853   27.713 35.98447 37.86570 
1 1 1   -3    2   25 o  961.416   25.349 16881.16  801.864 17570.21  982.092 15503.19  1388.83  993.631   27.964  929.201   42.288 64.43073 50.69827 
1 1 1   -3    2   27 o  934.583   24.250 16001.77  745.333 16667.97  912.862 14669.52  1290.90  966.997   26.709  902.169   40.484 64.82794 48.50092 
1 1 1   -3    2   29 o  523.693   17.052  4966.43  295.217  5097.17  361.583  4705.04  511.280  535.223   19.114  512.163   28.244 23.05963 34.10404 
1 1 1   -3    2   31 o  455.758   18.142  3748.78  291.144  4117.73  411.876  3380.33  411.603  478.644   24.346  432.872   26.903 45.77155 36.28372 
1 1 1   -3    2   33 o  233.783   16.290  975.353  134.601  975.353  134.601   0.0000   0.0000  233.783   16.290  ?   ?       ?      ? 
1 1 1   -3    2   35 o  472.880   17.144  4003.80  286.539  4003.80  286.539   0.0000   0.0000  472.880   17.144  ?   ?       ?      ? 
1 1 1   -3    2   37 o  259.207   14.852  1200.67  136.066  1200.67  136.066   0.0000   0.0000  259.207   14.852  ?   ?       ?      ? 
1 1 1   -3    2   39 o  223.156   14.949  891.137  117.904  891.137  117.904   0.0000   0.0000  223.156   14.949  ?   ?       ?      ? 
1 1 1   -3    2   41 o  171.113   21.746  534.057  131.516  534.057  131.516   0.0000   0.0000  171.113   21.746  ?   ?       ?      ? 
1 1 1   -3    2   43 o  244.717   16.095  1105.15  139.191  1126.22  196.952  1084.12  196.740  247.145   22.547  242.289   22.974 4.856079 32.18955 
1 1 1   -3    2   45 o  241.062   22.961  1088.83  195.635   0.0000   0.0000  1088.83  195.635  ?   ?   241.062   22.961      ?      ? 
1 1 1   -3    3    2 o  1009.23   29.285 18150.25  1043.62 17248.77  1475.91 19051.71  1475.89  983.960   42.439  1034.50   40.365 -50.54413 58.56924 
1 1 1   -3    3    4 o  578.129   20.191  5980.30  407.280  7076.27  576.042  4884.80  575.919  631.753   25.798  524.505   31.066 107.2480 40.38142 
1 1 1   -3    3    6 o  794.193   24.570 11229.89  689.071 11771.80  974.523 10688.04  974.465  813.497   33.893  774.888   35.580 38.60846 49.13967 
1 1 1   -3    3    8 o  550.306   28.321  5384.97  550.845  5384.97  550.845   0.0000   0.0000  550.306   28.321  ?   ?       ?      ? 
1 1 1   -3    3   10 o  1456.34   34.722 38481.12  1681.81 38351.54  2913.02 38545.90  2059.78  1448.19   56.911  1464.48   39.794 -16.29199 69.44373 
1 1 1   -3    3   12 o  576.865   17.773  5915.55  341.702  5941.72  591.883  5902.46  418.485  577.153   29.015  576.577   20.535 0.5757446 35.54688 
1 1 1   -3    3   14 o  348.033   16.879  2145.67  207.623   0.0000   0.0000  2145.67  207.623  ?   ?   348.033   16.879      ?      ? 
1 1 1   -3    3   16 o  448.866   25.937  3575.61  411.490   0.0000   0.0000  3575.61  411.490  ?   ?   448.866   25.937      ?      ? 
1 1 1   -3    3   18 o  481.603   26.658  4115.25  453.768   0.0000   0.0000  4115.25  453.768  ?   ?   481.603   26.658      ?      ? 
1 1 1   -3    3   20 o  529.452   27.779  4975.88  519.831   0.0000   0.0000  4975.88  519.831  ?   ?   529.452   27.779      ?      ? 
1 1 1   -3    3   22 o  693.121   22.240  8563.00  543.188  9328.78  768.267  7797.57  768.099  724.372   30.008  661.869   32.834 62.50269 44.48066 
1 1 1   -3    3   24 o  489.821   26.881  4264.72  465.371   0.0000   0.0000  4264.72  465.371  ?   ?   489.821   26.881      ?      ? 
1 1 1   -3    3   26 o  758.409   33.992 10287.97  911.165 10287.97  911.165   0.0000   0.0000  758.409   33.992  ?   ?       ?      ? 
1 1 1   -3    3   28 o  688.472   23.284  8447.85  566.579  8447.85  566.579   0.0000   0.0000  688.472   23.284  ?   ?       ?      ? 
1 1 1   -3    3   30 o  417.989   16.815  3109.26  248.414  3109.26  248.414   0.0000   0.0000  417.989   16.815  ?   ?       ?      ? 
1 1 1   -3    3   32 o  443.144   18.448  3510.50  288.949  3510.50  288.949   0.0000   0.0000  443.144   18.448  ?   ?       ?      ? 
1 1 1   -3    3   34 o  314.848   14.082  1826.17  145.533  1913.12  178.301  1652.63  251.900  327.396   15.408  302.300   23.576 25.09631 28.16468 
1 1 1   -3    3   36 o  209.830   15.271  797.148  112.902  726.080  159.604  868.330  159.732  200.242   22.551  219.419   20.597 -19.17690 30.54139 
1 1 1   -3    3   38 o  278.704   17.112  1420.40  167.714  1263.00  237.499  1576.96  236.868  262.756   25.573  294.651   22.745 -31.89548 34.22448 
1 1 1   -3    3   40 o  142.705   16.554  384.658   79.266  280.413  112.134  488.769  112.063  121.032   26.910  164.379   19.288 -43.34743 33.10860 
1 1 1   -3    3   42 o  196.671   22.084  708.998  153.514   0.0000   0.0000  708.998  153.514  ?   ?   196.671   22.084      ?      ? 
1 1 1   -3    3   44 o  153.550   21.761  436.357  118.102   0.0000   0.0000  436.357  118.102  ?   ?   153.550   21.761      ?      ? 
1 1 1   -3    3   46 o  241.390   23.160  1108.33  197.596   0.0000   0.0000  1108.33  197.596  ?   ?   241.390   23.160      ?      ? 
1 1 1   -3    4    1 o  496.672   27.010  4376.29  474.149  4376.29  474.149   0.0000   0.0000  496.672   27.010  ?   ?       ?      ? 
1 1 1   -3    4    3 o  559.899   20.216  5571.40  399.362  5192.68  564.781  5950.12  564.785  540.761   29.550  579.036   27.597 -38.27496 40.43224 
1 1 1   -3    4    5 o  142.258   12.644  360.768   59.711  351.353  103.468  365.470   73.114  140.805   20.791  143.711   14.394 -2.905457 25.28725 
1 1 1   -3    4    7 o  664.674   19.957  8011.63  437.192  7425.13  757.302  8304.81  535.426  645.230   33.207  684.119   22.144 -38.88885 39.91326 
1 1 1   -3    4    9 o  717.100   18.502  8772.12  449.397 10489.30  778.506  7913.95  550.352  766.984   28.718  667.217   23.337 99.76642 37.00493 
1 1 1   -3    4   11 o  264.675   15.702  1241.41  146.891   0.0000   0.0000  1241.41  146.891  ?   ?   264.675   15.702      ?      ? 
1 1 1   -3    4   13 o  228.062   13.001  901.739   99.754  986.761  172.860  859.287  122.145  235.854   20.736  220.270   15.689 15.58403 26.00272 
1 1 1   -3    4   15 o  854.875   25.933 12971.36  783.570   0.0000   0.0000 12971.36  783.570  ?   ?   854.875   25.933      ?      ? 
1 1 1   -3    4   17 o  646.349   21.694  7402.65  495.601   0.0000   0.0000  7402.65  495.601  ?   ?   646.349   21.694      ?      ? 
1 1 1   -3    4   19 o  743.007   33.394  9817.74  876.966   0.0000   0.0000  9817.74  876.966  ?   ?   743.007   33.394      ?      ? 
1 1 1   -3    4   21 o  313.536   23.323  1743.28  258.461  1743.28  258.461   0.0000   0.0000  313.536   23.323  ?   ?       ?      ? 
1 1 1   -3    4   23 o  939.300   39.306 15777.54  1304.93 15777.54  1304.93   0.0000   0.0000  939.300   39.306  ?   ?       ?      ? 
1 1 1   -3    4   25 o  548.703   28.324  5362.26  549.296  5362.26  549.296   0.0000   0.0000  548.703   28.324  ?   ?       ?      ? 
1 1 1   -3    4   27 f  777.213   34.646 10849.69  951.726 10849.69  951.726   0.0000   0.0000  777.213   34.646  ?   ?       ?      ? 
1 1 1   -3    4   29 o  752.009   21.918 10407.42  542.315 10808.51  664.201  9605.27  939.310  777.174   24.180  726.844   36.563 50.33014 43.83572 
1 1 1   -3    4   31 o  407.326   15.687  2974.87  212.833  2970.56  260.672  2983.49  368.620  407.917   18.080  406.735   25.642 1.182617 31.37494 
1 1 1   -3    4   33 o  485.421   18.893  4281.84  323.955  4118.70  458.045  4445.11  458.238  475.911   27.231  494.930   26.196 -19.01886 37.78528 
1 1 1   -3    4   35 o  260.532   15.760  1228.06  144.935  1156.86  204.892  1299.37  205.045  252.796   22.932  268.268   21.625 -15.47159 31.51994 
1 1 1   -3    4   39 f  411.951   25.757  3117.32  375.022   0.0000   0.0000  3117.32  375.022  ?   ?   411.951   25.757      ?      ? 
1 1 1   -3    4   41 o  237.096   22.579  1029.13  189.211   0.0000   0.0000  1029.13  189.211  ?   ?   237.096   22.579      ?      ? 
1 1 1   -3    4   43 f   85.899   21.697  140.977   65.891   0.0000   0.0000  140.977   65.891  ?   ?    85.899   21.697      ?      ? 
1 1 1   -3    4   45 o  153.661   21.898  441.654  118.929   0.0000   0.0000  441.654  118.929  ?   ?   153.661   21.898      ?      ? 
1 1 1   -3    5    2 o  270.252   14.168  1290.41  127.750  1306.48  221.340  1282.39  156.437  271.383   23.076  269.120   16.446 2.263367 28.33687 
1 1 1   -3    5    4 o  448.991   17.379  3744.32  253.075  3141.70  438.366  4045.57  309.942  420.168   29.518  477.814   18.353 -57.64539 34.75867 
1 1 1   -3    5    6 o  618.916   17.756  6743.23  367.830  7022.49  637.206  6603.67  450.461  627.846   28.715  609.987   20.894 17.85889 35.51185 
1 1 1   -3    5    8 f  333.625   11.393  1973.97  134.226  1878.43  189.828  2069.51  189.819  325.522   16.499  341.727   15.716 -16.20499 22.78622 
1 1 1   -3    5   10 o  847.459   18.293 12786.98  547.835 12505.24  774.768 13068.70  774.743  838.053   26.157  856.865   25.581 -18.81165 36.58653 
1 1 1   -3    5   12 o  636.772   14.898  7216.50  333.636  8039.63  471.878  6393.69  471.787  673.338   19.828  600.206   22.240 73.13202 29.79501 
1 1 1   -3    5   14 o   89.386   10.829  132.135   32.196  190.220   56.020  103.486   39.343  103.669   15.289   75.103   15.340 28.56596 21.65772 
1 1 1   -3    5   16 o  598.852   29.512  6369.48  624.643  6369.48  624.643   0.0000   0.0000  598.852   29.512  ?   ?       ?      ? 
1 1 1   -3    5   18 o  649.379   21.429  7526.06  488.284  8563.98  690.623  6488.65  690.453  694.589   28.132  604.169   32.334 90.41974 42.85846 
1 1 1   -3    5   20 o  444.934   17.987  3522.47  281.619  3902.61  398.363  3142.69  398.176  469.095   24.027  420.773   26.774 48.32175 35.97385 
1 1 1   -3    5   22 o  678.924   22.311  8175.36  535.370   0.0000   0.0000  8175.36  535.370  ?   ?   678.924   22.311      ?      ? 
1 1 1   -3    5   24 o  400.264   17.382  2849.39  245.587  3016.00  347.459  2683.06  347.166  412.030   23.859  388.498   25.283 23.53198 34.76324 
1 1 1   -3    5   26 f  904.375   27.069 14717.82  864.979 15125.46  1223.33 14310.28  1223.20  917.125   37.739  891.624   38.815 25.50092 54.13716 
1 1 1   -3    5   28 o  846.523   25.838 13003.39  770.993 14075.62  1090.42 11931.42  1090.28  882.354   34.965  810.692   38.051 71.66229 51.67577 
1 1 1   -3    5   30 o  198.565   21.801  706.222  153.006   0.0000   0.0000  706.222  153.006  ?   ?   198.565   21.801      ?      ? 
1 1 1   -3    5   32 o  438.427   26.065  3481.31  403.906  3481.31  403.906   0.0000   0.0000  438.427   26.065  ?   ?       ?      ? 
1 1 1   -3    5   36 o  332.812   24.021  2014.17  282.561   0.0000   0.0000  2014.17  282.561  ?   ?   332.812   24.021      ?      ? 
1 1 1   -3    5   38 o  140.174   21.365  356.030  105.849   0.0000   0.0000  356.030  105.849  ?   ?   140.174   21.365      ?      ? 
1 1 1   -3    5   40 f  102.059   22.204  196.950   77.816   0.0000   0.0000  196.950   77.816  ?   ?   102.059   22.204      ?      ? 
1 1 1   -3    5   42 f  215.628   22.357  855.357  170.387   0.0000   0.0000  855.357  170.387  ?   ?   215.628   22.357      ?      ? 
1 1 1   -3    5   44 f  110.445   22.663  234.662   85.501   0.0000   0.0000  234.662   85.501  ?   ?   110.445   22.663      ?      ? 
1 1 1   -3    5   46 o  175.809   22.356  589.189  138.915   0.0000   0.0000  589.189  138.915  ?   ?   175.809   22.356      ?      ? 
1 1 1   -3    6    1 o  1061.99   21.497 20116.46  806.919 20128.53  1141.13 20104.39  1141.18  1062.31   30.392  1061.67   30.412 0.6434326 42.99501 
1 1 1   -3    6    3 f  576.514   14.546  5906.66  295.852  6320.85  418.398  5492.46  418.397  596.841   19.834  556.187   21.284 40.65436 29.09271 
1 1 1   -3    6    5 o  563.211   14.307  5632.33  284.724  5489.84  402.636  5774.84  402.684  556.053   20.487  570.369   19.975 -14.31671 28.61320 
1 1 1   -3    6    7 o  1009.46   21.030 18202.36  749.638 17318.50  1060.12 19086.31  1060.17  984.690   30.461  1034.24   29.003 -49.54718 42.05941 
1 1 1   -3    6    9 o  873.136   21.245 13647.04  616.645 13451.00  1068.11 13745.05  755.217  867.025   34.855  879.247   24.302 -12.22223 42.49051 
1 1 1   -3    6   11 f  731.776   23.449  9588.42  602.592  8347.77  852.158 10829.29  852.230  683.804   35.259  779.748   30.923 -95.94379 46.89800 
1 1 1   -3    6   13 o  825.102   35.799 12130.65  1043.98 12130.65  1043.98   0.0000   0.0000  825.102   35.799  ?   ?       ?      ? 
1 1 1   -3    6   15 o  703.769   32.302  8805.49  803.487  8805.49  803.487   0.0000   0.0000  703.769   32.302  ?   ?       ?      ? 
1 1 1   -3    6   17 o  595.162   14.752  6275.23  310.315  6221.03  438.864  6329.42  438.841  592.586   20.954  597.739   20.772 -5.152649 29.50463 
1 1 1   -3    6   19 o  970.266   24.780 16839.45  798.885 16526.99  1383.78 16995.66  978.408  962.234   40.688  978.298   28.296 -16.06433 49.55983 
1 1 1   -3    6   21 o  564.809   17.444  5674.00  327.865  5625.41  567.951  5698.28  401.525  562.580   28.563  567.038   20.035 -4.458191 34.88898 
1 1 1   -3    6   23 o  971.723   24.580 16826.39  796.308 16972.14  1379.28 16753.52  975.264  973.198   40.099  970.247   28.439 2.950439 49.15993 
1 1 1   -3    6   25 o  203.552   21.766  736.186  156.595   0.0000   0.0000  736.186  156.595  ?   ?   203.552   21.766      ?      ? 
1 1 1   -3    6   27 o  236.467   13.105  968.256  104.421  1077.95  180.898  913.440  127.876  246.074   20.799  226.861   15.948 19.21346 26.20979 
1 1 1   -3    6   29 o  195.245   15.492  682.419  106.840  710.262  151.059  654.550  151.129  199.282   21.447  191.207   22.363 8.074524 30.98458 
1 1 1   -3    6   31 o  591.368   29.888  6371.35  624.698   0.0000   0.0000  6371.35  624.698  ?   ?   591.368   29.888      ?      ? 
1 1 1   -3    6   33 o  286.939   23.146  1488.00  234.737   0.0000   0.0000  1488.00  234.737  ?   ?   286.939   23.146      ?      ? 
1 1 1   -3    6   35 f   94.483   21.874  167.656   71.605   0.0000   0.0000  167.656   71.605  ?   ?    94.483   21.874      ?      ? 
1 1 1   -3    6   37 o  171.489   21.659  532.807  131.281   0.0000   0.0000  532.807  131.281  ?   ?   171.489   21.659      ?      ? 
1 1 1   -3    6   39 o  358.435   24.648  2357.40  312.259   0.0000   0.0000  2357.40  312.259  ?   ?   358.435   24.648      ?      ? 
1 1 1   -3    6   41 o  290.080   23.465  1548.75  240.582   0.0000   0.0000  1548.75  240.582  ?   ?   290.080   23.465      ?      ? 
1 1 1   -3    6   43 o  234.466   22.738  1020.51  188.429   0.0000   0.0000  1020.51  188.429  ?   ?   234.466   22.738      ?      ? 
1 1 1   -3    6   45 o  107.308   22.769  224.840   83.685   0.0000   0.0000  224.840   83.685  ?   ?   107.308   22.769      ?      ? 
1 1 1   -3    6   47 o   68.109   20.460   90.958   53.219   0.0000   0.0000   90.958   53.219  ?   ?    68.109   20.460      ?      ? 
1 1 1   -3    7    2 o  632.624   15.285  7112.52  341.638  6888.92  483.116  7336.19  483.182  622.623   21.954  642.625   21.273 -20.00287 30.56974 
1 1 1   -3    7    4 o  175.677   12.005  550.937   70.028  536.133  121.256  558.346   85.779  173.794   19.740  177.561   13.668 -3.767166 24.01026 
1 1 1   -3    7    6 o  419.846   17.860  3136.58  264.962  3051.31  374.617  3221.94  374.808  414.098   25.596  425.595   24.917 -11.49762 35.72086 
1 1 1   -3    7    8 o  334.609   16.551  1992.20  195.193  1820.21  275.944  2164.45  276.147  320.056   24.394  349.161   22.377 -29.10532 33.10221 
1 1 1   -3    7   10 o  388.910   17.601  2679.07  241.937  2679.07  241.937   0.0000   0.0000  388.910   17.601  ?   ?       ?      ? 
1 1 1   -3    7   12 o  981.033   20.045 17100.96  694.531 16352.17  982.180 17849.84  982.249  959.437   28.964  1002.63   27.718 -43.19263 40.08968 
1 1 1   -3    7   14 o  1010.28   29.284 18213.75  1045.64 18064.71  1478.77 18362.77  1478.75  1006.11   41.585  1014.45   41.242 -8.347290 58.56824 
1 1 1   -3    7   16 o  532.279   13.960  5018.57  262.575  5136.29  371.322  4900.83  371.352  538.537   19.508  526.021   19.974 12.51599 27.91989 
1 1 1   -3    7   18 o  855.166   18.262 12976.38  551.951 12851.83  780.561 13100.95  780.591  851.045   25.950  859.287   25.702 -8.241821 36.52370 
1 1 1   -3    7   20 o  647.885   21.730  7442.55  497.605  7442.55  497.605   0.0000   0.0000  647.885   21.730  ?   ?       ?      ? 
1 1 1   -3    7   22 o  108.817   10.456  209.863   40.156  222.697   56.746  196.989   56.834  112.160   14.314  105.475   15.245 6.684692 20.91230 
1 1 1   -3    7   24 o  701.288   15.995  8740.24  396.436  8602.51  560.621  8878.00  560.670  695.731   22.799  706.845   22.442 -11.11426 31.99098 
1 1 1   -3    7   26 o  418.352   12.572  3108.98  185.840  3027.70  262.794  3190.28  262.840  412.854   18.009  423.849   17.545 -10.99524 25.14305 
1 1 1   -3    7   28 o  614.621   18.480  6874.72  375.489  6529.15  650.255  7047.59  459.918  601.013   30.611  628.230   20.713 -27.21631 36.96032 
1 1 1   -3    7   30 o  645.715   21.682  7600.28  494.531  7294.99  699.242  7905.80  699.503  632.337   31.287  659.093   30.028 -26.75635 43.36494 
1 1 1   -3    7   32 o  409.562   25.489  3042.65  368.966   0.0000   0.0000  3042.65  368.966  ?   ?   409.562   25.489      ?      ? 
1 1 1   -3    7   34 o  256.540   22.703  1191.41  205.857   0.0000   0.0000  1191.41  205.857  ?   ?   256.540   22.703      ?      ? 
1 1 1   -3    7   36 o  340.846   24.200  2116.20  291.536   0.0000   0.0000  2116.20  291.536  ?   ?   340.846   24.200      ?      ? 
1 1 1   -3    7   38 o  367.491   24.811  2475.65  322.263   0.0000   0.0000  2475.65  322.263  ?   ?   367.491   24.811      ?      ? 
1 1 1   -3    7   40 o  254.734   22.852  1189.36  205.742   0.0000   0.0000  1189.36  205.742  ?   ?   254.734   22.852      ?      ? 
1 1 1   -3    7   42 o  157.805   21.734  458.822  121.223   0.0000   0.0000  458.822  121.223  ?   ?   157.805   21.734      ?      ? 
1 1 1   -3    7   44 o   37.666   14.178   19.258   25.666   0.0000   0.0000   19.258   25.666  ?   ?    37.666   14.178      ?      ? 
1 1 1   -3    7   46 o  173.749   22.488  583.122  138.097   0.0000   0.0000  583.122  138.097  ?   ?   173.749   22.488      ?      ? 
1 1 1   -3    8    3 o  271.526   22.679  1309.22  217.645   0.0000   0.0000  1309.22  217.645  ?   ?   271.526   22.679      ?      ? 
1 1 1   -3    8    5 o  830.836   22.258 12368.45  614.244 12493.74  752.234 12117.74  1064.07  838.440   25.384  823.232   36.570 15.20782 44.51655 
1 1 1   -3    8    7 o  129.564   10.501  297.197   48.081  303.162   67.968  291.222   68.025  130.868   14.694  128.260   15.006 2.607483 21.00236 
1 1 1   -3    8    9 o  885.422   22.741 13802.60  674.182 13500.02  825.708 14407.73  1167.70  871.944   26.793  898.901   36.753 -26.95721 45.48263 
1 1 1   -3    8   11 o  547.392   14.276  5308.01  276.192  5315.88  390.560  5300.12  390.630  547.799   20.172  546.984   20.206 0.8148804 28.55114 
1 1 1   -3    8   13 o  1720.64   39.740 53879.06  2261.55 51385.18  3916.98 55126.13  2769.87  1684.88   65.775  1756.40   44.619 -71.51904 79.48083 
1 1 1   -3    8   15 o  648.440   15.166  7453.40  347.344  7133.35  491.155  7773.62  491.283  634.472   21.902  662.408   20.984 -27.93591 30.33193 
1 1 1   -3    8   17 o  550.559   17.367  5299.74  320.737  5618.25  555.469  5140.43  392.844  562.492   27.940  538.626   20.635 23.86560 34.73402 
1 1 1   -3    8   19 o  1657.94   31.100 49248.97  1821.84 47810.38  2576.42 50687.68  2576.52  1633.39   44.628  1682.49   43.327 -49.10071 62.20031 
1 1 1   -3    8   21 o  660.439   21.505  7776.84  501.100  7246.76  708.452  8307.55  708.874  637.718   31.431  683.159   29.358 -45.44061 43.00949 
1 1 1   -3    8   23 o  255.206   10.558  1155.16   95.041  1070.17  134.294  1240.43  134.524  245.769   15.460  264.644   14.382 -18.87451 21.11522 
1 1 1   -3    8   25 o  320.366   16.582  1829.44  187.689  1885.70  265.473  1773.20  265.393  325.333   23.087  315.399   23.807 9.934357 33.16334 
1 1 1   -3    8   27 o  357.992   12.021  2280.19  152.080  2240.07  215.038  2320.33  215.110  354.821   17.147  361.164   16.851 -6.342590 24.04133 
1 1 1   -3    8   29 o  270.787   13.472  1277.43  122.883  1420.38  212.903  1206.01  150.478  281.450   21.402  260.123   16.367 21.32651 26.94332 
1 1 1   -3    8   31 o  345.210   17.126  2154.62  208.953  2167.98  295.409  2141.25  295.599  346.309   24.135  344.112   24.304 2.196289 34.25171 
1 1 1   -3    8   33 o  394.336   25.223  2828.64  351.542   0.0000   0.0000  2828.64  351.542  ?   ?   394.336   25.223      ?      ? 
1 1 1   -3    8   35 o  142.280   21.367  366.150  107.451   0.0000   0.0000  366.150  107.451  ?   ?   142.280   21.367      ?      ? 
1 1 1   -3    8   37 o  854.143   39.075 14022.32  1179.64   0.0000   0.0000 14022.32  1179.64  ?   ?   854.143   39.075      ?      ? 
1 1 1   -3    8   39 o  197.305   22.041  710.758  153.708   0.0000   0.0000  710.758  153.708  ?   ?   197.305   22.041      ?      ? 
1 1 1   -3    8   41 f   66.004   19.746   80.646   49.642   0.0000   0.0000   80.646   49.642  ?   ?    66.004   19.746      ?      ? 
1 1 1   -3    8   43 o  126.301   22.773  305.736   97.920   0.0000   0.0000  305.736   97.920  ?   ?   126.301   22.773      ?      ? 
1 1 1   -3    9    2 o  817.705   21.772 11906.46  592.773 11926.28  726.008 11866.83  1026.68  819.658   25.060  815.753   35.609 3.904785 43.54316 
1 1 1   -3    9    4 o  208.731   15.406  773.109  113.511  728.394  160.521  817.831  160.535  202.669   22.409  214.792   21.146 -12.12305 30.81116 
1 1 1   -3    9    6 f  424.717   17.982  3201.12  269.927  3175.72  381.739  3226.52  381.729  423.025   25.532  426.409   25.328 -3.384247 35.96390 
1 1 1   -3    9    8 o  1189.30   28.844 25310.31  1140.97 25048.62  1976.09 25441.19  1397.43  1182.66   47.275  1195.93   33.060 -13.27307 57.68753 
1 1 1   -3    9   10 o  537.010   17.330  5073.56  311.278  5237.80  539.062  4991.40  381.267  543.191   28.078  530.828   20.321 12.36316 34.66027 
1 1 1   -3    9   12 o  783.956   21.386 10928.87  558.235 10880.05  966.779 10953.29  683.735  781.966   34.980  785.945   24.614 -3.978210 42.77179 
1 1 1   -3    9   14 o  618.788   17.908  6681.18  372.013  6451.17  455.618  7141.22  644.354  603.399   21.364  634.177   28.747 -30.77887 35.81624 
1 1 1   -3    9   16 o  556.059   13.960  5482.29  274.006  5160.46  387.408  5804.44  387.599  539.676   20.310  572.442   19.157 -32.76599 27.91959 
1 1 1   -3    9   18 o  932.279   23.455 15394.38  730.398 15216.76  894.549 15749.61  1265.09  925.435   27.349  939.124   38.114 -13.68909 46.91058 
1 1 1   -3    9   20 o  677.878   15.670  8155.49  375.400  8013.71  530.807  8297.36  530.984  671.959   22.350  683.797   21.970 -11.83813 31.34012 
1 1 1   -3    9   22 o  657.325   20.838  7733.50  481.489  6810.33  680.594  8658.47  681.264  617.554   31.181  697.096   27.650 -79.54297 41.67515 
1 1 1   -3    9   24 o  711.983   15.836  9033.82  397.989  8508.65  562.747  9559.33  562.936  691.108   23.038  732.858   21.733 -41.75049 31.67139 
1 1 1   -3    9   26 o  368.018   12.265  2410.08  159.513  2458.60  225.522  2361.49  225.649  371.752   17.164  364.285   17.526 7.467041 24.53051 
1 1 1   -3    9   28 o  587.973   14.492  6189.79  301.174  6168.18  425.874  6211.40  425.976  586.934   20.529  589.012   20.462 -2.077881 28.98492 
1 1 1   -3    9   30 o  152.846   10.318  416.257   55.736  408.975   78.776  423.556   78.870  151.497   14.712  154.195   14.472 -2.697525 20.63669 
1 1 1   -3    9   32 o  384.698   11.980  2651.08  162.721  2510.92  230.082  2791.34  230.162  374.386   17.388  395.009   16.486 -20.62228 23.96062 
1 1 1   -3    9   34 o  264.761   22.859  1271.63  213.907   0.0000   0.0000  1271.63  213.907  ?   ?   264.761   22.859      ?      ? 
1 1 1   -3    9   36 o   53.209   17.602   48.586   38.521   0.0000   0.0000   48.586   38.521  ?   ?    53.209   17.602      ?      ? 
1 1 1   -3    9   38 o  216.345   22.270  854.246  170.289   0.0000   0.0000  854.246  170.289  ?   ?   216.345   22.270      ?      ? 
1 1 1   -3    9   46 o   68.146   20.471   91.591   53.276   0.0000   0.0000   91.591   53.276  ?   ?    68.146   20.471      ?      ? 
1 1 1   -3   10    1 f  218.784   11.008  847.172   85.118  859.017  120.355  835.319  120.395  220.316   15.456  217.252   15.679 3.064667 22.01644 
1 1 1   -3   10    3 o  937.778   19.543 15611.63  647.736 15670.38  916.002 15552.87  916.073  939.551   27.584  936.005   27.691 3.545654 39.08502 
1 1 1   -3   10    5 o  218.907   10.903  848.091   84.349  832.412  119.241  863.794  119.333  216.880   15.556  220.935   15.282 -4.055801 21.80623 
1 1 1   -3   10    7 o  1194.78   28.490 25185.17  1139.70 24621.70  1395.84 26312.09  1974.01  1176.61   33.565  1212.94   46.046 -36.33215 56.98065 
1 1 1   -3   10    9 o  723.889   23.255  9318.23  594.831  9067.43  841.224  9569.03  841.213  714.087   33.330  733.692   32.439 -19.60498 46.51050 
1 1 1   -3   10   11 o  591.584   20.742  6215.15  433.667  6137.54  613.308  6292.74  613.287  587.873   29.517  595.295   29.148 -7.422363 41.48351 
1 1 1   -3   10   13 f  352.273   16.966  2200.58  211.237  2202.98  298.745  2198.18  298.723  352.466   23.981  352.080   24.005 0.3852844 33.93127 
1 1 1   -3   10   15 o  543.850   17.133  5289.30  309.189  5124.02  535.378  5372.01  378.732  537.048   28.205  550.651   19.460 -13.60321 34.26668 
1 1 1   -3   10   17 o  389.358   12.090  2686.17  166.270  2569.73  234.988  2802.92  235.296  380.886   17.455  397.830   16.734 -16.94400 24.18083 
1 1 1   -3   10   19 o  1352.87   25.944 32740.02  1240.51 32574.85  1754.25 32905.23  1754.46  1349.42   36.781  1356.32   36.598 -6.907471 51.88715 
1 1 1   -3   10   21 o  218.615   10.242  849.017   78.737  748.802  111.052  950.320  111.653  205.576   15.284  231.654   13.637 -26.07767 20.48310 
1 1 1   -3   10   23 o  329.809   13.846  2043.44  147.157  1646.65  254.418  2242.93  180.395  303.930   23.684  355.689   14.349 -51.75876 27.69177 
1 1 1   -3   10   25 o  384.879   11.938  2635.27  162.349  2561.65  229.476  2709.05  229.717  379.463   17.110  390.296   16.652 -10.83353 23.87583 
1 1 1   -3   10   27 o  305.205   11.530  1660.30  124.326  1715.90  175.725  1604.58  175.921  310.366   16.019  300.043   16.589 10.32269 23.06077 
1 1 1   -3   10   29 o  434.990   12.869  3387.53  197.705  3532.86  279.548  3242.11  279.646  444.447   17.796  425.534   18.593 18.91306 25.73709 
1 1 1   -3   10   31 o  439.863   16.123  3491.30  236.290  3520.91  409.228  3476.49  289.409  439.587   26.339  440.138   18.604 -0.5509033 32.24669 
1 1 1   -3   10   33 f  560.326   20.674  5786.39  409.425  5738.06  578.876  5834.76  579.152  557.890   29.357  562.762   29.117 -4.871338 41.34800 
1 1 1   -3   10   41 o  103.237   22.438  204.524   79.534   0.0000   0.0000  204.524   79.534  ?   ?   103.237   22.438      ?      ? 
1 1 1   -3   10   43 o  268.141   23.567  1366.77  223.349   0.0000   0.0000  1366.77  223.349  ?   ?   268.141   23.567      ?      ? 
1 1 1   -3   10   45 o  155.076   22.410  468.553  122.830   0.0000   0.0000  468.553  122.830  ?   ?   155.076   22.410      ?      ? 
1 1 1   -3   11    2 o  691.854   15.676  8483.02  383.282  8326.20  541.998  8639.90  542.086  685.440   22.372  698.268   21.965 -12.82849 31.35224 
1 1 1   -3   11    4 o  415.283   12.598  3053.24  184.909  3018.70  261.465  3087.81  261.538  412.929   17.915  417.638   17.718 -4.708771 25.19677 
1 1 1   -3   11    6 o  924.886   19.610 15188.75  640.621 15819.29  905.944 14558.12  906.005  944.176   27.147  905.596   28.306 38.58044 39.21992 
1 1 1   -3   11    8 o  627.634   15.368  6984.85  340.563  7345.63  481.595  6623.98  481.662  643.900   21.161  611.368   22.290 32.53131 30.73546 
1 1 1   -3   11   10 o  421.884   12.594  3151.50  187.775  3095.33  265.482  3207.74  265.624  418.115   17.965  425.653   17.656 -7.537689 25.18858 
1 1 1   -3   11   12 o  364.716   17.125  2359.57  220.743  2387.86  312.193  2331.29  312.161  366.910   24.074  362.522   24.363 4.388489 34.25027 
1 1 1   -3   11   14 o  856.287   21.884 12869.70  628.234 12507.57  769.419 13593.98  1088.15  839.308   25.937  873.267   35.255 -33.95911 43.76825 
1 1 1   -3   11   16 o  234.646   15.699  977.056  130.152  948.399  184.094  1005.69  184.031  231.192   22.529  238.101   21.868 -6.908691 31.39708 
1 1 1   -3   11   18 o  963.323   24.638 16480.30  793.092 16931.87  1373.51 16254.43  971.392  971.388   40.006  955.257   28.771 16.13141 49.27686 
1 1 1   -3   11   20 o  572.330   17.960  5814.58  342.996  5890.29  593.866  5776.69  420.161  574.403   29.252  570.257   20.846 4.145935 35.91968 
1 1 1   -3   11   22 o  590.109   18.559  6375.33  359.611  6665.33  440.266  5794.00  623.336  612.074   20.351  568.144   31.042 43.93011 37.11808 
1 1 1   -3   11   24 o  379.294   15.179  2572.79  191.615  2578.47  234.675  2561.45  331.903  380.613   17.445  377.974   24.844 2.639191 30.35724 
1 1 1   -3   11   26 f  270.498   11.715  1306.55  111.713  1412.12  157.817  1200.53  158.156  281.567   15.858  259.429   17.248 22.13736 23.43036 
1 1 1   -3   11   28 o  271.799   14.186  1304.29  129.466  1393.50  223.934  1259.50  158.672  278.073   22.785  265.524   16.907 12.54947 28.37241 
1 1 1   -3   11   30 o  426.707   18.689  3318.99  281.741  3420.70  397.835  3216.67  399.051  433.492   25.966  419.923   26.887 13.56863 37.37809 
1 1 1   -3   11   32 o  707.694   24.508  9384.95  612.499  9796.02  865.873  8973.24  866.537  724.157   33.830  691.231   35.469 32.92657 49.01515 
1 1 1   -3   11   34 o  381.260   17.887  2659.90  240.783  2794.15  340.372  2525.43  340.665  391.236   24.615  371.283   25.960 19.95300 35.77426 
1 1 1   -3   11   36 o  164.292   11.022  485.828   63.705  538.521   90.028  432.982   90.159  173.381   14.691  155.203   16.436 18.17870 22.04449 
1 1 1   -3   11   38 o  142.954   21.524  373.669  108.754   0.0000   0.0000  373.669  108.754  ?   ?   142.954   21.524      ?      ? 
1 1 1   -3   11   40 o  283.943   23.522  1499.50  236.059   0.0000   0.0000  1499.50  236.059  ?   ?   283.943   23.522      ?      ? 
1 1 1   -3   11   42 o  283.199   23.780  1520.09  238.024   0.0000   0.0000  1520.09  238.024  ?   ?   283.199   23.780      ?      ? 
1 1 1   -3   11   44 f  116.663   23.211  272.058   92.340   0.0000   0.0000  272.058   92.340  ?   ?   116.663   23.211      ?      ? 
1 1 1   -3   12    1 o  501.482   13.678  4454.36  242.390  4549.98  342.767  4358.71  342.815  506.878   19.133  496.087   19.552 10.79123 27.35549 
1 1 1   -3   12    3 o  301.842   11.565  1612.58  123.381  1604.38  174.454  1620.79  174.521  301.073   16.394  302.611   16.317 -1.537842 23.13041 
1 1 1   -3   12    5 o  517.506   13.771  4743.50  251.866  4689.65  356.146  4797.39  356.238  514.561   19.583  520.451   19.366 -5.889954 27.54126 
1 1 1   -3   12    7 o  1189.39   23.525 25168.31  988.923 25418.07  1398.50 24918.51  1398.60  1195.33   33.102  1183.45   33.437 11.88403 47.05045 
1 1 1   -3   12    9 o  890.920   18.838 14091.40  593.165 14219.21  838.803 13963.54  838.920  894.980   26.517  886.860   26.764 8.119812 37.67559 
1 1 1   -3   12   11 f  561.663   17.536  5538.29  329.862  5786.40  571.247  5414.18  404.028  570.636   28.323  552.689   20.683 17.94745 35.07125 
1 1 1   -3   12   13 o  713.689   16.206  9038.00  408.778  8948.68  578.002  9127.38  578.197  710.148   23.028  717.231   22.809 -7.083191 32.41183 
1 1 1   -3   12   15 o  365.167   12.442  2365.85  160.283  2530.18  226.581  2201.24  226.769  377.911   16.963  352.424   18.205 25.48700 24.88359 
1 1 1   -3   12   17 f  873.839   22.606 13550.28  659.882 13380.63  808.179 13889.62  1142.97  867.109   26.370  880.569   36.724 -13.45923 45.21125 
1 1 1   -3   12   19 o  228.030   13.451  924.830  102.090  928.009  125.028  918.468  176.844  228.801   15.461  227.260   22.016 1.540833 26.90278 
1 1 1   -3   12   21 o  615.007   21.354  6792.74  464.156  6735.70  656.449  6849.77  656.382  612.383   30.329  617.631   30.068 -5.248718 42.70766 
1 1 1   -3   12   23 f  173.227   21.827  536.604  133.641   0.0000   0.0000  536.604  133.641  ?   ?   173.227   21.827      ?      ? 
1 1 1   -3   12   25 o  447.982   26.305  3625.77  416.499   0.0000   0.0000  3625.77  416.499  ?   ?   447.982   26.305      ?      ? 
1 1 1   -3   12   27 o  538.168   21.048  5299.93  399.544  5669.84  564.595  4928.85  565.487  557.661   28.645  518.676   30.847 38.98468 42.09559 
1 1 1   -3   12   29 o  222.516   14.412  901.260  110.805  680.943  155.455  1128.79  157.980  194.076   22.663  250.957   17.811 -56.88036 28.82405 
1 1 1   -3   12   31 o  283.475   14.108  1440.18  133.495  1423.70  163.492  1473.14  231.232  281.949   16.406  285.001   22.955 -3.052826 28.21531 
1 1 1   -3   12   33 o  275.140   11.274  1356.26  109.631  1338.65  154.748  1374.00  155.336  273.329   16.018  276.950   15.869 -3.620911 22.54811 
1 1 1   -3   12   35 o  133.184   11.121  320.812   51.773  372.632   72.945  268.210   73.494  144.283   14.304  122.085   17.032 22.19829 22.24183 
1 1 1   -3   12   37 o  213.591   13.788  811.333   99.016  885.830  171.418  774.030  121.299  219.982   22.047  207.199   16.563 12.78354 27.57562 
1 1 1   -3   12   39 o  118.578   22.633  267.753   91.397   0.0000   0.0000  267.753   91.397  ?   ?   118.578   22.633      ?      ? 
1 1 1   -3   12   41 o  106.305   22.605  219.141   82.319   0.0000   0.0000  219.141   82.319  ?   ?   106.305   22.605      ?      ? 
1 1 1   -3   12   43 o   94.034   22.524  176.485   73.876   0.0000   0.0000  176.485   73.876  ?   ?    94.034   22.524      ?      ? 
1 1 1   -3   12   45 o   70.346   20.882   99.826   55.682   0.0000   0.0000   99.826   55.682  ?   ?    70.346   20.882      ?      ? 
1 1 1   -3   13    2 o  766.808   17.144 10433.77  464.433 10789.19  656.783 10078.30  656.831  779.923   23.826  753.693   24.657 26.23016 34.28761 
1 1 1   -3   13    4 o  592.786   14.785  6229.15  309.667  6406.66  437.905  6051.59  437.965  601.259   20.606  584.312   21.207 16.94733 29.56927 
1 1 1   -3   13    6 o  274.717   11.091  1336.19  107.662  1298.09  152.203  1374.34  152.311  270.790   15.903  278.644   15.465 -7.853149 22.18275 
1 1 1   -3   13    8 o  305.672   11.739  1654.94  126.769  1709.95  179.213  1599.84  179.345  310.768   16.316  300.576   16.882 10.19171 23.47763 
1 1 1   -3   13   10 o  487.445   16.312  4122.20  267.620  4520.54  463.455  3922.94  327.793  504.447   25.994  470.443   19.714 34.00323 32.62395 
1 1 1   -3   13   12 o  447.938   13.066  3556.79  206.799  3651.58  292.348  3461.85  292.568  453.931   18.222  441.946   18.730 11.98489 26.13130 
1 1 1   -3   13   14 o  438.275   12.927  3406.03  200.207  3476.45  282.999  3335.48  283.272  442.826   18.081  433.724   18.479 9.102051 25.85340 
1 1 1   -3   13   16 o  168.991   11.267  507.889   66.974  563.209   94.534  452.141   94.898  178.290   15.002  159.693   16.813 18.59720 22.53307 
1 1 1   -3   13   18 o  204.196   13.396  736.058   91.561  755.347  158.055  726.315  112.329  206.029   21.705  202.363   15.705 3.665970 26.79102 
1 1 1   -3   13   20 o  472.765   18.893  4006.52  315.690  4015.99  445.906  3997.01  447.002  473.341   26.653  472.189   26.784 1.152313 37.78582 
1 1 1   -3   13   22 o  129.117   21.119  298.165   96.378  298.165   96.378   0.0000   0.0000  129.117   21.119  ?   ?       ?      ? 
1 1 1   -3   13   24 o  276.376   22.904  1373.59  223.737  1373.59  223.737   0.0000   0.0000  276.376   22.904  ?   ?       ?      ? 
1 1 1   -3   13   26 o  433.498   18.354  3410.37  281.095  3523.18  397.576  3297.61  397.482  440.858   25.515  426.138   26.390 14.71933 36.70813 
1 1 1   -3   13   28 o  135.459   12.091  373.398   48.769  235.066   82.869  446.694   60.321  112.347   21.655  158.570   10.763 -46.22363 24.18181 
1 1 1   -3   13   30 o  137.760   12.424  337.346   57.252  330.716   70.119  350.608   99.166  136.075   14.579  139.444   20.121 -3.368790 24.84750 
1 1 1   -3   13   32 o  273.579   11.296  1340.96  109.217  1314.61  153.860  1367.72  155.059  270.847   16.072  276.310   15.877 -5.462738 22.59238 
1 1 1   -3   13   34 o  108.763   11.180  213.117   42.813  227.996   59.566  197.215   61.578  112.795   14.941  104.731   16.635 8.063675 22.36006 
1 1 1   -3   13   36 o  185.114   11.036  616.868   72.137  643.193  101.614  590.121  102.426  189.183   15.197  181.045   16.007 8.137817 22.07174 
1 1 1   -3   13   38 o  188.284   13.924  665.129   85.972  600.508  148.505  697.704  105.438  179.923   23.353  196.646   15.170 -16.72328 27.84738 
1 1 1   -3   13   40 o   54.122   17.947   51.660   40.036   0.0000   0.0000   51.660   40.036  ?   ?    54.122   17.947      ?      ? 
1 1 1   -3   13   42 o   86.083   21.994  147.031   67.162   0.0000   0.0000  147.031   67.162  ?   ?    86.083   21.994      ?      ? 
1 1 1   -3   13   44 o   65.505   20.194   84.824   51.394   0.0000   0.0000   84.824   51.394  ?   ?    65.505   20.194      ?      ? 
1 1 1   -3   14    1 o  962.561   19.856 16471.94  675.525 16540.49  955.293 16403.37  955.380  964.577   28.021  960.545   28.141 4.031128 39.71237 
1 1 1   -3   14    3 o  192.896   10.552  658.951   71.894  631.119  101.618  686.843  101.729  188.810   15.227  196.983   14.612 -8.172989 21.10389 
1 1 1   -3   14    5 o  437.612   13.010  3395.27  201.055  3558.40  284.305  3232.07  284.364  448.161   17.949  427.063   18.839 21.09857 26.02050 
1 1 1   -3   14    7 o  544.053   14.040  5247.66  269.980  5277.20  381.756  5218.10  381.864  545.590   19.797  542.516   19.915 3.073853 28.08058 
1 1 1   -3   14    9 o  160.861   10.599  458.229   60.258  462.970   85.092  453.460   85.343  161.697   14.889  160.024   15.089 1.673599 21.19820 
1 1 1   -3   14   11 o  435.876   16.017  3435.31  230.330  3552.99  282.105  3199.99  398.913  447.690   17.828  424.062   26.615 23.62836 32.03466 
1 1 1   -3   14   13 o  520.523   16.782  4868.97  289.453  4669.42  501.040  4968.93  354.616  511.847   27.696  529.199   18.959 -17.35236 33.56337 
1 1 1   -3   14   15 o  357.305   17.349  2275.26  219.007  2344.76  309.214  2205.29  310.235  362.832   24.112  351.779   24.952 11.05316 34.69841 
1 1 1   -3   14   17 o  233.889   13.962  997.473  110.546  666.847  155.351  1336.62  157.340  193.388   22.728  274.390   16.224 -81.00217 27.92441 
1 1 1   -3   14   19 o  526.676   17.233  4990.71  301.320  5033.38  368.805  4905.03  522.567  531.326   19.639  522.027   28.322 9.298706 34.46503 
1 1 1   -3   14   21 o  642.095   15.515  7389.92  352.082  7487.60  497.768  7292.12  498.071  646.405   21.787  637.785   22.095 8.619446 31.03028 
1 1 1   -3   14   23 o  179.147   11.429  574.445   72.011  636.518  101.514  511.572  102.167  189.018   15.195  169.275   17.076 19.74348 22.85819 
1 1 1   -3   14   25 o   84.050   9.4579  131.731   25.837   73.080   35.623  196.827   37.529   62.785   16.005  105.316   10.082 -42.53147 18.91579 
1 1 1   -3   14   27 o  138.933   13.955  369.545   60.661  401.679   74.306  305.341  105.033  150.084   14.008  127.783   24.141 22.30131 27.91038 
1 1 1   -3   14   29 o  112.701   15.669  237.590   60.184  248.599   85.255  226.654   84.971  115.471   21.686  109.930   22.623 5.540771 31.33830 
1 1 1   -3   14   31 o  292.794   13.895  1571.06  134.555  1475.64  231.946  1619.45  165.192  284.853   23.038  300.736   15.541 -15.88251 27.78995 
1 1 1   -3   14   33 o  316.096   14.444  1805.08  152.237  1790.28  186.446  1834.70  263.700  315.503   16.720  316.690   23.559 -1.186981 28.88896 
1 1 1   -3   14   35 o  265.409   12.015  1273.73  112.426  1368.61  158.390  1177.39  159.607  275.623   16.259  255.195   17.695 20.42709 24.03078 
1 1 1   -3   14   37 o  153.204   10.771  423.410   58.300  406.962   81.733  440.447   83.183  150.141   15.402  156.268   15.061 -6.127106 21.54187 
1 1 1   -3   14   39 o  132.728   15.905  334.204   72.973  317.769  103.299  350.576  103.101  128.234   23.663  137.222   21.258 -8.987930 31.80938 
1 1 1   -3   14   41 o   68.492   13.255   89.760   33.983  119.474   48.694   61.546   47.448   78.681   17.912   58.302   19.543 20.37939 26.50937 
1 1 1   -3   14   43 o   81.027   21.986  134.101   64.568   0.0000   0.0000  134.101   64.568  ?   ?    81.027   21.986      ?      ? 
1 1 1   -3   15    2 o  181.286   10.315  583.824   65.761  515.866   92.927  651.997   93.074  170.663   15.406  191.909   13.722 -21.24524 20.63073 
1 1 1   -3   15    4 o  433.275   13.018  3335.14  198.738  3637.03  281.038  3033.17  281.078  452.992   17.553  413.559   19.230 39.43237 26.03629 
1 1 1   -3   15    6 o  211.172   10.804  789.966   80.624  804.120  113.914  775.759  114.124  213.073   15.126  209.272   15.429 3.800735 21.60704 
1 1 1   -3   15    8 o  359.013   14.624  2314.15  173.895  2211.32  301.027  2365.64  213.036  352.669   24.150  365.356   16.497 -12.68631 29.24708 
1 1 1   -3   15   12 o  120.083   16.056  262.123   66.610  284.291   93.285  239.063   95.143  126.459   20.871  113.707   24.404 12.75198 32.11155 
1 1 1   -3   15   14 o  217.708   17.985  977.423  113.932  1168.49  139.322  591.713  197.952  256.637   15.360  178.778   32.526 77.85889 35.96992 
1 1 1   -3   15   16 f  226.073   11.050  907.954   88.285  919.333  124.638  896.495  125.072  227.505   15.500  224.642   15.752 2.862305 22.09973 
1 1 1   -3   15   18 o  573.898   14.519  5887.47  294.395  6059.20  416.186  5715.48  416.489  582.373   20.219  565.423   20.841 16.94977 29.03703 
1 1 1   -3   15   20 o  470.312   13.178  3953.01  219.036  4004.07  309.568  3901.81  309.961  473.391   18.502  467.232   18.770 6.158875 26.35555 
1 1 1   -3   15   22 o  396.557   15.676  2764.73  209.302  3044.09  362.138  2624.61  256.477  410.291   24.973  382.822   18.955 27.46918 31.35173 
1 1 1   -3   15   24 o  181.486   14.628  587.393   93.835  587.393   93.835   0.0000   0.0000  181.486   14.628  ?   ?       ?      ? 
1 1 1   -3   15   26 o  196.096   10.740  686.942   74.433  677.253  104.787  696.809  105.748  194.695   15.228  197.497   15.149 -2.802032 21.47978 
1 1 1   -3   15   28 o  105.398   12.774  209.099   45.080  266.034   62.643  147.943   64.924  122.034   14.524   88.763   21.019 33.27036 25.54868 
1 1 1   -3   15   30 o  204.528   15.520  759.296  112.133  788.349  158.695  730.328  158.464  208.537   21.531  200.519   22.359 8.018204 31.04043 
1 1 1   -3   15   32 o  429.855   18.548  3409.65  281.788  3428.42  398.573  3390.90  398.444  431.086   26.159  428.623   26.301 2.463379 37.09501 
1 1 1   -3   15   34 o  259.168   14.324  1232.46  123.555  1194.29  211.984  1252.10  152.052  254.757   23.543  263.578   16.322 -8.821106 28.64705 
1 1 1   -3   15   36 o  191.027   15.718  674.503  106.018  641.838  149.983  707.123  149.881  186.189   22.791  195.864   21.651 -9.675323 31.43553 
1 1 1   -3   15   38 o   91.528   15.678  162.596   50.272  148.451   71.146  176.701   71.046   87.387   22.796   95.669   21.531 -8.281197 31.35655 
1 1 1   -3   15   40 o  103.809   16.181  213.898   57.778  206.268   81.779  221.502   81.643  101.757   23.247  105.861   22.513 -4.104088 32.36161 
1 1 1   -3   15   42 o  114.911   15.931  265.917   63.343  300.503   89.786  231.647   89.375  124.335   20.431  105.487   24.449 18.84742 31.86209 
1 1 1   -3   16    1 o  718.421   19.778  9105.89  475.775  9516.23  824.019  8900.68  582.720  729.423   31.962  707.418   23.306 22.00543 39.55683 
1 1 1   -3   16    3 o  593.781   17.915  6232.31  355.661  6422.54  615.927  6137.15  435.628  599.811   29.053  587.750   20.970 12.06116 35.83071 
1 1 1   -3   16    5 o  902.400   27.087 14655.51  863.906 14525.75  1221.55 14785.36  1221.94  898.333   38.473  906.467   38.140 -8.134399 54.17390 
1 1 1   -3   16    7 o  477.990   18.898  4076.53  319.263  4087.07  451.271  4065.98  451.742  478.617   26.676  477.364   26.774 1.253387 37.79560 
1 1 1   -3   16    9 o  872.039   37.587 13726.49  1158.50 13726.49  1158.50   0.0000   0.0000  872.039   37.587  ?   ?       ?      ? 
1 1 1   -3   16   11 o  241.245   11.194  1033.70   95.366  1082.77  134.760  984.471  134.976  247.010   15.436  235.480   16.217 11.53027 22.38899 
1 1 1   -3   16   13 o  787.329   17.571 11101.19  488.809 11423.73  691.201 10778.49  691.359  798.924   24.478  775.735   25.216 23.18933 35.14270 
1 1 1   -3   16   15 o  351.788   12.022  2203.51  149.462  2238.30  211.221  2168.63  211.523  354.592   16.853  348.985   17.149 5.607056 24.04401 
1 1 1   -3   16   17 o  660.748   16.002  7843.03  373.244  8286.67  527.724  7398.97  527.969  679.756   21.965  641.740   23.277 38.01575 32.00452 
1 1 1   -3   16   19 o  232.910   11.737  971.664   96.078  1087.13  135.684  855.544  136.066  246.979   15.543  218.840   17.591 28.13884 23.47468 
1 1 1   -3   16   21 o  348.365   11.859  2169.17  145.955  2096.85  206.146  2241.85  206.678  342.481   17.030  354.248   16.507 -11.76639 23.71718 
1 1 1   -3   16   23 o  349.793   12.436  2194.28  153.532  2321.24  216.841  2066.65  217.414  360.096   17.037  339.490   18.119 20.60562 24.87127 
1 1 1   -3   16   25 o  318.552   15.253  1849.39  168.902  1463.08  237.483  2244.80  240.268  283.878   23.669  353.227   19.245 -69.34894 30.50577 
1 1 1   -3   16   27 o  194.155   11.107  675.945   76.081  709.260  106.461  641.172  108.767  199.143   15.125  189.167   16.268 9.975815 22.21303 
1 1 1   -3   16   29 o  125.461   12.753  276.736   53.864  262.593   65.990  304.969   93.235  121.078   15.420  129.843   20.316 -8.765305 25.50552 
1 1 1   -3   16   31 o  179.835   10.454  579.237   66.257  521.439   92.155  641.083   95.328  170.467   15.295  189.204   14.255 -18.73613 20.90815 
1 1 1   -3   16   33 o   39.015   9.9318   23.163   17.375   26.267   22.293   18.359   27.730   39.648   13.395   38.382   14.668 1.265923 19.86363 
1 1 1   -3   16   35 o  271.964   16.585  1374.99  159.329  1325.26  225.451  1424.61  225.198  266.789   23.909  277.140   22.990 -10.35190 33.16934 
1 1 1   -3   16   37 o   82.083   14.738  129.981   42.015  127.406   68.354  131.545   53.266   81.138   22.858   83.027   18.612 -1.888283 29.47694 
1 1 1   -3   16   39 o   72.394   13.761  101.027   37.647   61.179   52.917  141.863   53.569   59.033   20.613   85.754   18.235 -26.72053 27.52146 
1 1 1   -3   16   41 o   34.851   13.319   16.222   22.868   0.0000   0.0000   16.222   22.868  ?   ?    34.851   13.319      ?      ? 
1 1 1   -3   17    2 o  859.674   37.274 13364.57  1132.56 13364.57  1132.56   0.0000   0.0000  859.674   37.274  ?   ?       ?      ? 
1 1 1   -3   17    4 o  915.666   39.074 15210.13  1264.56 15210.13  1264.56   0.0000   0.0000  915.666   39.074  ?   ?       ?      ? 
1 1 1   -3   17    6 o  156.501   12.486  423.158   65.922  475.700  114.110  396.838   80.762  163.475   19.749  149.527   15.282 13.94762 24.97119 
1 1 1   -3   17    8 o  534.777   17.112  5029.85  307.201  5386.78  532.024  4851.33  376.266  547.848   27.476  521.706   20.406 26.14197 34.22441 
1 1 1   -3   17   10 o  539.095   14.240  5187.94  271.070  5443.34  383.277  4932.35  383.424  552.505   19.627  525.685   20.636 26.82013 28.47958 
1 1 1   -3   17   12 o  175.798   10.731  549.543   66.678  549.409   94.123  549.679   94.472  175.778   15.150  175.818   15.203 -0.3935242E-01 21.46261 
1 1 1   -3   17   14 o  395.897   12.275  2795.74  171.731  2735.90  242.719  2855.73  243.010  391.617   17.536  400.177   17.181 -8.559296 24.54977 
1 1 1   -3   17   16 o  166.427   11.082  496.864   64.573  572.790   91.114  420.247   91.528  179.397   14.370  153.458   16.875 25.93900 22.16438 
1 1 1   -3   17   18 o  268.197   11.619  1285.10  110.053  1341.87  155.462  1228.08  155.816  274.202   16.041  262.191   16.814 12.01050 23.23854 
1 1 1   -3   17   20 o  117.301   9.8075  246.379   40.197  201.881   56.320  292.584   57.390  106.372   14.980  128.232   12.663 -21.85989 19.61495 
1 1 1   -3   17   22 o  296.645   11.593  1575.03  121.525  1610.81  171.568  1539.00  172.157  300.076   16.177  293.214   16.612 6.862366 23.18699 
1 1 1   -3   17   24 o   31.805   8.0162   15.397   11.454   19.117   14.877   9.9829   17.949   33.455   10.932   30.155   11.727 3.300837 16.03231 
1 1 1   -3   17   26 o  448.486   15.717  3603.19  236.265  3794.70  408.462  3506.89  289.635  455.575   25.367  441.397   18.565 14.17773 31.43500 
1 1 1   -3   17   28 o  108.537   9.7779  208.726   37.265  178.342   50.364  245.485   55.396   99.845   14.272  117.229   13.370 -17.38403 19.55584 
1 1 1   -3   17   30 f  201.318   10.811  726.934   76.888  707.577  106.661  747.873  110.936  198.549   15.199  204.087   15.379 -5.537872 21.62256 
1 1 1   -3   17   32 o  144.638   13.368  384.656   63.923  393.584   78.318  366.838  110.638  147.925   14.980  141.352   22.145 6.572861 26.73587 
1 1 1   -3   17   34 o   30.996   8.4343   11.170   12.317   10.084   14.914   13.500   21.847   28.327   10.773   33.665   12.981 -5.338215 16.86866 
1 1 1   -3   17   36 o  106.188   14.476  215.491   51.176  204.680   84.169  221.832   64.459  102.216   23.750  110.160   16.555 -7.944008 28.95114 
1 1 1   -3   17   40 o   99.647   23.185  204.740   80.121  204.740   80.121   0.0000   0.0000   99.647   23.185  ?   ?       ?      ? 
1 1 1   -3   18    1 o  450.627   12.962  3618.47  206.426  3685.98  291.893  3550.92  291.969  454.867   18.156  446.386   18.506 8.480713 25.92488 
1 1 1   -3   18    3 o   82.978   10.834  125.419   30.892  146.009   43.662  104.780   43.714   90.687   13.622   75.269   16.852 15.41876 21.66876 
1 1 1   -3   18    5 o  235.874   13.930  1015.62  108.068  1058.88  132.370  929.152  187.139  244.039   15.347  227.710   23.252 16.32918 27.85996 
1 1 1   -3   18    7 o  373.965   17.367  2513.26  229.455  2597.97  324.545  2428.60  324.452  380.371   24.141  367.559   24.975 12.81216 34.73493 
1 1 1   -3   18    9 o  276.616   16.175  1373.39  158.131  1393.15  223.674  1353.65  223.587  278.636   22.712  274.597   23.037 4.039185 32.35058 
1 1 1   -3   18   11 o  340.545   14.453  2069.94  164.217  2099.36  284.296  2055.21  201.172  341.611   23.546  339.479   16.766 2.131897 28.90542 
1 1 1   -3   18   13 o  515.698   13.615  4761.25  248.145  4700.42  350.802  4822.17  351.059  512.361   19.372  519.035   19.137 -6.674194 27.22987 
1 1 1   -3   18   15 o  601.452   14.982  6504.99  318.356  6716.17  450.108  6293.60  450.339  611.394   20.829  591.510   21.541 19.88348 29.96427 
1 1 1   -3   18   17 o  172.089   10.797  528.842   65.617  552.283   92.625  505.227   92.970  175.960   14.893  168.218   15.637 7.742798 21.59453 
1 1 1   -3   18   19 o  143.537   10.220  369.597   51.331  308.740   72.307  431.427   72.882  131.450   15.563  155.623   13.250 -24.17270 20.43967 
1 1 1   -3   18   21 o  260.570   16.153  1230.82  148.711  1194.15  210.344  1267.47  210.273  256.589   23.194  264.552   22.488 -7.963776 32.30589 
1 1 1   -3   18   23 o  162.363   11.329  474.292   64.623  528.708   90.873  418.618   91.918  171.967   14.951  152.758   17.025 19.20877 22.65763 
1 1 1   -3   18   25 o  211.381   12.563  764.166   88.880  689.648  107.361  926.481  158.452  196.245   15.478  226.517   19.791 -30.27173 25.12537 
1 1 1   -3   18   27 o  384.543   12.457  2664.36  169.301  2684.98  238.807  2643.52  240.054  386.088   17.500  382.999   17.733 3.089447 24.91440 
1 1 1   -3   18   29 o  311.894   11.703  1752.04  128.993  1728.52  180.879  1776.37  184.009  309.775   16.520  314.013   16.580 -4.237091 23.40524 
1 1 1   -3   18   31 o  139.328   12.978  345.250   62.321  386.048  102.084  321.009   78.687  145.424   19.861  133.231   16.710 12.19240 25.95530 
1 1 1   -3   18   33 o  224.084   22.632  933.654  179.246  933.654  179.246   0.0000   0.0000  224.084   22.632  ?   ?       ?      ? 
1 1 1   -3   18   35 o  291.503   15.156  1596.44  152.652  1201.77  210.670  2032.75  221.504  251.601   23.690  331.405   18.910 -79.80377 30.31226 
1 1 1   -3   18   37 o   80.701   15.483  129.617   45.490  144.580   64.134  114.467   64.532   85.359   21.321   76.043   22.458 9.316902 30.96646 
1 1 1   -3   18   39 o  119.068   16.798  293.023   68.191  268.507   96.489  317.486   96.386  113.204   24.801  124.932   22.663 -11.72770 33.59620 
1 1 1   -3   19    2 o  424.204   12.741  3214.55  190.939  3329.50  270.000  3099.56  270.058  431.873   17.688  416.536   18.344 15.33749 25.48267 
1 1 1   -3   19    4 o   71.113   11.322   94.049   27.914  112.316   39.453   75.738   39.501   78.172   14.822   64.054   17.120 14.11849 22.64425 
1 1 1   -3   19    6 o  183.465   10.745  599.976   69.591  632.728   98.354  567.141   98.479  188.524   14.761  178.407   15.617 10.11641 21.48911 
1 1 1   -3   19    8 o   42.794   9.8843   32.047   17.408   39.612   21.363   17.097   30.032   46.469   12.662   39.119   15.181 7.349701 19.76854 
1 1 1   -3   19   10 f  303.277   14.390  1663.81  144.678  1690.09  177.203  1611.27  250.562  307.728   16.292  298.826   23.723 8.901245 28.77911 
1 1 1   -3   19   12 o  288.147   16.318  1499.33  166.037  1572.09  234.871  1426.64  234.753  295.287   22.504  281.008   23.636 14.27890 32.63587 
1 1 1   -3   19   14 o  394.414   17.826  2823.91  248.498  2806.07  351.472  2841.74  351.386  393.134   25.295  395.695   25.125 -2.561401 35.65229 
1 1 1   -3   19   16 o  259.989   15.921  1224.77  145.776  1342.94  206.268  1106.85  206.049  272.832   21.390  247.146   23.588 25.68578 31.84260 
1 1 1   -3   19   18 o  178.185   10.488  567.182   66.014  544.372   93.124  590.223   93.593  174.549   15.095  181.820   14.564 -7.270798 20.97518 
1 1 1   -3   19   20 o  239.585   10.855  1027.96   91.692  942.421  129.326  1114.42  130.022  229.437   15.948  249.733   14.731 -20.29596 21.70996 
1 1 1   -3   19   22 o  231.282   10.938  957.501   89.400  934.423  125.963  980.924  126.902  228.449   15.600  234.115   15.336 -5.666397 21.87626 
1 1 1   -3   19   24 o  208.559   11.280  780.918   83.080  811.113  116.935  750.139  118.060  212.710   15.554  204.408   16.341 8.301956 22.56005 
1 1 1   -3   19   26 o  376.501   16.825  2602.11  222.933  2315.12  313.008  2897.57  317.591  354.718   24.966  398.285   22.561 -43.56702 33.64967 
1 1 1   -3   19   28 o  195.787   14.216  697.396   96.010  512.453  131.247  910.286  140.815  167.240   22.204  224.334   17.760 -57.09378 28.43270 
1 1 1   -3   19   30 o  118.402   19.501  290.878   85.953  402.106  112.328  133.747  133.509  147.849   21.496   88.955   32.544 58.89365 39.00253 
1 1 1   -3   19   32 o  125.125   16.902  310.767   62.628  323.067   72.338  273.957  125.144  133.516   15.329  116.735   30.127 16.78017 33.80299 
1 1 1   -3   19   34 o  170.494   13.421  537.872   76.200  533.774   93.342  546.059  131.937  170.923   15.451  170.065   21.950 0.8576050 26.84271 
1 1 1   -3   19   36 o  186.222   16.115  675.690  105.928  711.990  149.838  639.422  149.772  191.730   22.111  180.713   23.449 11.01709 32.22955 
1 1 1   -3   19   38 o   99.360   16.395  205.288   56.545  197.322   79.933  213.267   80.000   97.175   23.525  101.545   22.843 -4.370117 32.79054 
1 1 1   -3   20    1 o  335.939   11.915  2016.72  141.445  2065.22  199.999  1968.18  200.068  340.026   16.642  331.852   17.057 8.173889 23.83060 
1 1 1   -3   20    3 o  196.523   10.737  688.918   74.541  713.632  105.376  664.166  105.456  200.085   14.901  192.962   15.463 7.122910 21.47379 
1 1 1   -3   20    5 o  271.025   11.598  1315.18  110.690  1444.15  156.513  1186.12  156.565  284.494   15.565  257.556   17.199 26.93762 23.19666 
1 1 1   -3   20    7 f  118.816   15.802  262.457   63.924  261.651   90.423  263.263   90.381  118.620   22.388  119.012   22.306 -0.3921890 31.60369 
1 1 1   -3   20    9 o  124.321   10.882  276.768   47.599  306.312   67.214  247.046   67.416  131.067   14.509  117.575   16.223 13.49162 21.76462 
1 1 1   -3   20   11 o  255.183   11.170  1163.62  100.743  1146.97  142.363  1180.33  142.582  253.336   15.899  257.030   15.695 -3.694183 22.34097 
1 1 1   -3   20   13 o  229.970   11.091  945.360   90.148  941.914  127.369  948.820  127.609  229.548   15.699  230.392   15.671 -0.8446503 22.18190 
1 1 1   -3   20   15 o  390.649   15.676  2815.76  201.528  2921.24  246.839  2604.89  349.004  403.629   17.303  377.668   26.146 25.96152 31.35246 
1 1 1   -3   20   17 o  291.161   14.243  1539.82  137.526  1560.95  168.453  1497.60  238.150  295.237   16.143  287.085   23.470 8.151794 28.48614 
1 1 1   -3   20   19 o  246.548   16.001  1103.66  139.437  1108.55  197.269  1098.78  197.117  247.105   22.587  245.990   22.672 1.115784 32.00285 
1 1 1   -3   20   21 o  183.680   15.657  604.564  101.645   0.0000   0.0000  604.564  101.645  ?   ?   183.680   15.657      ?      ? 
1 1 1   -3   20   23 o  360.969   24.922  2393.42  317.963   0.0000   0.0000  2393.42  317.963  ?   ?   360.969   24.922      ?      ? 
1 1 1   -3   20   25 o  288.656   15.926  1524.01  161.988  1372.07  225.743  1685.30  232.581  273.458   23.356  303.855   21.656 -30.39691 31.85150 
1 1 1   -3   20   27 o   51.354   17.455   44.486   37.858   44.486   37.858   0.0000   0.0000   51.354   17.455  ?   ?       ?      ? 
1 1 1   -3   20   29 o  203.727   11.414  754.094   81.900  808.386  114.368  696.948  117.336  211.529   15.297  195.924   16.944 15.60504 22.82799 
1 1 1   -3   20   31 o  103.709   12.106  201.622   42.654  216.217   57.117  183.221   64.134  109.211   14.797   98.208   19.165 11.00292 24.21243 
1 1 1   -3   20   33 o   85.664   11.829  137.427   34.199  125.689   44.751  153.904   53.023   81.418   16.122   89.911   17.313 -8.492722 23.65710 
1 1 1   -3   20   35 o  144.854   15.816  410.152   80.937  396.814  114.375  423.531  114.550  142.256   22.748  147.451   21.980 -5.194962 31.63199 
1 1 1   -3   21    2 o  417.577   12.858  3130.08  189.515  3312.86  267.983  2947.22  268.047  429.964   17.634  405.189   18.717 24.77563 25.71547 
1 1 1   -3   21    4 o  190.905   10.786  650.924   72.765  637.960  102.858  663.913  102.953  188.983   15.399  192.828   15.106 -3.844406 21.57137 
1 1 1   -3   21    6 o  238.089   22.459  1025.12  188.993  1025.12  188.993   0.0000   0.0000  238.089   22.459  ?   ?       ?      ? 
1 1 1   -3   21    8 o  378.979   12.256  2574.27  164.163  2566.01  232.075  2582.55  232.247  378.364   17.354  379.595   17.311 -1.230927 24.51151 
1 1 1   -3   21   10 o  403.029   12.526  2914.44  178.427  2881.62  252.230  2947.31  252.438  400.726   17.809  405.332   17.621 -4.606384 25.05264 
1 1 1   -3   21   12 f  116.259   10.021  241.394   41.123  226.662   57.964  256.325   58.352  112.653   14.558  119.864   13.774 -7.210999 20.04107 
1 1 1   -3   21   14 o  357.503   12.488  2301.18  157.166  2533.39  222.169  2068.56  222.363  375.899   16.722  339.107   18.553 36.79169 24.97664 
1 1 1   -3   21   16 o  138.732   14.146  322.125   65.020  483.145  112.195  240.700   79.784  163.695   19.392  113.769   20.600 49.92683 28.29111 
1 1 1   -3   21   18 o  198.626   16.290  720.307  113.905  787.107  160.365  652.294  161.816  208.254   21.787  188.997   24.224 19.25690 32.58022 
1 1 1   -3   21   20 o  417.612   25.931  3211.71  382.749  3211.71  382.749   0.0000   0.0000  417.612   25.931  ?   ?       ?      ? 
1 1 1   -3   21   22 o  131.169   14.307  308.293   66.328  308.293   66.328   0.0000   0.0000  131.169   14.307  ?   ?       ?      ? 
1 1 1   -3   21   24 o  278.304   16.454  1425.03  161.833  1447.30  228.980  1402.80  228.752  280.560   23.091  276.048   23.445 4.511780 32.90754 
1 1 1   -3   21   26 o   57.636   12.759   29.482   23.624   13.623   25.595  120.722   61.392   35.595   13.959   79.677   21.363 -44.08223 25.51890 
1 1 1   -3   21   28 o  104.311   10.667  195.831   39.213  177.380   53.436  217.361   57.721   98.984   15.274  109.637   14.896 -10.65299 21.33475 
1 1 1   -3   21   30 o  253.279   14.387  1211.93  120.033  1246.21  147.054  1143.48  207.779  261.248   15.926  245.311   23.964 15.93706 28.77361 
1 1 1   -3   21   32 o  103.601   12.689  207.745   44.209  232.738   58.818  175.288   67.025  112.639   14.774   94.563   20.634 18.07589 25.37762 
1 1 1   -3   21   34 o  133.757   16.706  361.887   76.704  315.332  108.603  408.225  108.350  122.844   25.833  144.671   21.190 -21.82737 33.41146 
1 1 1   -3   22    1 f  317.407   11.831  1806.55  132.586  1900.69  187.473  1712.34  187.536  325.802   16.280  309.011   17.171 16.79144 23.66194 
1 1 1   -3   22    3 o  204.171   11.294  751.969   80.503  885.346  113.826  618.492  113.869  222.661   14.464  185.681   17.351 36.98019 22.58862 
1 1 1   -3   22    5 o  170.478   13.328  507.266   76.700  575.183  132.701  473.194   93.990  178.419   21.043  162.536   16.361 15.88303 26.65518 
1 1 1   -3   22    7 o  296.054   11.769  1571.62  123.069  1633.00  173.933  1510.08  174.159  301.930   16.299  290.178   16.981 11.75266 23.53722 
1 1 1   -3   22    9 o   67.189   10.676   83.942   24.739   87.463   34.664   80.289   35.316   68.679   14.723   65.698   15.466 2.981476 21.35284 
1 1 1   -3   22   11 o  263.919   14.078  1275.58  122.738  1202.35  212.263  1312.36  150.438  257.113   23.358  270.726   15.722 -13.61295 28.15606 
1 1 1   -3   22   13 o  333.412   16.035  2039.31  185.777  1617.16  262.132  2465.34  263.330  297.445   24.934  369.379   20.170 -71.93454 32.07085 
1 1 1   -3   22   15 o  262.675   16.304  1257.66  151.357  1268.13  213.310  1247.03  214.799  263.841   22.874  261.510   23.239 2.330475 32.60833 
1 1 1   -3   22   17 o  258.261   14.373  1228.21  122.078  1264.01  149.110  1155.43  212.607  265.333   15.900  251.189   23.947 14.14381 28.74504 
1 1 1   -3   22   19 o  328.477   11.878  1943.32  137.891  1909.30  194.681  1977.56  195.335  325.548   16.920  331.406   16.676 -5.858002 23.75640 
1 1 1   -3   22   21 o  306.284   11.642  1691.23  126.034  1685.30  177.846  1697.21  178.634  305.747   16.457  306.821   16.473 -1.073151 23.28498 
1 1 1   -3   22   23 o  223.292   11.734  906.114   92.057  1001.65  128.887  806.620  131.529  235.700   15.471  210.884   17.646 24.81667 23.46829 
1 1 1   -3   22   25 o   93.710   13.360  160.034   40.899  147.288   50.104  185.488   70.804   88.775   16.578   98.645   20.954 -9.869858 26.71922 
1 1 1   -3   22   27 o  162.723   21.979  494.540  126.410  494.540  126.410   0.0000   0.0000  162.723   21.979  ?   ?       ?      ? 
1 1 1   -3   22   29 o  158.437   15.671  476.151   87.742  468.200  124.127  484.091  124.045  157.014   22.367  159.860   21.954 -2.845413 31.34112 
1 1 1   -3   22   31 o  293.729   15.266  1684.26  148.101  1596.95  254.205  1729.12  182.221  283.146   25.401  304.312   16.942 -21.16617 30.53264 
1 1 1   -3   22   33 o   51.285   12.465   47.418   27.221   47.159   40.759   47.626   36.573   51.558   18.086   51.012   17.157 0.5466194 24.92919 
1 1 1   -3   23    2 o  216.155   11.235  841.198   85.153  961.125  120.415  721.237  120.433  231.855   14.694  200.455   16.998 31.39990 22.46915 
1 1 1   -3   23    4 o  135.939   12.622  323.919   57.983  360.502   99.734  305.241   71.264  141.298   19.970  130.579   15.441 10.72005 25.24370 
1 1 1   -3   23    6 o  121.489   13.280  258.439   54.597  291.672   93.859  241.443   67.122  126.946   20.919  116.031   16.367 10.91482 26.56078 
1 1 1   -3   23    8 o  137.311   16.559  350.756   77.867  400.343  109.631  300.273  110.616  148.700   20.859  125.923   25.723 22.77699 33.11798 
1 1 1   -3   23   10 o  188.126   15.140  643.084  100.429  590.685  141.460  696.333  142.603  180.202   22.210  196.050   20.580 -15.84767 30.27905 
1 1 1   -3   23   12 o  132.092   13.051  316.557   56.793  319.661   69.078  310.081   99.768  133.607   14.628  130.578   21.617 3.028519 26.10157 
1 1 1   -3   23   14 o  228.348   11.393  938.291   91.783  999.315  129.559  876.809  130.043  235.944   15.536  220.751   16.667 15.19337 22.78515 
1 1 1   -3   23   16 o  181.906   10.413  593.971   66.842  553.824   94.214  634.659   94.847  175.628   15.178  188.183   14.260 -12.55461 20.82563 
1 1 1   -3   23   18 o  115.021   10.787  238.675   43.694  256.860   61.084  219.620   62.527  119.625   14.447  110.418   16.022 9.207039 21.57348 
1 1 1   -3   23   20 o  289.916   11.353  1518.89  116.108  1408.36  163.714  1630.75  164.695  279.083   16.597  300.749   15.494 -21.66583 22.70505 
1 1 1   -3   23   22 o  261.044   11.343  1233.76  104.647  1231.66  146.785  1235.93  149.232  260.866   15.920  261.223   16.163 -0.3569031 22.68699 
1 1 1   -3   23   24 o   65.522   10.168   75.579   23.588   48.870   30.778  113.594   36.719   51.624   15.571   79.420   13.081 -27.79642 20.33656 
1 1 1   -3   23   26 o   67.408   12.121   89.290   29.560  110.023   39.051   61.470   45.236   76.520   14.975   58.295   19.064 18.22479 24.24251 
1 1 1   -3   23   28 o  240.937   14.241  1147.79  111.197  949.880  189.482  1251.75  137.331  220.738   24.287  261.137   14.879 -40.39900 28.48234 
1 1 1   -3   23   30 o  248.555   14.462  1190.85  119.328  1185.41  146.186  1201.71  206.571  251.475   16.447  245.635   23.794 5.839996 28.92472 
1 1 1   -3   24    1 o  284.966   16.206  1458.61  163.228   0.0000   0.0000  1458.61  163.228  ?   ?   284.966   16.206      ?      ? 
1 1 1   -3   24    3 o  266.939   16.439  1302.71  154.957  1363.04  218.895  1242.10  219.391  273.358   22.656  260.519   23.826 12.83939 32.87851 
1 1 1   -3   24    5 o  132.939   21.484  321.462  100.946  321.462  100.946   0.0000   0.0000  132.939   21.484  ?   ?       ?      ? 
1 1 1   -3   24    7 o  158.370   15.049  489.925   73.703  540.420   90.165  388.242  127.950  173.663   14.690  143.077   26.270 30.58682 30.09803 
1 1 1   -3   24    9 o  147.272   10.717  389.264   55.770  398.055   78.657  380.378   79.086  148.976   14.938  145.568   15.371 3.408340 21.43432 
1 1 1   -3   24   11 o  193.420   10.747  672.326   73.338  624.672  103.450  720.470  103.982  186.421   15.701  200.418   14.679 -13.99731 21.49381 
1 1 1   -3   24   13 o  333.102   11.937  2001.88  140.533  2021.30  198.579  1982.40  198.909  334.760   16.783  331.444   16.979 3.315521 23.87437 
1 1 1   -3   24   15 o   76.783   11.354  110.796   29.806  123.404   41.364   97.180   42.985   81.642   14.883   71.923   17.151 9.718285 22.70808 
1 1 1   -3   24   17 o  143.503   11.022  373.771   55.443  424.864   78.050  321.732   78.770  153.683   14.369  133.323   16.716 20.36081 22.04313 
1 1 1   -3   24   19 o  101.906   10.571  187.258   38.046  177.538   52.866  197.700   54.796   99.147   15.086  104.666   14.812 -5.518875 21.14226 
1 1 1   -3   24   21 o  260.114   11.783  1236.39  107.885  1347.41  151.512  1122.20  153.657  272.418   15.736  247.811   17.543 24.60767 23.56659 
1 1 1   -3   24   23 o   68.376   11.738   90.519   28.120  102.375   37.206   74.726   42.943   73.838   14.772   62.915   18.246 10.92278 23.47668 
1 1 1   -3   24   25 o  112.228   10.724  228.998   42.041  184.847   56.947  281.882   62.325  100.182   16.083  124.272   14.189 -24.09015 21.44752 
1 1 1   -3   24   27 o  100.146   11.166  186.092   39.337  183.782   53.011  188.923   58.683   99.681   15.046  100.612   16.502 -0.9310532 22.33203 
1 1 1   -3   24   29 o   54.165   13.214   55.816   29.175   65.632   32.404   13.795   67.044   58.144   15.490   50.187   21.413 7.957661 26.42827 
1 1 1   -3   25    2 o  153.435   15.213  422.987   82.502  422.987   82.502   0.0000   0.0000  153.435   15.213  ?   ?       ?      ? 
1 1 1   -3   25    4 o   60.251   13.463   65.122   32.114   68.681   45.439   61.571   45.393   61.509   18.993   58.993   19.085 2.516773 26.92508 
1 1 1   -3   25    6 o  129.982   15.664  313.988   70.321  334.087   99.490  293.922   99.409  135.335   20.799  124.629   23.428 10.70604 31.32829 
1 1 1   -3   25    8 o  101.082   13.266  192.646   43.507  176.956   74.594  200.735   53.562   96.416   22.329  105.747   14.331 -9.331421 26.53182 
1 1 1   -3   25   10 o  188.660   10.899  641.331   72.651  657.760  102.404  624.682  103.088  191.152   15.157  186.167   15.667 4.984955 21.79890 
1 1 1   -3   25   12 o  115.127   13.711  246.557   50.936  248.535   62.335  242.581   88.363  117.456   15.015  112.797   22.945 4.658440 27.42160 
1 1 1   -3   25   14 o  103.779   10.385  194.555   37.903  171.596   53.315  218.016   53.896   97.463   15.477  110.095   13.851 -12.63291 20.76975 
1 1 1   -3   25   16 o   94.270   10.552  160.456   35.134  152.533   48.915  168.900   50.496   91.848   15.068   96.692   14.776 -4.844383 21.10349 
1 1 1   -3   25   18 o   86.469   11.993  142.611   35.552  181.597   49.418  100.787   51.185  100.257   13.946   72.682   19.514 27.57454 23.98529 
1 1 1   -3   25   20 o   76.419   12.314  111.891   32.562  123.243   45.151   99.589   47.005   80.734   16.383   72.103   18.387 8.630432 24.62724 
1 1 1   -3   25   22 o  168.395   10.916  519.937   64.939  505.898   90.194  535.047   93.573  166.065   15.367  170.725   15.507 -4.659760 21.83134 
1 1 1   -3   25   24 o  171.249   10.980  542.387   66.417  521.290   92.047  565.300   95.929  167.783   15.522  174.715   15.535 -6.932602 21.96018 
1 1 1   -3   25   26 o  122.840   10.669  279.797   46.185  254.465   62.802  309.633   68.157  116.764   15.218  128.917   14.958 -12.15275 21.33836 
1 1 1   -3   26    1 o   98.717   12.502  191.296   40.981  289.047   57.755   92.174   58.159  126.969   12.870   70.466   21.439 56.50267 25.00492 
1 1 1   -3   26    3 o  118.453   16.136  267.148   65.092  278.372   91.943  255.871   92.165  121.184   22.287  115.723   23.339 5.460999 32.27112 
1 1 1   -3   26    5 o  140.253   10.726  354.829   53.167  350.852   74.950  358.856   75.431  139.455   15.206  141.051   15.131 -1.596085 21.45133 
1 1 1   -3   26    7 o  156.481   13.228  446.275   68.917  445.221   84.434  448.379  119.290  157.041   15.212  155.921   21.646 1.120209 26.45662 
1 1 1   -3   26    9 o   79.803   15.119  121.577   43.529  127.309   61.877  115.961   61.247   81.599   21.246   78.007   21.516 3.591179 30.23797 
1 1 1   -3   26   11 o   64.325   13.956   76.566   34.762   75.729   49.248   77.396   49.074   64.048   19.772   64.603   19.702 -0.5553970 27.91210 
1 1 1   -3   26   13 o   91.533   13.567  162.574   41.065  139.115   70.167  174.795   50.644   84.782   22.884   98.283   14.579 -13.50064 27.13306 
1 1 1   -3   26   15 o   44.609   9.8998   33.593   19.202   55.213   26.157   8.3206   28.280   54.228   13.655   34.991   14.337 19.23702 19.79961 
1 1 1   -3   26   17 o  269.795   11.403  1334.16  108.734  1324.82  153.300  1343.61  154.250  268.841   16.133  270.750   16.119 -1.908966 22.80587 
1 1 1   -3   26   19 o   90.379   12.372  160.743   38.147  222.583   53.276   95.675   54.648  110.508   13.640   70.250   20.644 40.25811 24.74299 
1 1 1   -3   26   21 o  123.119   10.799  280.248   46.965  274.434   65.082  286.565   67.840  121.845   15.112  124.393   15.430 -2.547684 21.59816 
1 1 1   -3   26   23 o  113.832   11.093  242.933   44.506  250.193   61.386  234.888   64.621  115.906   14.985  111.758   16.360 4.147644 22.18501 
1 1 1   -3   27    2 o   93.302   13.273  163.387   40.843  160.857   69.926  164.697   50.318   91.251   21.949   95.352   14.930 -4.101280 26.54570 
1 1 1   -3   27    4 o  116.696   10.318  250.033   41.346  181.926   58.010  320.349   58.944   99.937   16.423  133.455   12.496 -33.51795 20.63688 
1 1 1   -3   27    6 f  103.414   10.524  194.325   38.243  169.359   53.676  220.063   54.500   96.499   15.738  110.330   13.976 -13.83144 21.04750 
1 1 1   -3   27    8 o  140.064   10.673  356.452   52.836  356.328   74.455  356.578   74.992  140.053   15.041  140.075   15.147 -0.2229309E-01 21.34646 
1 1 1   -3   27   10 o   54.356   10.682   55.106   21.396   46.294   29.760   64.536   30.785   50.239   15.347   58.473   14.864 -8.234676 21.36474 
1 1 1   -3   27   12 o  157.680   13.210  451.986   70.001  431.240   85.787  493.324  121.093  153.454   15.817  161.906   21.161 -8.452133 26.41905 
1 1 1   -3   27   14 o  109.119   13.630  224.144   48.446  219.459   59.373  233.478   83.799  109.357   15.361  108.881   22.519 0.4758453 27.25907 
1 1 1   -3   27   16 o  150.005   15.694  434.321   83.126  455.591  117.748  413.189  117.370  153.981   21.635  146.028   22.741 7.953354 31.38832 
1 1 1   -3   27   18 o   59.543   12.693   64.473   28.178   85.146   46.898   52.795   35.249   65.964   19.050   53.122   16.780 12.84142 25.38617 
1 1 1   -3   27   20 o   36.541   9.9797   17.400   18.172   15.337   27.973   18.907   23.902   36.724   14.532   36.359   13.682 0.3649826 19.95946 
1 1 1   -3   28    1 o  144.278   15.601  381.649   79.554   0.0000   0.0000  381.649   79.554  ?   ?   144.278   15.601      ?      ? 
1 1 1   -3   28    3 o  123.489   11.429  283.397   49.021  340.172   69.141  226.008   69.513  136.581   14.323  110.398   17.815 26.18246 22.85843 
1 1 1   -3   28    5 o   92.052   11.215  157.816   35.766  154.943   50.443  160.720   50.719   90.483   16.376   93.621   15.328 -3.137611 22.43001 
1 1 1   -3   28    7 o  158.589   10.615  461.583   59.415  432.943   83.816  490.510   84.237  153.469   15.452  163.709   14.558 -10.24019 21.22994 
1 1 1   -3   28    9 o  117.201   11.029  253.863   45.551  274.269   64.251  233.241   64.589  122.167   14.880  112.236   16.282 9.931168 22.05730 
1 1 1   -3   28   11 o   44.827   9.2450   35.941   16.201   21.293   22.165   52.748   23.741   36.885   13.296   52.769   12.849 -15.88355 18.49002 
1 1 1   -3   28   13 o  145.870   11.523  399.861   58.826  458.622   82.907  340.284   83.481  157.375   14.905  134.366   17.578 23.00929 23.04697 
1 1 1   -3   28   15 o   24.502   6.8512   4.9679   9.2643   11.723   12.213  -4.1858   14.217   27.525   9.8753   21.478   9.4993 6.047592 13.70245 
1 1 1   -3   28   17 o  139.988   17.004  403.425   82.238  415.932  114.890  390.284  117.766  143.914   22.587  136.062   25.423 7.852310 34.00770 
1 1 1   -3   29    2 o   68.199   14.659   91.604   38.471   90.355   54.606   92.836   54.209   67.795   20.802   68.603   20.659 -0.8080597 29.31733 
1 1 1   -3   29    4 o   54.810   9.8667   56.404   19.896   34.691   27.332   80.878   29.019   44.243   14.832   65.377   13.016 -21.13395 19.73345 
1 1 1   -3   29    6 o   44.979   9.5047   37.725   16.263   35.592   22.431   40.090   23.612   43.775   13.313   46.183   13.569 -2.407833 19.00949 
1 1 1   -3   29    8 o  124.451   10.778  289.305   47.270  263.336   66.485  315.850   67.220  118.520   15.871  130.382   14.587 -11.86232 21.55634 
1 1 1   -3   29   10 o   98.834   13.938  190.252   45.480  200.793   78.017  184.826   55.975   98.594   22.837   99.074   15.985 -0.4805527 27.87557 
1 1 1   -2    0    2 o   90.989   12.166  161.135   49.563  161.135   49.563  161.135   49.563   90.989   17.205   90.989   17.205 -0.000000 0.000000 
1 1 1   -2    0    4 o  1093.35   21.901 21215.48  1194.73 21215.48  1194.73 21215.48  1194.73  1093.35   30.973  1093.35   30.973 -0.000000 0.000000 
1 1 1   -2    0    6 o  1570.88   29.712 43867.23  2329.20 43867.23  2329.20 43867.23  2329.20  1570.88   42.019  1570.88   42.019 -0.000000 0.000000 
1 1 1   -2    0    8 o  2971.65   78.365 161765.41 11603.29 161765.41 11603.29 161765.41 11603.29  2971.65  110.825  2971.65  110.825 -0.000000 0.000000 
1 1 1   -2    0   16 o  198.305   16.196  723.519  154.969  723.519  154.969  723.519  154.969  198.305   22.905  198.305   22.905 -0.000000 0.000000 
1 1 1   -2    0   18 o  449.941   18.600  3621.27  415.045  3621.27  415.045  3621.27  415.045  449.941   26.304  449.941   26.304 -0.000000 0.000000 
1 1 1   -2    0   20 o  350.116   17.259  2201.27  298.674  2201.27  298.674  2201.27  298.674  350.116   24.409  350.116   24.409 -0.000000 0.000000 
1 1 1   -2    0   22 o  1324.29   36.575 31397.26  2412.67 31397.26  2412.67 31397.26  2412.67  1324.29   51.725  1324.29   51.725 -0.000000 0.000000 
1 1 1   -2    0   24 o  754.700   24.035 10171.67  902.496 10171.67  902.496 10171.67  902.496  754.700   33.991  754.700   33.991 -0.000000 0.000000 
1 1 1   -2    0   26 o   77.384   18.613  137.294   64.541  137.294   64.541  137.294   64.541   77.384   26.322   77.384   26.322 -0.000000 0.000000 
1 1 1   -2    0   28 o   90.292   18.763  177.338   73.578  177.338   73.578  177.338   73.578   90.292   26.535   90.292   26.535 -0.000000 0.000000 
1 1 1   -2    0   30 o  366.215   17.517  2419.20  317.286  2419.20  317.286  2419.20  317.286  366.215   24.773  366.215   24.773 -0.000000 0.000000 
1 1 1   -2    0   32 o  459.809   18.878  3817.34  430.522  3817.34  430.522  3817.34  430.522  459.809   26.697  459.809   26.697 -0.000000 0.000000 
1 1 1   -2    0   34 o  636.945   22.042  7362.99  697.918  7362.99  697.918  7362.99  697.918  636.945   31.172  636.945   31.172 -0.000000 0.000000 
1 1 1   -2    0   36 f  390.569   17.932  2770.57  346.686  2770.57  346.686  2770.57  346.686  390.569   25.359  390.569   25.359 -0.000000 0.000000 
1 1 1   -2    0   38 o  414.379   12.901  3078.84  266.038  3078.84  266.038  3078.84  266.038  414.379   18.245  414.379   18.245 -0.000000 0.000000 
1 1 1   -2    0   40 o  101.442   18.830  218.495   82.495  218.495   82.495  218.495   82.495  101.442   26.630  101.442   26.630 -0.000000 0.000000 
1 1 1   -2    0   42 f   63.454   18.217  100.833   56.634  100.833   56.634  100.833   56.634   63.454   25.763   63.454   25.763 -0.000000 0.000000 
1 1 1   -2    0   44 o  115.710   12.739  256.440   68.356  256.440   68.356  256.440   68.356  115.710   18.015  115.710   18.015 -0.000000 0.000000 
1 1 1   -2    1    1 o  1928.25   35.834 66336.30  2442.15 65967.28  3453.72 66705.33  3453.72  1922.84   50.819  1933.67   50.534 -10.82935 71.66754 
1 1 1   -2    1    3 o  1075.78   43.338 20598.88  1647.84 20598.88  1647.84   0.0000   0.0000  1075.78   43.338  ?   ?       ?      ? 
1 1 1   -2    1    5 o  239.734   15.668  1017.77  132.749  1033.42  187.738  1002.12  187.731  241.581   21.987  237.887   22.328 3.693848 31.33633 
1 1 1   -2    1    7 o  982.345   28.625 17188.85  993.882 17130.60  1405.57 17247.11  1405.55  980.667   40.552  984.023   40.413 -3.355957 57.25093 
1 1 1   -2    1    9 f  1962.13   53.124 70710.93  3675.88 65446.50  5198.49 75975.35  5198.48  1886.22   77.977  2038.04   72.168 -151.8215 106.2475 
1 1 1   -2    1   11 o  1255.14   49.849 28551.39  2211.39 28551.39  2211.39   0.0000   0.0000  1255.14   49.849  ?   ?       ?      ? 
1 1 1   -2    1   13 o  258.671   15.926  1189.33  145.570  1159.40  205.875  1219.26  205.859  255.397   22.807  261.944   22.235 -6.547379 31.85215 
1 1 1   -2    1   15 o  791.209   24.508 11179.47  684.595 11786.74  968.184 10572.25  968.143  812.924   33.697  769.495   35.597 43.42914 49.01651 
1 1 1   -2    1   19 o  537.677   17.472  5232.88  309.489  5437.05  379.050  4824.58  536.036  554.091   19.355  521.263   29.095 32.82782 34.94468 
1 1 1   -2    1   21 o  781.664   24.406 10873.92  674.272 10906.86  953.549 10840.97  953.582  782.856   34.462  780.471   34.569 2.384888 48.81204 
1 1 1   -2    1   23 f  1443.43   39.744 37644.96  2026.70 38923.62  2866.16 36366.28  2866.20  1468.49   55.222  1418.37   57.174 50.12744 79.48751 
1 1 1   -2    1   25 o  320.699   23.447  1826.41  265.768   0.0000   0.0000  1826.41  265.768  ?   ?   320.699   23.447      ?      ? 
1 1 1   -2    1   27 o  374.292   17.273  2493.68  228.499  2469.22  323.129  2518.14  323.165  372.443   24.547  376.140   24.308 -3.697144 34.54618 
1 1 1   -2    1   29 o  113.759   13.119  242.002   47.455  256.841   58.155  212.430   82.096  120.344   13.672  107.174   22.394 13.17001 26.23798 
1 1 1   -2    1   31 o  375.061   17.398  2529.51  230.622  2496.98  326.130  2562.05  326.166  372.607   24.764  377.514   24.445 -4.907898 34.79652 
1 1 1   -2    1   33 o  534.544   20.045  5201.37  378.609  5070.71  535.409  5332.06  535.458  527.628   28.710  541.459   27.979 -13.83148 40.08906 
1 1 1   -2    1   35 o  550.149   17.153  5536.03  312.580  5627.65  382.882  5352.94  541.259  559.610   19.358  540.688   28.323 18.92163 34.30624 
1 1 1   -2    1   37 o  474.567   16.486  4155.28  258.001  4283.66  316.052  3898.84  446.683  488.180   18.317  460.954   27.417 27.22626 32.97300 
1 1 1   -2    1   39 o  306.656   14.326  1699.89  146.328  1698.39  179.324  1702.87  253.140  307.636   16.492  305.677   23.430 1.959259 28.65263 
1 1 1   -2    1   41 o  443.422   16.279  3606.06  239.917  3617.05  293.928  3584.11  415.294  447.137   18.599  439.707   26.722 7.430481 32.55738 
1 1 1   -2    1   43 f  245.272   17.005  1125.21  145.344  920.423  205.822  1328.90  205.273  221.697   26.267  268.848   21.603 -47.15091 34.00933 
1 1 1   -2    2    2 o  932.281   27.514 15451.88  906.463 15128.44  1281.94 15775.31  1281.93  922.466   39.318  942.097   38.499 -19.63165 55.02814 
1 1 1   -2    2    4 o  442.250   18.210  3466.10  284.604  3525.99  402.499  3406.22  402.483  446.081   25.529  438.419   25.974 7.662018 36.41931 
1 1 1   -2    2    6 o  1408.38   54.351 35539.63  2705.50   0.0000   0.0000 35539.63  2705.50  ?   ?   1408.38   54.351      ?      ? 
1 1 1   -2    2    8 o  1343.94   29.816 31302.44  1352.15 35456.15  2342.04 29225.71  1656.02  1407.06   47.093  1280.83   36.581 126.2341 59.63184 
1 1 1   -2    2   10 o  690.341   22.429  8461.78  547.251   0.0000   0.0000  8461.78  547.251  ?   ?   690.341   22.429      ?      ? 
1 1 1   -2    2   12 o  268.377   13.679  1272.49  122.573  1296.34  212.327  1260.57  150.113  270.068   22.244  266.687   15.926 3.381500 27.35725 
1 1 1   -2    2   14 o  889.106   26.656 14062.03  837.647   0.0000   0.0000 14062.03  837.647  ?   ?   889.106   26.656      ?      ? 
1 1 1   -2    2   16 o  487.530   26.804  4220.40  461.876   0.0000   0.0000  4220.40  461.876  ?   ?   487.530   26.804      ?      ? 
1 1 1   -2    2   18 o  966.026   40.019 16641.72  1366.39 16641.72  1366.39   0.0000   0.0000  966.026   40.019  ?   ?       ?      ? 
1 1 1   -2    2   20 o  373.868   17.272  2478.63  228.224  2450.88  322.781  2506.37  322.734  371.768   24.565  375.967   24.287 -4.199615 34.54416 
1 1 1   -2    2   22 o  620.508   18.613  7013.59  379.249  7352.36  464.488  6336.08  656.866  644.134   20.402  596.882   31.136 47.25183 37.22535 
1 1 1   -2    2   24 o  385.685   15.018  2650.12  192.528  2673.77  235.802  2602.84  333.458  388.516   17.172  382.854   24.643 5.661835 30.03556 
1 1 1   -2    2   26 f  334.139   14.460  1989.35  160.643  2004.98  196.753  1958.11  278.225  336.360   16.550  331.918   23.716 4.441376 28.91986 
1 1 1   -2    2   28 o  265.585   13.638  1274.88  119.572  1316.02  146.458  1192.63  207.068  272.405   15.212  258.764   22.641 13.64084 27.27625 
1 1 1   -2    2   30 o  505.496   16.765  4568.11  282.489  4548.65  345.981  4607.04  489.274  505.021   19.383  505.971   27.359 -0.9499207 33.52967 
1 1 1   -2    2   32 o  474.823   16.447  4047.15  260.302  4027.26  318.809  4086.92  450.838  474.490   19.010  475.155   26.845 -0.6643677 32.89443 
1 1 1   -2    2   34 o  163.812   15.200  483.487   87.978  469.367  124.416  497.609  124.424  161.373   21.813  166.251   21.175 -4.877686 30.40074 
1 1 1   -2    2   36 o  401.261   17.282  2886.61  245.101  2886.61  245.101   0.0000   0.0000  401.261   17.282  ?   ?       ?      ? 
1 1 1   -2    2   38 o   59.462   15.268   65.654   32.254   65.654   32.254   0.0000   0.0000   59.462   15.268  ?   ?       ?      ? 
1 1 1   -2    2   40 o  136.932   21.713  341.277  105.084  341.277  105.084   0.0000   0.0000  136.932   21.713  ?   ?       ?      ? 
1 1 1   -2    2   42 o  305.479   16.183  1682.25  174.722  1682.25  174.722   0.0000   0.0000  305.479   16.183  ?   ?       ?      ? 
1 1 1   -2    3    1 o  329.600   16.629  1932.09  192.527  1685.95  272.250  2178.32  272.300  308.467   24.971  350.733   21.966 -42.26572 33.25748 
1 1 1   -2    3    3 f  476.580   16.214  3989.79  258.487  4125.18  447.772  3922.13  316.560  482.426   26.261  470.735   19.027 11.69052 32.42887 
1 1 1   -2    3    5 o  1452.19   34.156 38218.77  1639.20 36144.48  2839.23 39255.86  2007.58  1419.19   56.603  1485.18   38.245 -65.98547 68.31236 
1 1 1   -2    3    7 f  817.352   16.492 11871.66  474.778 13008.19  671.460 10735.28  671.415  856.691   22.176  778.013   24.417 78.67798 32.98369 
1 1 1   -2    3    9 o  759.549   20.752 10307.36  524.110 10168.88  907.771 10376.60  641.905  754.724   34.030  764.373   23.760 -9.649170 41.50430 
1 1 1   -2    3   11 o  414.166   12.466  3042.29  182.471  3077.48  258.057  3007.11  258.049  416.569   17.527  411.762   17.731 4.807556 24.93164 
1 1 1   -2    3   13 o  336.912   14.793  2047.54  164.593  1920.40  285.078  2111.11  201.587  328.664   24.541  345.160   16.524 -16.49585 29.58553 
1 1 1   -2    3   15 f  1046.30   26.118 19565.22  909.335 19432.48  1575.03 19631.59  1113.70  1041.94   42.769  1050.66   29.991 -8.723999 52.23617 
1 1 1   -2    3   17 f  255.949   15.804  1159.39  142.968   0.0000   0.0000  1159.39  142.968  ?   ?   255.949   15.804      ?      ? 
1 1 1   -2    3   21 o  1189.85   33.546 25384.16  1409.15 24001.22  1992.85 26767.07  1992.82  1156.97   48.734  1222.73   46.112 -65.76831 67.09219 
1 1 1   -2    3   23 o  642.635   19.349  7544.08  407.814  7933.05  499.470  6766.16  706.351  668.897   21.127  616.373   32.423 52.52386 38.69886 
1 1 1   -2    3   25 o  1024.05   30.066 18853.86  1088.00 19271.09  1538.60 18436.56  1538.72  1035.58   42.036  1012.52   42.997 23.05835 60.13110 
1 1 1   -2    3   27 o  868.595   26.309 13573.32  807.662 13454.46  1142.13 13692.21  1142.28  864.723   37.370  872.466   37.043 -7.742615 52.61808 
1 1 1   -2    3   29 o  260.192   22.557  1208.94  207.438  1208.94  207.438   0.0000   0.0000  260.192   22.557  ?   ?       ?      ? 
1 1 1   -2    3   31 o  486.551   27.112  4277.35  466.245  4277.35  466.245   0.0000   0.0000  486.551   27.112  ?   ?       ?      ? 
1 1 1   -2    3   33 o  117.265   22.266  255.445   88.908  255.445   88.908   0.0000   0.0000  117.265   22.266  ?   ?       ?      ? 
1 1 1   -2    3   35 o  301.228   23.415  1644.00  249.296   0.0000   0.0000  1644.00  249.296  ?   ?   301.228   23.415      ?      ? 
1 1 1   -2    3   37 o  172.645   21.661  539.521  132.174   0.0000   0.0000  539.521  132.174  ?   ?   172.645   21.661      ?      ? 
1 1 1   -2    3   39 o  220.277   22.279  882.630  173.455   0.0000   0.0000  882.630  173.455  ?   ?   220.277   22.279      ?      ? 
1 1 1   -2    3   41 o  212.735   22.274  827.666  167.482   0.0000   0.0000  827.666  167.482  ?   ?   212.735   22.274      ?      ? 
1 1 1   -2    3   43 o  238.942   22.771  1055.71  192.306   0.0000   0.0000  1055.71  192.306  ?   ?   238.942   22.771      ?      ? 
1 1 1   -2    3   45 o   66.843   20.175   84.011   51.657   0.0000   0.0000   84.011   51.657  ?   ?    66.843   20.175      ?      ? 
1 1 1   -2    4    2 o  941.976   20.278 15754.52  674.489 16539.67  953.875 14969.38  953.870  965.558   27.951  918.393   29.386 47.16473 40.55586 
1 1 1   -2    4    4 o  926.191   19.208 15221.18  628.667 15579.68  889.068 14862.68  889.071  937.143   26.842  915.240   27.484 21.90259 38.41679 
1 1 1   -2    4    6 o  729.469   16.784  9450.48  431.925  8789.38  610.823 10111.63  610.846  703.827   24.554  755.111   22.888 -51.28418 33.56726 
1 1 1   -2    4    8 o  1099.15   21.357 21529.38  829.689 21404.27  1173.37 21654.49  1173.35  1095.93   30.292  1102.37   30.115 -6.441040 42.71447 
1 1 1   -2    4   10 o  1240.33   23.090 27602.87  1007.41 30669.04  1424.74 24537.02  1424.66  1310.27   30.765  1170.39   34.440 139.8760 46.17971 
1 1 1   -2    4   12 o  506.782   16.705  4612.54  280.466  4706.54  343.515  4424.61  485.738  515.128   18.867  498.435   27.572 16.69336 33.40970 
1 1 1   -2    4   14 o   67.199   9.0594  103.809   19.751  142.247   24.242   27.904   34.066   89.698   7.6466   44.701   16.426 44.99691 18.11880 
1 1 1   -2    4   16 o  239.716   13.391  1071.95  103.664  1170.15  126.980  875.715  179.500  257.172   13.970  222.261   22.850 34.91051 26.78185 
1 1 1   -2    4   18 o  1029.73   25.177 18670.25  868.070 19497.72  1503.58 18256.55  1063.15  1045.55   40.688  1013.91   29.667 31.64447 50.35496 
1 1 1   -2    4   20 o  291.670   14.865  1580.08  140.434  1315.01  243.287  1712.54  171.980  272.269   25.281  311.072   15.642 -38.80307 29.72923 
1 1 1   -2    4   26 o  289.267   22.939  1487.69  234.524  1487.69  234.524   0.0000   0.0000  289.267   22.939  ?   ?       ?      ? 
1 1 1   -2    4   30 o  688.115   32.445  8607.62  789.084   0.0000   0.0000  8607.62  789.084  ?   ?   688.115   32.445      ?      ? 
1 1 1   -2    4   32 o  101.885   22.042  193.589   77.067   0.0000   0.0000  193.589   77.067  ?   ?   101.885   22.042      ?      ? 
1 1 1   -2    4   34 f  212.024   22.057  811.290  165.289   0.0000   0.0000  811.290  165.289  ?   ?   212.024   22.057      ?      ? 
1 1 1   -2    4   36 o  119.271   22.365  265.449   90.817   0.0000   0.0000  265.449   90.817  ?   ?   119.271   22.365      ?      ? 
1 1 1   -2    4   38 o  225.413   22.316  922.543  177.791   0.0000   0.0000  922.543  177.791  ?   ?   225.413   22.316      ?      ? 
1 1 1   -2    4   40 o  133.843   21.418  326.121  101.322   0.0000   0.0000  326.121  101.322  ?   ?   133.843   21.418      ?      ? 
1 1 1   -2    4   42 o  183.298   21.975  616.982  142.365   0.0000   0.0000  616.982  142.365  ?   ?   183.298   21.975      ?      ? 
1 1 1   -2    4   44 o  205.400   22.406  785.459  162.661   0.0000   0.0000  785.459  162.661  ?   ?   205.400   22.406      ?      ? 
1 1 1   -2    4   46 o  114.726   23.050  258.913   90.221   0.0000   0.0000  258.913   90.221  ?   ?   114.726   23.050      ?      ? 
1 1 1   -2    5    1 o  638.816   15.567  7237.60  351.189  7577.85  496.653  6897.34  496.658  653.885   21.490  623.746   22.528 30.13940 31.13417 
1 1 1   -2    5    3 o  438.424   12.989  3405.05  201.223  3322.22  284.558  3487.90  284.587  433.078   18.590  443.770   18.144 -10.69189 25.97705 
1 1 1   -2    5    5 f  943.561   19.878 15842.21  662.246 15025.64  936.532 16658.88  936.583  919.075   28.830  968.048   27.373 -48.97308 39.75551 
1 1 1   -2    5    7 o  327.297   11.592  1898.55  134.066  1847.36  189.582  1949.75  189.614  322.871   16.613  331.722   16.172 -8.850708 23.18489 
1 1 1   -2    5    9 o  722.899   16.084  9322.17  408.794  8227.67  578.088 10416.94  578.157  680.057   24.051  765.741   21.362 -85.68390 32.16793 
1 1 1   -2    5   11 o  895.145   23.174 14532.83  685.118 13679.88  1186.61 14959.37  839.112  873.337   38.442  916.954   25.891 -43.61731 46.34805 
1 1 1   -2    5   13 o  664.423   15.617  7830.83  366.690  7687.65  518.576  7974.00  518.579  658.326   22.287  670.520   21.882 -12.19366 31.23334 
1 1 1   -2    5   15 f  740.793   33.342  9763.25  872.988   0.0000   0.0000  9763.25  872.988  ?   ?   740.793   33.342      ?      ? 
1 1 1   -2    5   17 o  417.910   25.275  3097.49  373.324  3097.49  373.324   0.0000   0.0000  417.910   25.275  ?   ?       ?      ? 
1 1 1   -2    5   19 o  1241.07   48.876 27597.50  2143.96 27597.50  2143.96   0.0000   0.0000  1241.07   48.876  ?   ?       ?      ? 
1 1 1   -2    5   21 o  372.528   17.181  2462.80  226.147  2536.61  319.853  2389.02  319.789  378.133   23.932  366.924   24.659 11.20898 34.36279 
1 1 1   -2    5   23 o  1100.62   25.836 21420.81  951.698 20973.11  1165.58 22316.23  1648.41  1085.35   30.384  1115.88   41.795 -30.52917 51.67265 
1 1 1   -2    5   25 o  857.649   21.257 13032.50  609.249 12850.73  746.161 13396.08  1055.29  850.011   24.836  865.287   34.506 -15.27655 42.51451 
1 1 1   -2    5   27 o  378.685   17.355  2558.08  232.260  2603.02  328.500  2513.16  328.429  382.042   24.328  375.329   24.758 6.713623 34.71006 
1 1 1   -2    5   29 o  423.631   25.605  3222.02  383.388   0.0000   0.0000  3222.02  383.388  ?   ?   423.631   25.605      ?      ? 
1 1 1   -2    5   31 o  259.245   22.644  1208.04  207.481   0.0000   0.0000  1208.04  207.481  ?   ?   259.245   22.644      ?      ? 
1 1 1   -2    5   33 o   74.528   20.538  102.956   55.836   0.0000   0.0000  102.956   55.836  ?   ?    74.528   20.538      ?      ? 
1 1 1   -2    5   35 o  163.464   21.540  482.709  124.447   0.0000   0.0000  482.709  124.447  ?   ?   163.464   21.540      ?      ? 
1 1 1   -2    5   37 f  242.426   22.540  1066.68  193.130   0.0000   0.0000  1066.68  193.130  ?   ?   242.426   22.540      ?      ? 
1 1 1   -2    5   39 o   51.148   17.250   44.115   36.970   0.0000   0.0000   44.115   36.970  ?   ?    51.148   17.250      ?      ? 
1 1 1   -2    5   41 o  140.984   21.541  363.337  107.340   0.0000   0.0000  363.337  107.340  ?   ?   140.984   21.541      ?      ? 
1 1 1   -2    5   43 o  171.378   21.935  542.928  132.866   0.0000   0.0000  542.928  132.866  ?   ?   171.378   21.935      ?      ? 
1 1 1   -2    5   45 o  145.566   21.891  398.475  112.627   0.0000   0.0000  398.475  112.627  ?   ?   145.566   21.891      ?      ? 
1 1 1   -2    6    2 f  298.092   11.610  1574.34  122.319  1591.25  172.977  1557.42  172.993  299.698   16.330  296.487   16.508 3.211243 23.22050 
1 1 1   -2    6    4 o  246.370   11.071  1075.36   96.398  1089.71  136.318  1061.01  136.337  248.018   15.551  244.721   15.762 3.296555 22.14213 
1 1 1   -2    6    6 o  585.635   14.570  6090.15  301.570  6131.54  426.463  6048.74  426.505  587.635   20.533  583.635   20.676 4.000366 29.13926 
1 1 1   -2    6    8 o  770.630   17.156 10565.34  467.290 10493.85  660.820 10636.85  660.876  768.006   24.344  773.255   24.181 -5.249695 34.31291 
1 1 1   -2    6   10 o  562.369   18.090  5841.79  331.440  5033.04  573.990  6246.33  405.957  531.285   30.567  593.453   19.354 -62.16827 36.17927 
1 1 1   -2    6   12 o  599.858   19.770  6465.30  412.118  5113.98  582.679  7817.94  582.965  536.091   30.752  663.625   24.854 -127.5342 39.53991 
1 1 1   -2    6   16 o  1052.04   24.873 19311.30  879.567 18504.63  1077.21 20924.96  1523.55  1020.73   29.859  1083.34   39.790 -62.61334 49.74691 
1 1 1   -2    6   18 o  342.097   11.803  2071.59  142.700  2097.19  201.785  2045.97  201.831  344.215   16.586  339.978   16.796 4.236603 23.60532 
1 1 1   -2    6   20 o  422.498   17.332  3177.77  257.474  2805.65  364.026  3550.29  364.221  397.565   25.906  447.430   23.031 -49.86490 34.66373 
1 1 1   -2    6   22 o  1004.11   20.222 17933.08  717.672 18063.59  1014.93 17802.57  1014.95  1007.79   28.493  1000.44   28.704 7.355103 40.44470 
1 1 1   -2    6   24 o  368.558   14.203  2411.70  174.326  2414.86  213.497  2405.38  301.961  369.168   16.362  367.948   23.219 1.220032 28.40512 
1 1 1   -2    6   26 o  522.659   15.939  4765.14  280.058  4561.06  342.980  5173.44  485.132  506.719   19.151  538.598   25.484 -31.87854 31.87790 
1 1 1   -2    6   28 o  209.071   15.579  781.372  114.976  736.500  162.628  826.214  162.573  203.000   22.666  215.142   21.380 -12.14149 31.15849 
1 1 1   -2    6   30 o  305.406   16.468  1677.04  177.643  1745.91  251.266  1608.21  251.183  311.783   22.801  299.029   23.766 12.75461 32.93521 
1 1 1   -2    6   32 o  177.156   21.626  564.779  135.412   0.0000   0.0000  564.779  135.412  ?   ?   177.156   21.626      ?      ? 
1 1 1   -2    6   34 o   85.605   21.429  137.339   64.684   0.0000   0.0000  137.339   64.684  ?   ?    85.605   21.429      ?      ? 
1 1 1   -2    6   36 o  367.563   24.722  2463.00  321.166   0.0000   0.0000  2463.00  321.166  ?   ?   367.563   24.722      ?      ? 
1 1 1   -2    6   38 o  206.105   22.091  772.192  160.925   0.0000   0.0000  772.192  160.925  ?   ?   206.105   22.091      ?      ? 
1 1 1   -2    6   40 o  167.439   21.751  511.775  128.725   0.0000   0.0000  511.775  128.725  ?   ?   167.439   21.751      ?      ? 
1 1 1   -2    6   42 o  178.001   21.962  583.625  138.172   0.0000   0.0000  583.625  138.172  ?   ?   178.001   21.962      ?      ? 
1 1 1   -2    6   44 o  110.905   22.743  237.783   86.158   0.0000   0.0000  237.783   86.158  ?   ?   110.905   22.743      ?      ? 
1 1 1   -2    6   46 o   96.083   22.661  184.141   75.707   0.0000   0.0000  184.141   75.707  ?   ?    96.083   22.661      ?      ? 
1 1 1   -2    7    1 o  242.328   11.196  1040.75   95.894  1038.59  135.606  1042.91  135.623  242.076   15.849  242.580   15.818 -0.5043182 22.39222 
1 1 1   -2    7    3 o  459.946   16.026  3751.54  245.856  3788.74  425.800  3732.93  301.124  461.207   26.121  458.686   18.574 2.520874 32.05160 
1 1 1   -2    7    5 o  997.305   25.369 17842.31  842.229 17810.38  1458.75 17858.28  1031.53  994.195   41.513  1000.42   29.173 -6.220886 50.73884 
1 1 1   -2    7    7 o  101.040   15.505  188.305   53.782  189.168   75.978  187.437   76.142  101.282   21.865  100.798   21.991 0.4843445 31.01081 
1 1 1   -2    7    9 o  539.365   19.891  5176.12  379.183  5216.99  536.150  5135.21  536.341  541.511   28.013  537.220   28.247 4.291382 39.78196 
1 1 1   -2    7   11 o  136.408   14.726  355.780   62.554  392.151   76.568  282.784  108.472  148.856   14.553  123.960   25.606 24.89663 29.45240 
1 1 1   -2    7   13 o  651.943   18.642  7589.38  403.597  7401.49  698.971  7683.36  494.331  645.386   30.642  658.500   21.239 -13.11353 37.28342 
1 1 1   -2    7   15 o  854.264   17.180 12977.82  516.356 11554.70  730.165 14401.51  730.310  807.121   25.595  901.406   22.923 -94.28552 34.35953 
1 1 1   -2    7   17 o  909.828   27.105 14753.63  871.548 14534.55  1232.57 14972.70  1232.54  903.016   38.618  916.641   38.044 -13.62524 54.20982 
1 1 1   -2    7   19 o  764.884   16.844 10379.39  455.242 10103.96  643.765 10654.90  643.854  754.695   24.134  775.074   23.503 -20.37872 33.68767 
1 1 1   -2    7   21 o  1151.81   32.450 23830.81  1320.97 23532.22  1868.06 24129.46  1868.22  1144.48   46.181  1159.15   45.600 -14.66907 64.90053 
1 1 1   -2    7   23 o  891.289   22.718 14093.28  676.417 13917.04  828.422 14445.82  1171.63  884.398   26.502  898.180   36.907 -13.78259 45.43669 
1 1 1   -2    7   25 o  915.195   19.183 14946.69  620.491 14774.20  877.484 15119.21  877.530  909.862   27.286  920.528   26.972 -10.66534 38.36665 
1 1 1   -2    7   27 o  416.454   14.536  3049.01  202.938  3224.28  351.591  2961.44  248.515  424.778   23.418  408.131   17.228 16.64713 29.07267 
1 1 1   -2    7   29 f  185.405   15.531  617.999  101.302  550.293  143.288  685.656  143.237  175.076   23.156  195.734   20.705 -20.65753 31.06246 
1 1 1   -2    7   31 o  415.976   18.148  3133.92  266.715  3035.08  377.222  3232.72  377.162  409.254   26.079  422.698   25.245 -13.44418 36.29615 
1 1 1   -2    7   33 o  517.104   28.103  4892.35  513.633   0.0000   0.0000  4892.35  513.633  ?   ?   517.104   28.103      ?      ? 
1 1 1   -2    7   35 o  418.689   25.807  3202.10  381.898   0.0000   0.0000  3202.10  381.898  ?   ?   418.689   25.807      ?      ? 
1 1 1   -2    7   37 o  149.598   21.461  405.641  113.475   0.0000   0.0000  405.641  113.475  ?   ?   149.598   21.461      ?      ? 
1 1 1   -2    7   39 o  133.922   21.425  326.611  101.415   0.0000   0.0000  326.611  101.415  ?   ?   133.922   21.425      ?      ? 
1 1 1   -2    7   41 o  144.640   21.605  383.840  110.450   0.0000   0.0000  383.840  110.450  ?   ?   144.640   21.605      ?      ? 
1 1 1   -2    7   43 o  140.929   21.725  368.700  108.211   0.0000   0.0000  368.700  108.211  ?   ?   140.929   21.725      ?      ? 
1 1 1   -2    7   45 o  100.277   22.665  198.303   78.439   0.0000   0.0000  198.303   78.439  ?   ?   100.277   22.665      ?      ? 
1 1 1   -2    7   47 o   47.446   16.757   38.506   35.034   0.0000   0.0000   38.506   35.034  ?   ?    47.446   16.757      ?      ? 
1 1 1   -2    8    2 o  540.944   28.133  5212.62  537.879   0.0000   0.0000  5212.62  537.879  ?   ?   540.944   28.133      ?      ? 
1 1 1   -2    8    4 f  926.603   27.356 15399.76  895.423 14810.60  1266.24 15989.06  1266.40  908.612   39.429  944.594   37.932 -35.98175 54.71283 
1 1 1   -2    8    6 o  587.248   17.990  6145.68  351.408  6179.70  430.353  6077.61  608.747  590.255   20.628  584.242   29.480 6.012878 35.98034 
1 1 1   -2    8    8 o   51.512   9.6794   48.610   17.930   50.162   25.321   47.049   25.393   52.278   13.581   50.746   13.795 1.531521 19.35873 
1 1 1   -2    8   10 o  262.059   11.293  1215.62  104.595  1227.11  147.889  1204.12  147.951  263.300   15.892  260.817   16.050 2.482697 22.58602 
1 1 1   -2    8   12 o  332.063   12.080  1955.08  141.436  2111.11  199.992  1798.97  200.051  345.361   16.384  318.766   17.756 26.59528 24.16016 
1 1 1   -2    8   14 o  507.264   16.387  4532.33  277.803  4474.04  340.234  4648.91  481.179  502.643   19.151  511.885   26.596 -9.242218 32.77365 
1 1 1   -2    8   16 o  578.949   17.593  5952.09  339.127  5966.70  415.341  5922.86  587.393  580.368   20.248  577.530   28.776 2.837891 35.18595 
1 1 1   -2    8   18 o  556.376   13.945  5486.34  274.096  5286.52  387.550  5686.32  387.711  546.210   20.075  566.541   19.362 -20.33051 27.89067 
1 1 1   -2    8   20 f  1055.42   26.344 19925.85  925.264 19981.37  1133.20 19814.79  1602.63  1059.55   30.260  1051.29   43.131 8.262207 52.68718 
1 1 1   -2    8   22 o  752.393   16.661 10058.10  443.048 10149.12  626.513  9967.05  626.616  755.817   23.453  748.969   23.671 6.847290 33.32190 
1 1 1   -2    8   24 o  1006.94   25.506 18391.52  850.616 17704.38  1473.30 18735.11  1041.79  989.689   42.118  1024.20   28.779 -34.50720 51.01169 
1 1 1   -2    8   26 f  264.046   10.914  1238.04  101.822  1199.77  143.950  1276.36  144.045  259.943   15.668  268.149   15.199 -8.206329 21.82848 
1 1 1   -2    8   28 o  107.010   11.190  209.107   40.492  254.199   57.262  164.007   57.267  119.622   13.543   94.397   17.817 25.22572 22.38050 
1 1 1   -2    8   30 o  508.908   19.748  4710.55  354.593  4401.03  501.494  5020.00  501.447  491.701   28.857  526.115   26.966 -34.41360 39.49543 
1 1 1   -2    8   32 o  396.140   17.796  2850.16  249.094  2930.60  352.325  2769.77  352.219  401.882   24.804  390.399   25.526 11.48303 35.59252 
1 1 1   -2    8   34 o  352.641   17.320  2264.31  215.625  2141.74  304.958  2386.85  304.920  342.807   25.169  362.475   23.801 -19.66705 34.64044 
1 1 1   -2    8   36 o  101.356   22.148  193.243   77.125   0.0000   0.0000  193.243   77.125  ?   ?   101.356   22.148      ?      ? 
1 1 1   -2    8   38 o   98.421   22.122  183.115   75.082   0.0000   0.0000  183.115   75.082  ?   ?    98.421   22.122      ?      ? 
1 1 1   -2    8   40 o  207.472   22.241  789.480  163.096   0.0000   0.0000  789.480  163.096  ?   ?   207.472   22.241      ?      ? 
1 1 1   -2    8   42 o  159.764   21.847  472.367  123.362   0.0000   0.0000  472.367  123.362  ?   ?   159.764   21.847      ?      ? 
1 1 1   -2    8   44 o   75.016   21.063  108.752   58.140   0.0000   0.0000  108.752   58.140  ?   ?    75.016   21.063      ?      ? 
1 1 1   -2    9    1 o  261.617   15.892  1211.93  146.947  1211.93  146.947   0.0000   0.0000  261.617   15.892  ?   ?       ?      ? 
1 1 1   -2    9    3 o  862.067   26.119 13266.67  795.818 13208.40  1125.46 13324.93  1125.45  860.155   37.020  863.979   36.855 -3.824768 52.23792 
1 1 1   -2    9    5 o  438.498   18.204  3414.37  282.040  3314.59  398.868  3514.14  398.862  432.060   26.119  444.936   25.363 -12.87537 36.40775 
1 1 1   -2    9    7 o  541.378   17.214  5233.88  309.415  5096.38  535.872  5302.65  378.971  535.650   28.305  547.106   19.598 -11.45532 34.42744 
1 1 1   -2    9    9 o  435.052   15.783  3369.75  228.245  3399.88  279.543  3309.51  395.328  438.201   18.049  431.904   25.897 6.296936 31.56621 
1 1 1   -2    9   11 o  347.991   11.854  2143.61  145.785  2104.05  206.129  2183.20  206.214  344.773   16.916  351.208   16.612 -6.434998 23.70882 
1 1 1   -2    9   13 o  930.266   23.653 15351.34  733.881 15274.06  898.812 15505.90  1271.13  927.718   27.412  932.814   38.555 -5.095520 47.30587 
1 1 1   -2    9   15 o  626.035   14.849  6945.61  328.474  6750.03  464.458  7141.32  464.606  617.193   21.291  634.877   20.705 -17.68378 29.69887 
1 1 1   -2    9   17 o  319.921   11.432  1812.36  129.210  1751.36  182.604  1873.54  182.856  314.519   16.426  325.323   15.903 -10.80438 22.86324 
1 1 1   -2    9   19 o  851.192   18.173 12870.78  546.730 12839.61  773.113 12901.97  773.273  850.156   25.729  852.228   25.672 -2.071777 36.34597 
1 1 1   -2    9   21 o  943.297   23.627 15822.33  743.869 15673.53  910.958 16120.12  1288.68  938.316   27.468  948.279   38.449 -9.962891 47.25302 
1 1 1   -2    9   23 o  440.661   15.655  3463.80  229.437  3484.89  280.994  3421.60  397.421  443.154   17.940  438.169   25.662 4.984589 31.31095 
1 1 1   -2    9   25 o  515.557   13.855  4731.97  252.428  4830.67  356.923  4633.20  357.049  520.977   19.384  510.138   19.803 10.83853 27.71042 
1 1 1   -2    9   27 o  285.203   16.309  1458.85  164.367  1425.38  232.484  1492.30  232.415  281.884   23.335  288.523   22.791 -6.639709 32.61808 
1 1 1   -2    9   29 o  287.381   16.400  1487.92  166.463  1424.41  235.443  1551.39  235.386  281.129   23.695  293.632   22.681 -12.50269 32.80047 
1 1 1   -2    9   31 o  618.312   21.843  7032.00  477.227  6849.71  674.936  7214.27  674.867  609.970   31.306  626.654   30.470 -16.68414 43.68645 
1 1 1   -2    9   33 o  176.882   15.488  566.891   96.525  516.380  136.539  617.356  136.476  168.805   22.885  184.958   20.877 -16.15352 30.97673 
1 1 1   -2    9   35 o  348.276   17.183  2212.09  211.368  2306.09  298.967  2118.15  298.872  355.909   23.766  340.644   24.824 15.26486 34.36647 
1 1 1   -2    9   37 o  203.605   15.643  754.964  112.553  739.074  159.210  770.839  159.137  201.396   22.367  205.813   21.877 -4.416916 31.28655 
1 1 1   -2    9   39 o  142.527   21.544  371.203  108.529   0.0000   0.0000  371.203  108.529  ?   ?   142.527   21.544      ?      ? 
1 1 1   -2   10    2 o  462.762   13.172  3793.03  215.402  3882.78  304.615  3703.28  304.633  468.249   18.406  457.274   18.849 10.97473 26.34472 
1 1 1   -2   10    4 o  620.292   15.018  6817.93  329.255  6774.73  465.616  6861.14  465.658  618.322   21.306  622.263   21.173 -3.940979 30.03672 
1 1 1   -2   10    6 o  502.809   16.646  4486.97  278.711  4496.54  341.352  4467.84  482.737  503.886   19.167  501.733   27.222 2.152924 33.29263 
1 1 1   -2   10    8 o  383.187   17.373  2603.70  235.288  2624.26  332.757  2583.15  332.737  384.704   24.473  381.669   24.666 3.035706 34.74631 
1 1 1   -2   10   10 o  672.843   22.224  8045.21  528.476  8155.96  747.398  7934.47  747.359  677.500   31.212  668.187   31.645 9.313660 44.44802 
1 1 1   -2   10   12 o  2147.87   57.384 84618.89  4355.95 85853.68  6160.26 83384.13  6160.21  2164.13   80.537  2131.60   81.765 32.52979 114.7684 
1 1 1   -2   10   14 o  379.423   12.383  2550.77  165.896  2683.88  234.567  2417.55  234.658  389.353   17.045  369.493   17.968 19.86041 24.76698 
1 1 1   -2   10   16 o  527.868   14.095  4940.24  262.795  5149.52  371.579  4730.80  371.718  539.090   19.502  516.646   20.356 22.44379 28.19031 
1 1 1   -2   10   18 o  1356.74   26.196 32891.55  1256.18 32838.75  1776.41 32944.37  1776.60  1355.64   37.075  1357.84   37.019 -2.200928 52.39213 
1 1 1   -2   10   20 o  394.143   12.304  2753.63  171.406  2764.86  242.249  2742.37  242.560  394.951   17.354  393.336   17.448 1.615723 24.60845 
1 1 1   -2   10   22 o  268.113   22.630  1278.94  214.450  1278.94  214.450   0.0000   0.0000  268.113   22.630  ?   ?       ?      ? 
1 1 1   -2   10   24 o  769.011   16.951 10567.78  460.615 10287.90  651.298 10847.86  651.518  758.711   24.288  779.311   23.653 -20.59912 33.90237 
1 1 1   -2   10   26 o  268.444   13.530  1270.51  121.682  1237.74  149.025  1336.05  210.772  263.720   15.988  273.167   21.831 -9.447205 27.05904 
1 1 1   -2   10   28 o  318.593   11.684  1811.41  131.501  1746.38  185.875  1876.58  186.067  312.814   16.812  324.373   16.230 -11.55890 23.36739 
1 1 1   -2   10   30 o  243.047   10.724  1056.72   91.730  944.257  129.566  1169.73  129.885  229.927   15.943  256.168   14.345 -26.24138 21.44725 
1 1 1   -2   10   32 f  242.885   13.983  1063.47  112.978  1057.84  195.667  1066.29  138.376  241.637   22.911  244.134   16.037 -2.497055 27.96538 
1 1 1   -2   10   38 o   97.363   22.172  179.842   74.592  179.842   74.592   0.0000   0.0000   97.363   22.172  ?   ?       ?      ? 
1 1 1   -2   10   42 o  111.325   22.771  239.610   86.578   0.0000   0.0000  239.610   86.578  ?   ?   111.325   22.771      ?      ? 
1 1 1   -2   10   44 o   90.114   22.372  161.612   70.927   0.0000   0.0000  161.612   70.927  ?   ?    90.114   22.372      ?      ? 
1 1 1   -2   10   46 o  137.676   22.539  378.236  109.676   0.0000   0.0000  378.236  109.676  ?   ?   137.676   22.539      ?      ? 
1 1 1   -2   11    1 o  642.354   15.333  7311.38  348.090  7394.56  492.259  7228.19  492.289  646.018   21.559  638.690   21.808 7.327881 30.66538 
1 1 1   -2   11    3 o  662.279   15.606  7774.81  365.137  8047.67  516.371  7501.94  516.393  673.936   21.678  650.622   22.456 23.31415 31.21238 
1 1 1   -2   11    5 o  866.918   18.229 13335.55  558.241 12832.70  789.436 13838.50  789.507  850.506   26.261  883.331   25.288 -32.82544 36.45741 
1 1 1   -2   11    7 o  613.468   14.917  6667.54  323.431  6722.29  457.374  6612.79  457.427  615.993   21.008  610.943   21.184 5.049927 29.83395 
1 1 1   -2   11    9 o  570.445   14.075  5766.95  283.530  5490.49  400.924  6043.54  401.019  556.730   20.375  584.160   19.423 -27.43018 28.14936 
1 1 1   -2   11   11 o  607.553   20.985  6559.65  450.440  6776.33  637.046  6343.02  636.992  617.642   29.182  597.464   30.165 20.17841 41.97028 
1 1 1   -2   11   13 o  1068.89   30.656 20444.71  1158.13 20253.29  1637.86 20636.12  1637.82  1063.83   43.560  1073.96   43.148 -10.13367 61.31225 
1 1 1   -2   11   15 f  696.287   22.689  8635.21  558.233  8855.62  789.494  8414.83  789.427  705.242   31.673  687.332   32.496 17.91058 45.37786 
1 1 1   -2   11   17 f  871.859   22.677 13641.27  656.264 13289.45  1136.56 13817.24  803.799  862.015   37.304  881.702   25.793 -19.68665 45.35299 
1 1 1   -2   11   19 o  984.447   20.517 17282.40  713.502 17912.08  1008.96 16652.50  1009.13  1002.55   28.474  966.346   29.546 36.20190 41.03309 
1 1 1   -2   11   21 o  251.660   13.316  1112.86  112.216  1088.41  137.438  1161.77  194.360  247.745   15.696  255.574   21.516 -7.829300 26.63289 
1 1 1   -2   11   23 o  532.035   17.043  5196.83  297.494  4676.79  514.894  5457.42  364.490  510.281   28.549  553.789   18.622 -43.50812 34.08527 
1 1 1   -2   11   25 o  587.349   18.380  6247.17  358.247  6316.93  438.749  6107.63  620.535  594.236   20.890  580.463   30.246 13.77307 36.75901 
1 1 1   -2   11   27 o  333.152   14.607  2006.08  161.468  1945.34  279.293  2036.58  197.890  328.458   24.058  337.846   16.572 -9.388733 29.21359 
1 1 1   -2   11   29 o  228.856   15.114  944.213  121.902  856.369  171.292  1034.36  173.520  217.882   22.243  239.830   20.470 -21.94801 30.22896 
1 1 1   -2   11   31 o  223.517   22.227  903.727  175.593  903.727  175.593   0.0000   0.0000  223.517   22.227  ?   ?       ?      ? 
1 1 1   -2   11   33 o   93.250   16.281  165.079   55.190  225.317   77.563  103.304   78.546  109.989   20.712   76.512   25.126 33.47678 32.56219 
1 1 1   -2   11   35 o  248.982   16.160  1130.81  141.979  1059.64  200.838  1201.92  200.740  240.896   23.588  257.068   22.094 -16.17116 32.31921 
1 1 1   -2   11   37 o   54.515   12.663   51.617   28.233   54.824   40.048   48.447   39.809   55.709   17.916   53.320   17.900 2.388988 25.32585 
1 1 1   -2   11   39 o  124.121   15.340  289.254   65.120  340.214   92.401  238.967   91.789  136.615   19.136  111.627   23.980 24.98848 30.67956 
1 1 1   -2   11   41 o  140.888   15.372  369.707   76.414  393.970  108.163  345.531  107.968  145.745   20.997  136.031   22.456 9.714096 30.74371 
1 1 1   -2   11   43 o  161.591   22.245  498.428  127.048   0.0000   0.0000  498.428  127.048  ?   ?   161.591   22.245      ?      ? 
1 1 1   -2   11   45 o  119.905   23.574  294.287   96.343   0.0000   0.0000  294.287   96.343  ?   ?   119.905   23.574      ?      ? 
1 1 1   -2   12    2 o  869.808   18.513 13422.86  569.102 13596.66  804.814 13249.05  804.849  875.461   26.010  864.154   26.351 11.30695 37.02576 
1 1 1   -2   12    4 o  500.357   13.566  4434.98  239.807  4584.43  339.123  4285.50  339.153  508.808   18.857  491.905   19.507 16.90286 27.13179 
1 1 1   -2   12    6 o  543.942   14.091  5242.62  270.776  5430.08  382.918  5055.13  382.952  553.694   19.567  534.191   20.283 19.50299 28.18234 
1 1 1   -2   12    8 o  392.051   12.445  2722.42  172.361  2824.41  243.739  2620.41  243.772  399.413   17.266  384.690   17.929 14.72266 24.89072 
1 1 1   -2   12   10 f  186.799   13.109  613.616   81.897  631.706  141.785  604.558  100.326  188.783   21.249  184.814   15.359 3.969376 26.21879 
1 1 1   -2   12   12 o  496.256   13.438  4363.36  235.705  4353.79  333.288  4372.94  333.386  495.710   19.023  496.802   18.986 -1.091949 26.87654 
1 1 1   -2   12   14 o  1278.05   25.054 29159.51  1131.58 29742.29  1600.24 28576.64  1600.36  1290.95   35.071  1265.15   35.790 25.80579 50.10887 
1 1 1   -2   12   16 f  523.847   17.045  4891.42  296.971  4921.28  363.711  4831.67  514.378  526.749   19.536  520.944   27.936 5.805359 34.08949 
1 1 1   -2   12   18 o  197.172   15.336  690.760  106.869  699.072  151.171  682.455  151.100  198.364   21.562  195.980   21.814 2.383942 30.67186 
1 1 1   -2   12   20 o  556.907   20.141  5551.95  396.085  5821.24  560.209  5282.77  560.088  570.585   27.779  543.230   29.171 27.35461 40.28152 
1 1 1   -2   12   22 o  538.449   19.030  5229.36  359.230  4470.28  507.591  5991.06  508.465  498.501   28.809  578.397   24.872 -79.89594 38.06025 
1 1 1   -2   12   24 o  155.079   16.970  441.214   89.937  503.644  126.268  376.926  128.133  167.711   21.302  142.448   26.423 25.26340 33.93988 
1 1 1   -2   12   26 o   99.112   21.950  183.299   74.863  183.299   74.863   0.0000   0.0000   99.112   21.950  ?   ?       ?      ? 
1 1 1   -2   12   28 o  190.774   21.823  656.123  147.146  656.123  147.146   0.0000   0.0000  190.774   21.823  ?   ?       ?      ? 
1 1 1   -2   12   30 o  491.997   16.458  4327.10  271.307  4199.06  332.256  4583.29  469.994  483.098   19.459  500.896   26.548 -17.79755 32.91534 
1 1 1   -2   12   32 o  117.112   14.800  245.162   61.260  245.162   61.260   0.0000   0.0000  117.112   14.800  ?   ?       ?      ? 
1 1 1   -2   12   34 o  106.825   13.362  212.376   46.033  218.005   56.383  201.123   79.718  110.389   14.451  103.261   22.480 7.127350 26.72418 
1 1 1   -2   12   36 o   50.326   11.460   40.738   22.421   59.373   38.324   31.040   27.647   57.195   17.403   43.457   14.915 13.73809 22.92010 
1 1 1   -2   12   38 o  226.125   16.006  943.684  127.661  876.676  180.555  1010.67  180.525  217.742   23.461  234.509   21.780 -16.76701 32.01237 
1 1 1   -2   12   40 o  158.956   15.498  469.779   87.072  473.402  123.262  466.171  123.014  159.592   21.852  158.321   21.983 1.270340 30.99677 
1 1 1   -2   12   42 o   46.448   10.965   35.231   22.080   54.510   31.866   17.425   30.624   53.937   15.739   38.959   15.271 14.97816 21.93037 
1 1 1   -2   12   44 o  129.724   23.565  341.333  104.068   0.0000   0.0000  341.333  104.068  ?   ?   129.724   23.565      ?      ? 
1 1 1   -2   13    1 o  869.584   18.489 13421.10  568.260 13521.26  803.623 13320.92  803.659  872.844   26.049  866.325   26.246 6.518555 36.97894 
1 1 1   -2   13    3 o  596.050   14.702  6296.99  309.634  6467.93  437.871  6126.02  437.906  604.165   20.505  587.935   21.073 16.22992 29.40332 
1 1 1   -2   13    5 o  386.590   12.307  2646.47  168.159  2620.06  237.785  2672.89  237.841  384.656   17.490  388.523   17.320 -3.866669 24.61477 
1 1 1   -2   13    7 o  277.884   11.530  1370.60  112.813  1508.32  159.533  1232.84  159.551  291.908   15.463  263.860   17.108 28.04739 23.06046 
1 1 1   -2   13    9 o  525.575   13.840  4895.75  257.047  4994.65  363.485  4796.81  363.555  530.901   19.371  520.250   19.771 10.65033 27.67932 
1 1 1   -2   13   11 o  403.532   15.361  2891.31  206.416  2896.92  252.809  2880.09  357.515  404.374   17.688  402.689   25.119 1.684753 30.72217 
1 1 1   -2   13   13 o  497.523   13.460  4389.04  236.675  4450.08  334.642  4327.95  334.775  500.996   18.898  494.050   19.172 6.945679 26.92041 
1 1 1   -2   13   15 o  573.147   14.385  5829.96  291.403  5842.98  412.029  5816.93  412.184  573.791   20.317  572.504   20.370 1.287048 28.76995 
1 1 1   -2   13   17 o  664.803   15.141  7867.42  355.005  7276.29  501.928  8459.13  502.177  639.634   22.202  689.972   20.592 -50.33777 30.28145 
1 1 1   -2   13   19 o  333.853   14.560  2011.71  160.795  1903.60  278.212  2065.93  197.037  326.578   24.103  341.129   16.342 -14.55182 29.12066 
1 1 1   -2   13   21 o  279.864   22.889  1401.31  226.413  1401.31  226.413   0.0000   0.0000  279.864   22.889  ?   ?       ?      ? 
1 1 1   -2   13   25 o  154.983   13.060  425.788   67.862  442.513  117.032  417.316   83.295  156.962   21.095  153.004   15.403 3.958405 26.12014 
1 1 1   -2   13   27 o  232.308   13.717  947.400  107.336  1040.63  185.492  900.469  131.608  240.211   21.848  224.406   16.593 15.80470 27.43476 
1 1 1   -2   13   29 o  244.314   14.193  1098.29  114.036  1142.81  139.676  1009.29  197.484  252.814   15.632  235.814   23.694 17.00018 28.38597 
1 1 1   -2   13   31 o  316.414   14.470  1804.54  152.538  1797.12  186.814  1819.37  264.222  316.580   16.696  316.247   23.639 0.3336792 28.94019 
1 1 1   -2   13   33 o  120.415   10.632  259.428   45.226  249.501   62.920  270.039   65.052  118.029   15.083  122.801   14.988 -4.772240 21.26329 
1 1 1   -2   13   35 o  424.556   13.027  3260.32  195.404  3361.62  276.093  3158.66  276.594  431.328   18.110  417.785   18.731 13.54340 26.05478 
1 1 1   -2   13   37 o  163.138   13.445  467.807   74.235  542.562  128.122  430.027   91.082  172.066   21.067  154.209   16.711 17.85767 26.89036 
1 1 1   -2   13   39 o  141.351   16.293  382.706   77.667  292.487  109.818  472.990  109.858  122.268   26.200  160.434   19.374 -38.16675 32.58535 
1 1 1   -2   13   41 o   79.321   15.243  122.837   43.850  122.042   62.353  123.616   61.679   79.065   21.669   79.578   21.445 -0.5138779 30.48656 
1 1 1   -2   13   43 o   94.962   22.831  183.401   75.687   0.0000   0.0000  183.401   75.687  ?   ?    94.962   22.831      ?      ? 
1 1 1   -2   14    2 o  870.044   18.599 13448.67  571.771 13838.95  808.588 13058.35  808.625  882.736   25.916  857.351   26.685 25.38458 37.19888 
1 1 1   -2   14    4 o  759.902   16.998 10252.36  456.359 10584.50  645.372  9920.19  645.406  772.269   23.644  747.535   24.428 24.73413 33.99631 
1 1 1   -2   14    6 o  654.526   15.556  7601.61  359.728  7844.63  508.711  7358.56  508.755  665.032   21.643  644.020   22.351 21.01147 31.11189 
1 1 1   -2   14    8 o  791.721   17.369 11132.90  485.988 11280.31  687.256 10985.46  687.326  796.989   24.398  786.452   24.727 10.53735 34.73703 
1 1 1   -2   14   10 o  525.561   19.572  4917.13  363.444  5059.84  514.035  4774.47  513.940  533.242   27.274  517.880   28.078 15.36206 39.14374 
1 1 1   -2   14   12 o  328.896   11.665  1916.92  135.593  1897.42  191.660  1936.46  191.856  327.217   16.572  330.574   16.420 -3.357788 23.32947 
1 1 1   -2   14   14 o  623.759   18.560  7004.22  383.579  6725.82  664.162  7143.56  469.864  613.424   30.633  634.094   20.965 -20.66943 37.12052 
1 1 1   -2   14   16 o  606.674   22.104  6618.60  471.991  7300.25  667.256  5935.97  667.735  638.490   29.568  574.858   32.864 63.63184 44.20761 
1 1 1   -2   14   18 o  790.929   21.468 11235.42  565.755 11185.79  692.758 11334.80  980.331  790.714   24.788  791.144   35.059 -0.4303589 42.93676 
1 1 1   -2   14   20 f   69.209   9.2364   87.914   21.810   58.710   30.366  119.029   31.344   56.476   14.971   81.942   10.822 -25.46605 18.47273 
1 1 1   -2   14   22 o  188.399   11.332  634.861   75.050  708.588  105.984  560.710  106.289  199.505   15.030  177.293   16.962 22.21225 22.66310 
1 1 1   -2   14   24 o  295.332   13.882  1652.62  132.004  1330.27  228.044  1815.06  161.881  271.440   23.770  319.223   14.348 -47.78381 27.76439 
1 1 1   -2   14   26 o  563.709   17.266  5694.44  325.815  5552.06  399.027  5979.28  564.367  555.478   20.324  571.940   27.918 -16.46198 34.53283 
1 1 1   -2   14   28 o  376.519   17.634  2581.99  234.592  2505.20  331.796  2658.74  331.732  370.750   25.320  382.289   24.551 -11.53961 35.26881 
1 1 1   -2   14   30 o  167.165   13.604  483.024   77.388  579.499  132.517  433.094   95.334  179.017   20.944  155.312   17.367 23.70522 27.20755 
1 1 1   -2   14   32 o   78.513   11.027  113.424   29.461  100.299   39.947  129.076   43.622   73.412   15.859   83.613   15.326 -10.20076 22.05416 
1 1 1   -2   14   34 o  224.366   10.444  905.524   82.196  771.138  115.200  1044.89  117.314  207.136   15.735  241.596   13.739 -34.46008 20.88899 
1 1 1   -2   14   36 o  197.238   10.629  700.666   73.960  646.898  103.835  756.041  105.374  189.437   15.508  205.039   14.540 -15.60168 21.25851 
1 1 1   -2   14   38 o  173.868   13.979  549.693   81.450  577.158  140.574  535.813   99.935  176.046   22.592  171.689   16.468 4.357101 27.95737 
1 1 1   -2   14   40 o   57.563   13.123   60.071   30.574   70.594   43.648   49.934   42.840   61.293   18.556   53.832   18.561 7.460663 26.24535 
1 1 1   -2   14   42 o   30.313   8.1545   8.2342   12.952   22.732   18.917  -4.5612   17.771   36.431   12.339   24.195   10.665 12.23610 16.30893 
1 1 1   -2   15    1 o  484.743   13.336  4166.46  228.424  4060.80  323.016  4272.16  323.065  478.575   19.097  490.911   18.619 -12.33643 26.67132 
1 1 1   -2   15    3 o  1085.32   21.917 21001.73  840.620 21404.50  1188.79 20598.93  1188.84  1095.82   30.694  1074.82   31.294 21.00049 43.83418 
1 1 1   -2   15    5 o  808.531   17.561 11620.64  501.843 11591.42  709.680 11649.87  709.747  807.508   24.865  809.553   24.805 -2.044800 35.12223 
1 1 1   -2   15    7 o  501.949   16.447  4401.76  277.200  4713.27  480.070  4245.95  339.518  514.666   26.391  489.233   19.635 25.43246 32.89410 
1 1 1   -2   15   11 o  434.213   19.040  3377.71  290.124  3836.12  410.119  2918.49  410.476  464.111   25.002  404.315   28.724 59.79605 38.08094 
1 1 1   -2   15   13 o  427.259   16.157  3309.42  227.613  3421.95  278.668  3083.88  394.519  438.993   17.960  415.525   26.863 23.46786 32.31364 
1 1 1   -2   15   15 f  1287.82   25.401 30011.93  1156.14 30246.50  1634.95 29777.31  1635.10  1292.97   35.776  1282.66   36.067 10.31091 50.80158 
1 1 1   -2   15   17 o  676.071   15.917  8175.79  380.283  8324.51  537.710  8026.96  537.891  682.299   22.297  669.844   22.720 12.45490 31.83320 
1 1 1   -2   15   19 o  484.515   13.683  4197.15  234.111  4394.49  330.981  3999.56  331.186  496.047   18.878  472.982   19.811 23.06503 27.36532 
1 1 1   -2   15   21 o  243.241   11.151  1054.67   95.864  1052.22  135.401  1057.13  135.744  242.958   15.768  243.524   15.771 -0.5658112 22.30129 
1 1 1   -2   15   23 f  322.443   11.370  1857.75  129.418  1749.64  182.751  1966.50  183.299  312.934   16.523  331.953   15.623 -19.01852 22.73951 
1 1 1   -2   15   25 o  365.410   14.920  2398.79  181.794  2381.51  222.645  2433.37  314.894  364.635   17.276  366.185   24.330 -1.550171 29.83952 
1 1 1   -2   15   27 o  317.418   11.543  1804.12  129.487  1775.16  182.613  1833.40  183.637  314.835   16.411  320.002   16.236 -5.166962 23.08531 
1 1 1   -2   15   29 o  175.772   13.124  548.155   77.323  531.663   94.691  581.160  133.956  172.336   15.546  179.207   21.149 -6.870728 26.24785 
1 1 1   -2   15   31 o   80.663   14.924  122.371   43.056  127.739   61.112  117.080   60.672   82.362   20.945   78.964   21.265 3.397804 29.84793 
1 1 1   -2   15   33 o  166.943   13.716  488.444   77.885  567.844  132.915  446.924   96.115  176.486   21.308  157.400   17.277 19.08586 27.43216 
1 1 1   -2   15   35 o   17.442   5.2139   0.6363   5.3770   2.4067   6.5324  -3.0838   9.4692   17.334   6.9677   17.551   7.7581 -0.2175713 10.42770 
1 1 1   -2   15   37 o   95.302   15.661  175.284   51.891  153.756   73.350  196.853   73.419   89.142   23.094  101.462   21.158 -12.32032 31.32127 
1 1 1   -2   15   39 o  147.086   15.645  410.110   81.055  373.599  114.647  446.599  114.612  140.064   23.159  154.109   21.042 -14.04517 31.29036 
1 1 1   -2   15   41 o  112.466   16.466  255.653   63.298  250.382   89.469  260.936   89.566  111.146   23.509  113.786   23.060 -2.640579 32.93125 
1 1 1   -2   16    2 o  409.345   15.298  2965.04  209.045  3013.56  362.017  2940.76  256.049  411.496   24.891  407.195   17.791 4.301086 30.59548 
1 1 1   -2   16    4 o  319.479   17.614  1851.14  193.204  2351.76  273.193  1350.24  273.269  363.827   21.245  275.131   28.102 88.69583 35.22845 
1 1 1   -2   16    6 o  524.813   20.103  4932.37  371.098  5484.70  524.736  4379.71  524.888  554.599   26.770  495.026   30.000 59.57288 40.20694 
1 1 1   -2   16    8 o  309.218   16.292  1703.35  177.850  1607.80  251.295  1799.25  251.740  300.461   23.663  317.974   22.400 -17.51337 32.58364 
1 1 1   -2   16   10 o  979.615   20.080 17178.42  695.173 16864.39  983.053 17492.53  983.193  970.545   28.658  988.685   28.136 -18.13995 40.16082 
1 1 1   -2   16   12 o  217.354   11.351  840.367   86.992  906.964  122.954  773.616  123.096  226.033   15.390  208.674   16.690 17.35922 22.70294 
1 1 1   -2   16   14 o  876.874   18.810 13813.02  582.922 14009.24  824.303 13616.73  824.449  883.207   26.406  870.540   26.795 12.66711 37.61991 
1 1 1   -2   16   16 o   74.496   12.807  101.864   32.037  100.651   39.248  104.285   55.457   73.849   15.529   75.143   20.370 -1.294029 25.61434 
1 1 1   -2   16   18 o  567.346   14.387  5766.05  288.491  5726.03  407.882  5806.11  408.094  565.351   20.412  569.340   20.280 -3.989441 28.77410 
1 1 1   -2   16   20 o  212.140   11.006  802.963   82.464  835.055  116.448  770.679  116.797  216.436   15.222  207.845   15.899 8.591690 22.01143 
1 1 1   -2   16   22 o  222.659   10.898  885.310   85.703  844.656  120.978  926.266  121.427  217.478   15.739  227.840   15.079 -10.36180 21.79622 
1 1 1   -2   16   24 o  385.650   14.742  2642.88  190.348  2562.41  232.826  2805.07  330.553  378.093   17.423  393.206   23.785 -15.11331 29.48331 
1 1 1   -2   16   26 o  162.712   13.169  475.727   71.376  474.909   87.432  477.361  123.585  162.977   15.178  162.447   21.524 0.5295258 26.33789 
1 1 1   -2   16   28 o  350.242   14.960  2216.35  174.076  2207.78  212.649  2233.77  303.081  350.647   17.158  349.836   24.512 0.8106689 29.92041 
1 1 1   -2   16   30 o  137.709   10.690  340.604   51.908  353.421   71.898  326.650   75.019  140.501   14.478  134.917   15.732 5.583511 21.38030 
1 1 1   -2   16   32 o  137.783   12.815  334.029   59.541  313.792   72.963  374.368  103.013  132.110   15.626  143.456   20.317 -11.34564 25.63081 
1 1 1   -2   16   34 o  182.468   15.523  612.921  100.069  633.820  141.583  592.060  141.455  185.702   21.571  179.234   22.329 6.468445 31.04699 
1 1 1   -2   16   36 f   73.340   14.642   90.662   40.621  156.590   66.296   51.032   51.400   90.280   21.147   56.400   20.256 33.87963 29.28349 
1 1 1   -2   16   38 o  161.546   15.722  495.126   89.610  526.448  126.712  463.789  126.745  167.034   21.463  156.057   22.979 10.97717 31.44333 
1 1 1   -2   16   40 o   98.692   22.890  197.372   78.296   0.0000   0.0000  197.372   78.296  ?   ?    98.692   22.890      ?      ? 
1 1 1   -2   17    3 o  311.984   23.378  1735.44  257.790  1735.44  257.790   0.0000   0.0000  311.984   23.378  ?   ?       ?      ? 
1 1 1   -2   17    5 o  844.872   22.450 12829.70  631.558 12847.29  1093.85 12820.91  773.510  842.864   36.718  846.880   25.842 -4.015869 44.90025 
1 1 1   -2   17    7 o  202.648   11.140  730.685   79.537  797.125  112.453  664.174  112.512  211.929   15.013  193.366   16.463 18.56281 22.28000 
1 1 1   -2   17    9 o  344.809   14.840  2142.67  169.495  2185.23  207.586  2057.54  293.581  350.586   16.753  339.031   24.500 11.55496 29.68001 
1 1 1   -2   17   11 o  149.697   10.512  398.188   55.614  392.077   78.531  404.337   78.769  148.540   14.958  150.855   14.773 -2.314667 21.02380 
1 1 1   -2   17   13 o  262.590   11.064  1228.55  102.485  1139.81  144.822  1317.57  145.051  253.015   16.195  272.165   15.079 -19.14999 22.12767 
1 1 1   -2   17   15 o  253.817   11.276  1147.94  101.155  1156.89  142.953  1138.96  143.156  254.817   15.872  252.816   16.021 2.001434 22.55227 
1 1 1   -2   17   17 o  289.731   11.377  1497.72  116.459  1451.43  164.603  1544.12  164.794  285.207   16.329  294.255   15.845 -9.048004 22.75311 
1 1 1   -2   17   19 o  348.530   11.719  2172.20  144.198  2050.80  203.767  2293.99  204.088  338.662   17.023  358.397   16.111 -19.73547 23.43873 
1 1 1   -2   17   21 o  340.200   14.707  2081.98  166.675  2075.72  204.137  2094.48  288.682  340.523   16.961  339.878   24.031 0.6452942 29.41398 
1 1 1   -2   17   23 o  300.790   11.748  1620.94  124.845  1672.32  176.362  1569.32  176.755  305.639   16.326  295.941   16.898 9.697510 23.49659 
1 1 1   -2   17   25 o  146.941   18.155  410.055   89.872  519.617  125.983  296.526  128.243  169.525   21.026  124.358   29.604 45.16631 36.31065 
1 1 1   -2   17   27 o  115.705   11.066  240.916   45.040  261.600   62.798  219.005   64.635  120.936   14.692  110.475   16.553 10.46098 22.13261 
1 1 1   -2   17   29 o  268.013   11.505  1290.89  108.973  1271.90  153.338  1310.27  154.897  266.011   16.309  270.016   16.231 -4.005096 23.00909 
1 1 1   -2   17   31 o  249.055   11.685  1127.60  101.796  1288.54  142.399  959.391  145.575  267.805   15.044  230.305   17.884 37.50044 23.37013 
1 1 1   -2   17   33 o  415.594   11.985  3147.07  174.164  2617.46  245.186  3686.46  247.441  379.254   18.291  451.935   15.491 -72.68091 23.96955 
1 1 1   -2   17   35 o  107.558   13.196  212.752   46.256  206.689   56.606  224.937   80.248  106.812   14.994  108.305   21.719 -1.493164 26.39233 
1 1 1   -2   18    2 o  501.955   13.675  4494.81  242.376  4717.21  342.756  4272.36  342.787  514.492   18.849  489.417   19.816 25.07468 27.34906 
1 1 1   -2   18    4 o  438.611   16.029  3473.56  232.998  3534.82  285.376  3351.08  403.528  445.448   18.126  431.774   26.442 13.67346 32.05830 
1 1 1   -2   18    6 o  217.504   15.561  846.679  119.598  866.659  169.173  826.716  169.100  220.101   21.746  214.906   22.263 5.194687 31.12118 
1 1 1   -2   18    8 o  251.236   15.904  1131.41  141.213  1145.60  199.736  1117.23  199.674  252.833   22.351  249.639   22.630 3.193726 31.80732 
1 1 1   -2   18   10 o  236.243   13.343  960.869  106.628  1121.10  184.596  880.637  130.623  250.199   20.875  222.287   16.626 27.91183 26.68649 
1 1 1   -2   18   12 o  236.771   13.608  1001.88  107.430  1006.43  185.808  999.593  131.669  236.693   22.211  236.850   15.729 -0.1569214 27.21573 
1 1 1   -2   18   14 o  125.744   10.506  281.718   46.687  286.713   65.936  276.695   66.116  126.872   14.704  124.616   15.011 2.256714 21.01288 
1 1 1   -2   18   16 o  260.499   11.459  1213.76  105.257  1307.51  148.794  1119.86  148.919  270.690   15.552  250.308   16.833 20.38246 22.91757 
1 1 1   -2   18   18 o  272.625   11.102  1329.94  106.670  1214.33  150.693  1446.05  151.016  260.604   16.360  284.646   15.011 -24.04166 22.20308 
1 1 1   -2   18   20 o  188.445   11.196  637.278   74.189  709.089  104.739  564.971  105.099  199.268   14.871  177.623   16.741 21.64542 22.39233 
1 1 1   -2   18   22 o  159.598   10.396  456.321   58.325  399.878   82.123  513.765   82.849  149.511   15.541  169.685   13.814 -20.17418 20.79291 
1 1 1   -2   18   24 o  286.360   11.677  1472.54  117.940  1576.03  166.510  1368.36  167.075  296.627   15.882  276.094   17.121 20.53250 23.35340 
1 1 1   -2   18   26 o  177.818   12.927  550.195   78.365  644.637  133.165  500.162   96.925  188.749   19.961  166.887   16.432 21.86206 25.85466 
1 1 1   -2   18   28 o  364.314   12.416  2394.31  159.846  2439.14  225.580  2349.10  226.536  367.827   17.352  360.802   17.764 7.024719 24.83237 
1 1 1   -2   18   30 o  106.084   11.154  202.729   41.715  203.322   57.045  202.049   61.157  106.324   15.180  105.844   16.348 0.4804764 22.30869 
1 1 1   -2   18   32 o  237.410   14.015  1032.00  111.839  1033.80  189.677  1031.03  138.470  236.256   22.715  238.564   16.422 -2.308517 28.02960 
1 1 1   -2   18   34 o  207.351   15.547  799.705  113.555  714.918  155.760  895.893  165.902  195.374   22.556  219.327   21.401 -23.95377 31.09348 
1 1 1   -2   18   36 f  109.142   23.044  235.316   86.104  235.316   86.104   0.0000   0.0000  109.142   23.044  ?   ?       ?      ? 
1 1 1   -2   18   38 o  189.798   16.341  713.360  109.301  657.200  154.596  769.491  154.554  181.425   24.109  198.171   22.066 -16.74529 32.68251 
1 1 1   -2   19    1 o  550.324   14.209  5420.46  276.372  5460.91  390.827  5380.00  390.871  552.404   20.017  548.244   20.172 4.160156 28.41807 
1 1 1   -2   19    3 f  410.421   12.605  3007.05  182.852  2985.10  258.560  3029.01  258.625  408.908   17.890  411.934   17.763 -3.026459 25.21092 
1 1 1   -2   19    5 o  410.275   12.700  3007.51  184.035  3135.61  260.244  2879.38  260.284  419.111   17.568  401.440   18.345 17.67090 25.40023 
1 1 1   -2   19    7 f  416.657   18.057  3136.87  265.829  3226.67  375.980  3047.11  375.899  422.753   25.163  410.561   25.904 12.19144 36.11373 
1 1 1   -2   19    9 o  240.658   13.970  1055.92  110.887  1091.05  135.824  985.713  192.016  247.401   15.533  233.915   23.225 13.48622 27.94066 
1 1 1   -2   19   11 o  441.767   18.489  3539.57  288.643  3604.24  408.265  3474.93  408.141  445.906   25.905  437.627   26.387 8.278259 36.97724 
1 1 1   -2   19   13 o  195.952   15.429  692.118  106.797  719.413  151.082  664.857  150.987  199.890   21.385  192.015   22.248 7.874802 30.85862 
1 1 1   -2   19   15 o  407.369   15.420  2939.89  210.958  3169.11  365.309  2825.21  258.397  417.865   24.735  396.873   18.421 20.99258 30.84050 
1 1 1   -2   19   17 o  165.480   10.564  489.658   61.645  450.953   87.050  528.593   87.309  158.846   15.505  172.115   14.352 -13.26945 21.12797 
1 1 1   -2   19   19 o  118.085   10.292  249.443   42.813  225.216   60.336  274.010   60.760  112.244   15.209  123.926   13.872 -11.68240 20.58475 
1 1 1   -2   19   21 o  150.813   11.022  408.163   58.548  444.763   82.507  371.040   83.093  157.735   14.799  143.891   16.339 13.84428 22.04468 
1 1 1   -2   19   23 o  127.814   11.247  294.658   50.380  335.044   70.829  253.302   71.674  136.872   14.641  118.756   17.076 18.11575 22.49350 
1 1 1   -2   19   25 o  106.158   15.051  211.229   49.440  214.425   57.860  202.581   95.175  109.382   14.966  102.933   26.118 6.448875 30.10212 
1 1 1   -2   19   27 o  282.549   14.180  1471.03  132.903  1388.53  227.911  1513.54  163.599  275.035   23.445  290.063   15.958 -15.02853 28.36067 
1 1 1   -2   19   29 o  255.461   16.206  1202.48  146.279  1164.88  204.087  1242.19  209.771  251.332   22.974  259.591   22.863 -8.258224 32.41218 
1 1 1   -2   19   31 o   69.644   14.644   93.522   35.409  100.980   39.843   65.497   77.234   73.344   15.834   65.945   24.638 7.398598 29.28749 
1 1 1   -2   19   33 o  135.213   10.455  329.265   49.155  255.199   66.505  418.441   72.974  118.302   15.905  152.124   13.572 -33.82214 20.90906 
1 1 1   -2   19   35 o  106.546   16.326  226.042   59.745  206.719   84.530  245.330   84.453  101.475   23.953  111.617   22.189 -10.14246 32.65128 
1 1 1   -2   19   37 o  154.099   16.001  470.092   87.144  474.870  123.221  465.311  123.260  154.979   22.495  153.218   22.761 1.761032 32.00161 
1 1 1   -2   20    2 o  155.057   10.559  429.165   57.728  395.037   81.618  463.331   81.662  148.827   15.516  161.288   14.325 -12.46078 21.11778 
1 1 1   -2   20    4 o   78.182   11.006  112.962   29.336  122.435   41.479  103.480   41.496   81.635   14.926   74.729   16.180 6.905922 22.01279 
1 1 1   -2   20    6 o  260.126   16.103  1220.61  148.044  1227.87  209.180  1213.31  209.551  260.922   22.682  259.330   22.862 1.592804 32.20518 
1 1 1   -2   20    8 o  147.512   10.514  388.827   54.635  352.045   77.153  425.825   77.380  140.439   15.543  154.586   14.162 -14.14714 21.02780 
1 1 1   -2   20   10 o  305.332   11.742  1669.04  126.512  1776.13  178.813  1561.71  179.016  315.268   16.047  295.395   17.146 19.87332 23.48415 
1 1 1   -2   20   12 o  178.936   10.570  572.576   66.638  519.019   94.032  626.611   94.450  170.434   15.610  187.438   14.257 -17.00433 21.14072 
1 1 1   -2   20   14 f  220.003   13.685  880.580   99.619  900.252  122.029  841.278  172.482  224.440   15.383  215.566   22.638 8.873642 27.37033 
1 1 1   -2   20   16 o  289.354   16.415  1519.85  167.803  1569.49  237.372  1470.25  237.247  294.204   22.828  284.504   23.594 9.699890 32.82916 
1 1 1   -2   20   18 o  189.651   15.461  651.658  103.604  632.655  146.451  670.696  146.586  186.815   22.180  192.486   21.546 -5.670715 30.92236 
1 1 1   -2   20   20 o  137.229   12.855  329.965   59.516  368.521  102.810  310.532   72.990  142.786   20.372  131.671   15.684 11.11496 25.70973 
1 1 1   -2   20   22 f  224.540   13.640  891.906  103.152  975.108  178.054  849.874  126.553  231.576   21.754  217.504   16.462 14.07202 27.28063 
1 1 1   -2   20   24 o  269.614   15.655  1327.19  148.586  1180.31  207.690  1481.19  212.664  253.930   23.141  285.297   21.090 -31.36694 31.30955 
1 1 1   -2   20   26 o   56.997   14.045   49.558   32.091   42.867   37.911   66.471   60.272   50.814   17.464   63.181   22.003 -12.36723 28.09088 
1 1 1   -2   20   28 o  206.541   11.794  777.070   85.495  862.433  119.345  687.080  122.536  218.617   15.445  194.465   17.828 24.15294 23.58808 
1 1 1   -2   20   30 o  122.143   16.131  285.909   67.068  296.319   95.013  275.571   94.685  124.568   22.404  119.718   23.215 4.850655 32.26250 
1 1 1   -2   20   32 o  122.418   11.426  274.607   49.277  278.026   67.319  270.660   72.327  123.426   15.432  121.409   16.855 2.016640 22.85208 
1 1 1   -2   20   34 o  128.216   14.384  318.551   61.173  307.363   99.260  325.403   77.678  124.112   23.488  132.321   16.609 -8.209656 28.76722 
1 1 1   -2   20   36 o   49.258   12.262   42.075   26.685   34.555   38.177   49.258   37.315   46.747   17.351   51.769   17.331 -5.021873 24.52345 
1 1 1   -2   21    1 o  184.922   10.832  610.636   70.793  606.313  100.086  614.964  100.147  184.261   15.368  185.583   15.268 -1.322495 21.66309 
1 1 1   -2   21    3 o  189.397   10.730  641.149   71.704  597.720  101.371  684.637  101.440  182.906   15.681  195.888   14.651 -12.98274 21.46044 
1 1 1   -2   21    5 o  256.532   14.054  1216.68  118.176  1090.90  204.463  1279.78  144.815  245.378   23.575  267.685   15.306 -22.30740 28.10835 
1 1 1   -2   21    7 o  142.540   11.314  366.939   56.141  438.329   79.299  295.202   79.492  156.747   14.314  128.333   17.525 28.41357 22.62759 
1 1 1   -2   21    9 o   97.351   11.796  175.477   38.813  219.128   54.732  131.321   55.049  110.838   13.971   83.863   19.011 26.97509 23.59227 
1 1 1   -2   21   11 o  224.882   10.648  906.091   84.248  806.102  118.950  1006.74  119.340  212.265   15.855  237.499   14.217 -25.23427 21.29553 
1 1 1   -2   21   13 o  134.044   10.557  321.148   50.008  312.833   70.523  329.557   70.924  132.284   15.084  135.805   14.776 -3.521225 21.11499 
1 1 1   -2   21   15 o   90.022   10.539  147.845   32.419  122.419   45.483  174.103   46.221   81.243   16.405   98.800   13.236 -17.55751 21.07854 
1 1 1   -2   21   17 o  211.648   13.643  806.391   96.289  812.264  166.471  803.438  118.039  211.520   22.267  211.776   15.770 -0.2555389 27.28588 
1 1 1   -2   21   19 o  197.580   22.012  710.085  153.717  710.085  153.717   0.0000   0.0000  197.580   22.012  ?   ?       ?      ? 
1 1 1   -2   21   21 o  260.318   22.912  1238.63  210.809  1238.63  210.809   0.0000   0.0000  260.318   22.912  ?   ?       ?      ? 
1 1 1   -2   21   23 o  198.666   22.132  722.058  155.406  722.058  155.406   0.0000   0.0000  198.666   22.132  ?   ?       ?      ? 
1 1 1   -2   21   25 o  277.848   14.094  1443.89  128.885  1305.51  221.350  1514.87  158.531  265.768   23.564  289.928   15.470 -24.16022 28.18894 
1 1 1   -2   21   27 o  328.562   14.370  1986.27  157.424  1975.26  270.750  1991.89  193.492  325.735   23.517  331.388   16.520 -5.653046 28.73947 
1 1 1   -2   21   29 o  126.000   11.013  287.156   48.915  262.562   66.654  315.860   72.009  120.155   15.695  131.844   15.453 -11.68941 22.02541 
1 1 1   -2   21   31 o  101.406   13.412  185.143   44.565  156.157   54.643  242.720   77.015   90.468   17.723  112.344   20.135 -21.87675 26.82426 
1 1 1   -2   21   33 o   61.862   12.006   73.765   26.749   73.386   34.728   74.319   41.942   61.714   15.841   62.009   18.046 -0.2955093 24.01271 
1 1 1   -2   21   35 o   32.083   8.9166   11.597   14.902   7.2831   21.352   15.694   20.806   30.530   12.478   33.636   12.741 -3.105804 17.83317 
1 1 1   -2   22    2 o  179.042   10.972  575.135   69.086  640.393   97.667  509.781   97.739  189.363   14.593  168.722   16.390 20.64145 21.94474 
1 1 1   -2   22    4 o  215.909   10.984  833.753   83.821  833.388  118.530  834.119  118.551  215.861   15.536  215.957   15.532 -0.9538269E-01 21.96795 
1 1 1   -2   22    6 o  190.210   13.213  652.335   83.557  655.662  102.339  645.683  144.717  191.510   15.119  188.909   21.674 2.601288 26.42663 
1 1 1   -2   22    8 o  100.999   10.545  182.432   37.622  188.588   53.015  176.187   53.399  102.740   14.599   99.258   15.221 3.482101 21.09084 
1 1 1   -2   22   10 f  244.179   10.936  1068.11   94.204  993.031  133.102  1143.46  133.346  235.467   15.993  252.891   14.919 -17.42453 21.87107 
1 1 1   -2   22   12 o  409.177   16.048  3163.60  213.240  2702.84  368.975  3394.67  261.294  383.461   27.224  434.892   16.999 -51.43201 32.09566 
1 1 1   -2   22   14 o  143.140   15.035  371.369   76.006  353.195  107.052  389.842  107.930  139.533   21.707  146.747   20.809 -7.214050 30.07008 
1 1 1   -2   22   16 o  116.150   15.036  249.216   60.210  217.615   84.160  282.347   86.174  107.350   22.881  124.951   19.513 -17.60075 30.07116 
1 1 1   -2   22   18 o   95.996   14.695  193.575   47.152  236.904   57.463  104.268   82.498  115.033   14.133   76.959   25.769 38.07423 29.39018 
1 1 1   -2   22   20 o  228.930   11.390  944.938   91.925  1019.09  129.742  870.188  130.264  238.140   15.414  219.720   16.774 18.41948 22.78087 
1 1 1   -2   22   22 o  382.681   14.210  2567.98  183.276  2349.22  223.583  3016.07  319.985  360.209   17.562  405.153   22.346 -44.94382 28.42065 
1 1 1   -2   22   24 o  120.365   13.861  272.133   53.559  278.499   65.587  259.390   92.792  124.277   14.932  116.452   23.357 7.825188 27.72219 
1 1 1   -2   22   26 o   80.090   15.926  120.270   43.494  120.270   43.494   0.0000   0.0000   80.090   15.926  ?   ?       ?      ? 
1 1 1   -2   22   28 o  175.349   15.817  580.800   97.687  528.572  138.164  633.010  138.138  166.922   23.419  183.776   21.267 -16.85350 31.63399 
1 1 1   -2   22   30 o   89.100   14.573  155.391   43.993  157.341   71.560  154.206   55.778   88.783   22.712   89.416   18.267 -0.6331024 29.14659 
1 1 1   -2   22   32 o  144.794   10.491  388.726   53.387  336.799   74.000  445.085   77.095  134.362   15.583  155.225   14.052 -20.86302 20.98277 
1 1 1   -2   23    1 o  234.418   11.181  987.821   92.096  1110.01  130.270  865.734  130.217  249.159   14.793  219.678   16.771 29.48125 22.36284 
1 1 1   -2   23    3 o  128.654   10.113  297.020   45.646  255.385   64.426  338.986   64.682  119.464   15.258  137.844   13.276 -18.37946 20.22551 
1 1 1   -2   23    5 o  218.070   13.303  846.932   97.098  826.993  118.901  886.850  168.234  214.895   15.655  221.245   21.514 -6.349716 26.60670 
1 1 1   -2   23    7 o  268.322   14.281  1340.80  125.333  1189.01  216.811  1416.98  153.598  255.335   24.024  281.309   15.448 -25.97346 28.56255 
1 1 1   -2   23    9 o   46.645   11.863   32.913   25.105   39.413   34.025   25.145   37.195   48.672   16.548   44.618   17.002 4.053627 23.72584 
1 1 1   -2   23   11 o  102.010   15.493  195.908   54.211  181.632   75.788  210.865   77.574   98.042   22.366  105.977   21.446 -7.935608 30.98658 
1 1 1   -2   23   13 f  179.926   14.279  614.778   82.890  665.666  101.382  512.170  143.961  192.731   14.883  167.120   24.372 25.61172 28.55711 
1 1 1   -2   23   15 f  122.518   12.069  279.371   49.275  355.052   69.510  202.921   69.863  140.824   13.965  104.212   19.689 36.61243 24.13880 
1 1 1   -2   23   17 o   55.393   10.257   56.949   20.315   53.880   28.169   60.275   29.324   53.894   14.480   56.893   14.531 -2.999664 20.51350 
1 1 1   -2   23   19 o  142.794   11.116  368.610   55.868  403.816   78.611  332.682   79.413  149.855   14.842  135.732   16.553 14.12268 22.23278 
1 1 1   -2   23   21 o  232.796   11.105  979.365   91.281  926.738  128.818  1032.44  129.364  226.383   16.099  239.208   15.301 -12.82492 22.21060 
1 1 1   -2   23   23 o   63.913   11.665   77.734   26.549   85.160   35.340   68.114   40.223   67.335   15.209   60.491   17.692 6.844246 23.33058 
1 1 1   -2   23   25 o  162.646   11.423  485.581   65.200  537.013   90.816  430.871   93.664  171.958   14.942  153.334   17.283 18.62411 22.84661 
1 1 1   -2   23   27 o   64.159   15.493   75.073   41.609   83.681   51.194   58.319   71.421   66.273   20.103   62.046   23.580 4.226795 30.98642 
1 1 1   -2   23   29 o   95.880   13.747  173.725   43.087  159.767   52.829  201.454   74.463   91.205   17.014  100.555   21.596 -9.350464 27.49328 
1 1 1   -2   23   31 o   53.683   12.871   53.107   29.121   50.850   41.409   55.315   40.960   52.928   18.248   54.438   18.157 -1.510307 25.74275 
1 1 1   -2   24    2 o  379.951   17.746  2650.79  238.308  2623.04  336.869  2678.60  337.167  377.889   25.222  382.014   24.972 -4.124451 35.49257 
1 1 1   -2   24    6 o  166.186   12.561  480.079   70.410  442.056   86.029  557.228  122.541  156.965   15.507  175.408   19.766 -18.44305 25.12260 
1 1 1   -2   24    8 o  194.878   10.714  681.760   73.664  633.701  103.888  730.358  104.469  187.870   15.645  201.887   14.641 -14.01675 21.42727 
1 1 1   -2   24   10 o  106.149   10.113  203.162   37.479  166.242   52.726  240.873   53.287   96.211   15.505  116.088   12.987 -19.87693 20.22560 
1 1 1   -2   24   12 o  169.459   10.971  516.925   65.572  553.155   92.513  480.351   92.953  175.543   14.911  163.374   16.098 12.16911 21.94222 
1 1 1   -2   24   14 o   51.591   10.144   48.814   20.023   67.415   27.954   29.214   28.695   60.193   13.475   42.988   15.167 17.20446 20.28847 
1 1 1   -2   24   16 o   78.860   11.344  116.136   30.531  117.352   42.591  114.851   43.790   79.355   15.741   78.364   16.339 0.9905090 22.68816 
1 1 1   -2   24   18 o  160.618   10.648  465.327   60.442  455.082   85.139  475.737   85.822  158.812   15.168  162.424   14.950 -3.611725 21.29680 
1 1 1   -2   24   20 o   70.766   11.021   94.194   26.932   76.073   37.682  113.117   38.508   63.550   16.596   77.983   14.505 -14.43274 22.04136 
1 1 1   -2   24   22 o  205.181   10.787  765.378   77.923  681.680  109.061  852.668  111.375  193.452   15.951  216.910   14.527 -23.45790 21.57467 
1 1 1   -2   24   24 o  302.751   11.251  1688.67  119.001  1394.20  167.244  1990.63  169.361  274.952   17.210  330.551   14.496 -55.59958 22.50142 
1 1 1   -2   24   26 o   70.504   11.310   93.909   27.428   81.320   36.438  110.368   41.664   65.069   15.964   75.939   16.026 -10.87038 22.62062 
1 1 1   -2   24   28 o   97.891   23.116  196.682   78.699  196.682   78.699   0.0000   0.0000   97.891   23.116  ?   ?       ?      ? 
1 1 1   -2   25    1 o   55.337   15.208   56.725   30.663   56.725   30.663   0.0000   0.0000   55.337   15.208  ?   ?       ?      ? 
1 1 1   -2   25    3 o   85.972   15.437  140.160   47.003  136.012   66.645  144.265   66.300   84.711   22.046   87.232   21.614 -2.520531 30.87427 
1 1 1   -2   25    5 o  363.425   17.581  2439.17  225.809  2474.03  319.384  2404.31  319.301  366.136   24.680  360.713   25.045 5.423492 35.16191 
1 1 1   -2   25    7 o  232.602   13.777  997.314  105.839  941.427  183.010  1025.40  129.735  226.423   22.868  238.781   15.372 -12.35724 27.55474 
1 1 1   -2   25    9 o   72.248   11.138   97.459   27.645   91.204   38.629  104.026   39.581   69.796   16.001   74.699   15.499 -4.903091 22.27678 
1 1 1   -2   25   11 o  151.784   10.489  414.786   56.184  387.056   79.108  443.009   79.809  146.581   15.269  156.987   14.384 -10.40552 20.97722 
1 1 1   -2   25   13 o  182.391   10.747  601.362   68.993  538.934   97.458  664.080   97.684  172.688   15.967  192.093   14.388 -19.40443 21.49334 
1 1 1   -2   25   15 o  205.164   11.006  761.679   79.756  792.134  112.617  731.034  112.968  209.385   15.217  200.944   15.906 8.440826 22.01290 
1 1 1   -2   25   17 o   51.325   8.2711   46.221   16.331   15.509   22.172   82.649   24.147   34.632   13.144   68.018   10.044 -33.38672 16.54218 
1 1 1   -2   25   19 o  197.278   10.927  709.509   75.887  636.608  107.065  783.109  107.577  186.786   16.217  207.770   14.649 -20.98318 21.85417 
1 1 1   -2   25   21 o   35.268   8.9929   19.060   14.562   25.033   18.456   9.2082   23.702   37.702   12.167   32.834   13.246 4.867527 17.98584 
1 1 1   -2   25   23 o  130.920   11.087  316.381   51.283  316.964   71.563  315.765   73.525  131.128   15.441  130.712   15.915 0.4165649 22.17446 
1 1 1   -2   25   25 o   78.646   12.374  124.662   34.895  167.883   47.243   72.772   51.765   95.409   14.010   61.884   20.401 33.52478 24.74837 
1 1 1   -2   26    2 o  178.389   13.715  598.742   79.994  529.049  138.081  633.947   98.140  169.151   23.096  187.626   14.799 -18.47455 27.43066 
1 1 1   -2   26    4 f  206.063   10.934  768.521   79.207  677.043  111.831  860.609  112.203  193.468   16.354  218.658   14.518 -25.18990 21.86880 
1 1 1   -2   26    6 o  208.434   14.036  812.931   95.980  847.739  117.536  743.261  166.286  216.726   15.344  200.142   23.507 16.58456 28.07172 
1 1 1   -2   26    8 o  177.320   15.590  581.260   97.654  560.290  138.107  602.228  138.101  173.974   22.460  180.666   21.627 -6.692001 31.17999 
1 1 1   -2   26   10 o  168.492   15.533  525.911   92.472  541.571  130.806  510.266  130.745  171.118   21.628  165.865   22.302 5.252975 31.06686 
1 1 1   -2   26   12 o   99.832   13.252  172.385   44.319  239.716   76.460  138.318   54.387  114.293   18.928   85.371   18.554 28.92168 26.50497 
1 1 1   -2   26   14 o  151.902   10.876  419.184   58.387  423.762   82.368  414.560   82.777  152.770   15.255  151.035   15.507 1.734940 21.75211 
1 1 1   -2   26   16 o  183.816   10.833  617.715   69.907  534.763   98.422  702.176   99.312  170.958   16.289  196.675   14.287 -25.71713 21.66625 
1 1 1   -2   26   18 o  114.328   10.623  239.480   42.742  213.506   60.151  265.971   60.747  107.856   15.779  120.800   14.228 -12.94460 21.24633 
1 1 1   -2   26   20 o  141.123   10.810  367.079   53.910  360.111   75.440  374.350   77.067  139.760   15.272  142.485   15.303 -2.724289 21.61998 
1 1 1   -2   26   22 o  149.936   11.360  422.296   59.789  465.071   83.312  376.871   85.855  158.385   14.882  141.487   17.168 16.89784 22.72083 
1 1 1   -2   26   24 o   60.128   11.688   72.365   26.592   92.176   35.366   46.595   40.335   69.044   14.927   51.211   17.990 17.83313 23.37634 
1 1 1   -2   27    1 f  212.904   11.079  822.634   83.366  815.985  117.802  829.305  117.993  212.023   15.720  213.784   15.616 -1.760803 22.15763 
1 1 1   -2   27    3 o  116.069   10.732  244.130   43.996  232.154   61.778  256.454   62.671  113.128   15.451  119.009   14.899 -5.880859 21.46410 
1 1 1   -2   27    5 o  206.373   13.706  788.924   93.811  771.762  162.233  797.545  114.985  203.160   22.593  209.585   15.522 -6.424759 27.41174 
1 1 1   -2   27    7 o  138.156   10.411  347.105   50.448  296.739   70.877  398.822   71.821  127.726   15.700  148.586   13.676 -20.85935 20.82129 
1 1 1   -2   27    9 o  148.190   11.185  402.482   58.080  460.096   81.994  344.465   82.281  159.236   14.569  137.143   16.975 22.09276 22.36930 
1 1 1   -2   27   11 o  176.005   15.716  584.800   97.659  615.354  138.212  554.335  138.010  180.901   21.617  171.109   22.820 9.791397 31.43294 
1 1 1   -2   27   13 o  157.697   13.243  454.489   70.060  436.544   85.820  490.345  121.308  154.290   15.737  161.105   21.304 -6.814499 26.48620 
1 1 1   -2   27   15 o   45.780   11.375   33.527   23.393   19.835   32.997   47.362   33.170   40.631   15.873   50.930   16.297 -10.29840 22.74962 
1 1 1   -2   27   17 o   73.766   14.960  107.814   41.054  111.709   58.061  103.919   58.058   75.025   21.043   72.507   21.270 2.518417 29.91992 
1 1 1   -2   27   19 o  183.767   13.878  659.999   83.942  616.670  144.386  682.120  103.169  176.156   23.190  191.378   15.252 -15.22253 27.75654 
1 1 1   -2   27   21 o  101.003   13.923  216.089   45.460  159.151   76.826  246.766   56.392   86.757   24.161  115.249   13.844 -28.49196 27.84580 
1 1 1   -2   28    2 o   81.076   13.473  126.697   36.457  127.162   44.756  125.780   62.848   81.978   16.021   80.174   21.665 1.803932 26.94505 
1 1 1   -2   28    4 o  154.865   10.966  441.679   59.572  499.330   83.968  383.253   84.530  165.487   14.356  144.242   16.581 21.24454 21.93183 
1 1 1   -2   28    6 o  120.244   10.554  264.799   44.779  246.590   63.051  283.329   63.606  115.940   15.386  124.547   14.449 -8.606903 21.10731 
1 1 1   -2   28    8 f   62.563   11.121   74.851   24.572   77.255   34.375   72.339   35.136   63.614   15.444   61.512   16.007 2.101509 22.24277 
1 1 1   -2   28   10 o  188.628   11.117  659.089   73.827  722.836  104.333  595.162  104.481  198.209   14.893  179.047   16.510 19.16245 22.23463 
1 1 1   -2   28   12 o   17.041   5.0917  -1.0166   5.6094   4.1486   7.5977  -7.2055   8.3167   19.518   7.6187   14.564   6.7569 4.954187 10.18335 
1 1 1   -2   28   14 o   38.727   8.9327   25.932   14.244   18.707   19.488   34.219   20.870   34.571   12.466   42.883   12.797 -8.312340 17.86547 
1 1 1   -2   28   16 o   92.748   13.416  174.051   40.851  150.876   69.889  186.078   50.348   85.411   22.745  100.085   14.233 -14.67381 26.83148 
1 1 1   -2   29    3 o   49.997   10.398   46.391   20.769   66.480   28.874   24.854   29.896   58.965   14.054   41.028   15.329 17.93715 20.79619 
1 1 1   -2   29    5 o   53.197   10.500   54.173   20.531   57.855   28.322   50.096   29.806   54.961   14.405   51.434   15.280 3.526600 20.99978 
1 1 1   -2   29    7 o  123.296   14.155  298.816   56.016  303.193   68.648  290.095   96.903  127.594   15.222  118.997   23.870 8.597374 28.31094 
1 1 1   -2   29    9 o  100.677   11.356  193.006   39.383  209.150   55.504  176.636   55.889  105.965   14.820   95.389   17.210 10.57555 22.71164 
1 1 1   -2   29   11 o   23.928   4.7317  -4.5704   2.4499   10.531   3.8600 -14.7582   3.1704   23.928   4.7317  ?   ?       ?      ? 
1 1 1   -1    0    3 o   51.965   12.956   62.704   30.564   62.704   30.564   62.704   30.564   51.965   18.323   51.965   18.323 -0.000000 0.000000 
1 1 1   -1    0    9 o  2097.04   55.621 79573.30  5811.56 79573.30  5811.56 79573.30  5811.56  2097.04   78.660  2097.04   78.660 -0.000000 0.000000 
1 1 1   -1    0   11 o  1127.82   32.145 22821.23  1805.44 22821.23  1805.44 22821.23  1805.44  1127.82   45.460  1127.82   45.460 -0.000000 0.000000 
1 1 1   -1    0   13 o  270.981   16.479  1330.06  219.406  1330.06  219.406  1330.06  219.406  270.981   23.305  270.981   23.305 -0.000000 0.000000 
1 1 1   -1    0   15 o  1051.41   30.360 19778.62  1589.48 19778.62  1589.48 19778.62  1589.48  1051.41   42.935  1051.41   42.935 -0.000000 0.000000 
1 1 1   -1    0   19 o  1270.32   35.279 28846.87  2232.24 28846.87  2232.24 28846.87  2232.24  1270.32   49.892  1270.32   49.892 -0.000000 0.000000 
1 1 1   -1    0   21 o  455.214   18.679  3706.40  421.742  3706.40  421.742  3706.40  421.742  455.214   26.416  455.214   26.416 -0.000000 0.000000 
1 1 1   -1    0   23 o  640.994   21.833  7335.69  695.813  7335.69  695.813  7335.69  695.813  640.994   30.876  640.994   30.876 -0.000000 0.000000 
1 1 1   -1    0   25 o  1163.07   32.926 24255.62  1907.20 24255.62  1907.20 24255.62  1907.20  1163.07   46.564  1163.07   46.564 -0.000000 0.000000 
1 1 1   -1    0   27 o  1122.06   32.084 22641.44  1792.78 22641.44  1792.78 22641.44  1792.78  1122.06   45.374  1122.06   45.374 -0.000000 0.000000 
1 1 1   -1    0   29 o  318.607   16.955  1834.10  266.492  1834.10  266.492  1834.10  266.492  318.607   23.977  318.607   23.977 -0.000000 0.000000 
1 1 1   -1    0   31 o  219.357   16.227  884.268  173.461  884.268  173.461  884.268  173.461  219.357   22.948  219.357   22.948 -0.000000 0.000000 
1 1 1   -1    0   33 f  263.849   16.508  1271.24  213.799  1271.24  213.799  1271.24  213.799  263.849   23.347  263.849   23.347 -0.000000 0.000000 
1 1 1   -1    0   35 o  534.187   20.183  5178.58  535.405  5178.58  535.405  5178.58  535.405  534.187   28.544  534.187   28.544 -0.000000 0.000000 
1 1 1   -1    0   37 o  202.208   16.362  759.823  159.774  759.823  159.774  759.823  159.774  202.208   23.139  202.208   23.139 -0.000000 0.000000 
1 1 1   -1    0   39 o  159.045   16.898  482.792  125.390  482.792  125.390  482.792  125.390  159.045   23.898  159.045   23.898 -0.000000 0.000000 
1 1 1   -1    0   41 o   19.375   9.0214  -4.2927   22.275  -4.2927   22.275  -4.2927   22.275   19.375   12.758   19.375   12.758 -0.000000 0.000000 
1 1 1   -1    0   43 o   75.315   19.660  137.146   68.573  137.146   68.573  137.146   68.573   75.315   27.803   75.315   27.803 -0.000000 0.000000 
1 1 1   -1    1    2 o  150.073   14.966  398.857   79.328  381.313  112.186  416.402  112.187  146.765   21.627  153.381   20.694 -6.615219 29.93280 
1 1 1   -1    1    4 o  331.660   23.593  1948.06  276.559   0.0000   0.0000  1948.06  276.559  ?   ?   331.660   23.593      ?      ? 
1 1 1   -1    1    6 o  1051.49   29.805 19613.28  1107.67   0.0000   0.0000 19613.28  1107.67  ?   ?   1051.49   29.805      ?      ? 
1 1 1   -1    1    8 o  1634.36   43.983 48207.67  2538.64 50399.82  3590.18 46015.53  3590.17  1672.31   60.741  1596.41   63.628 75.89807 87.96576 
1 1 1   -1    1   10 o  1699.50   40.296 52883.84  2267.65 53784.90  2777.29 51081.74  3927.68  1729.63   45.431  1669.37   66.568 60.26111 80.59282 
1 1 1   -1    1   12 o  906.407   27.209 14767.82  871.596 15018.37  1232.62 14517.26  1232.62  914.228   38.147  898.586   38.811 15.64209 54.41900 
1 1 1   -1    1   14 f  598.630   21.046  6388.75  445.091  6613.75  629.440  6163.73  629.466  609.265   29.230  587.995   30.289 21.26984 42.09259 
1 1 1   -1    1   16 o  154.253   21.207  421.766  115.618   0.0000   0.0000  421.766  115.618  ?   ?   154.253   21.207      ?      ? 
1 1 1   -1    1   18 o  518.365   19.450  4769.06  356.346  4767.37  503.933  4770.75  503.966  518.273   27.510  518.457   27.502 -0.1840820 38.89971 
1 1 1   -1    1   20 o  436.617   18.058  3382.00  278.597  3292.20  393.978  3471.82  394.014  430.798   25.875  442.437   25.197 -11.63950 36.11612 
1 1 1   -1    1   22 o  312.673   16.507  1734.01  182.400  1762.76  257.939  1705.25  257.966  315.275   23.148  310.071   23.539 5.204132 33.01340 
1 1 1   -1    1   24 o  1772.21   48.164 57556.42  3016.77 58071.62  4266.34 57041.20  4266.39  1780.43   67.797  1763.98   68.430 16.45117 96.32799 
1 1 1   -1    1   26 o  586.446   20.681  6131.42  428.668  6092.00  606.209  6170.84  606.247  584.544   29.342  588.348   29.154 -3.803650 41.36276 
1 1 1   -1    1   28 o  335.186   16.793  2003.01  198.935  1979.47  281.328  2026.56  281.345  333.199   23.889  337.174   23.608 -3.974609 33.58595 
1 1 1   -1    1   30 o  588.001   20.924  6243.42  434.852  6198.13  614.966  6288.72  614.980  585.821   29.701  590.180   29.482 -4.358337 41.84869 
1 1 1   -1    1   32 f   96.824   15.349  175.043   51.307  194.087   72.590  156.032   72.527  102.255   20.793   91.393   22.583 10.86262 30.69793 
1 1 1   -1    1   34 o  363.795   17.350  2398.50  223.074  2429.92  315.505  2367.10  315.444  366.236   24.374  361.353   24.698 4.883514 34.70018 
1 1 1   -1    1   36 o   41.844   10.443   25.006   18.720   18.166   23.334   37.358   31.358   36.468   13.559   47.219   15.887 -10.75107 20.88629 
1 1 1   -1    1   38 o  153.476   15.220  421.494   82.559  421.494   82.559   0.0000   0.0000  153.476   15.220  ?   ?       ?      ? 
1 1 1   -1    1   40 o  237.573   14.046  1044.45  109.836  1087.38  134.714  959.314  189.701  246.165   15.483  228.982   23.440 17.18355 28.09179 
1 1 1   -1    1   42 o  409.117   18.556  3135.36  265.461  2635.28  375.357  3635.75  375.478  374.526   28.356  443.708   23.942 -69.18161 37.11189 
1 1 1   -1    1   44 o  337.441   24.799  2140.11  295.764   0.0000   0.0000  2140.11  295.764  ?   ?   337.441   24.799      ?      ? 
1 1 1   -1    2    1 o  1587.41   30.633 44858.94  1717.89 46446.75  2429.46 43271.13  2429.46  1615.71   42.543  1559.11   44.087 56.60010 61.26632 
1 1 1   -1    2    3 o  1182.35   29.071 25022.41  1141.23 24404.88  1976.64 25331.19  1397.72  1169.98   47.800  1194.71   33.101 -24.72729 58.14196 
1 1 1   -1    2    5 o  712.524   15.577  9001.73  391.541  9639.35  553.732  8364.15  553.713  737.842   21.233  687.206   22.797 50.63580 31.15370 
1 1 1   -1    2    7 o  867.756   23.165 13800.54  657.880 12216.90  1139.47 14592.38  805.740  828.270   38.923  907.242   25.128 -78.97217 46.32956 
1 1 1   -1    2    9 o  666.484   19.426  7995.81  428.326  8196.99  524.592  7593.46  741.876  679.889   21.830  653.079   32.140 26.81055 38.85290 
1 1 1   -1    2   11 o  297.988   13.531  1533.32  135.931  1714.00  235.457  1443.01  166.475  310.649   21.445  285.327   16.508 25.32239 27.06256 
1 1 1   -1    2   13 o  979.293   24.971 17236.97  812.682 17364.91  995.330 16981.09  1407.60  986.995   28.532  971.591   40.990 15.40436 49.94236 
1 1 1   -1    2   15 o  499.366   19.123  4431.77  337.414  4555.46  477.185  4308.09  477.165  506.373   26.662  492.358   27.420 14.01501 38.24561 
1 1 1   -1    2   17 o  757.996   23.871 10187.71  639.522 10187.71  639.522   0.0000   0.0000  757.996   23.871  ?   ?       ?      ? 
1 1 1   -1    2   19 o  668.083   17.999  7923.28  367.733  7930.21  424.620  7902.48  735.478  669.276   17.950  666.890   31.203 2.385986 35.99778 
1 1 1   -1    2   21 o  232.948   12.789  973.527   90.555  986.022  104.565  936.042  181.109  236.097   12.531  229.798   22.298 6.298981 25.57803 
1 1 1   -1    2   23 f  816.035   25.103 11876.40  724.017 11830.36  1023.87 11922.44  1023.96  814.439   35.569  817.631   35.433 -3.191895 50.20561 
1 1 1   -1    2   25 o  1061.82   30.710 20102.57  1152.53 20102.57  1152.53   0.0000   0.0000  1061.82   30.710  ?   ?       ?      ? 
1 1 1   -1    2   27 o  370.188   17.310  2442.84  226.155  2291.27  319.837  2594.40  319.825  358.604   25.234  381.772   23.702 -23.16766 34.62036 
1 1 1   -1    2   29 o  512.339   19.542  4712.66  353.741  4859.94  500.259  4565.37  500.273  520.473   27.194  504.206   28.072 16.26718 39.08430 
1 1 1   -1    2   31 o  461.702   18.766  3856.88  305.105  3483.09  431.467  4230.73  431.501  438.795   27.821  484.610   25.192 -45.81476 37.53188 
1 1 1   -1    2   33 o  275.746   16.359  1372.48  159.277  1302.81  225.312  1442.08  225.192  268.600   23.733  282.893   22.522 -14.29330 32.71883 
1 1 1   -1    2   35 f  208.959   13.242  794.071   91.570  813.828  112.255  754.780  158.306  213.508   14.876  204.411   21.912 9.097046 26.48393 
1 1 1   -1    2   37 o  189.657   22.070  651.737  147.939  651.737  147.939   0.0000   0.0000  189.657   22.070  ?   ?       ?      ? 
1 1 1   -1    2   39 o  153.569   21.680  428.467  117.675  428.467  117.675   0.0000   0.0000  153.569   21.680  ?   ?       ?      ? 
1 1 1   -1    3    2 o  786.360   17.317 10956.23  481.184 11234.14  680.495 10678.31  680.499  796.359   24.177  776.360   24.800 19.99854 34.63420 
1 1 1   -1    3    4 o  482.705   13.417  4125.00  228.837  4005.70  323.617  4244.31  323.632  475.712   19.247  489.697   18.698 -13.98541 26.83439 
1 1 1   -1    3    6 o  779.894   20.788 10652.20  543.577 10353.94  665.746 11248.71  941.494  764.246   24.646  795.542   33.484 -31.29565 41.57658 
1 1 1   -1    3    8 o  733.894   20.428  9687.79  496.276  9910.47  607.819  9242.47  859.556  747.477   23.007  720.312   33.762 27.16516 40.85601 
1 1 1   -1    3   10 o  887.299   22.709 13909.07  674.639 14541.49  1168.52 13592.86  826.257  900.822   36.701  873.776   26.754 27.04596 45.41753 
1 1 1   -1    3   12 o  747.636   16.530  9959.01  435.427 10867.94  615.799  9050.16  615.774  782.031   22.279  713.240   24.427 68.79089 33.06080 
1 1 1   -1    3   14 o  676.784   15.701  8137.26  374.892  8697.98  530.191  7576.60  530.164  700.223   21.423  653.344   22.959 46.87946 31.40126 
1 1 1   -1    3   16 o  580.887   20.559  5994.54  422.072  5915.84  596.909  6073.23  596.891  577.054   29.267  584.720   28.882 -7.666199 41.11813 
1 1 1   -1    3   20 o  247.462   15.805  1085.70  138.164  1046.38  195.404  1125.01  195.383  242.967   22.754  251.957   21.940 -8.989960 31.60920 
1 1 1   -1    3   22 o  717.294   23.115  9158.95  586.005  9205.01  828.759  9112.90  828.715  719.110   32.607  715.477   32.771 3.632996 46.22940 
1 1 1   -1    3   24 o  844.695   25.782 12748.99  769.733 12701.27  1088.59 12796.71  1088.54  843.097   36.531  846.294   36.392 -3.197327 51.56465 
1 1 1   -1    3   26 o  603.022   29.719  6489.69  633.405   0.0000   0.0000  6489.69  633.405  ?   ?   603.022   29.719      ?      ? 
1 1 1   -1    3   28 o  351.624   24.077  2206.56  299.226   0.0000   0.0000  2206.56  299.226  ?   ?   351.624   24.077      ?      ? 
1 1 1   -1    3   38 o   77.542   21.051  112.444   59.175   0.0000   0.0000  112.444   59.175  ?   ?    77.542   21.051      ?      ? 
1 1 1   -1    3   40 o  361.779   24.770  2406.41  316.728   0.0000   0.0000  2406.41  316.728  ?   ?   361.779   24.770      ?      ? 
1 1 1   -1    3   42 o  203.842   22.294  764.023  160.624   0.0000   0.0000  764.023  160.624  ?   ?   203.842   22.294      ?      ? 
1 1 1   -1    3   44 o  153.078   22.009  435.656  119.080   0.0000   0.0000  435.656  119.080  ?   ?   153.078   22.009      ?      ? 
1 1 1   -1    4    1 o  497.014   13.515  4372.75  237.398  4333.80  335.728  4411.70  335.735  494.796   19.197  499.231   19.027 -4.434479 27.02912 
1 1 1   -1    4    3 o  1154.47   22.895 23674.11  934.185 23875.18  1321.13 23473.03  1321.14  1159.40   32.240  1149.54   32.516 9.855591 45.79005 
1 1 1   -1    4    5 o  1331.32   25.894 31557.47  1218.31 32023.02  1722.94 31091.91  1722.96  1341.21   36.346  1321.42   36.890 19.78784 51.78716 
1 1 1   -1    4    7 o  619.455   14.987  6803.83  328.116  6718.01  464.011  6889.67  464.041  615.535   21.328  623.375   21.061 -7.840088 29.97459 
1 1 1   -1    4    9 o  585.478   14.156  6093.79  292.145  5579.24  413.129  6608.46  413.182  560.610   20.850  610.347   19.153 -49.73639 28.31200 
1 1 1   -1    4   11 o  500.262   16.249  4420.28  271.646  4361.49  332.694  4537.87  470.511  495.776   18.986  504.747   26.374 -8.970490 32.49715 
1 1 1   -1    4   13 o  423.823   15.489  3175.68  219.108  3224.90  379.513  3151.08  268.349  425.985   25.206  421.660   18.006 4.325806 30.97714 
1 1 1   -1    4   15 o  1095.70   31.224 21482.96  1209.19 21580.83  1710.06 21385.10  1710.04  1098.22   44.056  1093.17   44.259 5.053955 62.44769 
1 1 1   -1    4   17 o  424.755   12.284  3194.09  184.393  3254.44  260.772  3133.75  260.770  428.775   17.207  420.736   17.536 8.039154 24.56822 
1 1 1   -1    4   19 o  ?   ?  -14.7561   0.1612 -14.7561   0.1612   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   -1    4   21 o  104.067   21.935  199.228   78.138   0.0000   0.0000  199.228   78.138  ?   ?   104.067   21.935      ?      ? 
1 1 1   -1    4   27 f  382.236   24.648  2604.95  332.993  2604.95  332.993   0.0000   0.0000  382.236   24.648  ?   ?       ?      ? 
1 1 1   -1    4   29 o  252.436   22.482  1139.42  200.589  1139.42  200.589   0.0000   0.0000  252.436   22.482  ?   ?       ?      ? 
1 1 1   -1    4   31 o  604.098   30.197  6641.76  644.761   0.0000   0.0000  6641.76  644.761  ?   ?   604.098   30.197      ?      ? 
1 1 1   -1    4   33 f   83.405   21.286  129.945   62.958   0.0000   0.0000  129.945   62.958  ?   ?    83.405   21.286      ?      ? 
1 1 1   -1    4   35 o  117.995   22.342  259.663   89.765   0.0000   0.0000  259.663   89.765  ?   ?   117.995   22.342      ?      ? 
1 1 1   -1    4   37 f  164.143   21.601  487.906  125.321   0.0000   0.0000  487.906  125.321  ?   ?   164.143   21.601      ?      ? 
1 1 1   -1    4   39 o  220.139   22.304  882.797  173.536   0.0000   0.0000  882.797  173.536  ?   ?   220.139   22.304      ?      ? 
1 1 1   -1    4   41 o  216.916   22.361  862.204  171.439   0.0000   0.0000  862.204  171.439  ?   ?   216.916   22.361      ?      ? 
1 1 1   -1    4   43 o  150.973   21.847  421.134  116.578   0.0000   0.0000  421.134  116.578  ?   ?   150.973   21.847      ?      ? 
1 1 1   -1    4   45 o  180.473   22.392  614.174  142.833   0.0000   0.0000  614.174  142.833  ?   ?   180.473   22.392      ?      ? 
1 1 1   -1    5    2 o  253.014   11.091  1133.04   99.168  1112.54  140.240  1153.53  140.249  250.723   15.826  255.306   15.542 -4.583862 22.18142 
1 1 1   -1    5    4 o  857.712   18.313 13060.61  555.160 12962.82  785.107 13158.40  785.123  854.487   25.996  860.938   25.802 -6.451538 36.62651 
1 1 1   -1    5    6 o  360.602   12.070  2303.84  153.837  2297.04  217.550  2310.64  217.566  360.069   17.094  361.135   17.045 -1.066803 24.14031 
1 1 1   -1    5    8 o  520.998   13.631  4819.67  250.758  4571.63  354.607  5067.75  354.645  507.528   19.768  534.469   18.774 -26.94150 27.26233 
1 1 1   -1    5   10 o  517.873   13.901  4762.36  254.257  4970.36  359.558  4554.33  359.588  529.238   19.222  506.509   20.086 22.72870 27.80180 
1 1 1   -1    5   12 o  407.429   12.340  2943.63  177.503  2783.80  251.001  3103.53  251.055  396.328   17.918  418.530   16.972 -22.20236 24.68005 
1 1 1   -1    5   14 o  805.591   24.855 11564.84  707.430 11927.51  1000.47 11202.20  1000.44  818.327   34.591  792.854   35.701 25.47339 49.70975 
1 1 1   -1    5   16 o  485.375   16.200  4308.12  257.390  3811.25  445.734  4556.69  315.266  463.414   27.214  507.336   17.582 -43.92188 32.39905 
1 1 1   -1    5   18 o  677.987   31.585  8169.11  756.872  8169.11  756.872   0.0000   0.0000  677.987   31.585  ?   ?       ?      ? 
1 1 1   -1    5   20 f  969.817   28.895 16801.10  989.943 17411.85  1399.96 16190.29  1400.02  987.635   40.105  951.998   41.608 35.63763 57.78974 
1 1 1   -1    5   22 o  485.965   26.787  4196.11  460.101  4196.11  460.101   0.0000   0.0000  485.965   26.787  ?   ?       ?      ? 
1 1 1   -1    5   24 o  396.908   17.683  2804.50  247.555  2597.39  350.103  3011.59  350.088  382.145   25.921  411.671   24.061 -29.52570 35.36660 
1 1 1   -1    5   26 o  532.559   19.850  5068.80  373.083  4751.84  527.625  5385.74  527.612  515.721   28.946  549.398   27.171 -33.67706 39.70078 
1 1 1   -1    5   28 o  588.549   20.894  6231.13  434.603  6154.33  614.639  6307.92  614.605  584.857   29.734  592.241   29.361 -7.383972 41.78750 
1 1 1   -1    5   30 o  456.984   18.693  3768.55  301.922  3741.75  427.002  3795.35  426.962  455.324   26.533  458.644   26.339 -3.319672 37.38623 
1 1 1   -1    5   32 f  361.264   17.275  2359.50  220.499  2430.49  311.858  2288.53  311.809  366.823   24.054  355.707   24.801 11.11603 34.54975 
1 1 1   -1    5   34 o  347.435   24.265  2190.50  297.973   0.0000   0.0000  2190.50  297.973  ?   ?   347.435   24.265      ?      ? 
1 1 1   -1    5   36 o  311.607   23.656  1765.23  260.533   0.0000   0.0000  1765.23  260.533  ?   ?   311.607   23.656      ?      ? 
1 1 1   -1    5   38 o  153.827   21.547  429.357  117.148   0.0000   0.0000  429.357  117.148  ?   ?   153.827   21.547      ?      ? 
1 1 1   -1    5   40 o  122.413   22.541  281.858   93.932   0.0000   0.0000  281.858   93.932  ?   ?   122.413   22.541      ?      ? 
1 1 1   -1    5   42 o  186.621   22.068  641.461  145.559   0.0000   0.0000  641.461  145.559  ?   ?   186.621   22.068      ?      ? 
1 1 1   -1    5   44 o  144.189   21.992  388.129  112.078   0.0000   0.0000  388.129  112.078  ?   ?   144.189   21.992      ?      ? 
1 1 1   -1    5   46 o   96.000   22.944  184.084   76.790   0.0000   0.0000  184.084   76.790  ?   ?    96.000   22.944      ?      ? 
1 1 1   -1    6    1 f  1092.88   21.970 21278.43  848.630 21225.02  1200.14 21331.84  1200.15  1091.49   31.109  1094.26   31.031 -2.765259 43.93984 
1 1 1   -1    6    3 o  332.651   11.815  1960.62  138.905  1982.85  196.437  1938.40  196.445  334.541   16.613  330.761   16.804 3.780212 23.62974 
1 1 1   -1    6    5 o  409.347   12.562  2971.50  181.701  3051.56  256.959  2891.44  256.968  414.881   17.523  403.814   18.004 11.06723 25.12426 
1 1 1   -1    6    7 o  714.020   16.245  9065.10  409.932  9197.83  579.721  8932.37  579.741  719.280   22.803  708.761   23.143 10.51892 32.48973 
1 1 1   -1    6    9 o  807.629   17.551 11604.28  500.909 11343.81  708.370 11864.78  708.414  798.504   25.099  816.754   24.540 -18.25037 35.10263 
1 1 1   -1    6   11 o  837.279   22.190 12497.58  618.689 12472.57  1071.52 12510.09  757.764  835.491   36.286  839.066   25.552 -3.575256 44.37967 
1 1 1   -1    6   13 f  282.684   22.819  1416.94  227.995   0.0000   0.0000  1416.94  227.995  ?   ?   282.684   22.819      ?      ? 
1 1 1   -1    6   15 o  350.058   15.428  2198.94  187.198  1704.60  264.581  2694.46  264.895  310.056   24.143  390.059   19.214 -80.00311 30.85597 
1 1 1   -1    6   17 o  961.124   23.402 16085.11  756.409 15367.77  926.375 17520.09  1310.23  930.450   28.169  991.797   37.377 -61.34717 46.80325 
1 1 1   -1    6   19 o  188.103   15.609  626.227  103.773  626.227  103.773   0.0000   0.0000  188.103   15.609  ?   ?       ?      ? 
1 1 1   -1    6   21 o  836.933   22.063 12566.67  612.474 12765.01  750.112 12169.94  1060.87  847.969   25.028  825.898   36.343 22.07141 44.12694 
1 1 1   -1    6   23 o  728.406   23.430  9472.07  603.091  9250.70  852.915  9693.44  852.884  719.807   33.525  737.005   32.742 -17.19733 46.86086 
1 1 1   -1    6   25 o  486.089   18.962  4212.58  325.715  4303.73  460.658  4121.45  460.603  491.394   26.523  480.784   27.105 10.60941 37.92353 
1 1 1   -1    6   27 o  266.749   15.847  1278.60  147.650  1502.41  208.870  1055.05  208.748  290.473   20.345  243.025   24.302 47.44780 31.69409 
1 1 1   -1    6   29 o  239.276   15.793  1025.89  133.561  1018.93  188.905  1032.85  188.864  238.453   22.414  240.100   22.256 -1.647171 31.58636 
1 1 1   -1    6   31 o  343.794   17.060  2132.81  207.266  2088.85  293.131  2176.77  293.107  340.176   24.380  347.412   23.871 -7.236023 34.12033 
1 1 1   -1    6   33 o  140.614   15.131  356.839   75.057  331.938  106.154  381.733  106.138  135.604   22.148  145.624   20.621 -10.01962 30.26208 
1 1 1   -1    6   35 o  118.847   15.523  261.576   63.385  218.397   89.622  304.789   89.658  107.592   24.159  130.102   19.498 -22.50978 31.04531 
1 1 1   -1    6   37 o  282.093   23.185  1447.78  231.164   0.0000   0.0000  1447.78  231.164  ?   ?   282.093   23.185      ?      ? 
1 1 1   -1    6   39 o  141.610   21.478  365.067  107.501   0.0000   0.0000  365.067  107.501  ?   ?   141.610   21.478      ?      ? 
1 1 1   -1    6   41 o  201.014   22.191  742.180  157.660   0.0000   0.0000  742.180  157.660  ?   ?   201.014   22.191      ?      ? 
1 1 1   -1    6   43 o  103.978   22.568  208.115   80.555   0.0000   0.0000  208.115   80.555  ?   ?   103.978   22.568      ?      ? 
1 1 1   -1    6   45 o   69.682   20.896   93.100   55.545   0.0000   0.0000   93.100   55.545  ?   ?    69.682   20.896      ?      ? 
1 1 1   -1    7    2 o  792.637   21.369 11212.91  564.231 11234.61  977.269 11202.06  691.042  791.846   34.918  793.429   24.642 -1.582886 42.73778 
1 1 1   -1    7    4 o  249.191   11.151  1100.80   98.176  1135.01  138.838  1066.58  138.846  253.076   15.522  245.306   16.014 7.769211 22.30187 
1 1 1   -1    7    6 o  187.749   13.230  626.394   82.688  622.267  143.204  628.458  101.278  187.162   21.648  188.337   15.215 -1.175430 26.45970 
1 1 1   -1    7    8 f  505.266   19.484  4548.08  347.542  4800.01  491.467  4296.08  491.529  519.375   26.773  491.156   28.315 28.21893 38.96787 
1 1 1   -1    7   10 o  515.948   19.338  4731.69  352.596  4645.87  498.585  4817.56  498.708  511.241   27.593  520.655   27.100 -9.414063 38.67540 
1 1 1   -1    7   12 o  899.943   24.577 14896.40  723.013 15789.45  885.484 13110.03  1252.36  943.153   26.563  856.733   41.358 86.41956 49.15392 
1 1 1   -1    7   14 o  911.829   23.110 14724.90  703.326 14608.57  861.384 14957.57  1218.22  907.341   26.860  916.318   37.615 -8.977783 46.22064 
1 1 1   -1    7   16 o  1084.01   26.665 20832.61  965.062 20630.05  1181.94 21237.76  1671.57  1077.53   31.035  1090.49   43.370 -12.95459 53.32980 
1 1 1   -1    7   18 o  982.107   20.228 17132.15  702.093 17410.34  992.868 16853.90  992.949  990.122   28.372  974.092   28.841 16.03058 40.45655 
1 1 1   -1    7   20 o  899.971   26.920 14461.56  856.308 14465.91  1210.87 14457.21  1211.13  900.109   38.061  899.833   38.081 0.2755737 53.84079 
1 1 1   -1    7   22 f  642.211   18.358  7262.53  394.536  7120.31  483.188  7547.04  683.409  633.453   21.581  650.969   29.703 -17.51611 36.71552 
1 1 1   -1    7   24 o  537.141   16.550  5059.03  298.101  5356.98  516.378  4910.09  365.079  548.340   26.644  525.943   19.639 22.39667 33.09990 
1 1 1   -1    7   26 o  112.728   15.158  231.570   58.936  265.693   83.401  197.533   83.297  122.229   19.305  103.228   23.374 19.00136 30.31537 
1 1 1   -1    7   28 f  256.187   15.927  1175.44  144.167  1210.89  203.907  1140.01  203.858  260.100   22.181  252.273   22.863 7.827499 31.85434 
1 1 1   -1    7   30 o  238.938   15.753  1026.86  132.889  1081.32  187.973  972.451  187.893  245.382   21.674  232.493   22.866 12.88933 31.50524 
1 1 1   -1    7   32 o  444.621   18.614  3595.86  292.465  3526.38  413.626  3665.32  413.588  440.199   26.585  449.042   26.059 -8.842712 37.22701 
1 1 1   -1    7   34 o  183.293   15.413  607.789   99.739  575.382  141.054  640.194  141.051  178.291   22.384  188.295   21.194 -10.00449 30.82590 
1 1 1   -1    7   36 o  196.637   15.508  701.164  107.713  729.853  152.356  672.495  152.303  200.763   21.471  192.512   22.384 8.251221 31.01681 
1 1 1   -1    7   38 o  347.876   17.275  2218.74  212.359  2267.44  300.361  2170.07  300.283  351.834   24.154  343.918   24.703 7.915771 34.54936 
1 1 1   -1    7   40 o  167.495   21.778  513.304  128.924   0.0000   0.0000  513.304  128.924  ?   ?   167.495   21.778      ?      ? 
1 1 1   -1    7   42 o   46.975   16.506   35.661   33.956   0.0000   0.0000   35.661   33.956  ?   ?    46.975   16.506      ?      ? 
1 1 1   -1    7   44 o  141.520   21.899  376.591  109.537   0.0000   0.0000  376.591  109.537  ?   ?   141.520   21.899      ?      ? 
1 1 1   -1    7   46 o  145.445   22.451  412.093  115.413   0.0000   0.0000  412.093  115.413  ?   ?   145.445   22.451      ?      ? 
1 1 1   -1    8    1 o  622.529   21.239  6881.83  467.315   0.0000   0.0000  6881.83  467.315  ?   ?   622.529   21.239      ?      ? 
1 1 1   -1    8    3 o  543.600   19.936  5264.79  383.034  5262.85  541.668  5266.74  541.716  543.499   28.198  543.701   28.190 -0.2022095 39.87196 
1 1 1   -1    8    5 o  688.420   22.785  8464.72  553.612  8980.09  782.906  7949.30  782.946  709.603   31.216  667.238   33.199 42.36450 45.57003 
1 1 1   -1    8    7 o  611.556   19.000  6827.19  381.310  7166.54  467.001  6148.43  660.466  635.690   20.785  587.423   31.811 48.26715 37.99960 
1 1 1   -1    8    9 o  452.688   12.972  3629.85  207.542  3599.90  293.493  3659.81  293.523  450.816   18.420  454.560   18.270 -3.744019 25.94340 
1 1 1   -1    8   11 o  1552.86   29.315 43049.86  1608.94 43114.61  2275.36 42985.11  2275.41  1554.04   41.426  1551.68   41.489 2.359985 58.62980 
1 1 1   -1    8   13 o  707.094   22.916  8888.57  572.646  8727.94  809.849  9049.20  809.837  700.667   32.702  713.522   32.112 -12.85449 45.83236 
1 1 1   -1    8   15 o  575.078   14.581  5859.75  296.270  6026.36  418.952  5693.08  419.026  583.277   20.322  566.880   20.914 16.39709 29.16108 
1 1 1   -1    8   17 o  674.812   15.560  8075.14  370.858  7730.78  524.405  8419.68  524.540  660.370   22.468  689.253   21.532 -28.88312 31.11938 
1 1 1   -1    8   19 o  595.892   14.995  6298.28  315.601  6565.58  446.266  6030.84  446.387  608.587   20.747  583.197   21.656 25.39014 29.99012 
1 1 1   -1    8   21 o  377.851   17.290  2536.27  230.910  2521.40  326.483  2551.15  326.629  376.738   24.519  378.965   24.386 -2.227081 34.58094 
1 1 1   -1    8   23 o  1387.00   26.986 34563.77  1322.28 35799.59  1869.95 33327.87  1870.02  1412.21   37.464  1361.79   38.852 50.42053 53.97234 
1 1 1   -1    8   25 o  215.737   13.366  832.011   95.766  841.370  117.279  813.283  165.898  217.787   15.236  213.688   21.966 4.098434 26.73235 
1 1 1   -1    8   27 o  499.722   19.388  4497.23  342.194  4305.07  483.946  4689.38  483.924  488.842   28.010  510.602   26.815 -21.75943 38.77596 
1 1 1   -1    8   29 o  390.024   17.608  2747.59  242.170  2958.04  342.523  2537.25  342.438  405.285   23.912  374.762   25.853 30.52267 35.21544 
1 1 1   -1    8   31 o  501.299   19.522  4579.77  345.812  4693.45  489.084  4466.13  489.021  507.713   27.255  494.885   27.958 12.82785 39.04446 
1 1 1   -1    8   33 o  194.342   15.432  682.697  105.948  706.857  149.875  658.565  149.790  197.856   21.432  190.828   22.209 7.028152 30.86336 
1 1 1   -1    8   35 o  309.197   16.708  1739.11  182.574  1763.76  258.193  1714.45  258.204  311.454   23.455  306.941   23.801 4.512726 33.41551 
1 1 1   -1    8   37 f  320.086   16.967  1874.65  191.776  1786.73  271.259  1962.50  271.164  312.315   24.574  327.856   23.401 -15.54056 33.93321 
1 1 1   -1    8   39 o  323.720   17.025  1929.69  194.507  1812.85  275.053  2046.56  275.096  313.508   24.823  333.932   23.308 -20.42419 34.05039 
1 1 1   -1    8   41 o  118.239   22.673  265.987   91.307   0.0000   0.0000  265.987   91.307  ?   ?   118.239   22.673      ?      ? 
1 1 1   -1    8   43 o   93.993   22.319  171.555   73.041   0.0000   0.0000  171.555   73.041  ?   ?    93.993   22.319      ?      ? 
1 1 1   -1    8   45 o  141.879   22.182  387.422  111.233   0.0000   0.0000  387.422  111.233  ?   ?   141.879   22.182      ?      ? 
1 1 1   -1    9    2 o  1099.94   44.435 21719.91  1727.47 21719.91  1727.47   0.0000   0.0000  1099.94   44.435  ?   ?       ?      ? 
1 1 1   -1    9    4 o  625.820   21.378  6968.14  472.853  7002.08  668.721  6934.20  668.708  627.354   30.159  624.286   30.306 3.068542 42.75528 
1 1 1   -1    9    6 o  429.541   15.741  3299.89  224.253  3188.34  388.406  3355.68  274.657  423.793   25.931  435.289   17.852 -11.49661 31.48170 
1 1 1   -1    9    8 o  659.128   15.467  7700.37  360.310  7614.98  509.539  7785.77  509.571  655.462   21.994  662.793   21.752 -7.330872 30.93403 
1 1 1   -1    9   10 o  278.658   11.438  1375.74  112.477  1464.00  159.060  1287.45  159.072  287.620   15.647  269.695   16.688 17.92548 22.87585 
1 1 1   -1    9   12 o  548.289   19.965  5336.33  386.893  5340.20  547.158  5332.47  547.141  548.488   28.224  548.090   28.244 0.3988037 39.92923 
1 1 1   -1    9   14 o  645.626   15.455  7387.33  352.622  7532.17  498.653  7242.46  498.712  651.974   21.640  639.278   22.072 12.69623 30.91020 
1 1 1   -1    9   16 o  170.705   10.950  516.887   65.853  564.205   93.085  469.477   93.175  178.555   14.750  162.854   16.188 15.70074 21.89961 
1 1 1   -1    9   18 o  127.325   12.230  282.908   52.235  274.184   63.964  300.375   90.505  124.462   14.540  130.188   19.669 -5.725288 24.46004 
1 1 1   -1    9   20 o  1000.08   19.595 17835.40  690.246 16141.52  976.050 19530.01  976.262  952.153   29.003  1048.01   26.356 -95.86115 39.18954 
1 1 1   -1    9   22 o  884.095   22.912 14181.99  669.219 13378.39  1158.88 14584.03  819.707  863.093   37.989  905.096   25.624 -42.00305 45.82318 
1 1 1   -1    9   24 o  950.932   24.870 16440.90  783.380 16725.56  959.377 15871.36  1357.03  966.751   28.077  935.113   41.059 31.63831 49.74089 
1 1 1   -1    9   26 o  515.415   13.698  4737.20  249.538  4722.00  352.850  4752.42  352.950  514.580   19.401  516.249   19.343 -1.668884 27.39625 
1 1 1   -1    9   28 o  382.220   17.585  2634.26  237.487  2563.15  335.876  2705.36  335.839  376.956   25.210  387.484   24.522 -10.52805 35.16908 
1 1 1   -1    9   30 o  440.451   18.442  3523.63  286.766  3712.36  405.597  3334.99  405.500  452.569   25.356  428.332   26.785 24.23776 36.88338 
1 1 1   -1    9   32 o  150.855   15.803  420.775   80.845  337.292  114.301  504.347  114.363  134.220   25.015  167.490   19.319 -33.26959 31.60600 
1 1 1   -1    9   34 o  294.122   16.517  1571.90  171.694  1555.28  242.822  1588.51  242.802  292.523   23.486  295.721   23.230 -3.197266 33.03364 
1 1 1   -1    9   36 o  271.956   16.290  1347.26  156.553  1373.96  221.409  1320.57  221.389  274.733   22.802  269.179   23.270 5.553711 32.57914 
1 1 1   -1    9   38 o  244.667   22.710  1095.24  196.386   0.0000   0.0000  1095.24  196.386  ?   ?   244.667   22.710      ?      ? 
1 1 1   -1   10    1 o  1773.09   33.269 56328.75  2084.92 56263.05  2948.52 56394.46  2948.54  1772.04   47.077  1774.14   47.022 -2.096680 66.53791 
1 1 1   -1   10    3 o  595.654   14.704  6287.22  309.535  6391.62  437.742  6182.81  437.754  600.613   20.621  590.694   20.968 9.918518 29.40834 
1 1 1   -1   10    5 o  386.455   15.096  2648.86  194.280  2653.78  237.941  2639.00  336.510  387.169   17.388  385.740   24.682 1.428802 30.19189 
1 1 1   -1   10    7 o  673.272   22.266  8058.81  529.608  7776.96  748.979  8340.66  748.979  661.427   32.038  685.116   30.930 -23.68860 44.53235 
1 1 1   -1   10    9 o  427.496   18.021  3242.21  272.187  3139.56  384.929  3344.86  384.931  420.703   25.887  434.290   25.077 -13.58765 36.04199 
1 1 1   -1   10   11 o  1520.83   35.363 41178.39  1796.68 42295.33  3111.94 40619.91  2200.48  1532.81   57.441  1508.84   41.262 23.96521 70.72520 
1 1 1   -1   10   13 o  769.623   17.110 10504.26  465.417 10583.73  658.170 10424.78  658.227  772.545   24.104  766.701   24.290 5.843628 34.22026 
1 1 1   -1   10   15 o  343.891   12.057  2094.91  146.454  2181.80  207.087  2007.97  207.147  351.042   16.691  336.740   17.405 14.30240 24.11429 
1 1 1   -1   10   17 o  716.124   19.989  9101.85  477.294  9169.56  826.642  9067.99  584.582  717.395   32.602  714.853   23.137 2.542236 39.97736 
1 1 1   -1   10   19 o  346.506   13.116  2163.12  156.731  2705.28  221.619  1620.64  221.684  390.788   16.045  302.224   20.753 88.56387 26.23248 
1 1 1   -1   10   21 f  660.201   31.260  7790.05  729.432  7790.05  729.432   0.0000   0.0000  660.201   31.260  ?   ?       ?      ? 
1 1 1   -1   10   23 o  338.978   10.741  2066.09  125.960  1579.83  177.932  2554.56  178.337  298.301   16.876  379.655   13.290 -81.35382 21.48123 
1 1 1   -1   10   25 o  239.037   13.697  1041.21  107.805  955.286  186.469  1084.35  132.124  231.049   22.834  247.025   15.133 -15.97617 27.39328 
1 1 1   -1   10   27 o  538.535   14.271  5196.84  271.311  5486.98  383.633  4906.52  383.750  553.784   19.600  523.286   20.749 30.49762 28.54236 
1 1 1   -1   10   29 o  273.888   16.220  1353.20  157.005  1335.09  222.060  1371.29  222.016  272.018   23.097  275.759   22.779 -3.740509 32.43990 
1 1 1   -1   10   31 o  343.656   17.133  2145.45  207.750  2004.97  293.793  2285.95  293.812  332.090   25.030  355.222   23.402 -23.13211 34.26608 
1 1 1   -1   10   33 o  162.970   21.573  480.525  124.262   0.0000   0.0000  480.525  124.262  ?   ?   162.970   21.573      ?      ? 
1 1 1   -1   10   39 o  230.071   22.609  974.410  183.848  974.410  183.848   0.0000   0.0000  230.071   22.609  ?   ?       ?      ? 
1 1 1   -1   10   41 o   96.348   15.863  179.171   53.067  165.482   75.105  192.818   74.990   92.472   23.058  100.224   21.791 -7.750999 31.72593 
1 1 1   -1   10   43 o  153.864   15.647  448.981   85.078  439.905  120.363  458.043  120.274  152.192   22.376  155.536   21.879 -3.343445 31.29471 
1 1 1   -1   10   45 o   89.135   22.530  161.825   71.015   0.0000   0.0000  161.825   71.015  ?   ?    89.135   22.530      ?      ? 
1 1 1   -1   11    2 o  542.838   13.995  5219.87  268.443  5086.21  379.621  5353.56  379.651  535.871   20.043  549.805   19.537 -13.93451 27.98972 
1 1 1   -1   11    4 o  448.105   12.970  3556.76  205.286  3704.22  290.317  3409.30  290.320  457.416   17.957  438.795   18.720 18.62082 25.94005 
1 1 1   -1   11    6 o  380.750   12.279  2566.67  165.211  2629.98  233.635  2503.34  233.652  385.455   17.149  376.045   17.580 9.410156 24.55888 
1 1 1   -1   11    8 o  569.920   14.414  5755.21  290.214  5949.94  410.415  5560.46  410.433  579.588   20.035  560.252   20.727 19.33557 28.82716 
1 1 1   -1   11   10 o  233.359   13.580  966.129  105.497  969.486  129.204  959.415  182.733  234.054   15.618  232.665   22.221 1.388824 27.16095 
1 1 1   -1   11   12 o  1068.32   30.607 20408.86  1155.70 20439.85  1634.42 20377.86  1634.40  1069.15   43.252  1067.50   43.318 1.641357 61.21420 
1 1 1   -1   11   14 o  497.884   19.155  4405.65  336.801  4198.88  476.308  4612.43  476.309  486.133   27.721  509.634   26.443 -23.50113 38.31052 
1 1 1   -1   11   16 o  371.306   17.241  2448.15  226.254  2417.24  319.980  2479.06  319.961  368.951   24.538  373.661   24.227 -4.710602 34.48259 
1 1 1   -1   11   18 o  1045.20   26.049 19493.38  908.159 19358.19  1112.25 19763.79  1573.02  1042.01   30.200  1048.39   42.451 -6.378174 52.09766 
1 1 1   -1   11   20 o  779.625   16.918 10824.43  465.704 10253.15  658.500 11396.07  658.710  758.887   24.550  800.363   23.286 -41.47565 33.83696 
1 1 1   -1   11   22 o  369.902   24.423  2442.76  319.308  2442.76  319.308   0.0000   0.0000  369.902   24.423  ?   ?       ?      ? 
1 1 1   -1   11   24 o  430.606   12.696  3302.99  193.222  3282.12  273.123  3323.90  273.393  429.235   18.003  431.977   17.906 -2.741577 25.39175 
1 1 1   -1   11   26 o  525.383   15.937  4807.46  282.557  4479.04  346.026  5464.68  489.497  500.330   19.567  550.436   25.161 -50.10529 31.87388 
1 1 1   -1   11   28 o   53.354   12.493   47.968   27.721   58.401   39.116   37.440   39.292   57.168   17.617   49.540   17.719 7.628807 24.98631 
1 1 1   -1   11   34 o  219.379   22.252  873.933  172.535  873.933  172.535   0.0000   0.0000  219.379   22.252  ?   ?       ?      ? 
1 1 1   -1   11   36 o  204.546   15.703  765.070  113.060  687.797  159.870  842.384  159.912  193.855   23.333  215.236   21.021 -21.38097 31.40529 
1 1 1   -1   11   38 o  111.671   15.978  236.673   60.896  243.596   86.132  229.755   86.107  113.431   22.279  109.910   22.908 3.521530 31.95519 
1 1 1   -1   11   40 o  123.057   16.173  289.409   67.743  280.423   95.873  298.369   95.734  120.954   23.271  125.160   22.467 -4.206383 32.34653 
1 1 1   -1   11   42 o   62.606   13.850   72.613   34.462   57.555   48.968   87.391   48.510   57.567   19.844   67.646   19.326 -10.07914 27.70026 
1 1 1   -1   11   44 o   89.964   15.903  163.685   50.450  169.870   71.441  157.532   71.255   91.766   22.255   88.162   22.724 3.604263 31.80680 
1 1 1   -1   12    1 o  585.411   14.511  6072.58  300.116  5864.04  424.412  6281.14  424.443  575.332   20.871  595.490   20.166 -20.15839 29.02217 
1 1 1   -1   12    3 f  736.022   16.590  9605.25  431.450  9867.83  610.157  9342.66  610.169  746.115   23.137  725.928   23.781 20.18793 33.17973 
1 1 1   -1   12    5 o  729.340   16.492  9430.70  425.077  9592.49  601.142  9268.91  601.158  735.616   23.121  723.063   23.523 12.55280 32.98345 
1 1 1   -1   12    7 o  176.639   10.631  553.609   66.103  496.100   93.465  611.163   93.502  167.424   15.795  185.854   14.234 -18.43001 21.26227 
1 1 1   -1   12    9 o  1056.85   21.364 19853.31  798.001 19627.89  1128.52 20078.75  1128.57  1050.81   30.385  1062.88   30.042 -12.06982 42.72890 
1 1 1   -1   12   11 o  294.994   14.087  1547.13  138.225  1557.22  169.290  1526.94  239.412  296.580   16.150  293.409   23.086 3.170593 28.17430 
1 1 1   -1   12   13 o  732.606   16.560  9525.19  428.777  9629.77  606.352  9420.58  606.412  736.645   23.289  728.566   23.549 8.078979 33.12005 
1 1 1   -1   12   15 o  386.853   15.399  2692.56  196.996  2764.24  241.265  2549.19  341.222  394.981   17.282  378.726   25.491 16.25494 30.79735 
1 1 1   -1   12   17 o  542.079   19.916  5235.20  381.570  5245.28  539.638  5225.12  539.604  542.605   28.138  541.553   28.191 1.052246 39.83106 
1 1 1   -1   12   19 o  575.807   20.558  5931.20  417.748  5556.48  590.770  6305.96  590.799  557.393   29.987  594.220   28.130 -36.82660 41.11619 
1 1 1   -1   12   21 o  165.425   13.104  509.555   70.295  425.546  121.570  551.750   86.159  154.467   22.268  176.383   13.821 -21.91603 26.20784 
1 1 1   -1   12   23 o   79.839   12.864  118.593   34.117  114.006   58.476  120.960   42.009   78.486   20.760   81.192   15.197 -2.705795 25.72822 
1 1 1   -1   12   25 o  227.981   22.196  933.561  178.850  933.561  178.850   0.0000   0.0000  227.981   22.196  ?   ?       ?      ? 
1 1 1   -1   12   27 o  131.964   21.200  313.248   98.882  313.248   98.882   0.0000   0.0000  131.964   21.200  ?   ?       ?      ? 
1 1 1   -1   12   29 o  513.399   19.681  4740.62  357.132  4740.62  357.132   0.0000   0.0000  513.399   19.681  ?   ?       ?      ? 
1 1 1   -1   12   31 o  257.440   16.145  1202.63  146.827  1159.49  207.689  1245.72  207.602  252.700   23.253  262.180   22.403 -9.479507 32.28976 
1 1 1   -1   12   33 o  230.355   15.816  964.999  128.471  1038.79  181.733  891.289  181.639  239.411   21.477  221.298   23.223 18.11281 31.63130 
1 1 1   -1   12   35 o  147.080   21.530  393.781  111.924   0.0000   0.0000  393.781  111.924  ?   ?   147.080   21.530      ?      ? 
1 1 1   -1   12   37 o  132.310   15.205  320.405   71.093  313.297  100.550  327.511  100.530  130.790   21.751  133.831   21.253 -3.040543 30.41083 
1 1 1   -1   12   39 o  202.316   15.809  759.909  112.699  825.581  159.434  694.326  159.325  211.490   21.329  193.141   23.339 18.34883 31.61732 
1 1 1   -1   12   41 o  152.980   15.574  440.952   83.947  478.893  118.805  403.120  118.635  159.980   21.011  145.980   22.993 13.99988 31.14719 
1 1 1   -1   12   43 o   78.366   14.829  121.898   42.251  142.916   60.099  101.357   59.413   84.995   20.287   71.738   21.633 13.25640 29.65755 
1 1 1   -1   13    2 o  310.402   11.644  1705.84  127.720  1747.26  180.611  1664.42  180.636  314.177   16.265  306.626   16.668 7.550262 23.28856 
1 1 1   -1   13    4 o   79.813   10.971  116.709   29.826  124.038   42.175  109.377   42.186   82.439   15.028   77.187   15.989 5.252235 21.94296 
1 1 1   -1   13    6 o  604.411   14.770  6476.65  315.383  6250.46  445.998  6702.89  446.041  593.822   21.250  615.000   20.520 -21.17810 29.54031 
1 1 1   -1   13    8 o  1425.49   27.462 36292.02  1383.46 36874.35  1956.49 35709.68  1956.53  1437.05   38.520  1413.94   39.150 23.11658 54.92301 
1 1 1   -1   13   10 o  544.510   19.930  5271.70  383.556  5237.63  542.437  5305.78  542.422  542.739   28.277  546.280   28.093 -3.541199 39.86019 
1 1 1   -1   13   12 o  1084.44   21.749 20948.38  833.525 20595.14  1178.74 21301.66  1178.82  1075.22   31.017  1093.66   30.496 -18.43262 43.49804 
1 1 1   -1   13   14 o  443.122   13.072  3491.01  203.889  3853.61  288.335  3128.37  288.352  466.275   17.496  419.968   19.426 46.30673 26.14341 
1 1 1   -1   13   16 o  510.836   13.646  4632.63  246.302  4496.50  348.270  4768.83  348.377  503.295   19.578  518.377   19.014 -15.08252 27.29206 
1 1 1   -1   13   18 o  557.104   17.565  5558.80  325.262  5467.92  563.206  5604.28  398.421  552.780   28.827  561.428   20.078 -8.647949 35.13002 
1 1 1   -1   13   20 o  219.626   22.013  861.018  170.874  861.018  170.874   0.0000   0.0000  219.626   22.013  ?   ?       ?      ? 
1 1 1   -1   13   24 o  347.957   17.040  2182.45  209.548  2148.42  296.092  2216.59  296.601  345.192   24.269  350.723   23.927 -5.531342 34.08034 
1 1 1   -1   13   26 o  260.590   11.198  1212.65  103.074  1163.47  145.577  1262.09  145.960  255.240   16.137  265.940   15.528 -10.70018 22.39506 
1 1 1   -1   13   28 o  307.772   11.352  1694.38  123.412  1623.00  174.178  1766.34  174.886  301.191   16.362  314.353   15.740 -13.16241 22.70397 
1 1 1   -1   13   30 o  233.895   11.733  984.581   96.409  1102.37  135.912  865.284  136.777  248.245   15.490  219.544   17.627 28.70001 23.46593 
1 1 1   -1   13   32 o  368.756   17.557  2485.94  228.709  2398.06  323.454  2573.80  323.434  362.014   25.279  375.498   24.370 -13.48380 35.11336 
1 1 1   -1   13   34 o  132.137   14.618  333.553   61.437  287.654  104.982  357.459   75.766  123.100   24.983  141.173   15.184 -18.07370 29.23520 
1 1 1   -1   13   36 o  214.498   13.988  821.652  100.844  888.482  174.333  788.045  123.627  220.048   22.415  208.949   16.740 11.09868 27.97613 
1 1 1   -1   13   38 o  239.817   16.161  1068.85  136.630  984.510  193.192  1153.24  193.256  229.866   23.779  249.768   21.891 -19.90228 32.32153 
1 1 1   -1   13   40 o  196.993   15.931  731.118  110.809  695.394  156.724  766.826  156.691  191.862   23.111  202.124   21.933 -10.26225 31.86237 
1 1 1   -1   13   42 o  184.651   16.048  661.433  104.727  672.339  148.183  650.550  148.029  186.311   22.503  182.991   22.887 3.319946 32.09696 
1 1 1   -1   13   44 o   83.040   15.713  142.796   47.098  152.290   66.755  133.387   66.459   85.900   21.916   80.180   22.522 5.719856 31.42526 
1 1 1   -1   14    1 o  301.898   11.549  1613.79  123.231  1617.65  174.267  1609.93  174.282  302.260   16.312  301.536   16.353 0.7235413 23.09772 
1 1 1   -1   14    3 o  732.697   16.542  9526.87  428.290  9757.99  605.684  9295.73  605.704  741.622   23.107  723.772   23.678 17.84998 33.08416 
1 1 1   -1   14    5 o  428.554   12.781  3254.88  193.493  3373.28  273.637  3136.47  273.645  436.371   17.742  420.737   18.402 15.63431 25.56155 
1 1 1   -1   14    7 f  1028.87   20.942 18838.48  761.534 18913.85  1076.95 18763.10  1076.99  1030.94   29.556  1026.79   29.676 4.145996 41.88350 
1 1 1   -1   14    9 o  520.562   17.127  4886.85  294.612  4601.10  510.212  5029.78  360.850  508.478   28.390  532.646   19.168 -24.16718 34.25437 
1 1 1   -1   14   11 o  449.497   13.123  3585.08  208.264  3773.32  294.497  3396.76  294.563  461.349   18.061  437.646   19.043 23.70248 26.24537 
1 1 1   -1   14   13 o  292.296   13.817  1585.76  131.072  1330.46  226.790  1713.80  160.612  273.549   23.457  311.044   14.610 -37.49503 27.63445 
1 1 1   -1   14   15 o  337.216   16.659  2025.18  198.481  1961.11  280.445  2089.47  280.946  331.833   23.912  342.598   23.202 -10.76550 33.31778 
1 1 1   -1   14   17 o  443.468   18.451  3517.59  289.172  3574.93  408.799  3460.17  409.103  447.130   25.868  439.805   26.318 7.325470 36.90208 
1 1 1   -1   14   19 o  543.592   20.013  5271.54  384.506  5271.54  384.506   0.0000   0.0000  543.592   20.013  ?   ?       ?      ? 
1 1 1   -1   14   21 o  314.332   11.754  1760.83  130.578  1786.84  184.586  1734.78  184.744  316.676   16.492  311.988   16.754 4.688049 23.50875 
1 1 1   -1   14   23 o  446.142   18.556  3604.59  292.609  3596.38  413.511  3612.82  414.112  445.628   26.254  446.655   26.232 -1.026215 37.11292 
1 1 1   -1   14   25 o   92.442   12.489  149.773   37.748  130.981   46.220  187.416   65.416   84.267   16.106  100.617   19.093 -16.35042 24.97885 
1 1 1   -1   14   27 o  103.004   14.789  198.544   52.816  262.840   74.784  134.561   74.602  121.088   17.474   84.921   23.865 36.16654 29.57796 
1 1 1   -1   14   29 o  244.071   13.790  1067.06  112.630  1092.99  194.197  1053.92  138.258  245.552   22.376  242.591   16.125 2.961243 27.58062 
1 1 1   -1   14   31 o  194.696   13.077  669.573   85.527  641.906  104.734  724.954  148.179  189.293   15.654  200.099   20.952 -10.80554 26.15405 
1 1 1   -1   14   33 o   91.714   11.649  154.403   36.784  163.626   50.698  144.152   53.451   95.525   15.016   87.902   17.814 7.623329 23.29877 
1 1 1   -1   14   35 o  148.956   13.309  390.779   67.494  447.035  114.626  360.922   83.505  156.501   20.723  141.410   16.708 15.09106 26.61893 
1 1 1   -1   14   37 o  198.115   14.146  692.088   95.013  820.570  163.845  626.992  116.624  210.658   22.006  185.573   17.781 25.08510 28.29150 
1 1 1   -1   14   39 o  118.459   16.224  271.938   65.474  271.521   92.540  272.355   92.649  118.364   22.949  118.554   22.940 -0.1897888 32.44820 
1 1 1   -1   14   41 o   74.197   14.946  107.573   42.885   67.795   60.959  146.550   60.342   62.069   22.084   86.325   20.145 -24.25607 29.89176 
1 1 1   -1   14   43 o  151.521   16.393  468.272   84.253  554.250  119.418  383.057  118.887  168.480   20.054  134.563   25.937 33.91663 32.78590 
1 1 1   -1   15    2 o  1457.40   28.091 38079.37  1445.86 39813.54  2044.75 36345.17  2044.76  1491.07   38.799  1423.73   40.634 67.33289 56.18301 
1 1 1   -1   15    4 o  1060.64   21.542 20062.42  806.816 21046.71  1141.01 19078.12  1141.01  1086.90   29.702  1034.39   31.210 52.51294 43.08389 
1 1 1   -1   15    6 o  284.315   11.459  1433.79  114.954  1530.61  162.565  1336.95  162.574  293.951   15.647  274.680   16.746 19.27142 22.91830 
1 1 1   -1   15    8 o  424.120   18.126  3189.40  271.708   0.0000   0.0000  3189.40  271.708  ?   ?   424.120   18.126      ?      ? 
1 1 1   -1   15   10 o  996.894   28.932 17908.80  1018.71 17167.24  1440.54 18650.63  1440.81  975.846   41.766  1017.94   40.046 -42.09674 57.86306 
1 1 1   -1   15   12 o  1320.48   37.368 31979.74  1743.73 32641.75  2465.90 31317.60  2466.12  1334.66   52.274  1306.29   53.414 28.37622 74.73685 
1 1 1   -1   15   14 o  199.138   13.304  702.425   88.287  697.452  107.979  712.455  153.342  198.270   15.409  200.006   21.692 -1.735596 26.60763 
1 1 1   -1   15   16 o  292.037   11.820  1519.87  121.564  1666.64  171.847  1372.86  171.989  306.269   15.875  277.805   17.516 28.46375 23.63972 
1 1 1   -1   15   18 o  235.069   13.879  1007.68  107.432  927.012  185.921  1048.12  131.632  227.381   23.134  242.757   15.342 -15.37598 27.75887 
1 1 1   -1   15   20 o  246.686   11.041  1084.90   96.136  1019.88  135.864  1150.10  136.049  239.220   16.069  254.152   15.145 -14.93176 22.08152 
1 1 1   -1   15   22 o  205.173   11.118  751.424   80.550  787.364  113.794  715.332  114.036  210.142   15.321  200.205   16.116 9.937195 22.23607 
1 1 1   -1   15   24 o  184.335   13.321  582.525   83.281  706.793  144.037  520.119  102.073  198.173   20.564  170.496   16.939 27.67725 26.64199 
1 1 1   -1   15   26 o   63.594   10.988   74.309   27.292  116.277   37.643   27.804   39.626   80.778   13.185   46.410   17.582 34.36805 21.97637 
1 1 1   -1   15   28 o   35.192   8.8534   15.993   13.452   9.3912   16.498   29.088   23.237   29.016   11.254   41.367   13.670 -12.35112 17.70682 
1 1 1   -1   15   30 o  386.643   17.813  2737.22  243.416  2713.27  344.242  2761.18  344.242  384.890   25.305  388.396   25.077 -3.505615 35.62561 
1 1 1   -1   15   32 o   91.079   11.976  166.574   35.174  107.889   57.541  201.585   44.444   75.844   20.828  106.313   11.828 -30.46882 23.95245 
1 1 1   -1   15   34 o  104.570   15.892  207.967   57.005  220.778   80.568  195.124   80.666  108.012   21.855  101.128   23.077 6.884483 31.78349 
1 1 1   -1   15   36 o  191.113   15.713  676.917  105.928  630.141  149.802  723.698  149.808  184.188   23.011  198.038   21.403 -13.85020 31.42576 
1 1 1   -1   15   38 o  214.190   16.062  865.186  121.274  796.979  171.479  933.438  171.536  205.179   23.646  223.200   21.744 -18.02071 32.12381 
1 1 1   -1   15   40 o   88.557   15.790  156.702   49.459  147.211   69.879  166.229   70.014   85.740   22.701   91.373   21.953 -5.632561 31.57999 
1 1 1   -1   15   42 o   99.748   16.370  206.281   56.611  211.288   80.127  201.291   79.992  101.108   22.947   98.387   23.353 2.720634 32.74063 
1 1 1   -1   16    1 o  693.157   16.010  8539.19  392.227  8601.01  554.678  8477.38  554.708  695.680   22.559  690.634   22.725 5.046509 32.02024 
1 1 1   -1   16    3 o  777.980   21.014 10750.85  545.820 10964.19  945.337 10644.17  668.508  782.493   34.181  773.466   24.454 9.027710 42.02775 
1 1 1   -1   16    5 o  902.658   27.346 14671.46  871.207 15553.68  1232.03 13789.13  1232.11  930.313   37.469  875.004   39.840 55.30908 54.69155 
1 1 1   -1   16    7 o  210.784   15.290  794.572  112.876  671.567  159.545  917.839  159.715  194.256   23.237  227.311   19.879 -33.05516 30.58061 
1 1 1   -1   16    9 o  483.448   18.926  4152.15  323.394  4152.15  323.394   0.0000   0.0000  483.448   18.926  ?   ?       ?      ? 
1 1 1   -1   16   11 o  421.694   12.468  3166.21  185.219  2870.23  261.862  3462.54  262.018  401.824   18.438  441.563   16.789 -39.73895 24.93643 
1 1 1   -1   16   13 o   97.643   11.322  173.392   37.751  201.314   53.219  145.114   53.557  106.506   14.138   88.780   17.689 17.72543 22.64449 
1 1 1   -1   16   15 o  403.336   12.732  2903.84  181.048  3137.92  256.007  2669.64  256.075  419.761   17.256  386.911   18.726 32.84924 25.46375 
1 1 1   -1   16   17 o  238.684   10.991  1015.68   92.525  938.752  130.767  1092.80  130.932  229.555   16.117  247.813   14.949 -18.25845 21.98245 
1 1 1   -1   16   19 o  312.543   11.793  1744.10  130.189  1813.76  184.039  1674.32  184.193  318.856   16.330  306.230   17.018 12.62546 23.58572 
1 1 1   -1   16   21 o  411.052   12.560  3025.02  182.388  2919.02  257.841  3131.18  258.032  403.753   18.068  418.352   17.451 -14.59869 25.11941 
1 1 1   -1   16   23 o  335.885   12.190  2024.49  144.286  2200.76  203.955  1847.89  204.149  350.748   16.452  321.021   17.993 29.72754 24.38033 
1 1 1   -1   16   25 o  139.857   13.214  356.564   61.066  366.280   74.814  337.167  105.703  143.196   14.782  136.518   21.907 6.677963 26.42754 
1 1 1   -1   16   27 o  117.483   12.747  262.591   48.813  355.473   68.288  165.548   69.801  141.126   13.691   93.840   21.506 47.28599 25.49355 
1 1 1   -1   16   29 o  280.397   14.093  1414.29  131.878  1398.33  161.514  1446.22  228.428  279.085   16.374  281.709   22.942 -2.624420 28.18571 
1 1 1   -1   16   31 o  171.254   13.708  549.213   76.584  583.125   93.824  481.511  132.567  180.338   14.720  162.169   23.128 18.16927 27.41537 
1 1 1   -1   16   33 o  182.691   15.586  612.990  100.541  582.628  142.213  643.331  142.161  177.990   22.606  187.393   21.464 -9.403351 31.17250 
1 1 1   -1   16   35 o  206.246   16.093  794.299  116.148  671.834  164.279  916.702  164.238  189.449   24.534  223.043   20.834 -33.59390 32.18631 
1 1 1   -1   16   37 o   46.458   11.662   34.553   24.125   40.347   34.197   28.811   34.041   48.612   16.589   44.303   16.396 4.309242 23.32420 
1 1 1   -1   16   39 o   68.591   14.465   91.250   37.958   78.227   53.651  104.301   53.709   64.271   20.744   72.911   20.164 -8.639915 28.92938 
1 1 1   -1   16   41 o   55.048   18.453   56.576   42.307   0.0000   0.0000   56.576   42.307  ?   ?    55.048   18.453      ?      ? 
1 1 1   -1   17    4 o  521.214   19.926  4904.66  362.180  5812.83  512.215  3996.60  512.185  570.509   25.402  471.918   30.707 98.59015 39.85223 
1 1 1   -1   17    6 o  460.751   13.130  3774.67  213.818  3767.47  302.360  3781.88  302.409  460.309   18.585  461.193   18.552 -0.8841858 26.25959 
1 1 1   -1   17    8 o  240.422   15.818  1037.32  133.277  1191.49  188.513  883.261  188.451  258.557   20.628  222.286   23.987 36.27182 31.63669 
1 1 1   -1   17   10 o  511.876   13.651  4671.75  246.846  4494.18  349.044  4849.42  349.141  502.060   19.670  521.693   18.935 -19.63379 27.30280 
1 1 1   -1   17   12 o  389.967   12.347  2710.35  170.085  2604.65  240.481  2816.16  240.593  382.294   17.798  397.639   17.119 -15.34421 24.69434 
1 1 1   -1   17   14 o  592.999   14.638  6300.63  306.468  5964.45  433.333  6637.05  433.488  576.955   21.250  609.044   20.138 -32.08838 29.27608 
1 1 1   -1   17   16 o  277.216   11.623  1371.82  113.752  1444.60  160.786  1298.88  160.953  284.654   15.981  269.779   16.880 14.87491 23.24513 
1 1 1   -1   17   18 o  334.432   11.996  1999.34  141.717  2072.37  200.369  1926.23  200.468  340.614   16.644  328.249   17.279 12.36539 23.99116 
1 1 1   -1   17   20 o   58.424   9.9228   63.187   20.492   47.445   28.675   79.616   29.295   51.106   14.936   65.742   13.068 -14.63593 19.84557 
1 1 1   -1   17   22 o  300.989   11.342  1626.90  119.876  1414.70  169.373  1839.90  169.689  281.008   17.053  320.970   14.958 -39.96210 22.68363 
1 1 1   -1   17   24 o   96.402   11.805  157.186   37.746  132.744   45.742  209.349   66.823   84.803   15.844  108.001   17.506 -23.19775 23.61082 
1 1 1   -1   17   26 o  174.242   11.428  551.236   69.121  662.615   97.144  437.025   98.371  192.572   14.273  155.911   17.851 36.66084 22.85545 
1 1 1   -1   17   28 o  188.832   11.112  642.757   73.746  709.718  103.342  573.273  105.271  199.080   14.687  178.584   16.678 20.49635 22.22301 
1 1 1   -1   17   30 o   91.623   11.858  157.660   36.860  192.364   50.877  119.321   53.475  103.639   13.889   79.607   19.223 24.03259 23.71561 
1 1 1   -1   17   32 o  175.495   10.454  553.917   64.544  485.845   89.773  626.755   92.862  164.190   15.470  186.801   14.065 -22.61082 20.90769 
1 1 1   -1   17   34 o  123.735   13.695  286.549   54.523  290.289   66.761  279.060   94.481  126.741   14.903  120.730   22.981 6.011604 27.39057 
1 1 1   -1   17   36 o  187.408   22.371  662.373  148.178   0.0000   0.0000  662.373  148.178  ?   ?   187.408   22.371      ?      ? 
1 1 1   -1   18    1 o  344.283   11.993  2109.78  145.804  2211.36  206.190  2008.19  206.206  352.631   16.543  335.935   17.367 16.69662 23.98542 
1 1 1   -1   18    3 f  406.519   15.682  2994.06  210.747  3071.80  258.112  2838.57  365.023  415.408   17.580  397.629   25.973 17.77948 31.36310 
1 1 1   -1   18    5 o  715.036   23.463  9284.18  592.798  9033.27  838.339  9535.10  838.347  705.108   33.639  724.964   32.718 -19.85669 46.92606 
1 1 1   -1   18    7 o  735.073   23.926  9842.44  621.600  9770.67  879.081  9914.21  879.068  732.310   33.964  737.835   33.709 -5.524841 47.85194 
1 1 1   -1   18    9 o   83.124   12.493  141.414   34.528   79.230   59.388  173.166   42.437   67.473   21.830   98.775   12.156 -31.30132 24.98609 
1 1 1   -1   18   11 o  541.016   14.080  5239.75  269.143  5080.80  380.574  5398.77  380.678  532.703   20.213  549.330   19.607 -16.62677 28.16015 
1 1 1   -1   18   13 o  236.620   11.007  997.910   92.042  981.286  130.072  1014.58  130.263  234.630   15.685  238.609   15.446 -3.978424 22.01342 
1 1 1   -1   18   15 o  129.743   10.997  301.875   50.039  343.624   70.611  259.762   70.920  138.889   14.384  120.596   16.639 18.29295 21.99422 
1 1 1   -1   18   17 o  356.969   11.983  2281.47  150.959  2135.80  213.385  2427.41  213.591  345.414   17.479  368.523   16.398 -23.10916 23.96668 
1 1 1   -1   18   19 o  298.855   11.631  1598.02  122.852  1594.29  173.651  1601.76  173.827  298.503   16.459  299.207   16.437 -0.7038879 23.26117 
1 1 1   -1   18   21 o  427.034   13.034  3278.92  196.522  3447.84  277.861  3109.84  277.986  438.233   17.939  415.835   18.914 22.39734 26.06818 
1 1 1   -1   18   23 o  247.593   11.152  1098.02   97.507  1043.50  137.706  1152.85  138.085  241.350   16.143  253.837   15.391 -12.48701 22.30442 
1 1 1   -1   18   25 o  119.139   14.314  261.079   57.283  176.756   77.978  359.925   84.426   96.696   23.128  141.583   16.871 -44.88651 28.62732 
1 1 1   -1   18   27 o  434.494   12.751  3405.77  195.802  3429.88  276.337  3381.46  277.479  436.089   17.928  432.900   18.135 3.189819 25.50129 
1 1 1   -1   18   29 o  247.435   16.118  1123.43  140.793  1063.12  199.085  1183.78  199.138  240.538   23.417  254.332   22.153 -13.79422 32.23540 
1 1 1   -1   18   31 o   64.677   11.761   82.138   27.663   51.863   44.129  101.738   35.506   55.285   18.845   74.069   14.077 -18.78402 23.52235 
1 1 1   -1   18   33 o  243.341   15.253  1093.10  129.878  899.221  177.572  1316.13  190.455  219.520   22.887  267.162   20.170 -47.64174 30.50588 
1 1 1   -1   18   37 o   57.070   18.713   60.323   43.574   60.323   43.574   0.0000   0.0000   57.070   18.713  ?   ?       ?      ? 
1 1 1   -1   18   39 o  127.182   16.719  333.160   73.228  291.731  103.651  374.445  103.471  116.905   25.778  137.459   21.297 -20.55339 33.43801 
1 1 1   -1   19    2 o  279.517   11.443  1392.65  112.971  1450.91  159.753  1334.38  159.777  285.415   15.836  273.620   16.521 11.79547 22.88545 
1 1 1   -1   19    4 o  129.284   10.580  297.552   48.332  304.891   68.312  290.195   68.392  130.893   14.766  127.676   15.156 3.217087 21.15963 
1 1 1   -1   19    6 o  447.952   16.079  3616.41  239.468  3578.54  414.720  3635.35  293.305  444.881   26.375  451.023   18.399 -6.141663 32.15850 
1 1 1   -1   19    8 o  221.596   13.230  860.944   98.538  824.169  120.675  934.527  170.701  215.010   15.880  228.181   21.166 -13.17101 26.46033 
1 1 1   -1   19   10 f  291.145   16.402  1528.16  168.725  1484.27  238.608  1572.05  238.617  286.879   23.532  295.410   22.854 -8.530487 32.80343 
1 1 1   -1   19   12 o  372.347   17.461  2509.78  229.761  2554.02  324.965  2465.56  324.898  375.707   24.472  368.987   24.912 6.719604 34.92140 
1 1 1   -1   19   14 o  146.136   12.934  372.994   63.717  415.243  110.232  351.796   78.082  151.923   20.529  140.349   15.741 11.57408 25.86896 
1 1 1   -1   19   16 o  202.379   10.708  734.706   76.028  632.324  107.406  837.526  107.635  188.037   16.161  216.720   14.052 -28.68326 21.41552 
1 1 1   -1   19   18 o  135.781   10.585  329.367   50.796  323.412   71.672  335.376   72.001  134.537   15.073  137.024   14.867 -2.486206 21.17098 
1 1 1   -1   19   20 o  418.401   12.700  3146.24  187.701  3019.44  265.346  3273.25  265.552  409.823   18.319  426.980   17.596 -17.15762 25.40093 
1 1 1   -1   19   22 o  232.715   11.036  969.844   90.748  944.141  128.175  995.677  128.501  229.586   15.796  235.844   15.416 -6.257858 22.07128 
1 1 1   -1   19   24 o   38.802   9.2027   25.101   14.714   24.541   19.176   25.903   22.946   37.871   12.414   39.734   13.589 -1.863132 18.40539 
1 1 1   -1   19   26 o  255.883   14.059  1183.74  120.274  1200.49  207.086  1175.21  147.747  256.174   22.872  255.592   16.355 0.5825348 28.11750 
1 1 1   -1   19   28 o  116.229   22.626  255.694   89.603  255.694   89.603   0.0000   0.0000  116.229   22.626  ?   ?       ?      ? 
1 1 1   -1   19   30 o  157.271   18.428  479.483   97.721  560.115  133.839  387.418  143.013  174.298   21.726  140.244   29.772 34.05432 36.85625 
1 1 1   -1   19   32 o  192.581   15.402  689.491  104.540  621.985  144.790  763.003  151.095  182.442   22.454  202.719   21.088 -20.27634 30.80404 
1 1 1   -1   19   34 o  110.747   12.368  234.268   46.119  266.827   62.392  195.050   68.476  120.943   14.596  100.551   19.972 20.39159 24.73683 
1 1 1   -1   19   36 f   49.552   12.082   42.403   25.932   32.510   36.431   52.564   36.921   45.836   16.962   53.268   17.210 -7.432053 24.16362 
1 1 1   -1   20    1 o  205.593   10.969  754.336   79.613  795.654  112.568  712.986  112.611  211.282   15.074  199.905   15.938 11.37717 21.93751 
1 1 1   -1   20    3 o  324.616   11.832  1882.72  135.688  1950.18  191.890  1815.27  191.895  330.495   16.427  318.737   17.034 11.75870 23.66446 
1 1 1   -1   20    5 o  139.626   14.200  375.089   61.782  302.116  106.862  411.726   75.719  127.205   24.658  152.047   14.090 -24.84175 28.40007 
1 1 1   -1   20    7 o  515.455   13.796  4768.58  251.274  4648.25  355.304  4888.98  355.406  508.849   19.756  522.060   19.261 -13.21127 27.59127 
1 1 1   -1   20    9 o  418.320   12.774  3135.44  188.853  3185.32  267.037  3085.54  267.120  421.695   17.916  414.945   18.214 6.750641 25.54868 
1 1 1   -1   20   11 o  124.813   10.266  279.651   44.807  232.620   63.232  327.085   63.502  114.109   15.678  135.518   13.258 -21.40871 20.53235 
1 1 1   -1   20   13 o  192.758   13.989  694.058   87.756  741.698  107.476  598.766  152.005  203.808   14.920  181.708   23.668 22.10037 27.97837 
1 1 1   -1   20   15 o  303.736   13.851  1615.49  141.805  1517.42  173.661  1811.73  245.651  291.003   16.884  316.470   21.962 -25.46747 27.70196 
1 1 1   -1   20   17 o  247.443   15.979  1110.48  139.729  1129.61  197.668  1091.37  197.544  249.627   22.404  245.259   22.789 4.368561 31.95721 
1 1 1   -1   20   19 o  315.915   14.489  1785.98  153.132  1858.52  265.082  1749.65  187.601  319.596   23.467  312.235   16.999 7.360992 28.97729 
1 1 1   -1   20   21 o  133.460   14.339  357.418   58.363  252.064  100.506  411.019   71.689  115.198   25.370  151.721   13.369 -36.52285 28.67713 
1 1 1   -1   20   23 o  296.644   15.899  1608.65  165.895  1422.36  233.269  1799.29  235.977  278.724   23.679  314.564   21.225 -35.83994 31.79898 
1 1 1   -1   20   25 o  127.005   15.795  298.260   69.416  281.545   94.840  317.546  101.874  122.194   22.798  131.816   21.866 -9.621727 31.58925 
1 1 1   -1   20   27 o  305.279   13.764  1648.39  140.880  1546.61  171.535  1859.32  246.935  292.506   16.592  318.051   21.967 -25.54532 27.52869 
1 1 1   -1   20   29 o  185.618   10.511  623.506   68.106  503.703   94.559  752.647   98.175  166.720   16.047  204.517   13.582 -37.79700 21.02299 
1 1 1   -1   20   31 o  146.662   13.462  392.544   66.688  413.156  113.255  381.605   82.508  148.689   21.550  144.635   16.140 4.054169 26.92437 
1 1 1   -1   20   33 o  207.419   13.386  783.398   93.495  735.221  114.498  879.796  161.962  199.658   16.225  215.180   21.296 -15.52257 26.77246 
1 1 1   -1   20   35 o  126.179   16.635  323.039   71.452  330.426  101.086  315.663  101.009  127.853   23.225  124.506   23.822 3.346550 33.26976 
1 1 1   -1   21    2 o   80.461   10.813  118.319   29.994  136.408   42.428  100.245   42.409   87.493   13.720   73.430   16.715 14.06231 21.62518 
1 1 1   -1   21    4 o  262.106   11.352  1230.64  104.826  1343.79  148.251  1117.51  148.240  274.319   15.291  249.894   16.784 24.42485 22.70457 
1 1 1   -1   21    6 o  419.971   15.822  3201.93  220.624  3229.45  270.207  3146.89  382.137  424.344   18.016  415.599   26.015 8.745605 31.64425 
1 1 1   -1   21    8 f  246.970   11.146  1091.30   97.180  1029.73  137.378  1152.97  137.488  239.912   16.201  254.029   15.313 -14.11650 22.29267 
1 1 1   -1   21   10 o  352.262   11.958  2224.89  148.709  2101.13  210.232  2348.84  210.381  342.316   17.376  362.208   16.433 -19.89224 23.91620 
1 1 1   -1   21   12 o  232.766   11.248  970.709   92.383  1033.50  130.565  907.752  130.734  240.410   15.366  225.121   16.431 15.28909 22.49595 
1 1 1   -1   21   14 o  401.403   12.430  2894.14  176.245  2783.91  249.171  3004.51  249.326  393.630   17.910  409.176   17.240 -15.54507 24.85912 
1 1 1   -1   21   16 o  168.180   13.358  519.039   74.100  481.578  127.969  537.936   90.888  162.918   22.224  173.443   14.826 -10.52475 26.71534 
1 1 1   -1   21   18 o  243.886   22.610  1081.99  194.895  1081.99  194.895   0.0000   0.0000  243.886   22.610  ?   ?       ?      ? 
1 1 1   -1   21   22 o  219.747   22.375  882.826  173.783  882.826  173.783   0.0000   0.0000  219.747   22.375  ?   ?       ?      ? 
1 1 1   -1   21   24 o  165.032   15.510  502.586   89.389  416.173  126.333  589.226  126.499  150.202   23.797  179.862   19.899 -29.66031 31.02027 
1 1 1   -1   21   26 o  141.194   17.073  378.296   82.627  407.353  113.456  345.478  120.573  148.725   21.584  133.663   26.459 15.06119 34.14538 
1 1 1   -1   21   28 o  119.055   14.703  300.757   53.520  360.173   65.699  183.542   92.279  141.442   13.142   96.668   26.306 44.77341 29.40616 
1 1 1   -1   21   30 o  195.330   10.801  695.285   74.530  667.154  103.746  725.287  107.140  191.221   15.350  199.439   15.199 -8.218475 21.60197 
1 1 1   -1   21   32 o  173.493   13.540  563.180   78.327  553.519   95.920  582.515  135.698  173.092   15.679  173.894   22.078 -0.8017883 27.07916 
1 1 1   -1   21   34 o   78.377   15.382  125.152   44.339  110.496   62.778  139.741   62.631   73.811   22.233   82.942   21.265 -9.130959 30.76494 
1 1 1   -1   22    1 o  250.065   11.256  1119.00   99.466  1140.98  140.651  1097.01  140.683  252.553   15.757  247.577   16.077 4.975464 22.51121 
1 1 1   -1   22    3 o  222.445   11.055  885.563   86.834  841.854  122.785  929.296  122.819  216.885   16.017  228.006   15.241 -11.12109 22.10959 
1 1 1   -1   22    5 o  305.329   16.615  1693.85  179.174  1766.90  253.440  1620.87  253.340  312.093   22.976  298.565   24.007 13.52872 33.23012 
1 1 1   -1   22    7 o  251.192   11.224  1130.33   99.520  1195.23  140.710  1065.37  140.776  258.506   15.400  243.877   16.332 14.62918 22.44782 
1 1 1   -1   22    9 o  410.259   12.636  3024.33  183.196  3090.39  259.044  2958.24  259.112  414.816   17.668  405.702   18.070 9.114777 25.27255 
1 1 1   -1   22   11 o  336.664   14.749  2043.84  165.551  2066.73  286.522  2032.37  202.836  336.808   24.069  336.520   17.053 0.2883606 29.49799 
1 1 1   -1   22   13 o  319.005   17.020  1856.86  191.739  1940.76  270.970  1772.72  271.349  326.464   23.484  311.546   24.643 14.91800 34.04021 
1 1 1   -1   22   15 o  127.569   15.319  299.847   67.450  275.265   94.602  325.265   96.197  121.096   22.943  134.042   20.305 -12.94641 30.63746 
1 1 1   -1   22   17 o  154.573   13.497  436.586   68.792  445.378   83.985  418.661  119.920  157.620   15.076  151.526   22.392 6.093994 26.99362 
1 1 1   -1   22   19 o  142.277   10.840  363.793   54.457  380.168   76.720  347.165   77.312  145.567   14.912  138.987   15.738 6.580505 21.68058 
1 1 1   -1   22   21 o  217.851   11.166  854.539   85.962  868.675  121.459  840.352  121.677  219.693   15.642  216.008   15.937 3.685837 22.33108 
1 1 1   -1   22   23 o   57.178   11.425   61.247   24.840   77.833   33.562   41.157   36.938   64.486   15.007   49.871   17.233 14.61515 22.85099 
1 1 1   -1   22   25 o  350.382   14.854  2235.70  174.174  2173.16  213.287  2360.91  301.770  345.417   17.470  355.348   24.027 -9.930878 29.70715 
1 1 1   -1   22   27 f  144.775   21.857  392.014  111.842   0.0000   0.0000  392.014  111.842  ?   ?   144.775   21.857      ?      ? 
1 1 1   -1   22   29 f  229.881   13.956  1031.54  104.207  870.291  178.366  1115.10  128.400  212.723   23.723  247.040   14.705 -34.31714 27.91147 
1 1 1   -1   22   31 o   81.063   11.147  121.928   31.148   94.851   41.500  156.861   47.137   69.890   16.970   92.235   14.459 -22.34431 22.29466 
1 1 1   -1   22   33 o  125.081   16.877  324.713   71.887  321.815  101.854  327.589  101.473  124.381   24.039  125.782   23.694 -1.400726 33.75328 
1 1 1   -1   23    2 o  251.347   11.160  1131.47   99.126  1108.39  140.149  1154.58  140.222  248.747   15.941  253.946   15.623 -5.198456 22.31989 
1 1 1   -1   23    4 o  170.252   15.272  525.480   91.789  555.422  130.004  495.716  129.616  175.207   20.993  165.298   22.186 9.909256 30.54389 
1 1 1   -1   23    6 o  221.149   13.559  877.317  100.098  895.115  173.247  868.398  122.640  222.116   22.068  220.182   15.759 1.934219 27.11728 
1 1 1   -1   23    8 o   71.761   14.503   95.441   38.616   94.031   53.955   96.923   55.292   71.239   20.392   72.284   20.627 -1.044571 29.00547 
1 1 1   -1   23   10 o   88.132   15.888  147.037   50.090  173.309   70.305  119.953   71.383   95.964   21.285   80.300   23.593 15.66405 31.77559 
1 1 1   -1   23   12 o  166.305   12.261  476.782   68.932  430.642   84.238  570.300  119.926  154.969   15.379  177.640   19.101 -22.67062 24.52287 
1 1 1   -1   23   14 f  357.265   12.098  2299.25  152.717  2228.63  215.862  2370.03  216.086  351.670   17.367  362.861   16.849 -11.19092 24.19682 
1 1 1   -1   23   16 o  122.022   10.450  267.206   45.003  249.061   63.236  285.826   64.060  117.772   15.192  126.272   14.354 -8.500458 20.89997 
1 1 1   -1   23   18 o   61.457   10.788   70.431   23.322   66.503   32.310   74.703   33.698   59.692   15.257   63.222   15.256 -3.530220 21.57552 
1 1 1   -1   23   20 o  180.200   10.688  586.760   67.702  515.698   95.498  658.561   95.994  168.994   15.988  191.406   14.189 -22.41286 21.37687 
1 1 1   -1   23   22 o   70.928   10.491   92.211   25.996   68.182   35.664  119.449   37.971   60.326   16.328   81.529   13.177 -21.20323 20.98178 
1 1 1   -1   23   24 o   99.804   10.593  180.074   37.210  158.455   51.311  204.053   54.039   93.407   15.542  106.201   14.397 -12.79422 21.18547 
1 1 1   -1   23   26 f  299.764   12.699  1546.06  128.656  1292.28  156.393  2077.36  226.285  265.242   16.682  334.286   19.152 -69.04410 25.39880 
1 1 1   -1   23   28 f  101.110   13.823  197.468   45.531  199.693   55.764  193.018   78.860  104.134   15.151   98.086   23.124 6.048492 27.64572 
1 1 1   -1   23   30 o   65.510   13.833   83.539   35.430  108.758   50.269   58.645   49.945   73.981   19.095   57.038   20.020 16.94276 27.66602 
1 1 1   -1   24    1 o  184.230   21.949  617.573  142.919   0.0000   0.0000  617.573  142.919  ?   ?   184.230   21.949      ?      ? 
1 1 1   -1   24    3 o   49.991   17.457   40.279   37.956   0.0000   0.0000   40.279   37.956  ?   ?    49.991   17.457      ?      ? 
1 1 1   -1   24    5 f  236.146   16.981  1034.07  138.719  1267.71  195.960  799.381  196.397  264.211   20.984  208.081   26.704 56.13000 33.96278 
1 1 1   -1   24    7 o  459.436   15.824  3798.57  243.381  3691.85  297.955  4012.56  421.901  452.052   18.648  466.820   25.571 -14.76718 31.64838 
1 1 1   -1   24    9 o  119.394   10.268  256.204   43.074  223.584   60.675  289.346   61.159  111.608   15.381  127.179   13.606 -15.57064 20.53539 
1 1 1   -1   24   11 f   92.379   10.779  156.454   34.004  129.562   47.847  183.898   48.335   83.384   16.815  101.374   13.490 -17.98991 21.55784 
1 1 1   -1   24   13 o  169.686   10.633  518.637   63.466  459.841   89.558  577.953   89.953  159.845   15.852  179.527   14.176 -19.68141 21.26636 
1 1 1   -1   24   15 o  298.598   11.563  1611.94  121.651  1465.66  171.860  1758.85  172.223  284.714   17.078  312.482   15.594 -27.76801 23.12639 
1 1 1   -1   24   17 o  203.033   11.082  744.446   79.477  770.810  112.164  717.861  112.632  206.732   15.351  199.335   15.987 7.396729 22.16338 
1 1 1   -1   24   19 o  241.799   11.375  1060.70   97.026  1133.39  137.090  987.744  137.340  250.326   15.495  233.273   16.658 17.05269 22.74992 
1 1 1   -1   24   21 o  132.313   10.252  323.195   45.600  207.843   63.343  447.279   65.697  106.765   16.786  157.861   11.775 -51.09586 20.50402 
1 1 1   -1   24   23 o   82.639   13.904  128.671   38.821  143.430   64.843  120.425   48.467   85.848   21.436   79.431   17.715 6.417328 27.80818 
1 1 1   -1   24   25 o   70.152   11.558   93.793   28.038   88.365   37.857  100.389   41.729   67.962   16.022   72.343   16.664 -4.380592 23.11635 
1 1 1   -1   24   27 o  118.113   16.715  280.431   67.132  252.060   90.335  315.426  100.328  111.304   23.690  124.922   23.588 -13.61820 33.43039 
1 1 1   -1   24   29 o   44.419   10.310   29.604   18.665   15.471   22.981   57.000   31.995   34.517   13.312   54.321   15.748 -19.80338 20.62076 
1 1 1   -1   25    2 o  114.813   22.579  248.934   88.361  248.934   88.361   0.0000   0.0000  114.813   22.579  ?   ?       ?      ? 
1 1 1   -1   25    4 o  301.408   16.783  1673.46  178.171  1827.74  251.994  1519.24  251.951  315.887   22.570  286.930   24.844 28.95673 33.56549 
1 1 1   -1   25    6 o   53.635   11.359   53.655   23.159   39.209   39.227   61.384   28.693   49.875   17.719   57.395   14.218 -7.519901 22.71779 
1 1 1   -1   25    8 o  126.455   10.581  289.802   46.594  232.827   65.686  347.507   66.105  113.633   16.355  139.278   13.429 -25.64531 21.16158 
1 1 1   -1   25   10 o  160.578   10.848  464.606   61.521  483.425   86.740  445.557   87.269  163.923   14.971  157.232   15.703 6.690674 21.69653 
1 1 1   -1   25   12 o  123.108   10.609  273.224   46.058  250.751   64.797  296.172   65.479  117.901   15.550  128.315   14.438 -10.41406 21.21894 
1 1 1   -1   25   14 o   99.614   10.667  179.339   37.489  189.646   52.689  168.771   53.351  102.592   14.531   96.636   15.620 5.955215 21.33367 
1 1 1   -1   25   16 o  225.625   11.492  929.761   90.711  1077.67  128.209  781.503  128.360  244.198   14.854  207.052   17.540 37.14603 22.98486 
1 1 1   -1   25   18 o  139.160   10.752  351.429   52.866  340.211   74.501  362.806   75.028  136.876   15.400  141.443   15.008 -4.567535 21.50333 
1 1 1   -1   25   20 o   90.229   10.705  150.997   32.954  121.960   45.858  182.004   47.388   80.188   16.722  100.270   13.371 -20.08170 21.41060 
1 1 1   -1   25   22 o  103.087   14.299  194.894   48.564  252.695   82.832  164.617   59.949  113.856   21.368   92.318   19.006 21.53804 28.59791 
1 1 1   -1   25   24 o   68.511   11.269   89.674   26.754   78.786   36.234  102.726   39.671   63.898   16.062   73.123   15.810 -9.224934 22.53735 
1 1 1   -1   25   26 o  147.585   10.861  407.160   56.563  376.377   78.685  440.077   81.366  141.624   15.719  153.545   14.993 -11.92046 21.72287 
1 1 1   -1   26    1 o  136.061   10.697  333.580   51.443  333.690   72.619  333.469   72.885  136.088   15.098  136.033   15.159 0.5563354E-01 21.39479 
1 1 1   -1   26    3 o  336.652   15.415  2145.62  169.481  2262.73  207.595  1911.57  293.479  353.624   16.609  319.679   25.974 33.94553 30.83077 
1 1 1   -1   26    5 o  184.223   13.602  624.802   82.898  635.619  101.487  603.115  143.702  187.715   15.297  180.731   22.496 6.984161 27.20415 
1 1 1   -1   26    7 o  104.128   15.883  207.770   56.798  183.992   80.246  231.641   80.402   97.737   23.516  110.519   21.356 -12.78198 31.76567 
1 1 1   -1   26    9 o  212.093   15.882  833.836  119.012  807.560  168.284  860.126  168.331  208.588   22.826  215.598   22.090 -7.009277 31.76500 
1 1 1   -1   26   11 o  214.265   13.855  855.302   97.944  807.670  169.436  879.206  120.031  208.164   23.029  220.366   15.411 -12.20213 27.71001 
1 1 1   -1   26   13 o  162.149   10.848  476.929   62.168  473.017   87.617  480.896   88.224  161.477   15.352  162.822   15.331 -1.345123 21.69569 
1 1 1   -1   26   15 o   59.400   9.9117   64.613   22.593   26.184   31.649  104.541   32.261   42.571   15.798   76.229   11.974 -33.65779 19.82336 
1 1 1   -1   26   17 o  148.632   10.970  404.307   57.555  426.829   81.345  381.729   81.444  152.927   15.050  144.336   15.965 8.591217 21.94006 
1 1 1   -1   26   19 o  148.257   10.766  404.241   56.265  369.034   79.130  440.241   80.017  141.496   15.823  155.019   14.604 -13.52333 21.53229 
1 1 1   -1   26   21 o  154.641   10.826  442.981   59.123  419.849   83.082  466.714   84.154  150.402   15.629  158.880   14.986 -8.478912 21.65284 
1 1 1   -1   26   23 o  158.373   10.746  469.117   59.833  412.632   83.984  527.335   85.263  148.194   16.034  168.551   14.312 -20.35704 21.49265 
1 1 1   -1   27    2 o   76.398   13.268  109.298   34.110  106.026   41.784  115.835   59.059   75.021   16.230   77.774   20.995 -2.752609 26.53697 
1 1 1   -1   27    4 o  191.240   13.218  651.735   85.261  737.950  147.583  608.547  104.455  199.547   20.925  182.932   16.156 16.61522 26.43601 
1 1 1   -1   27    6 o   34.509   8.8190   17.862   13.875   21.044   19.139   14.337   20.145   35.890   12.404   33.127   12.539 2.762913 17.63806 
1 1 1   -1   27    8 o   86.936   11.163  141.426   33.107  108.886   46.662  174.411   46.981   75.617   17.762   98.256   13.528 -22.63943 22.32684 
1 1 1   -1   27   10 o   48.962   10.470   43.945   19.998   53.645   27.604   33.233   29.010   53.457   14.321   44.466   15.277 8.990974 20.94019 
1 1 1   -1   27   12 o  150.710   13.852  436.942   67.988  463.213   83.330  384.636  117.582  159.404   14.791  142.016   23.425 17.38791 27.70384 
1 1 1   -1   27   14 o  142.368   15.686  387.000   78.905  396.299  111.436  377.649  111.740  144.237   21.859  140.499   22.502 3.737564 31.37105 
1 1 1   -1   27   16 o   65.647   14.149   82.840   35.982   93.902   51.143   71.996   50.635   69.360   19.854   61.934   20.166 7.425777 28.29875 
1 1 1   -1   27   18 o   92.289   13.687  167.262   41.818  159.538   71.740  171.237   51.465   88.514   22.794   96.064   15.158 -7.550812 27.37350 
1 1 1   -1   27   20 o  130.383   10.983  318.686   50.611  317.042   71.239  320.361   71.914  130.061   15.497  130.706   15.567 -0.6454926 21.96565 
1 1 1   -1   28    1 o  207.107   16.142  817.588  117.802  886.019  166.627  749.205  166.567  216.449   21.781  197.765   23.830 18.68454 32.28386 
1 1 1   -1   28    3 f  206.985   11.096  785.138   81.173  791.092  114.750  779.173  114.842  207.803   15.624  206.168   15.760 1.635300 22.19187 
1 1 1   -1   28    5 f  112.570   13.506  234.318   49.836  222.268   61.108  258.253   86.120  110.056   15.710  115.085   21.974 -5.028984 27.01170 
1 1 1   -1   28    7 o  100.007   10.798  183.575   38.156  187.827   53.818  179.277   54.103  101.227   15.042   98.787   15.495 2.439240 21.59578 
1 1 1   -1   28    9 o   63.240   10.851   76.393   24.450   54.752   34.232   98.929   34.933   54.077   16.446   72.403   14.158 -18.32621 21.70115 
1 1 1   -1   28   11 f   20.800   6.0983   1.6810   7.4830   5.2129   9.9124  -2.9987   11.410   22.141   8.6856   19.458   8.5624 2.683321 12.19652 
1 1 1   -1   28   13 o   54.918   10.479   57.501   21.000   47.123   29.397   68.316   30.010   50.113   15.241   59.723   14.387 -9.609379 20.95899 
1 1 1   -1   28   15 o   68.221   11.111   91.094   26.623  116.109   37.517   65.720   37.785   78.172   14.097   58.271   17.178 19.90092 22.22174 
1 1 1   -1   29    2 o   96.863   11.044  177.590   36.471  146.891   51.371  208.789   51.787   87.148   17.288  106.579   13.748 -19.43107 22.08815 
1 1 1   -1   29    4 o   22.557   6.3414   3.9085   7.6809  -0.1483   10.318   8.9497   11.502   19.645   8.3917   25.469   9.5098 -5.824312 12.68289 
1 1 1   -1   29    6 o  129.228   11.338  315.735   50.771  381.697   71.578  248.946   72.025  143.783   14.085  114.673   17.771 29.10941 22.67546 
1 1 1   -1   29    8 o   84.070   11.644  136.921   33.347  146.256   47.032  127.483   47.290   87.278   15.829   80.863   17.082 6.415451 23.28826 
1 1 1   -1   29   10 o   58.846   12.670   64.686   27.697   77.698   47.058   57.789   34.259   62.881   19.314   54.812   16.405 8.068897 25.34019 
1 1 1    0    0    2 o  1063.64   30.518 20158.60  1616.42 20158.60  1616.42 20158.60  1616.42  1063.64   43.158  1063.64   43.158 -0.000000 0.000000 
1 1 1    0    0    4 o  1484.08   40.215 39332.31  2973.24 39332.31  2973.24 39332.31  2973.24  1484.08   56.873  1484.08   56.873 -0.000000 0.000000 
1 1 1    0    0    6 f  892.360   18.851 14131.39  839.140 14131.39  839.140 14131.39  839.140  892.360   26.660  892.360   26.660 -0.000000 0.000000 
1 1 1    0    0    8 o  2152.57   35.609 82576.90  3826.59 82576.90  3826.59 82576.90  3826.59  2152.57   50.358  2152.57   50.358 -0.000000 0.000000 
1 1 1    0    0   10 o  433.189   12.853  3338.44  277.182  3338.44  277.182  3338.44  277.182  433.189   18.176  433.189   18.176 -0.000000 0.000000 
1 1 1    0    0   12 o  1050.17   21.281 19639.50  1115.00 19639.50  1115.00 19639.50  1115.00  1050.17   30.096  1050.17   30.096 -0.000000 0.000000 
1 1 1    0    0   14 f   85.528   12.232  144.185   46.317  144.185   46.317  144.185   46.317   85.528   17.299   85.528   17.299 -0.000000 0.000000 
1 1 1    0    0   16 o  777.542   24.478 10789.06  947.053 10789.06  947.053 10789.06  947.053  777.542   34.617  777.542   34.617 -0.000000 0.000000 
1 1 1    0    0   18 o  929.574   19.340 15342.46  896.863 15342.46  896.863 15342.46  896.863  929.574   27.351  929.574   27.351 -0.000000 0.000000 
1 1 1    0    0   20 o  1167.16   23.122 24204.11  1346.55 24204.11  1346.55 24204.11  1346.55  1167.16   32.700  1167.16   32.700 -0.000000 0.000000 
1 1 1    0    0   22 o  676.161   22.492  8160.23  756.334  8160.23  756.334  8160.23  756.334  676.161   31.808  676.161   31.808 -0.000000 0.000000 
1 1 1    0    0   24 o  906.084   27.180 14673.24  1225.94 14673.24  1225.94 14673.24  1225.94  906.084   38.438  906.084   38.438 -0.000000 0.000000 
1 1 1    0    0   26 o  577.067   20.708  5957.28  593.806  5957.28  593.806  5957.28  593.806  577.067   29.286  577.067   29.286 -0.000000 0.000000 
1 1 1    0    0   28 o  323.138   17.002  1884.35  271.119  1884.35  271.119  1884.35  271.119  323.138   24.044  323.138   24.044 -0.000000 0.000000 
1 1 1    0    0   30 o   72.040   18.529  122.706   61.379  122.706   61.379  122.706   61.379   72.040   26.204   72.040   26.204 -0.000000 0.000000 
1 1 1    0    0   32 o  313.657   16.973  1786.12  262.517  1786.12  262.517  1786.12  262.517  313.657   24.003  313.657   24.003 -0.000000 0.000000 
1 1 1    0    0   34 f  139.836   17.394  379.737  110.335  379.737  110.335  379.737  110.335  139.836   24.598  139.836   24.598 -0.000000 0.000000 
1 1 1    0    0   36 o  207.992   16.466  802.487  165.682  802.487  165.682  802.487  165.682  207.992   23.286  207.992   23.286 -0.000000 0.000000 
1 1 1    0    0   38 o  439.387   18.737  3513.67  408.084  3513.67  408.084  3513.67  408.084  439.387   26.498  439.387   26.498 -0.000000 0.000000 
1 1 1    0    0   42 o   70.032   21.023  126.132   74.664  126.132   74.664  126.132   74.664   70.032   29.731   70.032   29.731 -0.000000 0.000000 
1 1 1    0    1    1 o  408.494   6.7002  2949.40   96.737  2949.40   96.737   0.0000   0.0000  408.494   6.7002  ?   ?       ?      ? 
1 1 1    0    1    3 o  1151.35   32.339 23611.04  1315.80 23140.49  1860.82 24081.59  1860.82  1139.79   46.191  1162.91   45.273 -23.12659 64.67809 
1 1 1    0    1    5 o  673.021   22.207  8037.24  528.192  8166.65  746.978  7907.83  746.976  678.461   31.150  667.581   31.658 10.88043 44.41356 
1 1 1    0    1    7 o  1505.14   40.759 40690.27  2167.51 41921.43  3065.32 39459.11  3065.32  1528.28   56.748  1481.99   58.521 46.28577 81.51714 
1 1 1    0    1    9 o  854.797   25.947 13034.58  783.832 12818.08  1108.51 13251.07  1108.51  847.631   37.001  861.963   36.386 -14.33130 51.89382 
1 1 1    0    1   11 o  591.148   18.073  6229.36  355.570  6250.63  435.479  6186.84  615.876  593.361   20.765  588.936   29.587 4.424744 36.14669 
1 1 1    0    1   13 o  344.581   14.551  2099.94  167.354  2083.82  204.963  2132.17  289.874  342.859   16.914  346.302   23.683 -3.442902 29.10243 
1 1 1    0    1   15 o  331.401   16.708  1950.24  195.507  1850.78  276.487  2049.70  276.490  322.910   24.225  339.893   23.015 -16.98276 33.41528 
1 1 1    0    1   17 o  542.250   28.085  5220.27  538.253  5220.27  538.253   0.0000   0.0000  542.250   28.085  ?   ?       ?      ? 
1 1 1    0    1   19 o  687.146   19.659  8432.89  448.587  8536.66  549.403  8225.36  776.980  694.047   22.397  680.244   32.317 13.80310 39.31876 
1 1 1    0    1   21 o  989.712   24.667 17322.16  815.903 17083.07  999.268 17800.35  1413.20  980.697   28.829  998.727   40.035 -18.03040 49.33434 
1 1 1    0    1   23 o  593.765   17.900  6246.43  354.455  6218.99  434.114  6301.29  613.944  592.275   20.738  595.255   29.181 -2.979736 35.79948 
1 1 1    0    1   25 o  318.537   16.556  1802.58  186.387  1820.70  263.608  1784.47  263.574  320.145   23.296  316.928   23.530 3.217163 33.11174 
1 1 1    0    1   27 f  445.555   18.288  3540.77  287.834  3678.11  407.106  3403.49  407.012  454.273   25.355  436.836   26.361 17.43753 36.57618 
1 1 1    0    1   29 o  791.677   24.876 11374.10  695.542 11866.81  983.709 10881.51  983.581  809.282   34.391  774.071   35.951 35.21002 49.75152 
1 1 1    0    1   31 o  573.340   20.733  5965.74  420.127  6015.24  594.208  5916.27  594.090  575.781   29.199  570.899   29.442 4.881165 41.46572 
1 1 1    0    1   33 o  233.319   15.370  983.078  126.027  1105.60  178.649  861.703  177.812  248.096   20.373  218.541   23.020 29.55521 30.74081 
1 1 1    0    1   35 o  156.030   21.588  439.632  119.052   0.0000   0.0000  439.632  119.052  ?   ?   156.030   21.588      ?      ? 
1 1 1    0    1   37 o  195.146   16.112  693.485  110.660  626.414  157.311  759.186  155.697  185.494   23.994  204.798   21.510 -19.30408 32.22413 
1 1 1    0    1   39 o  182.062   12.212  563.200   75.467  485.677   92.364  718.888  130.893  164.518   15.884  199.607   18.553 -35.08878 24.42408 
1 1 1    0    1   41 o  193.311   15.376  684.948  104.184  580.659  146.008  793.125  148.705  177.823   23.231  208.800   20.150 -30.97731 30.75236 
1 1 1    0    1   43 o   53.698   13.536   45.099   31.895   39.916   41.173   52.878   50.436   50.491   18.130   56.906   20.105 -6.415253 27.07186 
1 1 1    0    2    0 o  1300.86   35.638 30049.25  1638.36 30617.98  2316.99 29480.52  2316.99  1313.23   49.918  1288.50   50.877 24.73901 71.27631 
1 1 1    0    2    2 o  535.484   13.902  5074.84  263.116  5040.49  372.101  5109.19  372.102  533.669   19.727  537.299   19.594 -3.629944 27.80465 
1 1 1    0    2    4 o  644.077   15.251  7344.83  347.179  7296.47  490.984  7393.20  490.986  641.952   21.639  646.201   21.497 -4.249146 30.50230 
1 1 1    0    2    6 o  1748.83   37.779 53931.46  2216.20 52200.57  2714.26 57393.29  3838.58  1710.72   44.890  1786.94   60.777 -76.21851 75.55787 
1 1 1    0    2    8 o  1246.78   34.718 27887.56  1529.45 27106.15  2162.96 28668.98  2162.97  1229.04   49.792  1264.51   48.396 -35.46509 69.43642 
1 1 1    0    2   10 o  1050.89   42.966 19868.59  1595.89 19868.59  1595.89   0.0000   0.0000  1050.89   42.966  ?   ?       ?      ? 
1 1 1    0    2   12 o  333.926   16.756  1983.61  197.701  1927.27  279.589  2039.94  279.592  329.153   24.033  338.699   23.356 -9.546875 33.51200 
1 1 1    0    2   14 o   95.649   15.326  168.808   50.618  174.033   71.588  163.585   71.581   97.157   21.423   94.142   21.922 3.015785 30.65156 
1 1 1    0    2   16 o  174.333   15.131  538.644   93.233  537.122  131.849  540.166  131.854  174.086   21.429  174.580   21.369 -0.4939880 30.26222 
1 1 1    0    2   18 o  813.751   35.423 11784.65  1018.83   0.0000   0.0000 11784.65  1018.83  ?   ?   813.751   35.423      ?      ? 
1 1 1    0    2   20 o  754.310   20.867 10205.68  521.652 10401.26  638.891  9814.53  903.527  765.943   23.600  742.677   34.421 23.26550 41.73421 
1 1 1    0    2   22 o  429.214   15.751  3292.68  224.307  3343.88  274.710  3190.27  388.535  434.517   17.887  423.911   25.932 10.60562 31.50277 
1 1 1    0    2   24 o  797.323   20.729 11300.27  550.900 11270.22  674.697 11360.39  954.230  796.678   23.961  797.969   33.833 -1.291443 41.45885 
1 1 1    0    2   26 o  294.018   14.461  1534.61  141.666  1534.06  173.514  1535.72  245.347  294.169   16.689  293.866   23.622 0.3022766 28.92216 
1 1 1    0    2   28 o  653.673   17.019  7408.94  344.856  7183.65  398.195  8084.97  689.769  635.846   17.718  671.500   29.063 -35.65387 34.03802 
1 1 1    0    2   30 o  159.385   12.476  440.288   67.077  413.385   82.187  493.960  116.084  152.463   15.252  166.307   19.749 -13.84438 24.95261 
1 1 1    0    2   32 o  439.919   17.262  3577.78  257.857  2460.88  364.482  4696.92  364.849  368.019   28.021  511.819   20.169 -143.8005 34.52474 
1 1 1    0    2   34 o   34.496   9.2219   13.615   15.891   3.3232   22.522   23.817   22.424   30.355   12.649   38.637   13.422 -8.281479 18.44376 
1 1 1    0    2   36 o  246.251   22.622  1099.10  196.894   0.0000   0.0000  1099.10  196.894  ?   ?   246.251   22.622      ?      ? 
1 1 1    0    3    1 o  897.797   18.885 14284.87  599.241 14212.42  847.454 14357.32  847.456  895.513   26.775  900.080   26.639 -4.566162 37.76918 
1 1 1    0    3    3 o  873.988   18.508 13537.85  571.723 13519.25  808.537 13556.44  808.539  873.386   26.192  874.590   26.156 -1.203979 37.01605 
1 1 1    0    3    5 o  2073.37   38.038 77024.50  2787.08 75503.41  3941.52 78545.59  3941.52  2052.61   54.330  2094.12   53.253 -41.51343 76.07601 
1 1 1    0    3    7 o  2458.88   45.035 109995.50  3882.14 94268.83  5490.17 125722.30  5490.19  2277.92   68.191  2639.84   58.842 -361.9189 90.06908 
1 1 1    0    3    9 o  241.121   13.330  1018.78  107.683  994.046  131.879  1068.27  186.527  236.899   15.750  245.342   21.510 -8.443451 26.66032 
1 1 1    0    3   11 o  272.171   12.476  1294.27  113.923  1253.74  139.520  1375.36  197.336  266.015   14.839  278.326   20.060 -12.31110 24.95211 
1 1 1    0    3   13 o  715.490   23.141  9138.79  585.189  9199.44  827.583  9078.14  827.581  717.889   32.616  713.092   32.836 4.796753 46.28169 
1 1 1    0    3   15 o  142.108   14.925  358.053   74.934  346.518  105.972  369.589  105.974  139.812   21.445  144.405   20.763 -4.593384 29.84975 
1 1 1    0    3   17 o  456.739   26.102  3701.02  421.363  3701.02  421.363   0.0000   0.0000  456.739   26.102  ?   ?       ?      ? 
1 1 1    0    3   19 o  473.214   18.715  3973.23  312.992  4025.50  442.640  3920.96  442.636  476.339   26.291  470.089   26.641 6.250488 37.42952 
1 1 1    0    3   21 o  592.676   20.753  6242.56  434.659  6370.56  614.706  6114.57  614.695  598.786   29.045  586.565   29.650 12.22034 41.50598 
1 1 1    0    3   23 o  551.589   28.352  5410.52  552.739   0.0000   0.0000  5410.52  552.739  ?   ?   551.589   28.352      ?      ? 
1 1 1    0    3   25 o  541.948   19.888  5231.83  380.889  5123.04  538.642  5340.62  538.675  536.268   28.418  547.627   27.831 -11.35901 39.77610 
1 1 1    0    3   27 o  475.745   26.649  4040.93  448.098   0.0000   0.0000  4040.93  448.098  ?   ?   475.745   26.649      ?      ? 
1 1 1    0    3   29 o  421.925   25.562  3193.72  381.198   0.0000   0.0000  3193.72  381.198  ?   ?   421.925   25.562      ?      ? 
1 1 1    0    3   39 o  230.981   22.538  972.642  183.999   0.0000   0.0000  972.642  183.999  ?   ?   230.981   22.538      ?      ? 
1 1 1    0    3   41 o  127.606   23.169  307.414  100.648   0.0000   0.0000  307.414  100.648  ?   ?   127.606   23.169      ?      ? 
1 1 1    0    3   43 f  142.425   22.295  375.706  112.231   0.0000   0.0000  375.706  112.231  ?   ?   142.425   22.295      ?      ? 
1 1 1    0    4    0 o  1360.06   37.041 32888.85  1780.58 32917.68  2518.12 32860.02  2518.12  1360.66   52.361  1359.46   52.407 1.199219 74.08205 
1 1 1    0    4    2 o  557.399   14.180  5500.81  279.354  5501.98  395.065  5499.65  395.068  557.458   20.051  557.340   20.055 0.1182861 28.35953 
1 1 1    0    4    4 o  947.909   19.637 15942.19  657.888 15806.79  930.392 16077.60  930.396  943.867   27.889  951.950   27.652 -8.082886 39.27417 
1 1 1    0    4    6 f  2509.80   47.090 114570.40  4175.83 111305.10  5905.51 117835.60  5905.52  2472.99   67.564  2546.61   65.611 -73.61792 94.17899 
1 1 1    0    4    8 o  1059.33   21.407 20003.01  801.450 20244.58  1133.42 19761.44  1133.43  1065.78   30.089  1052.88   30.458 12.90405 42.81336 
1 1 1    0    4   10 f  115.709   10.504  237.356   42.916  249.255   60.690  225.454   60.696  118.618   14.476  112.799   15.224 5.819717 21.00782 
1 1 1    0    4   12 o  318.841   14.562  1820.76  153.930  1853.56  188.520  1755.14  266.631  323.427   16.491  314.254   24.005 9.173370 29.12442 
1 1 1    0    4   14 o  339.558   16.798  2045.80  201.581  2012.39  285.074  2079.21  285.082  336.774   23.950  342.342   23.561 -5.567902 33.59612 
1 1 1    0    4   16 o  375.680   17.270  2503.13  229.273  2450.59  324.238  2555.68  324.244  371.723   24.679  379.637   24.165 -7.914337 34.53957 
1 1 1    0    4   20 o  581.087   20.546  5998.10  421.966  5954.73  596.748  6041.46  596.752  578.975   29.162  583.198   28.951 -4.222717 41.09177 
1 1 1    0    4   22 o  214.998   21.874  819.731  166.219   0.0000   0.0000  819.731  166.219  ?   ?   214.998   21.874      ?      ? 
1 1 1    0    4   28 o  449.332   26.119  3616.41  414.809  3616.41  414.809   0.0000   0.0000  449.332   26.119  ?   ?       ?      ? 
1 1 1    0    4   30 o  384.993   17.630  2668.54  239.787  2757.70  339.082  2579.36  339.139  391.547   24.502  378.440   25.355 13.10681 35.25926 
1 1 1    0    4   32 o  412.411   25.526  3079.93  372.076   0.0000   0.0000  3079.93  372.076  ?   ?   412.411   25.526      ?      ? 
1 1 1    0    4   34 o  471.214   18.967  4053.46  315.730  3904.09  446.421  4202.95  446.597  462.245   27.324  480.183   26.314 -17.93829 37.93496 
1 1 1    0    4   36 o  173.405   21.733  544.257  133.200   0.0000   0.0000  544.257  133.200  ?   ?   173.405   21.733      ?      ? 
1 1 1    0    4   38 f   60.374   19.306   64.558   46.552   0.0000   0.0000   64.558   46.552  ?   ?    60.374   19.306      ?      ? 
1 1 1    0    4   40 o  132.326   21.744  319.531  101.697   0.0000   0.0000  319.531  101.697  ?   ?   132.326   21.744      ?      ? 
1 1 1    0    4   42 o   88.818   22.474  150.965   70.609   0.0000   0.0000  150.965   70.609  ?   ?    88.818   22.474      ?      ? 
1 1 1    0    4   44 o  168.813   22.472  533.468  134.083   0.0000   0.0000  533.468  134.083  ?   ?   168.813   22.472      ?      ? 
1 1 1    0    5    1 o  591.957   14.638  6207.68  306.264  6257.56  433.122  6157.80  433.124  594.341   20.618  589.573   20.785 4.768311 29.27697 
1 1 1    0    5    3 o  1492.67   28.509 39776.48  1504.04 40120.10  2127.03 39432.86  2127.03  1499.18   40.142  1486.16   40.494 13.02637 57.01879 
1 1 1    0    5    5 o  1636.26   31.032 48012.00  1794.55 47385.64  2537.87 48638.37  2537.88  1625.43   44.175  1647.09   43.594 -21.66113 62.06398 
1 1 1    0    5    7 o  534.712   13.892  5073.11  262.486  4954.09  371.206  5192.13  371.216  528.414   19.876  541.009   19.413 -12.59497 27.78343 
1 1 1    0    5    9 o  850.227   18.197 12880.41  546.328 12254.03  772.614 13506.83  772.633  829.382   26.356  871.072   25.096 -41.68939 36.39311 
1 1 1    0    5   11 o  625.291   15.152  6944.59  334.598  7270.10  473.186  6619.07  473.199  640.020   20.918  610.562   21.928 29.45801 30.30484 
1 1 1    0    5   13 o  776.069   24.314 10734.16  666.915 10808.11  943.161 10660.20  943.160  778.765   34.266  773.373   34.505 5.392273 48.62819 
1 1 1    0    5   15 o  150.938   12.645  400.550   63.806  394.827   78.138  412.002  110.539  149.376   14.800  152.500   20.508 -3.124374 25.29083 
1 1 1    0    5   17 o  481.572   26.657  4114.68  453.726   0.0000   0.0000  4114.68  453.726  ?   ?   481.572   26.657      ?      ? 
1 1 1    0    5   23 o  192.917   21.631  660.352  147.493  660.352  147.493   0.0000   0.0000  192.917   21.631  ?   ?       ?      ? 
1 1 1    0    5   25 o  658.857   22.038  7763.80  512.477  7291.25  724.730  8236.40  724.772  638.563   32.111  679.150   30.194 -40.58667 44.07680 
1 1 1    0    5   27 o  351.454   16.997  2205.66  210.995  2114.19  298.365  2297.15  298.419  344.090   24.533  358.818   23.531 -14.72824 33.99361 
1 1 1    0    5   29 o  262.657   16.029  1244.03  147.275  1041.56  208.244  1446.63  208.314  240.840   24.464  284.473   20.719 -43.63211 32.05822 
1 1 1    0    5   31 o  721.707   23.832  9575.11  607.914  9605.97  859.692  9544.25  859.747  722.918   33.646  720.496   33.761 2.421509 47.66423 
1 1 1    0    5   33 o  310.173   23.555  1741.00  258.234  1741.00  258.234   0.0000   0.0000  310.173   23.555  ?   ?       ?      ? 
1 1 1    0    5   35 f  279.857   16.074  1426.09  157.735  1223.97  222.963  1628.61  223.180  259.406   24.318  300.307   21.027 -40.90155 32.14799 
1 1 1    0    5   37 o   66.677   14.017   81.388   35.478   84.708   50.234   78.084   50.112   67.824   19.753   65.531   19.892 2.293274 28.03347 
1 1 1    0    5   39 o   77.186   21.409  111.723   60.450   0.0000   0.0000  111.723   60.450  ?   ?    77.186   21.409      ?      ? 
1 1 1    0    5   41 o  138.852   21.868  353.654  107.319   0.0000   0.0000  353.654  107.319  ?   ?   138.852   21.868      ?      ? 
1 1 1    0    5   43 o  317.041   24.331  1885.76  272.641   0.0000   0.0000  1885.76  272.641  ?   ?   317.041   24.331      ?      ? 
1 1 1    0    5   45 o  277.943   24.063  1484.16  236.388   0.0000   0.0000  1484.16  236.388  ?   ?   277.943   24.063      ?      ? 
1 1 1    0    6    0 o  367.830   17.156  2396.84  223.023  2429.42  315.401  2364.27  315.402  370.335   24.096  365.325   24.427 5.010651 34.31168 
1 1 1    0    6    2 o  739.783   16.613  9717.65  434.375  9768.36  614.298  9666.94  614.302  741.722   23.432  737.844   23.556 3.878845 33.22578 
1 1 1    0    6    4 o  445.985   12.917  3526.64  203.609  3529.83  287.945  3523.45  287.949  446.187   18.259  445.782   18.276 0.4049683 25.83377 
1 1 1    0    6    6 o  281.705   11.351  1406.53  113.017  1390.05  159.827  1423.01  159.834  280.049   16.147  283.360   15.959 -3.310699 22.70299 
1 1 1    0    6    8 o  641.927   15.278  7323.30  346.432  7607.22  489.929  7039.37  489.930  654.441   21.181  629.413   22.023 25.02795 30.55558 
1 1 1    0    6   10 o  492.300   16.400  4283.57  269.627  4368.25  466.979  4241.21  330.235  495.538   26.662  489.062   19.105 6.476105 32.80053 
1 1 1    0    6   12 o  1124.34   27.666 22807.20  1030.36 21908.75  1784.58 23256.47  1261.95  1105.40   45.677  1143.28   31.230 -37.87793 55.33255 
1 1 1    0    6   14 o  473.191   26.466  3973.23  442.630  3973.23  442.630   0.0000   0.0000  473.191   26.466  ?   ?       ?      ? 
1 1 1    0    6   18 o  313.889   16.251  1751.51  179.514  1563.99  253.813  1939.20  253.928  296.980   24.181  330.799   21.718 -33.81989 32.50214 
1 1 1    0    6   20 o  493.496   26.950  4325.22  470.075   0.0000   0.0000  4325.22  470.075  ?   ?   493.496   26.950      ?      ? 
1 1 1    0    6   22 o  409.530   17.778  2979.73  257.257  2900.68  363.817  3058.78  363.816  404.069   25.475  414.991   24.804 -10.92245 35.55556 
1 1 1    0    6   24 o  645.980   21.817  7451.31  497.880  7710.82  704.114  7191.81  704.102  657.346   30.306  634.614   31.391 22.73175 43.63317 
1 1 1    0    6   26 o  708.516   23.087  9029.50  577.136  8426.85  816.168  9632.23  816.221  684.449   33.738  732.583   31.523 -48.13348 46.17315 
1 1 1    0    6   28 o  312.939   16.619  1756.05  183.487  1875.81  259.491  1636.30  259.487  323.767   22.676  302.112   24.301 21.65448 33.23796 
1 1 1    0    6   30 o  343.083   16.972  2124.61  205.105  1925.96  290.025  2323.36  290.100  326.698   25.117  359.469   22.833 -32.77124 33.94442 
1 1 1    0    6   32 f  338.719   17.077  2080.77  203.709  2278.60  288.095  1882.95  288.081  355.243   22.945  322.195   25.297 33.04782 34.15313 
1 1 1    0    6   34 o  172.038   15.272  534.752   92.853  524.956  131.234  544.571  131.395  170.428   21.786  173.649   21.408 -3.221268 30.54453 
1 1 1    0    6   36 o   90.931   15.228  155.951   48.588  187.833   68.769  124.171   68.659  100.333   20.093   81.529   22.888 18.80370 30.45655 
1 1 1    0    6   38 o  146.384   15.266  389.892   78.890  410.892  111.540  368.872  111.595  150.445   20.976  142.322   22.185 8.123764 30.53144 
1 1 1    0    6   40 o  270.669   23.214  1346.02  222.083   0.0000   0.0000  1346.02  222.083  ?   ?   270.669   23.214      ?      ? 
1 1 1    0    6   42 o  170.479   22.094  537.319  133.127   0.0000   0.0000  537.319  133.127  ?   ?   170.479   22.094      ?      ? 
1 1 1    0    6   44 o  144.371   22.171  392.115  113.130   0.0000   0.0000  392.115  113.130  ?   ?   144.371   22.171      ?      ? 
1 1 1    0    6   46 o  191.748   23.097  719.256  156.530   0.0000   0.0000  719.256  156.530  ?   ?   191.748   23.097      ?      ? 
1 1 1    0    7    1 o  776.885   17.183 10737.13  471.775 10882.12  667.190 10592.13  667.193  782.166   24.134  771.605   24.464 10.56085 34.36515 
1 1 1    0    7    3 o  418.809   12.642  3111.18  187.133  3081.36  264.643  3140.99  264.648  416.795   17.965  420.823   17.793 -4.028229 25.28471 
1 1 1    0    7    5 o  204.677   13.268  741.405   90.593  749.098  156.905  737.559  110.956  205.337   21.620  204.017   15.387 1.320099 26.53644 
1 1 1    0    7    7 o  590.666   17.836  6184.57  351.543  6270.89  608.869  6141.41  430.559  593.121   29.044  588.211   20.710 4.910339 35.67172 
1 1 1    0    7    9 o  445.380   18.295  3525.33  287.983  3504.55  407.257  3546.11  407.280  444.060   25.948  446.700   25.796 -2.640350 36.58905 
1 1 1    0    7   11 o  596.145   18.204  6359.32  360.015  6459.71  440.927  6158.55  623.562  603.729   20.664  588.562   29.976 15.16650 36.40763 
1 1 1    0    7   13 o  582.147   29.079  6018.57  598.324  6018.57  598.324   0.0000   0.0000  582.147   29.079  ?   ?       ?      ? 
1 1 1    0    7   15 o  828.961   17.876 12188.12  523.716 11994.32  740.623 12381.95  740.670  822.346   25.481  835.576   25.079 -13.23004 35.75300 
1 1 1    0    7   17 o  701.421   16.309  8724.92  404.111  9057.08  571.472  8392.69  571.526  714.821   22.619  688.021   23.503 26.79950 32.61897 
1 1 1    0    7   19 o  960.957   23.883 16218.20  769.509 15747.40  942.413 17160.03  1332.94  941.416   28.323  980.498   38.463 -39.08191 47.76611 
1 1 1    0    7   21 o  1090.66   31.210 21351.81  1203.09 21478.42  1701.43 21225.20  1701.43  1093.94   44.005  1087.37   44.271 6.568970 62.42054 
1 1 1    0    7   23 o  284.406   14.134  1455.05  132.943  1377.94  230.262  1493.61  162.822  278.464   23.396  290.349   15.866 -11.88431 28.26813 
1 1 1    0    7   25 o  560.782   20.279  5628.68  401.447  5309.02  567.712  5948.39  567.750  544.653   29.491  576.911   27.844 -32.25763 40.55846 
1 1 1    0    7   27 o  494.092   19.227  4386.69  335.762  4351.97  474.830  4421.41  474.848  492.104   27.300  496.080   27.082 -3.976044 38.45425 
1 1 1    0    7   29 o  344.011   17.046  2131.06  207.113  2223.09  292.900  2039.03  292.905  351.580   23.571  336.442   24.632 15.13797 34.09272 
1 1 1    0    7   31 o  402.688   17.929  2938.81  255.121  3008.04  360.784  2869.58  360.807  407.553   25.046  397.824   25.660 9.728851 35.85773 
1 1 1    0    7   33 o  185.580   15.443  623.858  100.824  555.818  142.565  691.938  142.607  175.204   23.022  195.956   20.590 -20.75140 30.88665 
1 1 1    0    7   35 o  190.851   15.413  659.979  103.847  624.130  146.799  695.888  146.923  185.534   22.386  196.168   21.191 -10.63403 30.82510 
1 1 1    0    7   37 o  239.140   15.951  1042.78  134.402  950.365  190.029  1135.27  190.116  228.203   23.560  250.076   21.509 -21.87321 31.90192 
1 1 1    0    7   39 o  101.415   22.364  194.930   78.008   0.0000   0.0000  194.930   78.008  ?   ?   101.415   22.364      ?      ? 
1 1 1    0    7   41 o  226.258   15.841  945.353  126.434  878.130  178.538  1012.98  179.073  217.842   23.188  234.675   21.590 -16.83298 31.68293 
1 1 1    0    7   45 o   79.540   22.166  125.380   64.643   0.0000   0.0000  125.380   64.643  ?   ?    79.540   22.166      ?      ? 
1 1 1    0    8    0 o  154.570   21.209  423.257  115.867   0.0000   0.0000  423.257  115.867  ?   ?   154.570   21.209      ?      ? 
1 1 1    0    8    2 o  372.618   17.269  2469.28  227.414  2499.54  321.608  2439.02  321.616  374.916   24.270  370.320   24.572 4.595703 34.53727 
1 1 1    0    8    4 o  1054.21   30.464 20000.21  1135.09 19985.77  1605.26 20014.66  1605.27  1053.82   43.098  1054.59   43.067 -0.7752686 60.92778 
1 1 1    0    8    6 o  242.122   13.738  1048.14  110.341  1065.30  135.141  1013.83  191.111  245.261   15.590  238.983   22.625 6.278091 27.47639 
1 1 1    0    8    8 o  166.599   13.942  523.783   74.415  580.400   91.144  410.577  128.881  181.092   14.240  152.107   23.973 28.98543 27.88322 
1 1 1    0    8   10 o  568.628   17.599  5746.02  333.103  5706.21  576.957  5765.93  407.963  566.778   28.801  570.477   20.233 -3.698730 35.19783 
1 1 1    0    8   12 o  313.172   14.184  1728.82  148.354  1762.85  256.966  1711.80  181.692  315.357   23.054  310.987   16.530 4.370361 28.36806 
1 1 1    0    8   14 o  1233.24   24.180 27054.20  1053.90 26774.41  1490.42 27334.00  1490.46  1226.82   34.372  1239.66   34.017 -12.83777 48.35922 
1 1 1    0    8   16 o   86.990   10.998  123.401   31.782   87.953   38.897  194.605   55.128   69.111   16.205  104.869   14.873 -35.75760 21.99581 
1 1 1    0    8   18 o  650.045   18.337  7407.28  399.485  7212.40  489.243  7797.16  691.996  637.821   21.702  662.268   29.563 -24.44684 36.67376 
1 1 1    0    8   20 o  1182.96   47.169 25172.87  1972.18 25172.87  1972.18   0.0000   0.0000  1182.96   47.169  ?   ?       ?      ? 
1 1 1    0    8   22 o  825.778   21.967 11904.58  610.279 13018.06  1056.89 11347.61  747.487  853.038   35.054  798.518   26.485 54.51959 43.93466 
1 1 1    0    8   24 o  809.584   25.149 11798.60  718.746 11137.92  1016.43 12459.34  1016.49  786.494   36.565  832.674   34.539 -46.18011 50.29826 
1 1 1    0    8   26 o  276.711   16.150  1368.44  157.937  1385.22  223.358  1351.66  223.355  278.427   22.697  274.996   22.980 3.431732 32.29914 
1 1 1    0    8   28 o  154.538   15.147  428.142   82.683  411.319  116.949  444.955  116.914  151.458   21.847  157.617   20.987 -6.158875 30.29378 
1 1 1    0    8   30 o  209.461   15.556  789.833  115.120  814.619  162.818  765.054  162.792  212.808   21.647  206.114   22.346 6.694351 31.11176 
1 1 1    0    8   32 o  322.751   16.886  1892.13  191.985  2066.04  271.517  1718.24  271.499  337.995   22.728  307.507   24.980 30.48801 33.77242 
1 1 1    0    8   34 o  150.979   15.323  413.650   81.375  459.046  115.064  368.227  115.100  159.489   20.412  142.469   22.858 17.02026 30.64528 
1 1 1    0    8   36 o  138.201   15.540  353.375   73.385  298.229  103.679  408.739  103.884  125.921   24.175  150.482   19.532 -24.56116 31.07907 
1 1 1    0    8   38 o  187.906   15.891  652.317  103.499  794.672  146.386  510.025  146.354  209.335   19.785  166.477   24.873 42.85803 31.78239 
1 1 1    0    8   40 o  191.744   15.644  675.996  106.014  686.175  149.958  665.826  149.894  193.243   21.956  190.244   22.292 2.999329 31.28881 
1 1 1    0    8   42 o   40.506   10.801   22.039   21.191   27.002   28.677   16.070   31.451   41.940   15.123   39.073   15.425 2.866913 21.60173 
1 1 1    0    8   44 o   54.022   18.589   50.707   42.959   0.0000   0.0000   50.707   42.959  ?   ?    54.022   18.589      ?      ? 
1 1 1    0    8   46 o   87.404   22.983  157.056   71.942   0.0000   0.0000  157.056   71.942  ?   ?    87.404   22.983      ?      ? 
1 1 1    0    9    1 f   54.774   17.745   51.372   39.233   51.372   39.233   0.0000   0.0000   54.774   17.745  ?   ?       ?      ? 
1 1 1    0    9    3 o  811.269   25.058 11745.03  718.497 11799.21  1016.10 11690.85  1016.11  813.159   35.354  809.380   35.520 3.779419 50.11564 
1 1 1    0    9    5 o  822.808   21.632 11967.50  594.718 12272.82  1030.09 11814.85  728.375  829.780   35.123  815.836   25.260 13.94409 43.26302 
1 1 1    0    9    7 o  369.062   12.135  2411.57  158.290  2410.98  223.852  2412.16  223.861  369.017   17.163  369.107   17.160 -0.9014893E-01 24.26978 
1 1 1    0    9    9 o  726.322   16.392  9352.44  420.792  9448.99  595.084  9255.88  595.097  730.083   23.061  722.561   23.302 7.522522 32.78430 
1 1 1    0    9   11 o  680.983   19.033  8135.33  434.166  8518.81  752.013  7943.60  531.737  692.467   30.726  669.500   22.471 22.96722 38.06630 
1 1 1    0    9   13 o  997.413   20.383 17665.91  718.422 17255.47  1015.98 18076.38  1016.02  985.770   29.160  1009.06   28.488 -23.28601 40.76644 
1 1 1    0    9   15 f  570.539   14.376  5767.03  289.897  5780.06  409.961  5754.01  409.992  571.185   20.307  569.893   20.355 1.291687 28.75211 
1 1 1    0    9   17 o  300.900   11.761  1609.59  124.324  1813.13  175.811  1406.00  175.831  320.041   15.542  281.760   17.656 38.28119 23.52251 
1 1 1    0    9   19 o  584.168   14.236  6055.79  293.539  5694.75  415.072  6417.01  415.181  566.677   20.724  601.658   19.524 -34.98102 28.47201 
1 1 1    0    9   21 o  934.154   39.265 15660.85  1296.41 15660.85  1296.41   0.0000   0.0000  934.154   39.265  ?   ?       ?      ? 
1 1 1    0    9   23 o  205.350   13.611  748.532   93.218  750.734  161.210  747.426  114.256  205.402   22.206  205.299   15.746 0.1028137 27.22201 
1 1 1    0    9   25 o  347.549   16.971  2162.16  208.211  2039.55  294.427  2284.81  294.484  337.567   24.677  357.531   23.304 -19.96484 33.94167 
1 1 1    0    9   27 f  153.842   15.866  435.705   82.326  337.003  116.397  534.506  116.456  134.708   25.378  172.977   19.048 -38.26974 31.73145 
1 1 1    0    9   29 o   79.202   14.814  116.671   42.132  122.028   59.584  111.313   59.582   80.927   20.737   77.477   21.161 3.450195 29.62753 
1 1 1    0    9   31 f  320.376   16.784  1859.64  189.976  1800.10  268.643  1919.20  268.690  315.118   24.120  325.635   23.345 -10.51703 33.56776 
1 1 1    0    9   33 o  291.878   16.447  1546.56  169.603  1498.72  239.808  1594.43  239.902  287.241   23.621  296.515   22.891 -9.274780 32.89304 
1 1 1    0    9   35 f  107.653   15.787  217.692   58.098  216.304   82.104  219.083   82.223  107.290   22.376  108.017   22.277 -0.7263718 31.57411 
1 1 1    0    9   37 o  238.248   15.942  1036.76  134.094  981.258  189.578  1092.34  189.697  231.655   23.154  244.841   21.921 -13.18631 31.88462 
1 1 1    0    9   39 o  273.130   23.224  1373.70  224.197   0.0000   0.0000  1373.70  224.197  ?   ?   273.130   23.224      ?      ? 
1 1 1    0    9   45 o   83.166   22.079  139.681   65.986  139.681   65.986   0.0000   0.0000   83.166   22.079  ?   ?       ?      ? 
1 1 1    0   10    0 o  139.965   14.887  347.557   73.368  312.691  103.748  382.436  103.768  132.916   22.084  147.015   19.970 -14.09843 29.77463 
1 1 1    0   10    2 o  568.280   14.345  5723.05  288.024  5898.31  407.327  5547.79  407.329  577.006   19.973  559.554   20.596 17.45154 28.68998 
1 1 1    0   10    4 o  697.100   19.834  8682.27  459.113  8788.67  562.293  8469.48  795.218  704.124   22.594  690.075   32.604 14.04919 39.66743 
1 1 1    0   10    6 o   76.426   14.519  106.977   40.076  111.939   56.697  102.022   56.655   78.063   20.343   74.788   20.720 3.274590 29.03708 
1 1 1    0   10    8 o  543.836   19.859  5252.67  381.404  5007.74  539.370  5497.63  539.403  531.093   28.734  556.579   27.420 -25.48639 39.71772 
1 1 1    0   10   10 o  621.469   18.234  6812.81  378.569  6967.19  655.707  6735.62  463.648  626.352   29.619  616.586   21.275 9.766235 36.46815 
1 1 1    0   10   12 o  1208.69   29.276 26110.62  1177.63 26183.03  1442.29 25965.78  2039.76  1213.23   33.635  1204.15   47.927 9.081421 58.55119 
1 1 1    0   10   14 o  567.349   14.224  5707.37  284.908  5391.47  402.896  6023.35  402.945  551.594   20.666  583.104   19.551 -31.51086 28.44886 
1 1 1    0   10   16 o  588.344   14.566  6135.98  302.888  6190.23  428.326  6081.71  428.371  590.953   20.507  585.734   20.692 5.218872 29.13226 
1 1 1    0   10   18 o  653.321   15.464  7573.49  357.070  7618.52  504.940  7528.44  505.005  655.272   21.802  651.371   21.936 3.901672 30.92729 
1 1 1    0   10   20 o  768.764   17.193 10509.39  467.098 10714.15  660.530 10304.57  660.623  776.302   24.074  761.227   24.554 15.07440 34.38650 
1 1 1    0   10   22 o  658.205   19.146  8104.23  408.052  6754.31  706.526  8779.87  499.845  613.587   32.579  702.823   20.122 -89.23621 38.29170 
1 1 1    0   10   24 o  752.198   16.877 10120.04  448.652  9962.82  634.407 10277.35  634.573  746.284   24.052  758.112   23.683 -11.82855 33.75411 
1 1 1    0   10   26 o  319.439   16.673  1834.19  188.048  1928.67  265.966  1739.76  265.914  327.804   22.956  311.073   24.186 16.73129 33.34533 
1 1 1    0   10   28 o  219.144   15.767  868.088  121.244  750.018  171.457  986.178  171.472  203.900   23.791  234.389   20.698 -30.48961 31.53484 
1 1 1    0   10   30 o  122.839   13.480  254.038   56.309  336.527   97.296  212.495   69.047  136.788   20.125  108.891   17.941 27.89742 26.96047 
1 1 1    0   10   32 o   60.676   13.352   65.816   31.746   60.194   44.863   71.454   44.927   58.660   18.973   62.693   18.791 -4.033295 26.70349 
1 1 1    0   10   34 o  470.488   27.088  4067.28  450.445   0.0000   0.0000  4067.28  450.445  ?   ?   470.488   27.088      ?      ? 
1 1 1    0   10   40 o  177.283   22.038  581.183  138.089  581.183  138.089   0.0000   0.0000  177.283   22.038  ?   ?       ?      ? 
1 1 1    0   10   42 o   60.864   13.672   68.146   33.059   67.388   46.771   68.903   46.734   60.605   19.348   61.124   19.322 -0.5192299 27.34411 
1 1 1    0   10   44 o  197.647   15.860  762.130  109.371  631.836  154.223  893.960  155.129  178.941   24.385  216.353   20.287 -37.41154 31.72017 
1 1 1    0   11    1 o  928.506   19.371 15301.22  635.635 15542.65  898.919 15059.77  898.927  935.863   27.176  921.149   27.611 14.71411 38.74126 
1 1 1    0   11    3 o  1166.39   23.070 24186.32  951.046 24332.56  1344.98 24040.08  1344.99  1169.94   32.526  1162.84   32.725 7.094727 46.13966 
1 1 1    0   11    5 o  788.134   17.296 11014.00  481.784 11059.13  681.340 10968.86  681.352  789.754   24.409  786.513   24.510 3.240723 34.59118 
1 1 1    0   11    7 o  992.364   20.335 17495.13  712.548 18374.05  1007.70 16616.22  1007.70  1017.42   28.023  967.306   29.474 50.11713 40.66945 
1 1 1    0   11    9 o  896.558   22.812 14166.30  684.177 13912.97  837.928 14673.02  1185.07  885.466   26.774  907.649   36.941 -22.18304 45.62313 
1 1 1    0   11   11 o  587.922   20.604  6146.04  427.509  5761.21  604.558  6530.96  604.620  569.400   30.040  606.443   28.208 -37.04321 41.20796 
1 1 1    0   11   13 o  876.864   26.390 13718.35  817.669 13364.34  1156.34 14072.38  1156.38  865.442   37.803  888.287   36.832 -22.84534 52.77951 
1 1 1    0   11   15 o  370.393   14.579  2393.50  181.269  2555.44  313.974  2312.53  222.006  379.465   23.410  361.320   17.384 18.14468 29.15880 
1 1 1    0   11   17 o  658.589   15.600  7703.44  362.831  8065.91  513.101  7340.92  513.140  674.162   21.534  643.016   22.578 31.14600 31.20074 
1 1 1    0   11   19 f  398.199   12.311  2812.69  173.160  2697.03  244.842  2928.44  244.929  389.978   17.763  406.420   17.051 -16.44138 24.62249 
1 1 1    0   11   21 o  507.530   16.629  4588.76  281.105  4586.06  344.221  4594.15  487.057  508.011   19.171  507.048   27.178 0.9631348 33.25879 
1 1 1    0   11   23 o  234.688   10.439  1006.31   82.753  667.971  116.884  1346.34  117.176  193.798   17.064  275.577   12.030 -81.77956 20.87859 
1 1 1    0   11   25 o  484.030   16.180  4160.80  262.106  4068.72  320.988  4345.06  454.052  477.236   19.030  490.825   26.173 -13.58942 32.36011 
1 1 1    0   11   27 o  191.177   15.361  657.638  103.655  619.169  146.548  696.152  146.632  185.481   22.354  196.872   21.073 -11.39117 30.72103 
1 1 1    0   11   29 o   83.011   18.522  128.350   52.964   0.0000   0.0000  128.350   52.964  ?   ?    83.011   18.522      ?      ? 
1 1 1    0   11   33 o  137.798   21.387  343.808  104.161  343.808  104.161   0.0000   0.0000  137.798   21.387  ?   ?       ?      ? 
1 1 1    0   11   35 o   86.719   21.624  141.994   66.050  141.994   66.050   0.0000   0.0000   86.719   21.624  ?   ?       ?      ? 
1 1 1    0   11   37 o   67.060   14.132   82.818   36.215   94.159   51.100   71.373   51.333   70.916   19.689   63.203   20.279 7.713039 28.26475 
1 1 1    0   11   39 o   74.114   14.736  103.866   40.212  102.566   56.948  105.158   56.789   73.691   20.900   74.536   20.778 -0.8451157 29.47101 
1 1 1    0   11   41 o  151.028   15.610  427.692   83.187  454.228  117.557  401.078  117.732  156.013   21.319  146.042   22.808 9.970551 31.22066 
1 1 1    0   11   43 f  150.409   15.822  436.758   83.927  467.448  118.683  406.060  118.698  156.184   21.500  144.634   23.219 11.54929 31.64464 
1 1 1    0   11   45 o  104.151   16.026  224.343   57.557  182.231   80.780  267.770   82.031   92.871   24.321  115.432   20.875 -22.56133 32.05115 
1 1 1    0   12    0 o  940.690   27.647 15705.76  919.190 15774.76  1299.92 15636.76  1299.94  942.766   39.012  938.615   39.185 4.150452 55.29319 
1 1 1    0   12    2 o  1046.53   21.180 19453.49  783.423 19591.00  1107.92 19315.97  1107.93  1050.24   29.847  1042.81   30.060 7.435669 42.36085 
1 1 1    0   12    4 o  845.875   18.137 12692.19  542.244 12750.49  766.841 12633.89  766.857  847.825   25.590  843.925   25.709 3.900146 36.27451 
1 1 1    0   12    6 o   51.385   10.011   48.120   18.784   45.057   26.534   51.198   26.596   49.906   14.305   52.864   14.009 -2.958641 20.02224 
1 1 1    0   12    8 o  415.888   12.645  3070.50  185.152  3381.04  261.845  2759.96  261.845  437.015   16.952  394.762   18.767 42.25266 25.28970 
1 1 1    0   12   10 o  369.806   17.196  2426.42  224.752  2396.00  317.832  2456.85  317.864  367.478   24.471  372.134   24.167 -4.655457 34.39265 
1 1 1    0   12   12 o  1066.80   21.523 20250.14  811.390 20667.52  1147.46 19832.75  1147.49  1077.87   30.120  1055.73   30.752 22.13953 43.04533 
1 1 1    0   12   14 o  944.619   23.665 15748.53  748.311 15410.21  916.468 16425.26  1296.17  930.870   27.855  958.368   38.266 -27.49829 47.33063 
1 1 1    0   12   16 o  981.523   28.710 17313.54  994.641 16294.70  1406.59 18332.49  1406.68  952.153   41.797  1010.89   39.370 -58.73969 57.41938 
1 1 1    0   12   18 o  227.279   15.585  918.577  125.129  883.819  176.928  953.360  176.989  222.951   22.453  231.607   21.621 -8.656418 31.17021 
1 1 1    0   12   20 o  372.041   15.293  2521.21  187.148  2305.12  324.079  2629.33  229.234  359.251   25.523  384.831   16.853 -25.58041 30.58538 
1 1 1    0   12   22 o  387.154   17.662  2687.69  241.650  2738.49  341.608  2636.81  341.882  390.871   24.727  383.436   25.227 7.434875 35.32457 
1 1 1    0   12   24 o  130.049   13.265  284.824   58.647  367.694  101.348  243.103   71.910  143.359   20.002  116.740   17.428 26.61961 26.52947 
1 1 1    0   12   26 o  149.344   14.798  400.698   78.025  376.963  109.769  424.937  110.928  144.812   21.446  153.875   20.396 -9.062958 29.59662 
1 1 1    0   12   28 o  324.987   16.508  1912.14  189.388  1799.75  267.221  2025.57  268.453  315.175   23.988  334.799   22.686 -19.62405 33.01673 
1 1 1    0   12   30 o  192.562   15.485  670.944  105.334  696.381  148.969  645.510  148.962  196.299   21.471  188.825   22.320 7.474304 30.97092 
1 1 1    0   12   32 o   69.304   12.208   93.106   29.432   70.825   49.219  105.508   36.721   62.956   19.821   75.653   14.256 -12.69702 24.41525 
1 1 1    0   12   34 o  399.964   18.060  2941.14  255.305  2950.51  361.031  2931.77  361.081  400.628   25.497  399.300   25.585 1.327911 36.12016 
1 1 1    0   12   36 o  170.092   15.471  529.386   92.857  562.638  131.292  496.105  131.348  175.626   21.151  164.557   22.583 11.06972 30.94135 
1 1 1    0   12   38 o  151.444   16.209  433.427   83.167  520.044  117.640  346.879  117.593  168.623   19.739  134.265   25.716 34.35771 32.41808 
1 1 1    0   12   40 f  106.349   16.026  219.051   58.413  206.506   82.507  231.658   82.710  103.035   23.213  109.662   22.103 -6.627182 32.05292 
1 1 1    0   12   42 o   48.664   12.012   39.456   25.769   50.399   36.257   28.287   36.631   52.610   17.061   44.719   16.913 7.890171 24.02335 
1 1 1    0   12   44 o  107.604   16.639  239.469   61.530  228.269   87.118  250.616   86.916  104.688   24.050  110.520   22.999 -5.831528 33.27728 
1 1 1    0   13    1 o  337.241   11.857  2013.73  141.298  2065.59  199.819  1961.85  199.832  341.593   16.550  332.889   16.984 8.703278 23.71453 
1 1 1    0   13    3 o  437.798   12.832  3394.23  198.558  3380.46  280.795  3407.99  280.811  436.909   18.184  438.688   18.111 -1.779144 25.66409 
1 1 1    0   13    5 o  447.711   12.928  3550.08  204.575  3561.26  289.303  3538.89  289.322  448.418   18.254  447.004   18.313 1.414063 25.85623 
1 1 1    0   13    7 o  492.749   13.364  4309.77  232.054  3926.64  328.146  4693.04  328.201  470.747   19.722  514.752   18.039 -44.00504 26.72812 
1 1 1    0   13    9 o  877.741   22.549 13583.32  662.411 14132.63  1147.33 13308.67  811.282  889.915   36.477  865.566   26.519 24.34875 45.09795 
1 1 1    0   13   11 o  415.822   12.604  3063.63  185.221  3017.01  261.913  3110.26  261.973  412.649   17.958  418.994   17.690 -6.344879 25.20758 
1 1 1    0   13   13 o  1339.35   25.990 32103.16  1230.31 31840.97  1739.89 32365.37  1739.94  1333.81   36.907  1344.89   36.604 -11.07715 51.98038 
1 1 1    0   13   15 o  276.762   11.230  1363.11  109.134  1183.57  154.291  1542.87  154.386  258.397   16.894  295.128   14.801 -36.73035 22.46023 
1 1 1    0   13   17 o  271.475   11.477  1311.95  109.511  1470.70  154.843  1153.07  154.902  288.027   15.210  254.923   17.192 33.10338 22.95470 
1 1 1    0   13   19 o  264.382   15.942  1246.95  148.943  1220.70  210.562  1273.24  210.711  261.572   22.776  267.193   22.312 -5.620575 31.88356 
1 1 1    0   13   23 o  258.200   22.665  1197.70  206.837   0.0000   0.0000  1197.70  206.837  ?   ?   258.200   22.665      ?      ? 
1 1 1    0   13   25 o  276.760   14.085  1381.79  129.404  1396.89  158.478  1351.57  224.156  279.774   16.027  273.747   23.168 6.026978 28.17079 
1 1 1    0   13   27 o  205.513   11.144  756.747   80.625  830.951  113.777  681.903  114.267  215.778   14.919  195.249   16.558 20.52914 22.28758 
1 1 1    0   13   29 o  386.589   15.401  2716.45  197.720  2661.90  342.035  2743.83  242.307  382.100   25.326  391.077   17.530 -8.976746 30.80147 
1 1 1    0   13   31 o  102.696   15.722  198.324   55.417  192.273   78.360  204.378   78.384  101.047   22.517  104.344   21.949 -3.297180 31.44474 
1 1 1    0   13   33 o   61.032   13.357   66.817   32.046   79.190   45.328   54.452   45.313   65.419   18.679   56.646   19.097 8.773308 26.71341 
1 1 1    0   13   35 f  129.072   15.903  312.818   69.902  376.905   98.872  248.771   98.842  144.111   19.411  114.034   25.195 30.07725 31.80570 
1 1 1    0   13   37 o  151.369   15.366  421.830   82.208  421.042  116.192  422.620  116.327  151.225   21.739  151.513   21.723 -0.2876129 30.73177 
1 1 1    0   13   39 o  165.963   15.639  514.708   91.575  548.081  129.484  481.311  129.529  171.656   21.342  160.270   22.866 11.38599 31.27855 
1 1 1    0   13   41 o   83.448   15.335  137.402   45.953  116.632   64.859  158.337   65.117   77.050   22.447   89.846   20.900 -12.79593 30.67008 
1 1 1    0   13   43 o   56.923   13.239   60.953   30.841   57.771   43.223   64.254   44.019   55.741   18.652   58.105   18.794 -2.363720 26.47849 
1 1 1    0   14    0 o  888.148   26.535 14010.95  832.894 13809.60  1177.87 14212.30  1177.91  881.734   37.796  894.562   37.255 -12.82837 53.06990 
1 1 1    0   14    2 o  561.899   14.260  5596.32  283.191  5527.90  400.478  5664.75  400.507  558.454   20.289  565.345   20.044 -6.890442 28.52036 
1 1 1    0   14    4 o  715.950   16.291  9094.92  412.226  9194.62  582.967  8995.22  582.984  719.890   22.912  712.010   23.166 7.879883 32.58233 
1 1 1    0   14    6 o  789.472   17.338 11066.81  483.761 11185.67  684.129 10947.93  684.154  793.732   24.386  785.212   24.652 8.520020 34.67550 
1 1 1    0   14    8 o  1008.12   20.630 18087.47  735.057 18218.36  1039.52 17956.58  1039.54  1011.80   29.068  1004.45   29.281 7.347229 41.25958 
1 1 1    0   14   10 o  724.522   20.054  9306.87  485.001  9225.19  593.987  9470.26  840.090  720.658   23.320  728.385   32.632 -7.727234 40.10822 
1 1 1    0   14   12 o  249.540   13.355  1068.40  112.603  1225.82  194.975  989.614  137.931  262.773   20.993  236.307   16.515 26.46617 26.71032 
1 1 1    0   14   14 o  1077.56   26.920 20943.07  964.466 20743.98  1670.42 21042.63  1181.26  1070.38   44.154  1084.74   30.810 -14.36096 53.84072 
1 1 1    0   14   16 o  149.289   15.017  396.698   79.237  392.664  111.824  400.766  112.294  148.523   21.302  150.054   21.173 -1.531036 30.03475 
1 1 1    0   14   18 o  217.222   15.991  958.428  105.253  1144.73  128.908  585.812  182.305  253.950   14.362  180.494   28.577 73.45561 31.98287 
1 1 1    0   14   20 o  170.460   10.913  518.231   65.496  569.745   92.587  466.632   92.664  179.018   14.633  161.902   16.193 17.11571 21.82540 
1 1 1    0   14   22 o  257.623   14.913  1251.89  123.954  1363.56  151.781  1028.27  214.786  276.644   15.523  238.602   25.469 38.04190 29.82663 
1 1 1    0   14   24 o  252.051   13.185  1104.84  112.101  1032.69  137.272  1249.30  194.230  240.490   16.150  263.611   20.846 -23.12157 26.37019 
1 1 1    0   14   26 o   59.785   13.251   63.600   31.160   61.589   44.086   65.608   44.047   59.065   18.777   60.506   18.702 -1.440468 26.50183 
1 1 1    0   14   28 o  234.108   13.800  975.035  108.331  1024.95  187.155  949.886  132.848  237.901   22.258  230.314   16.320 7.587341 27.59986 
1 1 1    0   14   30 o  233.318   13.581  1061.99  100.198  776.374  172.493  1207.45  123.095  206.503   23.633  260.132   13.388 -53.62842 27.16211 
1 1 1    0   14   32 o  179.949   15.449  589.267   98.255  582.554  138.993  595.972  138.913  178.893   21.983  181.006   21.714 -2.112778 30.89847 
1 1 1    0   14   34 o  243.978   14.062  1099.97  113.417  1027.11  195.152  1137.13  139.370  236.500   23.347  251.455   15.681 -14.95509 28.12418 
1 1 1    0   14   36 o   53.231   12.539   48.767   27.754   41.697   39.104   55.944   39.396   50.595   17.717   55.866   17.749 -5.271214 25.07815 
1 1 1    0   14   38 o   79.938   15.193  122.969   43.892  129.755   61.976  116.141   62.170   82.084   21.210   77.791   21.759 4.293053 30.38651 
1 1 1    0   14   40 o   88.442   15.236  154.460   47.891  192.595   67.896  116.699   67.562   99.727   19.959   77.156   23.025 22.57052 30.47133 
1 1 1    0   14   42 o  157.449   16.032  490.719   89.215  489.934  126.094  491.505  126.245  157.319   22.677  157.579   22.667 -0.2596893 32.06347 
1 1 1    0   15    1 o  809.530   17.607 11644.82  503.710 11422.13  712.330 11867.53  712.378  801.747   25.138  817.313   24.660 -15.56641 35.21418 
1 1 1    0   15    3 o  700.251   16.021  8716.86  395.740  8085.62  559.631  9348.25  559.692  674.743   23.466  725.758   21.819 -51.01495 32.04272 
1 1 1    0   15    5 o  530.998   13.869  5003.88  260.069  4763.12  367.770  5244.71  367.817  518.168   20.081  543.829   19.136 -25.66034 27.73861 
1 1 1    0   15    7 o  728.334   20.205  9442.62  490.368  9473.43  849.299  9427.21  600.592  728.251   32.996  728.417   23.328 -0.1658936 40.40947 
1 1 1    0   15    9 o  488.883   26.905  4257.11  464.899  4257.11  464.899   0.0000   0.0000  488.883   26.905  ?   ?       ?      ? 
1 1 1    0   15   11 o  794.272   24.978 11335.79  700.166 12033.24  990.159 10638.26  990.209  819.118   34.201  769.426   36.412 49.69165 49.95506 
1 1 1    0   15   13 o  467.095   15.749  3823.36  246.860  3694.86  302.302  4080.57  427.683  456.017   18.756  478.174   25.306 -22.15616 31.49855 
1 1 1    0   15   15 o  315.771   11.711  1771.56  130.708  1770.26  184.786  1772.86  184.911  315.655   16.563  315.887   16.562 -0.2320862 23.42282 
1 1 1    0   15   17 f  418.818   12.610  3125.43  186.571  3015.93  263.793  3235.02  263.909  411.418   18.141  426.217   17.519 -14.79907 25.21904 
1 1 1    0   15   19 f  261.194   11.367  1215.65  104.895  1256.35  148.284  1174.88  148.404  265.607   15.796  256.780   16.352 8.826996 22.73498 
1 1 1    0   15   21 o  187.795   13.325  628.200   83.570  640.540  144.617  622.014  102.398  188.790   21.673  186.801   15.509 1.989105 26.65075 
1 1 1    0   15   23 o  395.396   18.259  2846.34  254.162  3128.59  359.318  2563.70  359.562  415.610   24.461  375.182   27.115 40.42883 36.51802 
1 1 1    0   15   25 o  102.527   10.602  187.793   38.399  193.758   54.156  181.763   54.454  104.185   14.707  100.869   15.274 3.315819 21.20343 
1 1 1    0   15   27 o  234.476   13.711  989.876  107.027  989.338  131.079  990.952  185.382  235.124   15.773  233.828   22.431 1.296738 27.42162 
1 1 1    0   15   29 o   46.798   11.551   35.068   23.500   34.801   33.089   35.341   33.381   46.652   16.299   46.944   16.373 -0.2919006 23.10283 
1 1 1    0   15   31 f  336.918   14.866  2082.77  165.980  1998.64  286.506  2125.27  203.632  330.079   24.558  343.756   16.760 -13.67688 29.73219 
1 1 1    0   15   33 o  124.336   15.998  291.196   67.714  293.969   95.740  288.419   95.783  124.980   22.501  123.692   22.747 1.288353 31.99609 
1 1 1    0   15   35 o   63.330   13.044   64.403   32.368  118.510   52.204   30.612   41.255   79.112   18.924   47.548   17.957 31.56345 26.08804 
1 1 1    0   15   37 o  120.245   15.727  274.271   65.365  295.404   92.509  253.200   92.372  126.217   20.737  114.273   23.650 11.94386 31.45373 
1 1 1    0   15   39 o  118.117   16.323  274.754   65.700  277.790   93.022  271.733   92.805  118.836   22.978  117.399   23.189 1.436935 32.64539 
1 1 1    0   15   41 o  107.743   16.438  237.288   60.775  249.149   86.111  225.515   85.787  110.790   22.752  104.696   23.731 6.094078 32.87601 
1 1 1    0   16    0 o  1133.09   32.087 22961.37  1283.58 24199.91  1815.25 21722.83  1815.25  1164.01   44.122  1102.16   46.598 61.85229 64.17309 
1 1 1    0   16    2 o  130.118   12.498  286.210   55.168  350.215   95.489  254.142   67.589  140.485   19.231  119.751   15.969 20.73444 24.99686 
1 1 1    0   16    4 o  206.236   15.627  758.545  113.309  847.439  160.218  669.594  160.269  218.435   20.752  194.036   23.369 24.39848 31.25362 
1 1 1    0   16    6 o  604.170   21.017  6523.42  448.670  6339.71  634.472  6707.19  634.560  595.565   30.141  612.774   29.299 -17.20844 42.03486 
1 1 1    0   16    8 o  652.414   31.105  7623.78  717.266  7623.78  717.266   0.0000   0.0000  652.414   31.105  ?   ?       ?      ? 
1 1 1    0   16   10 o  547.518   14.071  5334.18  272.097  5099.41  384.762  5569.06  384.844  535.384   20.333  559.652   19.456 -24.26807 28.14184 
1 1 1    0   16   12 o  380.469   12.211  2574.98  164.032  2435.75  231.924  2714.33  232.030  370.111   17.729  390.827   16.797 -20.71567 24.42290 
1 1 1    0   16   14 o  482.539   16.721  4224.44  266.788  4012.38  462.049  4330.50  326.762  472.145   27.688  492.934   18.755 -20.78851 33.44230 
1 1 1    0   16   16 o  189.205   11.066  640.026   73.495  725.165  103.906  554.784  103.969  201.945   14.557  176.466   16.670 25.47893 22.13128 
1 1 1    0   16   18 o   79.115   11.406  115.990   31.305  152.495   44.163   79.119   44.383   92.607   13.492   65.622   18.395 26.98550 22.81297 
1 1 1    0   16   20 o  163.781   10.808  478.639   62.508  500.836   88.304  456.347   88.495  167.626   14.905  159.937   15.655 7.688629 21.61536 
1 1 1    0   16   22 o  248.461   13.741  1106.28  113.795  1100.92  139.358  1117.01  197.133  248.229   15.884  248.693   22.427 -0.4639435 27.48244 
1 1 1    0   16   24 o  136.279   13.060  333.695   59.312  333.210  102.492  333.939   72.726  135.836   21.348  136.723   15.050 -0.8867645 26.11956 
1 1 1    0   16   26 o  234.283   10.880  983.476   89.832  895.967  126.786  1071.70  127.300  223.678   16.037  244.888   14.708 -21.21017 21.76008 
1 1 1    0   16   28 o  182.503   13.712  614.091   82.241  639.388  100.703  563.432  142.507  189.014   15.074  175.991   22.910 13.02295 27.42426 
1 1 1    0   16   30 o  142.158   14.174  382.880   63.781  405.376   78.100  337.836  110.513  150.413   14.691  133.903   24.243 16.51044 28.34722 
1 1 1    0   16   32 o  228.020   15.947  953.889  128.442  917.877  181.667  989.883  181.621  223.552   22.992  232.489   22.103 -8.936813 31.89302 
1 1 1    0   16   34 o   96.681   15.792  179.111   52.907  188.339   74.790  169.868   74.852   99.300   21.898   94.061   22.761 5.239342 31.58482 
1 1 1    0   16   36 o  194.455   14.205  700.314   92.377  697.252  157.866  701.908  113.916  192.682   23.181  196.229   16.425 -3.547226 28.40996 
1 1 1    0   16   38 o  151.516   15.693  439.298   83.576  389.532  118.058  489.296  118.333  142.216   23.487  160.817   20.819 -18.60132 31.38553 
1 1 1    0   16   40 o   23.145   9.7045   1.8111   13.376   0.0000   0.0000   1.8111   13.376  ?   ?    23.145   9.7045      ?      ? 
1 1 1    0   17    3 o  604.103   21.064  6544.88  449.315  6213.75  635.390  6876.09  635.463  588.593   30.543  619.612   29.017 -31.01965 42.12867 
1 1 1    0   17    5 o  523.164   13.828  4868.96  255.657  4776.66  361.535  4961.27  361.573  518.173   19.740  528.156   19.369 -9.983398 27.65595 
1 1 1    0   17    7 o  946.397   28.385 16314.67  949.353 16023.19  1342.57 16606.16  1342.60  937.683   40.510  955.110   39.772 -17.42761 56.77007 
1 1 1    0   17    9 o  653.800   15.521  7634.02  358.625  7493.96  507.147  7774.11  507.199  647.739   22.152  659.861   21.747 -12.12262 31.04285 
1 1 1    0   17   11 o   97.080   10.401  167.752   35.584  152.814   50.256  182.768   50.390   92.716   15.336  101.444   14.054 -8.728470 20.80158 
1 1 1    0   17   13 o   74.049   10.858  101.299   27.492   89.776   38.776  112.946   38.983   69.636   16.080   78.461   14.594 -8.824852 21.71515 
1 1 1    0   17   15 o  314.739   11.798  1767.92  131.118  1856.19  185.401  1679.59  185.457  322.677   16.256  306.801   17.103 15.87616 23.59603 
1 1 1    0   17   17 o  464.022   13.156  3855.63  215.627  3698.56  304.880  4012.82  305.005  454.443   18.981  473.602   18.221 -19.15936 26.31165 
1 1 1    0   17   19 o  517.998   13.738  4823.50  250.922  4446.53  354.771  5200.84  354.944  497.400   20.180  538.596   18.646 -41.19672 27.47528 
1 1 1    0   17   21 o  285.810   11.603  1462.15  117.128  1525.54  165.592  1398.68  165.696  292.091   16.040  279.530   16.771 12.56082 23.20669 
1 1 1    0   17   23 o  192.127   10.831  660.254   73.486  628.151  103.830  692.476  104.021  187.393   15.677  196.861   14.950 -9.468567 21.66236 
1 1 1    0   17   25 o  192.033   12.766  636.199   82.992  576.314  101.634  756.034  143.772  179.366   16.032  204.701   19.872 -25.33427 25.53231 
1 1 1    0   17   27 o  258.015   10.983  1193.97   99.983  1107.97  140.869  1281.28  141.933  248.527   16.037  267.504   15.012 -18.97714 21.96672 
1 1 1    0   17   29 o  301.344   11.465  1634.08  121.888  1514.70  171.757  1755.20  173.001  290.073   16.753  312.615   15.657 -22.54251 22.93047 
1 1 1    0   17   31 o  152.363   12.697  408.874   65.200  383.931   79.852  458.767  112.935  146.058   15.468  158.667   20.138 -12.60938 25.39317 
1 1 1    0   17   33 o  127.454   15.789  305.797   69.197  269.296   97.805  342.380   97.915  118.334   24.201  136.573   20.284 -18.23862 31.57741 
1 1 1    0   17   35 o  171.466   22.126  550.270  134.089   0.0000   0.0000  550.270  134.089  ?   ?   171.466   22.126      ?      ? 
1 1 1    0   18    0 o  357.553   17.137  2277.41  216.130  2443.84  305.650  2110.98  305.658  370.723   23.327  344.384   25.112 26.33960 34.27430 
1 1 1    0   18    2 o  328.898   14.246  1901.32  157.144  1842.55  192.446  2018.93  272.223  321.833   16.918  335.963   22.925 -14.12982 28.49196 
1 1 1    0   18    4 o  222.630   15.635  887.000  122.863  938.983  173.767  835.031  173.742  229.236   21.447  216.025   22.755 13.21034 31.26922 
1 1 1    0   18    6 o  105.389   15.782  207.129   57.055  243.905   80.652  170.287   80.725  115.170   20.568   95.608   23.942 19.56207 31.56344 
1 1 1    0   18    8 o  298.683   14.207  1594.42  141.328  1595.06  244.765  1594.11  173.099  298.160   23.226  299.207   16.368 -1.046814 28.41443 
1 1 1    0   18   10 o  253.186   11.276  1142.97  100.748  1215.99  142.460  1069.91  142.497  261.349   15.422  245.023   16.454 16.32555 22.55203 
1 1 1    0   18   12 o  263.590   11.472  1242.82  106.349  1383.60  150.372  1101.93  150.428  278.708   15.265  248.472   17.129 30.23535 22.94385 
1 1 1    0   18   14 o   58.089   10.531   62.509   22.172   79.828   31.182   44.797   31.534   65.756   13.854   50.423   15.864 15.33344 21.06167 
1 1 1    0   18   16 o  298.803   11.405  1598.97  119.927  1428.45  169.513  1769.84  169.691  282.642   16.969  314.965   15.243 -32.32230 22.80987 
1 1 1    0   18   18 o   78.624   11.155  113.526   30.367  134.469   42.769   92.234   43.123   86.854   13.932   70.395   17.425 16.45889 22.31013 
1 1 1    0   18   20 o  251.203   11.246  1128.84   99.834  1107.12  141.132  1150.59  141.241  248.756   16.052  253.650   15.755 -4.894104 22.49163 
1 1 1    0   18   22 o  326.515   14.856  1953.04  160.202  2004.73  196.206  1849.67  277.480  334.447   16.598  318.584   24.643 15.86331 29.71140 
1 1 1    0   18   24 o  264.365   13.347  1229.59  118.480  1168.35  144.777  1353.77  206.157  255.334   16.042  273.396   21.335 -18.06239 26.69320 
1 1 1    0   18   26 o  117.214   13.981  263.624   51.887  283.965   63.600  223.140   89.724  125.970   14.285  108.457   24.038 17.51302 27.96188 
1 1 1    0   18   28 o  146.646   10.992  388.732   56.559  435.112   79.195  340.448   80.803  155.803   14.381  137.490   16.628 18.31245 21.98420 
1 1 1    0   18   30 o  218.695   11.019  861.638   85.129  823.250  119.360  901.381  121.448  213.679   15.804  223.712   15.360 -10.03333 22.03850 
1 1 1    0   18   32 o  222.195   13.837  908.182  102.474  896.221  176.049  914.311  126.023  219.702   22.671  224.688   15.869 -4.985641 27.67349 
1 1 1    0   18   34 o   93.874   25.548  174.350   87.031   0.0000   0.0000  174.350   87.031  ?   ?    93.874   25.548      ?      ? 
1 1 1    0   18   36 o   70.054   20.736   95.397   54.963   95.397   54.963   0.0000   0.0000   70.054   20.736  ?   ?       ?      ? 
1 1 1    0   18   38 o   94.527   16.303  184.277   53.979  186.753   76.206  181.783   76.471   95.249   22.915   93.804   23.195 1.444962 32.60567 
1 1 1    0   19    1 o  259.172   11.261  1196.45  103.145  1179.08  145.855  1213.82  145.882  257.277   16.040  261.068   15.810 -3.791260 22.52171 
1 1 1    0   19    3 o  326.306   11.816  1900.27  136.051  2025.18  192.411  1775.37  192.400  337.137   16.147  315.476   17.255 21.66016 23.63216 
1 1 1    0   19    5 o  135.679   10.573  327.765   50.688  337.076   71.672  318.447   71.697  137.621   14.735  133.736   15.168 3.885071 21.14673 
1 1 1    0   19    7 o  207.909   13.011  754.476   91.040  715.752  111.462  832.089  157.799  200.404   15.736  215.415   20.726 -15.01067 26.02271 
1 1 1    0   19    9 o  168.299   13.082  503.444   73.535  496.732   90.038  516.892  127.436  166.954   15.258  169.644   21.254 -2.690094 26.16365 
1 1 1    0   19   11 o  229.993   15.756  952.788  128.080  950.027  181.110  955.551  181.155  229.654   22.312  230.333   22.252 -0.6784821 31.51209 
1 1 1    0   19   13 o  157.671   12.946  436.092   68.679  475.953  118.836  416.101   84.156  162.668   20.669  152.673   15.596 9.994980 25.89284 
1 1 1    0   19   15 o  136.747   14.741  377.361   61.027  257.701  105.516  437.508   74.808  116.789   26.206  156.706   13.506 -39.91650 29.48195 
1 1 1    0   19   17 o   58.458   10.411   63.326   21.624   53.379   30.420   73.486   30.745   53.958   15.266   62.959   14.160 -9.001331 20.82186 
1 1 1    0   19   19 o  306.914   11.738  1687.93  127.328  1706.65  179.988  1669.17  180.151  308.643   16.499  305.184   16.701 3.458649 23.47696 
1 1 1    0   19   21 o  286.599   11.500  1473.27  116.343  1558.27  164.512  1388.22  164.554  294.992   15.779  278.205   16.735 16.78772 23.00046 
1 1 1    0   19   23 o   91.269   11.458  154.043   35.576  188.953   50.211  118.849   50.414  102.838   13.814   79.700   18.285 23.13859 22.91677 
1 1 1    0   19   25 o  168.394   15.849  518.165   94.173  542.940  131.915  492.415  134.484  172.691   21.612  164.097   23.187 8.594208 31.69775 
1 1 1    0   19   27 o  212.400   15.505  811.214  116.396   0.0000   0.0000  811.214  116.396  ?   ?   212.400   15.505      ?      ? 
1 1 1    0   19   29 o  196.798   14.852  710.205  102.198  582.135  141.314  850.635  147.976  177.665   22.504  215.930   19.389 -38.26418 29.70479 
1 1 1    0   19   31 o   80.126   13.281   95.591   31.442   75.145   35.016  180.675   71.432   63.177   15.740   97.075   21.396 -33.89757 26.56132 
1 1 1    0   19   33 o  103.453   13.541  200.818   45.671  198.794   55.965  204.854   79.024  104.441   15.161  102.465   22.442 1.976128 27.08291 
1 1 1    0   19   35 o   75.891   15.032  113.840   42.250  131.003   59.718   96.640   59.784   81.365   20.712   70.417   21.792 10.94737 30.06492 
1 1 1    0   19   37 o  131.451   16.815  355.485   75.245  358.870  106.364  352.093  106.461  132.205   23.630  130.697   23.928 1.507904 33.62953 
1 1 1    0   20    0 o  315.200   16.506  1776.39  183.449  1635.73  259.371  1917.19  259.503  302.568   24.254  327.832   22.396 -25.26346 33.01245 
1 1 1    0   20    2 o  268.371   11.329  1285.68  107.389  1337.23  151.863  1234.11  151.879  273.807   15.692  262.935   16.343 10.87183 22.65707 
1 1 1    0   20    4 o  368.129   12.221  2426.32  158.626  2619.66  224.338  2233.00  224.325  382.987   16.573  353.271   17.966 29.71637 24.44251 
1 1 1    0   20    6 f   83.786   12.548  121.881   34.616  101.946   42.356  161.980   60.071   74.112   16.584   93.459   18.836 -19.34656 25.09631 
1 1 1    0   20    8 o   65.906   10.964   80.629   25.116   82.934   35.406   78.294   35.632   66.867   15.311   64.946   15.697 1.920250 21.92775 
1 1 1    0   20   10 o  305.142   11.631  1664.96  125.430  1643.23  177.339  1686.71  177.431  303.128   16.552  307.157   16.344 -4.029266 23.26145 
1 1 1    0   20   12 o  172.657   13.085  532.104   75.415  526.071   92.343  544.188  130.684  171.627   15.223  173.688   21.288 -2.061279 26.17082 
1 1 1    0   20   14 o  294.671   14.138  1554.49  139.073  1535.17  170.292  1593.18  240.984  292.836   16.453  296.506   22.995 -3.669830 28.27509 
1 1 1    0   20   16 o   86.353   15.081  140.026   45.869  154.733   65.059  125.489   64.681   90.844   20.721   81.863   21.918 8.981300 30.16261 
1 1 1    0   20   18 o  207.270   15.638  778.880  114.554  766.874  162.016  790.881  161.991  205.631   22.292  208.909   21.939 -3.277954 31.27693 
1 1 1    0   20   20 o  264.879   13.913  1254.41  123.264  1305.10  213.471  1229.05  150.976  267.979   22.538  261.778   16.318 6.200806 27.82501 
1 1 1    0   20   22 f  221.350   13.985  911.684  101.412  816.447  175.385  959.519  124.298  211.344   23.479  231.356   15.201 -20.01109 27.97020 
1 1 1    0   20   24 o  406.245   18.086  3047.64  259.631  2969.94  366.548  3125.88  367.803  400.846   25.872  411.644   25.280 -10.79822 36.17231 
1 1 1    0   20   26 o   87.849   22.013  146.889   68.212  146.889   68.212   0.0000   0.0000   87.849   22.013  ?   ?       ?      ? 
1 1 1    0   20   28 o  112.465   13.683  235.956   49.675  237.993   60.775  231.857   86.222  114.863   14.970  110.067   22.909 4.795708 27.36622 
1 1 1    0   20   30 o   56.336   11.176   57.786   23.069   47.823   30.319   71.486   35.554   51.094   15.464   61.577   16.140 -10.48340 22.35249 
1 1 1    0   20   32 o   48.905   10.522   43.487   19.560   40.854   25.393   47.329   30.674   47.089   14.130   50.721   15.595 -3.632172 21.04460 
1 1 1    0   20   34 f   73.386   14.783  106.532   40.574   88.670   57.302  124.491   57.459   67.588   21.399   79.184   20.403 -11.59623 29.56694 
1 1 1    0   20   36 o  162.900   16.274  535.606   93.658  520.327  132.510  550.859  132.393  160.239   23.397  165.562   22.625 -5.323166 32.54706 
1 1 1    0   21    1 o  289.319   11.536  1497.16  117.897  1554.24  166.730  1440.08  166.733  294.901   15.996  283.737   16.626 11.16409 23.07164 
1 1 1    0   21    3 o  204.926   10.936  750.084   79.202  761.226  112.004  738.940  112.012  206.465   15.348  203.388   15.582 3.077179 21.87168 
1 1 1    0   21    5 o  154.321   15.969  440.479   83.476  530.473  118.070  350.535  118.037  171.790   19.446  136.852   25.336 34.93842 31.93842 
1 1 1    0   21    7 o   95.950   10.823  168.716   35.212  133.528   49.730  204.097   49.866   84.865   17.169  107.036   13.181 -22.17030 21.64523 
1 1 1    0   21    9 o  240.762   11.160  1036.78   94.942  1062.22  134.219  1011.29  134.317  243.756   15.579  237.769   15.983 5.986435 22.31940 
1 1 1    0   21   11 o  226.326   11.013  916.544   88.026  873.800  124.429  959.367  124.545  220.979   15.931  231.673   15.210 -10.69424 22.02615 
1 1 1    0   21   13 o   79.339   11.691  119.055   32.740  174.886   46.105   62.267   46.499   99.039   13.171   59.638   19.318 39.40088 23.38114 
1 1 1    0   21   15 o  155.620   10.766  434.479   58.965  479.802   83.332  389.032   83.445  163.873   14.387  147.367   16.021 16.50528 21.53279 
1 1 1    0   21   17 o  243.971   13.991  1091.42  112.668  1026.19  194.985  1124.11  138.047  237.426   23.236  250.516   15.591 -13.09071 27.98154 
1 1 1    0   21   19 o  364.591   24.778  2437.79  319.296  2437.79  319.296   0.0000   0.0000  364.591   24.778  ?   ?       ?      ? 
1 1 1    0   21   23 o  339.647   17.261  2128.51  207.209  2139.14  293.126  2117.89  292.950  340.528   24.355  338.766   24.467 1.761536 34.52192 
1 1 1    0   21   25 o  104.486   14.256  202.204   51.173  139.351   69.482  276.711   75.649   85.417   22.647  123.555   17.323 -38.13779 28.51261 
1 1 1    0   21   27 o  259.534   11.189  1221.58  102.412  1125.68  144.259  1319.02  145.412  249.021   16.390  270.046   15.235 -21.02461 22.37737 
1 1 1    0   21   29 o  151.303   10.378  416.536   54.900  342.549   76.484  495.177   78.852  137.094   15.784  165.512   13.479 -28.41829 20.75663 
1 1 1    0   21   31 o   63.511   10.546   74.155   23.378   54.454   30.727  101.234   36.023   53.760   15.389   73.262   14.425 -19.50242 21.09280 
1 1 1    0   21   33 o  111.938   16.678  255.931   63.926  233.254   90.536  278.477   90.274  106.230   24.598  117.646   22.531 -11.41602 33.35699 
1 1 1    0   22    0 o  386.436   17.573  2679.24  239.995  2642.42  339.401  2716.07  339.407  383.740   25.024  389.132   24.678 -5.391907 35.14523 
1 1 1    0   22    2 o  309.981   11.727  1721.59  128.425  1777.48  181.607  1665.69  181.634  315.083   16.308  304.879   16.856 10.20486 23.45324 
1 1 1    0   22    4 o  257.715   13.623  1176.88  117.763  1254.51  203.960  1138.06  144.234  263.302   21.916  252.127   16.186 11.17493 27.24527 
1 1 1    0   22    6 o  221.896   10.941  880.737   85.798  866.118  121.277  895.384  121.395  220.031   15.595  223.760   15.350 -3.728973 21.88156 
1 1 1    0   22    8 o   59.648   10.705   66.057   22.607   66.049   31.848   66.064   32.094   59.643   15.095   59.653   15.184 -0.1007462E-01 21.41010 
1 1 1    0   22   10 o   89.756   10.628  146.954   32.686  125.291   46.064  168.923   46.388   82.209   16.428   97.302   13.488 -15.09377 21.25605 
1 1 1    0   22   12 o  185.953   14.405  689.208   83.169  469.871  143.781  799.499  101.957  160.275   25.381  211.632   13.631 -51.35641 28.80993 
1 1 1    0   22   14 o  292.549   16.574  1559.93  171.357  1581.55  242.206  1538.25  242.464  294.647   23.257  290.450   23.619 4.197784 33.14744 
1 1 1    0   22   16 o  247.386   13.877  1107.32  114.147  1107.31  139.683  1107.33  198.044  248.374   15.912  246.398   22.741 1.976669 27.75477 
1 1 1    0   22   18 o  163.929   11.056  483.860   63.827  528.791   90.045  438.487   90.487  171.729   14.835  156.130   16.398 15.59883 22.11264 
1 1 1    0   22   20 o  167.388   10.556  504.110   62.223  453.527   87.741  555.286   88.254  158.796   15.633  175.980   14.189 -17.18434 21.11212 
1 1 1    0   22   22 o  195.952   10.930  691.930   75.679  672.113  106.685  712.003  107.370  193.085   15.633  198.820   15.279 -5.734863 21.85952 
1 1 1    0   22   24 o  110.110   13.545  223.646   48.506  220.396   59.415  230.142   83.995  110.470   15.217  109.750   22.411 0.7194214 27.08935 
1 1 1    0   22   28 o   69.894   12.560   98.126   31.411   66.566   51.272  117.089   39.743   60.787   20.315   79.001   14.777 -18.21378 25.12059 
1 1 1    0   22   30 o  136.323   10.522  341.795   50.475  301.202   70.084  385.542   72.755  127.676   15.531  144.969   14.199 -17.29271 21.04332 
1 1 1    0   22   32 o  207.413   14.171  829.167   98.369  853.068  168.484  816.807  121.164  206.645   23.068  208.182   16.467 -1.536194 28.34254 
1 1 1    0   23    1 o  345.974   11.964  2153.14  145.707  2373.16  206.089  1933.24  206.034  363.961   16.021  327.988   17.773 35.97369 23.92779 
1 1 1    0   23    3 o  147.997   12.762  381.953   63.738  433.741  110.389  356.053   78.066  154.980   20.153  141.015   15.663 13.96538 25.52368 
1 1 1    0   23    5 o   75.238   13.155  104.202   33.505  110.260   57.301  101.054   41.300   76.793   20.660   73.684   16.291 3.108841 26.31016 
1 1 1    0   23    7 f  168.284   13.634  533.810   74.391  447.950  128.531  577.060   91.223  156.891   23.179  179.678   14.364 -22.78783 27.26890 
1 1 1    0   23    9 o  206.752   15.517  776.994  113.206  726.274  159.918  827.942  160.277  199.803   22.645  213.702   21.220 -13.89986 31.03366 
1 1 1    0   23   11 o  168.930   12.809  505.906   72.548  488.229   88.777  541.442  125.871  165.050   15.218  172.810   20.608 -7.760010 25.61800 
1 1 1    0   23   13 o  209.949   11.065  791.753   82.015  832.543  115.870  750.799  116.104  215.460   15.215  204.437   16.068 11.02260 22.12906 
1 1 1    0   23   15 o  135.426   11.001  331.574   52.150  382.362   73.591  280.338   73.914  146.088   14.252  124.764   16.762 21.32423 22.00193 
1 1 1    0   23   17 o  240.284   11.189  1040.33   94.831  963.911  134.026  1116.95  134.196  231.277   16.396  249.292   15.230 -18.01491 22.37843 
1 1 1    0   23   19 o  172.146   10.798  533.946   65.665  552.197   92.644  515.520   93.086  175.168   14.964  169.124   15.572 6.043762 21.59662 
1 1 1    0   23   21 f   28.938   7.7777   9.6282   11.466   16.927   15.124  -0.2355   17.582   32.172   11.032   25.704   10.967 6.468050 15.55539 
1 1 1    0   23   23 o  201.198   10.734  735.812   75.740  629.395  106.589  844.343  107.643  186.109   16.204  216.288   14.081 -30.17825 21.46731 
1 1 1    0   23   25 o  163.557   10.793  487.729   62.203  442.429   87.565  533.872   88.376  155.671   15.915  171.444   14.585 -15.77271 21.58684 
1 1 1    0   23   27 o   76.598   13.382  105.934   35.491  153.995   58.997   78.677   44.429   89.107   19.292   64.089   18.551 25.01795 26.76416 
1 1 1    0   23   29 o  153.698   14.022  464.346   70.241  488.031   86.084  417.161  121.502  162.285   15.008  145.110   23.690 17.17522 28.04387 
1 1 1    0   24    0 o  441.053   26.099  3509.53  406.843   0.0000   0.0000  3509.53  406.843  ?   ?   441.053   26.099      ?      ? 
1 1 1    0   24    2 o  416.444   18.351  3195.51  269.561  3421.00  381.237  2970.07  381.196  431.761   24.982  401.126   26.887 30.63437 36.70203 
1 1 1    0   24    4 o  176.525   21.855  567.053  136.360  567.053  136.360   0.0000   0.0000  176.525   21.855  ?   ?       ?      ? 
1 1 1    0   24    6 o  416.887   16.299  3243.38  223.090  3377.30  273.207  2975.40  386.466  432.801   17.860  400.972   27.270 31.82849 32.59767 
1 1 1    0   24    8 o  160.068   10.668  459.617   60.323  442.318   85.140  477.053   85.479  157.003   15.343  163.133   14.825 -6.130234 21.33517 
1 1 1    0   24   10 f  241.249   11.172  1046.00   95.261  1034.10  134.641  1057.92  134.798  239.855   15.882  242.643   15.718 -2.788269 22.34489 
1 1 1    0   24   12 o  117.438   10.948  250.837   44.622  303.722   62.993  197.573   63.219  130.228   13.686  104.648   17.092 25.58030 21.89603 
1 1 1    0   24   14 o   64.209   10.075   76.774   23.720   36.251   33.426  117.876   33.664   47.174   16.388   81.245   11.723 -34.07090 20.14934 
1 1 1    0   24   16 o  193.793   11.031  678.032   75.430  721.200  106.589  634.725  106.760  200.109   15.070  187.477   16.112 12.63141 22.06132 
1 1 1    0   24   18 o   64.290   9.7737   76.631   22.754   36.088   31.569  120.468   32.826   46.506   15.939   82.074   11.316 -35.56787 19.54742 
1 1 1    0   24   20 o  174.906   11.143  556.688   68.563  615.643   96.769  497.258   97.157  184.491   14.840  165.322   16.627 19.16855 22.28679 
1 1 1    0   24   22 o  107.911   10.646  212.081   40.337  182.865   56.493  242.469   57.615  100.127   15.963  115.695   14.090 -15.56787 21.29191 
1 1 1    0   24   24 o   97.359   11.071  173.960   38.076  176.182   53.204  171.626   54.515   98.066   15.350   96.652   15.958 1.414276 22.14241 
1 1 1    0   24   26 o  116.307   13.961  254.152   51.848  243.137   62.221  279.177   93.784  114.654   15.354  117.960   23.321 -3.306480 27.92152 
1 1 1    0   24   28 o   63.448   11.205   77.695   24.963   71.282   33.501   85.700   37.429   60.596   15.561   66.299   16.127 -5.703434 22.41074 
1 1 1    0   25    1 o   72.867   20.783   99.181   56.147   99.181   56.147   0.0000   0.0000   72.867   20.783  ?   ?       ?      ? 
1 1 1    0   25    3 o  247.090   16.115  1118.78  140.731  1129.49  199.017  1108.07  199.029  248.317   22.676  245.863   22.904 2.453476 32.23000 
1 1 1    0   25    5 o  218.378   13.482  855.103   98.558  896.084  170.636  834.587  120.734  221.396   21.806  215.360   15.862 6.035599 26.96482 
1 1 1    0   25    7 o  193.543   11.069  675.529   75.472  736.020  106.636  614.817  106.831  202.405   14.906  184.681   16.366 17.72449 22.13713 
1 1 1    0   25    9 o  126.137   10.654  286.228   47.483  277.462   67.082  295.030   67.221  124.169   15.285  128.105   14.846 -3.935898 21.30838 
1 1 1    0   25   11 o  174.575   10.858  549.307   66.978  564.573   94.745  534.057   94.697  177.047   15.141  172.103   15.568 4.944000 21.71624 
1 1 1    0   25   13 o  164.750   10.562  492.966   60.660  399.456   85.475  587.849   86.100  148.585   16.276  180.915   13.465 -32.33002 21.12366 
1 1 1    0   25   15 o  120.391   10.652  262.602   45.114  233.797   63.775  291.454   63.828  113.617   15.881  127.165   14.201 -13.54776 21.30472 
1 1 1    0   25   17 o  255.311   11.223  1185.71  101.006  1087.49  142.658  1284.44  143.032  244.407   16.514  266.214   15.201 -21.80727 22.44559 
1 1 1    0   25   19 o  119.032   10.948  258.854   45.865  283.549   64.580  233.723   65.149  124.970   14.621  113.095   16.298 11.87494 21.89542 
1 1 1    0   25   21 o  229.136   11.088  964.533   89.459  867.399  126.074  1063.04  126.960  217.088   16.431  241.184   14.894 -24.09647 22.17663 
1 1 1    0   25   23 o  140.015   12.908  353.206   61.155  318.667   74.879  422.396  105.980  131.064   16.164  148.965   20.129 -17.90044 25.81580 
1 1 1    0   25   25 o   54.779   10.977   57.339   22.153   54.156   29.929   61.195   32.946   53.201   15.174   56.357   15.867 -3.155983 21.95465 
1 1 1    0   26    0 o   90.104   15.488  152.270   49.019  171.697   69.318  132.837   69.329   95.862   21.036   84.345   22.739 11.51749 30.97695 
1 1 1    0   26    2 o  303.587   16.869  1709.29  180.847  1789.30  255.768  1629.29  255.745  311.043   23.265  296.132   24.434 14.91055 33.73880 
1 1 1    0   26    4 f  162.413   13.136  472.398   71.567  455.891   87.665  505.379  123.919  158.930   15.606  165.897   21.134 -6.966614 26.27154 
1 1 1    0   26    6 o   67.897   12.798   83.411   29.978   75.779   36.731   98.636   51.881   63.533   16.282   72.262   19.750 -8.729370 25.59628 
1 1 1    0   26    8 o  114.832   16.111  251.985   63.077  261.973   89.254  242.019   89.155  117.305   22.343  112.359   23.218 4.945923 32.22238 
1 1 1    0   26   10 o   75.472   12.827  100.548   32.461  136.055   56.509   83.061   39.656   84.584   19.325   66.360   16.871 18.22473 25.65310 
1 1 1    0   26   12 o  110.721   13.865  232.915   49.531  218.515   85.339  240.229   60.824  106.239   23.363  115.204   14.938 -8.964928 27.73002 
1 1 1    0   26   14 o  162.216   10.905  478.775   62.413  446.283   88.165  511.415   88.366  156.541   15.935  167.890   14.891 -11.34956 21.81002 
1 1 1    0   26   16 o  171.607   10.907  537.556   66.114  516.647   93.438  558.519   93.560  168.159   15.721  175.055   15.121 -6.896347 21.81311 
1 1 1    0   26   18 o   88.334   11.345  146.406   34.492  164.127   48.653  128.499   48.907   94.777   14.524   81.891   17.432 12.88589 22.68986 
1 1 1    0   26   20 o   47.169   10.746   40.249   20.602   47.935   28.553   31.900   29.757   50.522   14.943   43.815   15.447 6.706539 21.49187 
1 1 1    0   26   22 o   44.195   9.5575   35.200   16.414   27.130   21.929   45.481   24.753   39.443   13.285   48.947   13.743 -9.503849 19.11502 
1 1 1    0   27    1 o   81.978   15.281  129.105   45.030  142.487   64.011  115.996   63.358   86.092   21.181   77.863   22.032 8.228340 30.56248 
1 1 1    0   27    3 f  237.698   11.241  1026.32   94.417  999.271  133.438  1053.45  133.613  234.477   16.101  240.918   15.691 -6.440247 22.48260 
1 1 1    0   27    5 o   87.607   11.204  142.322   33.766  123.722   47.773  160.887   47.730   80.888   17.237   94.327   14.317 -13.43851 22.40740 
1 1 1    0   27    7 o  164.349   10.783  490.527   62.633  481.968   88.442  499.139   88.711  162.877   15.363  165.820   15.136 -2.942261 21.56688 
1 1 1    0   27    9 o  204.269   11.076  760.411   79.960  771.661  113.011  749.133  113.152  205.833   15.534  202.705   15.793 3.128174 22.15262 
1 1 1    0   27   11 o  122.001   13.954  283.817   54.699  289.744   67.075  272.050   94.512  126.077   15.052  117.924   23.501 8.153076 27.90796 
1 1 1    0   27   13 o   63.626   13.642   74.656   34.973  106.387   49.506   43.044   49.413   74.180   18.845   53.072   19.731 21.10742 27.28471 
1 1 1    0   27   15 o   73.799   14.392  106.182   39.731   76.183   55.957  136.682   56.422   63.948   21.217   83.651   19.452 -19.70307 28.78436 
1 1 1    0   27   17 f   49.779   11.367   45.131   22.177   44.349   37.394   45.555   27.544   50.284   17.341   49.274   14.701 1.009830 22.73351 
1 1 1    0   27   19 o   38.889   8.8385   25.732   14.896   40.672   20.541   9.1606   21.633   46.320   12.329   31.459   12.668 14.86157 17.67705 
1 1 1    0   28    0 o   55.684   18.757   52.920   43.712   0.0000   0.0000   52.920   43.712  ?   ?    55.684   18.757      ?      ? 
1 1 1    0   28    2 o  140.695   10.820  362.013   53.795  369.398   76.057  354.621   76.098  142.182   15.135  139.208   15.466 2.974258 21.63957 
1 1 1    0   28    4 o  160.280   10.986  471.868   61.968  520.210   87.631  423.513   87.642  168.815   14.687  151.745   16.341 17.06998 21.97107 
1 1 1    0   28    6 o  178.754   11.026  586.811   69.638  602.279   98.394  571.287   98.573  181.214   15.362  176.295   15.820 4.918091 22.05145 
1 1 1    0   28    8 f   44.705   9.8472   35.419   17.677   23.694   24.516   48.117   25.513   38.873   13.987   50.536   13.865 -11.66342 19.69431 
1 1 1    0   28   10 o  156.644   10.839  452.708   60.001  444.224   84.661  461.271   85.050  155.120   15.442  158.167   15.214 -3.047302 21.67729 
1 1 1    0   28   12 f   70.081   10.998   94.732   26.725   72.639   37.532  117.455   38.064   61.322   16.814   78.840   14.181 -17.51764 21.99559 
1 1 1    0   28   14 o   19.494   5.3479  -0.3292   6.4036   10.674   8.6519 -13.6589   9.5226   25.044   8.3446   13.945   6.6907 11.09878 10.69572 
1 1 1    0   28   16 o   35.878   9.8718   14.387   18.690   0.5188   27.532   26.242   25.454   31.807   13.650   39.949   14.264 -8.141706 19.74351 
1 1 1    0   29    1 o   53.187   10.695   53.761   21.108   48.927   29.637   58.736   30.069   50.967   15.259   55.408   14.991 -4.440357 21.39060 
1 1 1    0   29    3 o  133.264   10.875  329.787   51.207  338.418   72.384  321.139   72.453  135.101   15.159  131.426   15.597 3.674789 21.75006 
1 1 1    0   29    5 o   66.520   11.332   85.668   26.328   83.533   36.931   87.875   37.545   65.667   16.048   67.372   16.004 -1.705292 22.66424 
1 1 1    0   29    7 o   83.507   10.995  132.757   31.551  108.960   44.266  157.330   44.982   74.676   17.135   92.338   13.783 -17.66220 21.99044 
1 1 1    0   29    9 o   65.530   11.567   84.042   26.795   92.890   37.599   74.911   38.196   69.168   15.734   61.891   16.959 7.276871 23.13374 
1 1 1    0   29   11 o   50.332   11.604   45.756   22.695   52.169   39.489   42.594   27.732   53.030   17.828   47.634   14.859 5.395874 23.20838 
1 1 1    1    0    1 o   44.302   15.143   51.023   39.039   51.023   39.039   51.023   39.039   44.302   21.415   44.302   21.415 -0.000000 0.000000 
1 1 1    1    0    3 o  624.412   21.500  6950.93  667.422  6950.93  667.422  6950.93  667.422  624.412   30.406  624.412   30.406 -0.000000 0.000000 
1 1 1    1    0    5 f  489.427   13.372  4255.21  326.030  4255.21  326.030  4255.21  326.030  489.427   18.911  489.427   18.911 -0.000000 0.000000 
1 1 1    1    0    7 o  544.495   20.105  5292.59  543.767  5292.59  543.767  5292.59  543.767  544.495   28.432  544.495   28.432 -0.000000 0.000000 
1 1 1    1    0    9 o   47.028   13.252   54.069   30.132   54.069   30.132   54.069   30.132   47.028   18.740   47.028   18.740 -0.000000 0.000000 
1 1 1    1    0   11 o  347.210   12.367  2150.24  213.382  2150.24  213.382  2150.24  213.382  347.210   17.489  347.210   17.489 -0.000000 0.000000 
1 1 1    1    0   13 o  758.128   16.201 10212.00  612.658 10212.00  612.658 10212.00  612.658  758.128   22.912  758.128   22.912 -0.000000 0.000000 
1 1 1    1    0   15 o  269.463   10.425  1295.64  139.448  1295.64  139.448  1295.64  139.448  269.463   14.743  269.463   14.743 -0.000000 0.000000 
1 1 1    1    0   17 o  244.364   16.290  1084.71  194.909  1084.71  194.909  1084.71  194.909  244.364   23.037  244.364   23.037 -0.000000 0.000000 
1 1 1    1    0   19 o  1343.48   24.936 32074.57  1671.93 32074.57  1671.93 32074.57  1671.93  1343.48   35.265  1343.48   35.265 -0.000000 0.000000 
1 1 1    1    0   21 o  1455.25   26.512 37665.28  1925.61 37665.28  1925.61 37665.28  1925.61  1455.25   37.494  1455.25   37.494 -0.000000 0.000000 
1 1 1    1    0   23 o  521.892   12.463  4835.59  324.285  4835.59  324.285  4835.59  324.285  521.892   17.626  521.892   17.626 -0.000000 0.000000 
1 1 1    1    0   25 f  349.640   9.2119  2171.17  160.486  2171.17  160.486  2171.17  160.486  349.640   13.028  349.640   13.028 -0.000000 0.000000 
1 1 1    1    0   27 o  257.963   10.009  1188.24  128.166  1188.24  128.166  1188.24  128.166  257.963   14.154  257.963   14.154 -0.000000 0.000000 
1 1 1    1    0   29 o  993.262   29.412 17870.92  1454.43 17870.92  1454.43 17870.92  1454.43  993.262   41.595  993.262   41.595 -0.000000 0.000000 
1 1 1    1    0   31 o  538.263   20.189  5230.58  539.695  5230.58  539.695  5230.58  539.695  538.263   28.552  538.263   28.552 -0.000000 0.000000 
1 1 1    1    0   35 o  121.768   18.931  300.441  100.833  300.441  100.833  300.441  100.833  121.768   26.772  121.768   26.772 -0.000000 0.000000 
1 1 1    1    0   37 o  112.385   19.915  264.610   96.771  264.610   96.771  264.610   96.771  112.385   28.164  112.385   28.164 -0.000000 0.000000 
1 1 1    1    1    0 o  1143.24   45.472 23270.80  1837.38 23270.80  1837.38   0.0000   0.0000  1143.24   45.472  ?   ?       ?      ? 
1 1 1    1    1    2 o  629.328   21.396  7031.09  475.073  7513.93  671.859  6548.25  671.849  651.035   29.198  607.620   31.284 43.41461 42.79253 
1 1 1    1    1    4 o  875.632   18.411 13586.39  569.752 13430.47  805.743 13742.31  805.759  870.594   26.186  880.670   25.886 -10.07605 36.82101 
1 1 1    1    1    6 f  726.315   20.303  9442.73  488.969  9107.87  846.910  9610.17  598.866  716.084   33.462  736.546   23.004 -20.46240 40.60678 
1 1 1    1    1    8 o  1060.23   21.227 19984.97  794.898 19137.92  1124.14 20832.07  1124.17  1037.63   30.652  1082.84   29.373 -45.20947 42.45378 
1 1 1    1    1   10 o  591.156   17.758  6226.58  349.354  6177.84  605.083  6250.96  427.875  588.792   29.076  593.519   20.397 -4.727417 35.51671 
1 1 1    1    1   12 o  1328.65   36.634 32162.88  1719.32 30928.26  2431.44 33397.59  2431.54  1302.36   52.822  1354.94   50.774 -52.58179 73.26757 
1 1 1    1    1   14 o  706.076   16.224  8849.65  404.884  8808.25  572.597  8891.05  572.589  704.417   22.999  707.735   22.890 -3.318115 32.44839 
1 1 1    1    1   16 o  527.318   27.729  4937.33  516.809  4937.33  516.809   0.0000   0.0000  527.318   27.729  ?   ?       ?      ? 
1 1 1    1    1   18 o  542.151   17.182  5181.07  311.263  5304.86  539.100  5119.16  381.225  546.695   27.900  537.606   20.063 9.088867 34.36473 
1 1 1    1    1   20 o  746.610   20.261 10232.18  494.441  8981.87  856.330 10857.48  605.588  710.495   34.100  782.725   21.890 -72.23077 40.52181 
1 1 1    1    1   22 o  828.374   17.772 12179.88  520.318 12126.09  735.850 12233.66  735.831  826.537   25.189  830.211   25.077 -3.673889 35.54309 
1 1 1    1    1   24 o  187.407   14.814  624.793   97.681  555.560  137.986  694.339  138.298  176.932   22.065  197.882   19.774 -20.95009 29.62890 
1 1 1    1    1   26 o  655.781   16.349  7360.10  362.691  6724.96  444.148  8631.32  628.357  615.368   20.421  696.194   25.536 -80.82623 32.69720 
1 1 1    1    1   28 o  300.585   15.111  1636.09  149.945  1686.61  183.617  1534.97  259.787  308.132   16.860  293.037   25.083 15.09476 30.22252 
1 1 1    1    1   30 o   90.464   13.936  150.221   41.326  147.929   50.540  154.848   71.791   89.753   16.541   91.174   22.432 -1.421692 27.87113 
1 1 1    1    1   32 o  167.148   21.634  502.252  127.807   0.0000   0.0000  502.252  127.807  ?   ?   167.148   21.634      ?      ? 
1 1 1    1    1   34 o  136.107   21.759  334.313  104.676   0.0000   0.0000  334.313  104.676  ?   ?   136.107   21.759      ?      ? 
1 1 1    1    1   38 o  137.828   22.602  345.386  110.103  345.386  110.103   0.0000   0.0000  137.828   22.602  ?   ?       ?      ? 
1 1 1    1    1   40 o  146.910   22.950  395.105  119.168   0.0000   0.0000  395.105  119.168  ?   ?   146.910   22.950      ?      ? 
1 1 1    1    1   42 o  196.299   14.717  709.515   99.234  511.349  136.685  930.382  144.302  166.289   23.256  226.310   18.040 -60.02170 29.43310 
1 1 1    1    2    1 o  953.949   23.852 16137.76  758.362 16191.63  1313.54 16110.83  928.793  954.463   38.937  953.435   27.562 1.028015 47.70482 
1 1 1    1    2    3 o  1236.37   29.643 27241.08  1219.87 27079.83  2112.90 27321.70  1494.03  1232.18   48.516  1240.56   34.074 -8.383667 59.28606 
1 1 1    1    2    5 o  219.426   15.453  852.902  119.798  824.477  169.413  881.332  169.427  215.760   22.215  223.091   21.487 -7.330948 30.90678 
1 1 1    1    2    7 o  1094.02   26.492 21357.84  964.413 21195.84  1670.41 21438.84  1181.16  1089.46   43.380  1098.59   30.420 -9.134766 52.98308 
1 1 1    1    2    9 o  335.959   13.649  1965.65  154.040  2113.76  266.802  1891.58  188.661  345.131   21.872  326.788   16.334 18.34293 27.29803 
1 1 1    1    2   11 f  586.993   20.545  6151.10  425.960  5891.26  602.367  6410.99  602.429  574.468   29.667  599.518   28.430 -25.05066 41.09046 
1 1 1    1    2   13 o  1312.32   31.045 31351.96  1347.79 29967.81  2334.44 32044.03  1650.70  1285.93   51.362  1338.72   34.887 -52.79138 62.08991 
1 1 1    1    2   15 o  742.986   23.295  9835.07  610.990  9279.22  864.020 10391.05  864.120  721.817   33.867  764.155   31.994 -42.33795 46.58976 
1 1 1    1    2   19 o  691.185   22.728  8493.25  555.109  8691.08  784.991  8295.36  785.096  699.284   31.761  683.085   32.518 16.19867 45.45527 
1 1 1    1    2   21 o  1103.98   31.322 21812.01  1222.10 21569.08  1728.24 22054.98  1728.39  1097.75   44.543  1110.20   44.047 -12.45166 62.64392 
1 1 1    1    2   23 o  219.455   21.947  854.327  170.230   0.0000   0.0000  854.327  170.230  ?   ?   219.455   21.947      ?      ? 
1 1 1    1    2   25 o  292.082   15.697  1525.45  160.337  1270.82  226.625  1780.65  226.876  267.390   23.980  316.774   20.264 -49.38412 31.39489 
1 1 1    1    2   27 o  197.334   13.128  678.804   87.023  651.862  106.539  732.816  150.848  191.704   15.724  202.964   21.028 -11.26053 26.25688 
1 1 1    1    2   29 o  441.902   15.009  3354.49  224.379  3058.70  274.736  3946.99  388.836  414.287   18.763  469.517   23.431 -55.23077 30.01764 
1 1 1    1    2   31 o  321.438   15.639  1879.79  173.913  1442.35  245.662  2319.28  246.239  282.850   24.573  360.026   19.351 -77.17514 31.27778 
1 1 1    1    2   33 o   93.647   13.235  155.694   40.398  140.999   49.300  185.729   70.480   87.426   16.561   99.867   20.649 -12.44064 26.46987 
1 1 1    1    2   35 o  225.830   22.439  923.157  179.106   0.0000   0.0000  923.157  179.106  ?   ?   225.830   22.439      ?      ? 
1 1 1    1    2   37 o  164.803   22.035  492.464  128.348   0.0000   0.0000  492.464  128.348  ?   ?   164.803   22.035      ?      ? 
1 1 1    1    3    0 o  180.126   10.589  574.213   67.357  601.258   95.258  547.169   95.257  184.374   14.618  175.878   15.324 8.496063 21.17769 
1 1 1    1    3    2 o  302.452   11.614  1618.77  124.107  1667.09  175.514  1570.45  175.515  306.971   16.177  297.932   16.668 9.039429 23.22722 
1 1 1    1    3    4 o  262.037   11.278  1214.84  104.449  1206.90  147.710  1222.78  147.715  261.180   16.001  262.894   15.897 -1.714783 22.55573 
1 1 1    1    3    6 o  1066.99   26.492 20260.37  941.889 20321.90  1631.41 20229.61  1153.57  1066.83   43.266  1067.15   30.584 -0.3209229 52.98452 
1 1 1    1    3    8 o  1158.26   27.967 24117.05  1076.11 23685.90  1863.89 24332.62  1317.96  1147.92   45.939  1168.59   31.909 -20.66760 55.93432 
1 1 1    1    3   10 o  308.851   14.144  1683.04  145.969  1725.01  252.833  1662.05  178.771  311.500   22.964  306.202   16.518 5.298187 28.28825 
1 1 1    1    3   12 o  930.014   23.772 15474.82  735.986 15433.20  1274.77 15495.63  901.394  927.248   38.897  932.781   27.341 -5.532349 47.54470 
1 1 1    1    3   14 f  773.637   24.124 10669.97  659.412 10340.16  932.513 10999.84  932.587  761.575   34.644  785.700   33.582 -24.12494 48.24891 
1 1 1    1    3   16 o  604.013   20.816  6482.07  444.168  6250.99  628.108  6713.21  628.190  593.188   29.959  614.839   28.907 -21.65057 41.63123 
1 1 1    1    3   18 o  441.552   25.775  3458.35  402.248   0.0000   0.0000  3458.35  402.248  ?   ?   441.552   25.775      ?      ? 
1 1 1    1    3   20 o  639.296   21.786  7267.07  491.971  7550.36  695.708  6983.70  695.798  651.835   30.197  626.756   31.410 25.07880 43.57120 
1 1 1    1    3   22 o  332.623   16.489  1966.37  193.326  1799.96  273.340  2132.92  273.467  318.462   24.284  346.783   22.311 -28.32089 32.97765 
1 1 1    1    3   24 o  255.751   15.627  1162.86  140.943  1073.06  199.238  1252.82  199.408  245.809   22.933  265.693   21.235 -19.88478 31.25397 
1 1 1    1    3   26 o  373.972   24.480  2490.43  323.570   0.0000   0.0000  2490.43  323.570  ?   ?   373.972   24.480      ?      ? 
1 1 1    1    3   28 o  633.018   30.722  7215.92  687.367   0.0000   0.0000  7215.92  687.367  ?   ?   633.018   30.722      ?      ? 
1 1 1    1    3   34 o   83.888   21.319  131.771   63.341  131.771   63.341   0.0000   0.0000   83.888   21.319  ?   ?       ?      ? 
1 1 1    1    3   36 o  225.867   22.304  924.659  178.057  924.659  178.057   0.0000   0.0000  225.867   22.304  ?   ?       ?      ? 
1 1 1    1    3   38 o  108.517   22.997  222.104   85.462   0.0000   0.0000  222.104   85.462  ?   ?   108.517   22.997      ?      ? 
1 1 1    1    3   40 o   40.531   16.544   11.439   37.477   0.0000   0.0000   11.439   37.477  ?   ?    40.531   16.544      ?      ? 
1 1 1    1    3   42 o  167.470   22.740  518.344  134.603   0.0000   0.0000  518.344  134.603  ?   ?   167.470   22.740      ?      ? 
1 1 1    1    3   44 f  122.290   25.418  293.454  106.277   0.0000   0.0000  293.454  106.277  ?   ?   122.290   25.418      ?      ? 
1 1 1    1    4    1 o  652.921   15.426  7550.36  355.983  7603.77  503.434  7496.95  503.439  655.235   21.738  650.606   21.893 4.629089 30.85229 
1 1 1    1    4    3 o  334.152   14.363  1970.01  160.196  1955.28  196.193  1999.48  277.487  332.396   16.700  335.908   23.372 -3.511536 28.72531 
1 1 1    1    4    5 o  701.078   15.956  8713.03  395.367  8634.24  559.128  8791.82  559.137  697.899   22.667  704.258   22.463 -6.359314 31.91220 
1 1 1    1    4    7 o  1239.50   24.227 27421.72  1061.26 26966.31  1500.83 27877.13  1500.85  1229.10   34.548  1249.89   33.974 -20.79028 48.45406 
1 1 1    1    4    9 o  471.824   13.089  3949.38  218.266  3916.63  308.671  3982.13  308.680  469.860   18.587  473.788   18.433 -3.928101 26.17750 
1 1 1    1    4   11 o  474.737   16.197  4016.88  255.762  3970.02  443.000  4040.31  313.240  472.202   26.543  477.272   18.569 -5.070923 32.39383 
1 1 1    1    4   13 o  220.307   12.811  851.885   94.460  884.882  163.616  835.389  115.687  223.389   20.723  217.225   15.068 6.163773 25.62173 
1 1 1    1    4   15 o  1312.48   36.026 30930.02  1670.42 29846.27  2362.29 32013.86  2362.38  1289.12   51.846  1335.85   50.035 -46.72546 72.05237 
1 1 1    1    4   17 o  117.096   22.079  250.940   88.028  250.940   88.028   0.0000   0.0000  117.096   22.079  ?   ?       ?      ? 
1 1 1    1    4   19 o  822.175   25.168 12035.34  731.320 11867.76  1034.19 12202.95  1034.29  816.408   35.841  827.942   35.345 -11.53412 50.33669 
1 1 1    1    4   21 o  1036.23   42.301 19209.58  1549.28   0.0000   0.0000 19209.58  1549.28  ?   ?   1036.23   42.301      ?      ? 
1 1 1    1    4   27 o  329.678   23.680  1939.15  275.929  1939.15  275.929   0.0000   0.0000  329.678   23.680  ?   ?       ?      ? 
1 1 1    1    4   29 o  381.234   24.746  2610.51  333.445  2610.51  333.445   0.0000   0.0000  381.234   24.746  ?   ?       ?      ? 
1 1 1    1    4   31 o  135.133   15.149  336.305   69.360  265.246   97.935  407.817   98.247  119.257   24.064  151.008   18.408 -31.75071 30.29738 
1 1 1    1    4   33 o  322.865   16.782  1887.14  191.501  1866.89  270.672  1907.43  270.976  321.093   23.850  324.637   23.616 -3.544128 33.56428 
1 1 1    1    4   35 o  131.075   17.193  324.238   76.643  415.069  108.015  232.136  108.768  151.738   20.140  110.412   27.869 41.32608 34.38511 
1 1 1    1    4   37 o   74.968   15.233  104.357   42.994  123.121   59.743   84.200   61.922   80.995   20.770   68.942   22.289 12.05325 30.46654 
1 1 1    1    4   39 o  117.470   14.739  255.291   59.186  202.098   81.971  313.226   85.547  103.252   23.046  131.688   18.380 -28.43662 29.47750 
1 1 1    1    4   41 o   92.514   23.499  163.838   76.988   0.0000   0.0000  163.838   76.988  ?   ?    92.514   23.499      ?      ? 
1 1 1    1    4   43 f  178.184   22.728  591.659  143.137   0.0000   0.0000  591.659  143.137  ?   ?   178.184   22.728      ?      ? 
1 1 1    1    5    0 o  682.925   15.849  8265.80  382.545  8264.50  540.996  8267.10  541.004  682.872   22.415  682.979   22.412 -0.1076050 31.69705 
1 1 1    1    5    2 o  400.958   12.373  2846.75  175.316  2789.44  247.929  2904.07  247.938  396.914   17.673  405.003   17.321 -8.089355 24.74554 
1 1 1    1    5    4 o  208.525   10.855  769.886   79.977  747.966  113.102  791.808  113.108  205.551   15.568  211.499   15.131 -5.948593 21.70953 
1 1 1    1    5    6 o  273.390   13.877  1322.79  126.529  1316.85  154.958  1334.67  219.177  272.637   16.081  274.143   22.620 -1.505890 27.75377 
1 1 1    1    5    8 o  440.413   12.808  3440.71  199.360  3410.54  281.935  3470.89  281.941  438.474   18.192  442.351   18.033 -3.876862 25.61543 
1 1 1    1    5   10 o  225.695   11.035  902.508   88.025  911.368  124.483  893.647  124.489  226.805   15.529  224.584   15.683 2.221497 22.07038 
1 1 1    1    5   12 o  914.254   27.123 14949.55  876.047 14440.42  1238.88 15458.72  1238.95  898.497   39.012  930.010   37.692 -31.51245 54.24545 
1 1 1    1    5   14 o  229.824   15.759  938.594  127.531  1031.87  180.346  845.302  180.365  241.308   21.145  218.340   23.372 22.96773 31.51795 
1 1 1    1    5   16 o  738.332   23.111  9662.54  603.104   0.0000   0.0000  9662.54  603.104  ?   ?   738.332   23.111      ?      ? 
1 1 1    1    5   22 o  1303.67   51.242 30666.20  2361.09 30666.20  2361.09   0.0000   0.0000  1303.67   51.242  ?   ?       ?      ? 
1 1 1    1    5   24 o  212.419   15.600  801.958  116.996  844.717  165.401  759.139  165.515  218.119   21.455  206.719   22.653 11.39925 31.20080 
1 1 1    1    5   26 o   68.977   14.245   85.808   37.247  101.365   52.532   70.080   52.820   74.216   19.699   63.737   20.584 10.47947 28.49086 
1 1 1    1    5   28 o  324.124   16.693  1881.19  191.223  1862.59  270.352  1899.82  270.509  322.501   23.718  325.747   23.495 -3.246582 33.38527 
1 1 1    1    5   30 o  164.368   15.331  485.231   88.959  511.519  125.729  458.879  125.884  168.900   21.061  159.835   22.283 9.064224 30.66141 
1 1 1    1    5   32 o   53.243   12.529   46.598   28.388   64.352   39.937   28.467   40.358   59.557   17.686   46.928   17.752 12.62880 25.05876 
1 1 1    1    5   34 o  426.767   18.476  3323.95  278.626  3405.33  393.867  3242.44  394.205  432.173   25.785  421.362   26.470 10.81085 36.95295 
1 1 1    1    5   36 o  410.228   17.775  3077.02  257.176  2850.76  363.391  3304.05  364.013  394.608   26.055  425.848   24.185 -31.23962 35.54934 
1 1 1    1    5   38 o  261.379   16.576  1250.07  152.823  1335.74  215.740  1163.78  216.512  270.702   22.549  252.056   24.303 18.64565 33.15241 
1 1 1    1    5   40 o  211.928   15.686  822.332  117.466  797.836  165.114  847.435  167.150  208.664   22.388  215.192   21.977 -6.527557 31.37184 
1 1 1    1    5   42 o   74.409   21.991  104.303   61.858   0.0000   0.0000  104.303   61.858  ?   ?    74.409   21.991      ?      ? 
1 1 1    1    5   44 o  ?   ?  -54.8641   9.0519   0.0000   0.0000 -54.8641   9.0519  ?   ?   ?   ?       ?      ? 
1 1 1    1    6    1 o  572.622   14.415  5815.38  291.743  5801.88  412.583  5828.87  412.591  571.955   20.409  573.289   20.362 -1.333679 28.82991 
1 1 1    1    6    3 o  928.382   19.374 15341.52  635.718 15246.29  899.036 15436.75  899.046  925.480   27.485  931.284   27.314 -5.804077 38.74843 
1 1 1    1    6    5 o  596.245   14.765  6312.54  311.158  6312.68  440.040  6312.40  440.046  596.252   20.881  596.239   20.881 0.1336670E-01 29.53010 
1 1 1    1    6    7 o  349.171   11.940  2161.79  147.335  2127.37  208.359  2196.22  208.367  346.382   17.019  351.960   16.750 -5.578156 23.87911 
1 1 1    1    6    9 o  704.260   16.020  8811.13  398.674  8589.04  563.804  9033.23  563.817  695.338   22.941  713.183   22.367 -17.84491 32.04047 
1 1 1    1    6   11 o  566.019   17.405  5629.83  329.832  5867.95  571.263  5510.75  403.968  574.509   28.133  557.530   20.500 16.97900 34.81000 
1 1 1    1    6   15 o  1048.51   42.598 19625.87  1578.64   0.0000   0.0000 19625.87  1578.64  ?   ?   1048.51   42.598      ?      ? 
1 1 1    1    6   17 o  472.905   26.463  3968.02  442.324  3968.02  442.324   0.0000   0.0000  472.905   26.463  ?   ?       ?      ? 
1 1 1    1    6   21 o  1044.41   29.819 19562.20  1099.15 18358.99  1554.35 20765.63  1554.50  1011.81   43.464  1077.01   40.837 -65.19464 59.63869 
1 1 1    1    6   23 o  199.585   21.714  707.221  153.176  707.221  153.176   0.0000   0.0000  199.585   21.714  ?   ?       ?      ? 
1 1 1    1    6   25 o  588.099   20.438  6195.52  423.408  5615.79  598.692  6775.64  598.887  560.201   30.237  615.998   27.507 -55.79724 40.87690 
1 1 1    1    6   27 o  209.374   15.256  785.213  112.266  689.808  158.674  880.846  158.864  196.468   22.850  222.281   20.221 -25.81268 30.51277 
1 1 1    1    6   29 o  425.837   18.130  3270.27  272.809  3192.04  385.721  3348.57  385.901  420.639   25.944  431.035   25.330 -10.39612 36.25940 
1 1 1    1    6   31 o  448.424   18.592  3648.93  294.660  3607.36  416.610  3690.55  416.815  445.802   26.440  451.045   26.146 -5.243408 37.18468 
1 1 1    1    6   33 o  211.049   15.445  805.134  115.022  752.700  162.530  857.742  162.801  204.012   22.540  218.086   21.121 -14.07404 30.88921 
1 1 1    1    6   35 o  314.690   16.873  1801.76  187.617  1850.25  265.176  1753.16  265.484  319.060   23.515  310.321   24.205 8.739563 33.74665 
1 1 1    1    6   37 o  306.484   15.980  1719.19  171.265  1435.89  241.698  2004.87  242.717  280.240   24.402  332.728   20.639 -52.48779 31.95970 
1 1 1    1    6   39 o   79.062   14.254  116.854   40.522   88.206   56.036  148.258   58.668   69.292   21.035   88.833   19.242 -19.54072 28.50864 
1 1 1    1    6   41 o  222.363   15.782  911.724  123.962  872.568  174.559  951.560  176.067  217.379   22.720  227.347   21.911 -9.967896 31.56415 
1 1 1    1    6   43 o   99.612   15.494  190.305   53.124  161.385   72.613  223.612   77.926   91.157   22.640  108.067   21.159 -16.90971 30.98840 
1 1 1    1    6   45 o   75.714   22.531  112.837   64.761   0.0000   0.0000  112.837   64.761  ?   ?    75.714   22.531      ?      ? 
1 1 1    1    7    0 o  359.840   12.076  2295.82  153.587  2305.35  217.201  2286.29  217.209  360.589   17.042  359.090   17.114 1.498993 24.15224 
1 1 1    1    7    2 o  922.999   19.338 15184.76  630.835 15328.46  892.131 15041.06  892.139  927.404   27.217  918.594   27.478 8.809631 38.67577 
1 1 1    1    7    4 o  633.994   15.164  7140.99  339.795  7108.59  480.539  7173.38  480.547  632.548   21.494  635.439   21.396 -2.891602 30.32811 
1 1 1    1    7    6 o  355.527   14.836  2258.67  175.143  2201.84  303.338  2287.09  214.511  351.858   24.392  359.197   16.897 -7.339813 29.67224 
1 1 1    1    7    8 o  135.121   15.345  329.639   71.355  363.606  100.917  295.679  100.907  143.181   19.941  127.061   23.329 16.11963 30.69035 
1 1 1    1    7   10 o  151.096   14.972  404.730   79.954  408.445  113.076  401.016  113.069  151.791   21.077  150.400   21.270 1.391052 29.94425 
1 1 1    1    7   12 o  793.887   24.388 11221.81  683.854 11687.99  967.165 10755.72  967.067  810.499   33.762  777.274   35.202 33.22424 48.77520 
1 1 1    1    7   14 o  603.808   14.696  6458.79  313.627  6388.69  443.527  6528.91  443.545  600.523   20.896  607.093   20.671 -6.570435 29.39299 
1 1 1    1    7   16 o  344.644   11.783  2107.30  143.031  1903.79  202.258  2310.89  202.296  327.934   17.450  361.353   15.839 -33.41992 23.56673 
1 1 1    1    7   18 o  367.538   14.667  2395.69  179.541  2388.43  310.972  2399.32  219.893  366.948   23.977  368.127   16.900 -1.179047 29.33458 
1 1 1    1    7   20 o  114.346   22.132  239.805   86.212   0.0000   0.0000  239.805   86.212  ?   ?   114.346   22.132      ?      ? 
1 1 1    1    7   22 o  654.095   21.821  7634.52  504.032  7269.37  712.747  7999.80  712.871  638.298   31.593  669.892   30.108 -31.59412 43.64206 
1 1 1    1    7   24 o  447.674   18.189  3576.86  287.195  3310.60  406.074  3843.32  406.235  430.841   26.667  464.508   24.744 -33.66656 36.37802 
1 1 1    1    7   26 o  262.124   15.725  1233.56  144.295  1038.95  203.970  1428.53  204.158  241.100   23.936  283.148   20.400 -42.04765 31.44985 
1 1 1    1    7   28 f  197.972   15.135  709.965  103.950  555.373  146.898  865.018  147.117  175.847   23.635  220.096   18.912 -44.24902 30.27004 
1 1 1    1    7   30 o  481.395   18.895  4210.96  320.531  3842.83  453.178  4579.48  453.421  459.751   27.889  503.039   25.502 -43.28839 37.79071 
1 1 1    1    7   32 o  304.729   16.337  1684.39  175.168  1503.86  247.589  1865.31  247.860  287.954   24.327  321.505   21.812 -33.55075 32.67374 
1 1 1    1    7   34 o  191.070   16.019  666.026  107.064  772.612  151.317  559.175  151.505  206.876   20.695  175.265   24.458 31.61101 32.03806 
1 1 1    1    7   36 o  129.399   15.099  303.354   69.052  299.425   97.199  307.358   98.116  128.547   21.393  130.251   21.313 -1.703857 30.19788 
1 1 1    1    7   38 o  202.801   15.665  750.360  112.287  747.158  158.318  753.601  159.282  202.371   22.134  203.230   22.175 -0.8588562 31.33099 
1 1 1    1    7   40 o  210.659   22.319  815.921  166.178  815.921  166.178   0.0000   0.0000  210.659   22.319  ?   ?       ?      ? 
1 1 1    1    7   42 o  116.794   15.885  260.970   63.161  239.580   88.046  283.648   90.658  111.517   23.098  122.071   21.813 -10.55352 31.76983 
1 1 1    1    7   44 o   35.795   10.047   7.9234   21.051   28.752   26.477 -27.8636   34.706   41.760   14.581   29.829   13.826 11.93123 20.09390 
1 1 1    1    8    1 o  905.803   23.511 14702.71  708.358 14569.27  1226.90 14769.44  867.563  900.914   38.530  910.691   26.953 -9.777100 47.02199 
1 1 1    1    8    3 o  806.804   25.005 11648.68  712.968 11834.14  1008.30 11463.22  1008.28  813.308   35.076  800.300   35.646 13.00732 50.00964 
1 1 1    1    8    5 o  239.290   15.693  1016.47  132.724  1013.42  187.704  1019.52  187.695  238.929   22.227  239.650   22.159 -0.7207489 31.38594 
1 1 1    1    8    7 o  358.236   14.854  2289.88  176.716  2318.19  216.439  2233.27  306.063  361.789   16.926  354.683   24.415 7.105896 29.70810 
1 1 1    1    8    9 o  802.828   17.541 11435.51  497.736 11429.52  703.900 11441.50  703.911  802.617   24.813  803.039   24.801 -0.4221802 35.08218 
1 1 1    1    8   11 o  381.279   14.955  2565.04  190.365  2608.39  329.733  2543.36  233.144  383.526   24.325  379.033   17.403 4.493195 29.90920 
1 1 1    1    8   13 o  681.882   15.667  8244.31  377.253  7843.00  533.502  8645.66  533.531  665.230   22.690  698.534   21.610 -33.30414 31.33438 
1 1 1    1    8   15 o  319.863   11.654  1810.98  131.743  1831.98  186.305  1789.99  186.321  321.720   16.384  318.006   16.577 3.714050 23.30754 
1 1 1    1    8   17 o  346.945   11.923  2132.86  146.035  2252.72  206.512  2012.98  206.536  356.720   16.379  337.169   17.331 19.55081 23.84644 
1 1 1    1    8   19 o  736.125   23.218  9668.20  602.869 10367.64  852.647  8968.96  852.525  763.004   31.617  709.247   34.009 53.75757 46.43525 
1 1 1    1    8   21 o  552.548   20.129  5437.88  393.046  5544.95  555.815  5330.79  555.886  558.031   28.181  547.065   28.749 10.96643 40.25758 
1 1 1    1    8   23 o  426.828   17.956  3232.64  270.888   0.0000   0.0000  3232.64  270.888  ?   ?   426.828   17.956      ?      ? 
1 1 1    1    8   25 o  383.225   13.100  2530.62  169.495  2884.24  293.618  2353.88  207.572  402.379   20.646  364.071   16.131 38.30762 26.20023 
1 1 1    1    8   27 o  124.898   15.361  283.846   66.292  266.582   93.720  301.132   93.781  120.015   22.930  129.781   20.445 -9.766518 30.72106 
1 1 1    1    8   29 o  244.057   16.009  1073.05  137.864  1143.08  194.920  1002.94  195.017  252.180   21.869  235.933   23.386 16.24756 32.01831 
1 1 1    1    8   31 o  380.290   17.518  2624.43  235.312  2520.41  332.684  2728.58  332.881  372.549   25.265  388.031   24.272 -15.48151 35.03518 
1 1 1    1    8   33 o  353.906   17.122  2279.15  213.855  2137.63  302.306  2420.92  302.568  342.586   24.966  365.225   23.439 -22.63904 34.24496 
1 1 1    1    8   35 f  258.625   15.938  1216.18  145.336  1119.89  205.373  1312.79  205.699  248.079   23.423  269.171   21.621 -21.09187 31.87639 
1 1 1    1    8   37 o   90.189   15.366  153.630   48.427  144.301   67.776  163.360   69.219   87.366   21.971   93.012   21.488 -5.646912 30.73172 
1 1 1    1    8   39 o  171.895   15.026  542.091   90.543  462.132  127.417  623.652  128.687  158.630   22.726  185.158   19.664 -26.52805 30.05226 
1 1 1    1    8   41 o  156.776   15.443  454.580   85.561  446.735  120.150  462.651  121.872  155.392   21.876  158.160   21.802 -2.768158 30.88504 
1 1 1    1    8   43 o   82.713   15.458  133.024   45.886  123.328   63.487  143.630   66.395   79.634   21.882   85.792   21.840 -6.158340 30.91575 
1 1 1    1    8   45 o  122.284   24.141  303.307  100.635   0.0000   0.0000  303.307  100.635  ?   ?   122.284   24.141      ?      ? 
1 1 1    1    9    0 o  872.322   37.270 13599.28  1149.09 13599.28  1149.09   0.0000   0.0000  872.322   37.270  ?   ?       ?      ? 
1 1 1    1    9    2 o  812.291   35.468 11776.37  1018.29 11776.37  1018.29   0.0000   0.0000  812.291   35.468  ?   ?       ?      ? 
1 1 1    1    9    4 o  294.983   14.148  1556.34  138.386  1500.58  239.683  1584.22  169.490  290.833   23.317  299.134   16.031 -8.300873 28.29624 
1 1 1    1    9    6 o  331.247   11.729  1943.06  137.266  1878.85  194.116  2007.29  194.131  325.762   16.859  336.732   16.311 -10.97040 23.45846 
1 1 1    1    9    8 o  862.508   18.376 13199.86  560.156 13354.31  792.176 13045.40  792.186  867.575   25.834  857.442   26.140 10.13348 36.75177 
1 1 1    1    9   10 o  548.684   14.084  5332.29  273.117  5371.36  386.240  5293.21  386.252  550.699   19.844  546.669   19.991 4.029541 28.16730 
1 1 1    1    9   12 o  930.831   23.200 15201.60  723.926 14781.77  886.595 16041.43  1253.96  912.638   27.486  949.026   37.384 -36.38806 46.40069 
1 1 1    1    9   14 o  243.992   11.025  1055.42   94.820  966.507  134.079  1144.37  134.113  233.679   16.234  254.304   14.921 -20.62524 22.04931 
1 1 1    1    9   16 o  193.335   11.216  678.269   73.778  888.237  104.339  468.315  104.336  224.061   13.175  162.609   18.154 61.45224 22.43103 
1 1 1    1    9   18 o  517.501   13.627  4746.51  249.247  4771.04  352.473  4721.98  352.503  518.842   19.221  516.160   19.322 2.682495 27.25413 
1 1 1    1    9   20 o  696.503   22.462  8673.85  551.222  7887.20  779.496  9460.70  779.596  664.545   33.187  728.462   30.279 -63.91742 44.92444 
1 1 1    1    9   22 o  817.335   21.644 11883.68  590.625 12131.75  1022.97 11759.63  723.373  822.165   35.203  812.505   25.189 9.659668 43.28718 
1 1 1    1    9   24 o  187.195   15.293  624.631  101.175  616.577  143.064  632.689  143.101  185.977   21.765  188.412   21.489 -2.434860 30.58547 
1 1 1    1    9   26 o  424.139   17.889  3242.36  267.112  2913.59  377.652  3571.48  377.855  402.198   26.566  446.080   23.966 -43.88220 35.77898 
1 1 1    1    9   28 o   78.244   14.982  113.356   42.984  136.954   60.671   89.575   60.907   85.727   20.331   70.761   22.012 14.96586 29.96486 
1 1 1    1    9   30 o  322.820   16.809  1885.67  191.791  1878.10  271.159  1893.25  271.309  322.159   23.814  323.482   23.730 -1.323547 33.61863 
1 1 1    1    9   32 f  137.492   15.413  352.766   71.025  257.956  100.285  448.181  100.605  116.966   25.015  158.017   18.013 -41.05109 30.82599 
1 1 1    1    9   34 o   41.639   10.466   25.894   19.608   17.421   27.313   34.904   28.166   37.939   14.543   45.339   15.054 -7.399841 20.93104 
1 1 1    1    9   36 o  225.137   15.928  924.147  126.677  955.803  179.003  892.388  179.294  229.127   22.104  221.146   22.939 7.980804 31.85507 
1 1 1    1    9   38 o  150.427   21.835  413.768  116.092   0.0000   0.0000  413.768  116.092  ?   ?   150.427   21.835      ?      ? 
1 1 1    1   10    1 o  746.005   16.699  9869.22  440.304  9927.62  622.677  9810.80  622.691  748.221   23.546  743.790   23.687 4.430542 33.39845 
1 1 1    1   10    3 o  1127.16   27.688 22707.02  1038.34 22798.83  1271.68 22523.38  1798.49  1132.36   31.774  1121.96   45.354 10.40149 55.37638 
1 1 1    1   10    5 o  311.462   16.497  1720.99  181.425  1810.76  256.568  1631.21  256.579  319.617   22.712  303.307   23.934 16.30981 32.99497 
1 1 1    1   10    7 o  903.893   26.985 14558.24  862.039 14755.32  1219.08 14361.15  1219.13  910.062   37.900  897.723   38.423 12.33838 53.96978 
1 1 1    1   10    9 o  533.158   17.005  5033.24  302.266  5059.23  523.541  5020.24  370.199  533.905   27.744  532.411   19.673 1.493164 34.01090 
1 1 1    1   10   11 o  977.718   28.438 17056.25  982.108 16360.34  1388.87 17752.25  1388.95  957.578   41.036  997.857   39.382 -40.27814 56.87634 
1 1 1    1   10   13 o  440.263   12.774  3435.56  198.481  3222.45  280.676  3648.74  280.712  426.565   18.617  453.960   17.495 -27.39481 25.54731 
1 1 1    1   10   15 o  174.763   10.734  541.384   66.159  581.995   93.544  500.739   93.583  181.340   14.595  168.185   15.743 13.15503 21.46753 
1 1 1    1   10   17 o  297.728   11.546  1572.36  121.204  1697.58  171.395  1447.10  171.423  309.630   15.662  285.827   16.969 23.80347 23.09150 
1 1 1    1   10   19 o  424.125   12.610  3190.44  188.882  3045.74  267.095  3335.19  267.145  414.471   18.233  433.779   17.424 -19.30850 25.21987 
1 1 1    1   10   21 o  237.970   15.765  1007.43  132.549  1039.00  187.419  975.839  187.486  241.725   21.937  234.215   22.648 7.510025 31.53028 
1 1 1    1   10   23 o  335.822   14.809  2047.03  163.973  1901.36  283.958  2119.91  200.844  326.168   24.632  345.477   16.448 -19.30911 29.61863 
1 1 1    1   10   25 o  112.263   13.043  221.591   48.183  250.354   83.348  207.155   59.049  116.607   20.995  107.919   15.481 8.688110 26.08570 
1 1 1    1   10   27 o  236.807   15.773  1008.20  131.990  986.591  186.603  1029.84  186.722  234.225   22.541  239.390   22.068 -5.164917 31.54502 
1 1 1    1   10   29 o  312.549   13.146  1729.55  137.637  1819.41  238.410  1684.64  168.565  317.889   21.219  307.209   15.524 10.67990 26.29178 
1 1 1    1   10   31 o  450.238   18.710  3702.47  297.706  3633.93  420.947  3771.05  421.092  445.932   26.708  454.544   26.211 -8.611389 37.42081 
1 1 1    1   10   33 o  293.919   23.372  1570.57  242.792   0.0000   0.0000  1570.57  242.792  ?   ?   293.919   23.372      ?      ? 
1 1 1    1   10   39 o  122.535   22.713  285.079   94.744  285.079   94.744   0.0000   0.0000  122.535   22.713  ?   ?       ?      ? 
1 1 1    1   10   41 o  120.077   15.159  274.079   62.157  216.775   86.977  333.888   88.858  105.416   23.896  134.738   18.659 -29.32202 30.31760 
1 1 1    1   10   43 o   70.872   15.175   97.614   41.662  112.110   57.510   81.603   60.439   75.600   20.848   66.145   22.056 9.454926 30.34953 
1 1 1    1   10   45 o   61.921   14.475   73.218   38.033   95.339   52.038   47.853   55.724   69.019   20.106   54.823   20.830 14.19558 28.95049 
1 1 1    1   11    0 o  616.540   14.964  6734.62  326.091  6759.90  461.156  6709.35  461.168  617.700   21.123  615.380   21.203 2.319824 29.92879 
1 1 1    1   11    2 o  790.721   17.264 11087.55  482.415 10859.49  682.226 11315.63  682.251  782.560   24.666  798.882   24.162 -16.32153 34.52842 
1 1 1    1   11    4 o  657.918   15.463  7670.12  359.569  7614.21  508.497  7726.03  508.517  655.513   21.948  660.322   21.789 -4.808777 30.92637 
1 1 1    1   11    6 o  695.205   16.012  8566.11  393.413  8684.45  556.364  8447.76  556.375  700.021   22.487  690.389   22.801 9.632507 32.02406 
1 1 1    1   11    8 o  792.742   20.615 10954.67  549.081 10525.60  672.457 11813.00  951.112  770.418   24.696  815.066   33.016 -44.64819 41.22979 
1 1 1    1   11   10 o  1007.17   29.260 18111.21  1041.47 18396.64  1472.84 17825.75  1472.89  1015.19   41.048  999.151   41.708 16.03766 58.51906 
1 1 1    1   11   12 o  527.207   19.582  4937.25  364.823  4834.16  515.901  5040.38  515.975  521.673   27.980  532.740   27.403 -11.06641 39.16361 
1 1 1    1   11   14 o  274.083   13.628  1311.93  125.304  1391.74  217.030  1272.02  153.466  280.136   21.920  268.030   16.200 12.10574 27.25612 
1 1 1    1   11   16 o  748.818   16.729  9956.28  442.752  9907.26  626.124 10005.30  626.168  746.967   23.716  750.670   23.601 -3.703918 33.45783 
1 1 1    1   11   18 o  613.979   14.882  6693.75  322.810  6466.46  456.494  6921.09  456.550  603.504   21.401  624.454   20.686 -20.94946 29.76405 
1 1 1    1   11   20 o  620.938   15.068  6862.53  330.196  7292.16  466.946  6432.83  466.989  640.516   20.626  601.360   21.971 39.15564 30.13577 
1 1 1    1   11   22 o  353.377   14.647  2201.99  173.314  2298.07  300.097  2153.90  212.297  358.651   23.674  348.104   17.255 10.54752 29.29484 
1 1 1    1   11   24 o  495.772   16.463  4373.82  272.851  4516.59  472.549  4302.41  334.188  500.640   26.706  490.905   19.261 9.734589 32.92662 
1 1 1    1   11   26 o  227.751   13.885  952.004  103.867  863.617  179.782  996.286  127.253  219.018   23.224  236.485   15.225 -17.46693 27.76982 
1 1 1    1   11   28 o  277.869   15.625  1378.36  153.454   0.0000   0.0000  1378.36  153.454  ?   ?   277.869   15.625      ?      ? 
1 1 1    1   11   30 o  267.367   22.957  1294.93  216.940   0.0000   0.0000  1294.93  216.940  ?   ?   267.367   22.957      ?      ? 
1 1 1    1   11   34 o   71.577   20.403   95.138   54.130   95.138   54.130   0.0000   0.0000   71.577   20.403  ?   ?       ?      ? 
1 1 1    1   11   36 o  154.094   15.167  433.514   82.398  398.166  116.328  469.108  116.731  147.589   22.300  160.598   20.565 -13.00876 30.33498 
1 1 1    1   11   38 f  122.941   15.956  283.935   67.610  251.788   95.764  315.882   95.466  114.534   24.403  131.348   20.564 -16.81425 31.91203 
1 1 1    1   11   40 o  223.795   15.480  940.703  120.142  739.113  169.334  1145.04  170.484  198.174   24.176  249.415   19.339 -51.24129 30.95911 
1 1 1    1   11   42 o  106.678   15.265  220.681   56.493  176.723   79.269  266.050   80.532   94.087   23.816  119.270   19.104 -25.18343 30.53079 
1 1 1    1   11   44 o  115.320   16.985  274.031   66.966  283.486   93.738  264.176   95.701  117.861   23.328  112.779   24.693 5.081566 33.96957 
1 1 1    1   12    1 o  575.582   14.421  5868.54  293.375  5838.36  414.884  5898.73  414.906  574.099   20.447  577.066   20.342 -2.967529 28.84229 
1 1 1    1   12    3 o  487.705   13.351  4212.21  230.115  4150.44  325.417  4273.99  325.448  484.122   19.018  491.289   18.742 -7.167358 26.70134 
1 1 1    1   12    5 o  349.098   11.943  2157.28  147.360  2153.96  208.389  2160.60  208.408  348.829   16.902  349.367   16.878 -0.5380554 23.88592 
1 1 1    1   12    7 o  1065.75   21.436 20184.91  807.430 20382.61  1141.87 19987.21  1141.89  1071.00   30.165  1060.50   30.464 10.49695 42.87205 
1 1 1    1   12    9 o  693.961   19.904  8706.20  455.771  8120.46  789.388  8999.11  558.215  675.464   33.065  712.459   22.168 -36.99457 39.80830 
1 1 1    1   12   11 o  629.584   15.110  7027.36  336.242  7014.90  475.504  7039.82  475.531  629.024   21.388  630.144   21.351 -1.119812 30.22097 
1 1 1    1   12   13 o  607.093   17.960  6515.59  364.054  6452.76  445.837  6641.32  630.662  603.220   20.911  610.966   29.205 -7.746582 35.91965 
1 1 1    1   12   15 o  860.718   22.160 13092.73  638.090 12845.22  781.464 13587.89  1105.30  849.852   26.016  871.584   35.880 -21.73224 44.31936 
1 1 1    1   12   17 o  461.240   18.500  3791.15  301.253  3585.04  425.982  3997.36  426.089  448.595   26.867  473.885   25.439 -25.29095 36.99987 
1 1 1    1   12   19 o   66.969   12.438   83.821   28.959   73.211   49.961   89.189   35.538   64.331   19.924   69.608   14.895 -5.276283 24.87600 
1 1 1    1   12   21 o  206.806   13.195  749.234   91.575  724.016  112.149  799.691  158.633  201.886   15.717  211.727   21.198 -9.841537 26.38906 
1 1 1    1   12   23 o  392.828   15.219  2763.02  199.112  2764.22  344.751  2762.42  243.904  392.024   24.881  393.632   17.531 -1.608459 30.43710 
1 1 1    1   12   29 o  381.230   16.666  2659.71  221.087  2132.78  312.166  3190.02  313.167  342.015   25.824  420.446   21.074 -78.43155 33.33134 
1 1 1    1   12   31 o  201.443   15.436  737.013  109.381  655.718  154.574  818.547  154.802  190.012   23.016  212.874   20.575 -22.86229 30.87181 
1 1 1    1   12   33 o   90.513   13.239  148.934   39.190  165.696   67.743  140.502   48.047   93.866   20.950   87.160   16.193 6.706017 26.47844 
1 1 1    1   12   35 o  125.670   15.826  294.488   68.311  335.442   96.573  253.477   96.640  135.911   20.104  115.430   24.448 20.48111 31.65248 
1 1 1    1   12   37 o  129.846   15.611  314.152   70.163  303.052   98.989  325.357   99.463  126.464   22.993  133.227   21.123 -6.762856 31.22262 
1 1 1    1   12   39 o  168.093   15.555  527.372   91.680  454.035  129.500  601.062  129.811  155.730   23.528  180.456   20.352 -24.72661 31.10908 
1 1 1    1   12   41 o   49.991   12.443   41.684   27.253   42.839   36.949   40.305   40.358   50.030   17.238   49.951   17.948 0.7842636E-01 24.88556 
1 1 1    1   12   43 o  165.329   15.895  537.593   92.805  511.632  130.508  564.149  131.997  160.941   22.943  169.717   22.005 -8.775726 31.78995 
1 1 1    1   13    0 o  246.613   11.119  1076.55   96.900  1054.19  137.027  1098.92  137.048  244.046   15.886  249.179   15.561 -5.132248 22.23763 
1 1 1    1   13    2 o   54.273   10.384   53.838   20.430   57.713   28.870   49.950   28.914   56.063   14.471   52.482   14.895 3.580700 20.76743 
1 1 1    1   13    4 o  181.276   10.685  581.597   68.460  576.114   96.809  587.081   96.826  180.420   15.181  182.132   15.041 -1.711670 21.37090 
1 1 1    1   13    6 f  100.799   10.488  179.824   37.365  180.386   52.820  179.262   52.865  100.956   14.803  100.641   14.862 0.3156204 20.97613 
1 1 1    1   13    8 o  1781.06   33.480 56959.83  2107.55 56869.59  2980.52 57050.07  2980.55  1779.63   47.385  1782.50   47.309 -2.866577 66.95906 
1 1 1    1   13   10 o  498.652   16.914  4476.65  278.857  4598.35  341.515  4233.20  483.034  509.380   18.969  487.924   28.009 21.45566 33.82838 
1 1 1    1   13   12 o  517.235   13.647  4745.97  249.291  4528.02  352.527  4963.98  352.574  505.311   19.738  529.159   18.851 -23.84747 27.29434 
1 1 1    1   13   14 o  811.715   17.613 11719.75  505.099 11334.04  714.294 12105.51  714.342  798.270   25.317  825.160   24.493 -26.88995 35.22582 
1 1 1    1   13   16 o  478.266   13.219  4063.86  223.152  3817.52  315.555  4310.29  315.613  463.691   19.254  492.841   18.119 -29.15027 26.43887 
1 1 1    1   13   18 o  431.984   18.062  3334.73  275.635  3215.92  389.718  3453.65  389.896  424.200   25.993  439.769   25.084 -15.56860 36.12302 
1 1 1    1   13   24 o  298.235   23.301  1602.88  245.617  1602.88  245.617   0.0000   0.0000  298.235   23.301  ?   ?       ?      ? 
1 1 1    1   13   26 o  124.460   13.511  283.042   54.357  279.019   93.983  285.065   66.632  122.512   22.535  126.408   14.914 -3.896263 27.02294 
1 1 1    1   13   28 o   87.757   15.338  144.770   47.664  170.691   67.350  118.761   67.464   95.557   20.551   79.956   22.773 15.60104 30.67552 
1 1 1    1   13   30 o  301.276   16.601  1650.39  176.771  1641.79  249.895  1659.02  250.088  300.470   23.531  302.082   23.423 -1.611420 33.20162 
1 1 1    1   13   32 o  300.763   16.488  1653.28  174.565  1486.84  246.753  1820.04  246.993  285.096   24.488  316.430   22.084 -31.33456 32.97542 
1 1 1    1   13   34 o   33.407   8.1455   15.119   13.089  -3.0057   19.430   30.179   17.710   26.133   11.342   40.680   11.695 -14.54657 16.29108 
1 1 1    1   13   36 o  327.603   16.934  1991.45  195.161  1777.24  275.791  2206.30  276.209  309.087   25.245  346.118   22.578 -37.03162 33.86892 
1 1 1    1   13   38 f  105.535   16.107  214.588   58.317  212.528   82.580  216.638   82.367  104.979   22.900  106.090   22.655 -1.111229 32.21315 
1 1 1    1   13   40 o   75.065   14.794  109.147   40.810   99.674   57.466  118.785   57.966   71.956   21.176   78.174   20.665 -6.218468 29.58872 
1 1 1    1   13   42 o   29.481   8.6150   5.3480   14.553   11.311   17.947  -6.1008   24.867   30.414   11.754   28.548   12.598 1.865395 17.22995 
1 1 1    1   14    1 o  620.936   15.044  6844.97  329.521  7339.80  466.017  6350.16  466.009  643.483   20.490  598.390   22.034 45.09314 30.08879 
1 1 1    1   14    3 o  294.232   11.518  1533.61  119.706  1597.07  169.288  1470.15  169.292  300.334   15.948  288.129   16.624 12.20490 23.03654 
1 1 1    1   14    5 o  341.732   11.893  2070.50  143.421  2205.42  202.830  1935.59  202.826  352.902   16.261  330.562   17.360 22.34030 23.78659 
1 1 1    1   14    7 o  668.746   15.681  7935.87  370.575  8103.48  524.060  7768.25  524.083  675.838   21.939  661.655   22.410 14.18311 31.36156 
1 1 1    1   14    9 o  1282.11   35.738 29728.29  1619.29 29188.06  2289.97 30268.56  2290.07  1270.19   51.008  1294.03   50.071 -23.84253 71.47681 
1 1 1    1   14   11 o  215.600   10.889  824.484   82.808  763.825  117.074  885.214  117.144  207.635   15.953  223.565   14.825 -15.92953 21.77788 
1 1 1    1   14   13 o  763.283   20.567 10275.08  525.891 10788.67  910.830 10018.25  644.096  776.269   33.197  750.297   24.288 25.97229 41.13383 
1 1 1    1   14   15 o  455.964   18.530  3711.40  298.623  3699.55  422.297  3723.25  422.335  455.229   26.246  456.699   26.164 -1.469849 37.05988 
1 1 1    1   14   17 o  382.027   17.512  2613.87  235.936  2812.47  333.665  2415.27  333.661  396.735   23.795  367.318   25.701 29.41650 35.02478 
1 1 1    1   14   19 o  414.013   15.488  3059.96  213.759  3046.10  261.788  3087.70  370.277  413.452   17.914  414.575   25.270 -1.122284 30.97573 
1 1 1    1   14   21 o  221.978   10.927  879.590   85.406  792.171  120.743  967.123  120.822  210.829   16.204  233.127   14.663 -22.29808 21.85332 
1 1 1    1   14   23 o  328.124   16.900  1944.04  195.971  1975.39  277.068  1912.65  277.223  330.830   23.695  325.417   24.103 5.413696 33.79959 
1 1 1    1   14   25 o  131.533   15.684  318.000   70.912  354.489  100.262  281.477  100.307  140.382   20.207  122.684   23.992 17.69792 31.36793 
1 1 1    1   14   27 o  150.886   13.141  412.425   65.863  398.995  113.582  419.229   80.843  148.578   21.629  153.193   14.931 -4.615112 26.28193 
1 1 1    1   14   29 o  346.181   14.770  2192.52  169.147  2089.52  292.577  2244.23  207.301  338.558   24.450  353.803   16.578 -15.24484 29.54045 
1 1 1    1   14   31 o  101.923   13.647  199.191   45.150  166.622   76.486  216.610   55.936   93.808   23.198  110.038   14.382 -16.22945 27.29497 
1 1 1    1   14   33 o   85.895   14.254  139.735   43.437   94.194   61.063  186.384   61.802   71.659   21.999  100.131   18.130 -28.47215 28.50727 
1 1 1    1   14   35 o   87.321   14.064  145.836   41.159  136.207   68.864  151.187   51.337   84.541   22.608   90.102   16.736 -5.561470 28.12883 
1 1 1    1   14   37 o   75.163   14.633  107.502   40.250   95.401   56.695  119.800   57.152   71.159   21.060   79.168   20.322 -8.009270 29.26583 
1 1 1    1   14   39 o  150.279   15.497  427.500   81.889  475.651  116.040  379.731  115.578  159.288   20.611  141.270   23.148 18.01797 30.99413 
1 1 1    1   14   41 o   87.377   15.666  154.525   49.239  190.654   69.618  118.364   69.650   98.029   20.740   76.725   23.485 21.30424 31.33230 
1 1 1    1   15    0 o  661.754   15.591  7778.87  364.169  8246.88  515.015  7310.87  515.009  681.763   21.373  641.744   22.706 40.01910 31.18255 
1 1 1    1   15    2 f  1251.12   24.572 27962.97  1086.46 28395.06  1536.48 27530.88  1536.50  1260.90   34.477  1241.35   35.020 19.54285 49.14332 
1 1 1    1   15    4 o  694.485   16.017  8565.26  393.094  8723.47  555.910  8407.04  555.927  700.930   22.439  688.039   22.860 12.89124 32.03313 
1 1 1    1   15    6 o  602.638   14.751  6448.69  313.946  6153.38  443.960  6744.08  444.014  588.771   21.334  616.504   20.377 -27.73236 29.50206 
1 1 1    1   15    8 o  781.888   34.679 10940.81  958.368   0.0000   0.0000 10940.81  958.368  ?   ?   781.888   34.679      ?      ? 
1 1 1    1   15   10 o  1033.84   30.094 19311.91  1098.97 20085.18  1554.20 18538.68  1554.17  1055.00   41.681  1012.68   43.422 42.32269 60.18899 
1 1 1    1   15   12 o  978.464   28.898 17342.27  997.878 16265.46  1411.19 18419.15  1411.24  947.326   42.147  1009.60   39.549 -62.27466 57.79655 
1 1 1    1   15   14 o  421.404   15.438  3141.47  217.497  3092.91  266.377  3238.59  376.719  417.122   18.068  425.686   25.038 -8.564545 30.87688 
1 1 1    1   15   16 o  245.046   11.161  1067.36   96.668  1059.67  136.689  1075.05  136.729  244.159   15.840  245.934   15.730 -1.775482 22.32296 
1 1 1    1   15   18 o  179.549   10.832  574.175   68.642  609.354   97.047  538.956   97.102  185.096   14.834  174.002   15.789 11.09389 21.66431 
1 1 1    1   15   20 o  337.425   11.989  2033.82  142.786  2153.97  201.906  1913.62  201.955  347.502   16.439  327.348   17.455 20.15421 23.97747 
1 1 1    1   15   22 o  295.624   14.728  1614.22  142.674  1696.41  174.738  1449.85  247.125  308.248   16.039  283.000   24.706 25.24838 29.45584 
1 1 1    1   15   24 o  270.815   11.372  1311.30  108.843  1330.56  153.891  1292.02  153.964  272.830   15.959  268.801   16.206 4.028320 22.74445 
1 1 1    1   15   26 o  305.267   14.307  1672.69  145.680  1657.45  178.393  1703.20  252.405  304.182   16.593  306.352   23.311 -2.169373 28.61329 
1 1 1    1   15   28 o  131.214   15.717  317.567   71.011  348.430  100.381  286.649  100.470  138.871   20.451  123.556   23.870 15.31505 31.43325 
1 1 1    1   15   30 o  199.240   13.505  716.203   89.829  719.615  154.820  714.472  110.292  198.885   22.024  199.594   15.634 -0.7096863 27.00934 
1 1 1    1   15   32 o   84.310   12.277  148.922   34.780   72.503   57.351  193.377   43.742   64.522   21.483  104.099   11.889 -39.57631 24.55357 
1 1 1    1   15   34 o   92.925   12.483  172.423   37.762  117.791   61.725  205.101   47.738   78.830   21.541  107.021   12.620 -28.19186 24.96575 
1 1 1    1   15   36 o  120.764   14.001  271.913   55.414  272.665   93.579  271.507   68.767  119.192   23.047  122.337   15.904 -3.145050 28.00167 
1 1 1    1   15   38 o  122.601   15.803  288.573   66.990  269.822   94.502  307.513   94.977  117.259   23.619  127.942   21.003 -10.68320 31.60662 
1 1 1    1   15   40 o  112.434   16.484  255.424   63.362  238.744   89.492  272.191   89.725  108.247   24.019  116.620   22.584 -8.373268 32.96867 
1 1 1    1   16    1 o  668.591   19.282  7975.04  429.117  7935.01  743.226  7995.05  525.569  666.400   31.555  670.781   22.168 -4.380981 38.56331 
1 1 1    1   16    3 o   85.354   13.139  135.436   37.266  119.587   64.532  143.365   45.646   80.746   22.009   89.962   14.356 -9.216743 26.27712 
1 1 1    1   16    5 o  142.628   14.979  361.701   75.438  343.784  106.668  379.629  106.703  139.072   21.701  146.183   20.652 -7.110367 29.95700 
1 1 1    1   16    7 o   22.794   9.4817   1.8667   12.622   0.0000   0.0000   1.8667   12.622  ?   ?    22.794   9.4817      ?      ? 
1 1 1    1   16    9 o  332.172   14.562  1970.45  160.794  1985.74  196.930  1939.87  278.510  334.489   16.658  329.855   23.889 4.634155 29.12312 
1 1 1    1   16   11 o  410.906   15.161  2965.16  208.958  2873.61  255.915  3148.28  361.940  402.040   18.010  419.772   24.395 -17.73184 30.32276 
1 1 1    1   16   13 o  537.725   14.049  5155.83  266.994  5197.27  377.569  5114.39  377.604  539.906   19.786  535.544   19.949 4.361145 28.09713 
1 1 1    1   16   15 o  134.441   10.837  323.569   50.996  374.783   72.077  272.236   72.160  145.232   14.042  123.650   16.511 21.58209 21.67473 
1 1 1    1   16   17 o  707.807   16.384  9008.64  409.880  9079.64  579.637  8937.64  579.680  710.645   23.077  704.968   23.265 5.677063 32.76897 
1 1 1    1   16   19 o  358.232   12.086  2292.81  152.994  2238.17  216.328  2347.50  216.405  353.916   17.294  362.549   16.888 -8.633179 24.17202 
1 1 1    1   16   21 o  417.804   12.706  3127.37  187.586  3050.20  265.238  3204.60  265.336  412.577   18.189  423.030   17.746 -10.45328 25.41198 
1 1 1    1   16   23 o   63.931   13.807   73.822   34.085   75.909   47.787   71.660   48.632   64.620   19.383   63.243   19.669 1.377872 27.61405 
1 1 1    1   16   25 o  470.317   13.326  3979.75  221.508  4033.68  313.170  3925.75  313.348  473.565   18.710  467.068   18.981 6.497009 26.65268 
1 1 1    1   16   27 o  100.800   14.860  208.548   48.726  246.243   59.302  130.217   85.485  117.392   14.293   84.208   26.059 33.18396 29.72098 
1 1 1    1   16   29 o  168.873   13.351  529.108   74.047  474.799  127.591  556.690   90.926  161.424   22.363  176.323   14.590 -14.89946 26.70174 
1 1 1    1   16   31 o  115.019   15.426  249.089   60.750  185.639   85.732  313.080   86.096   98.522   24.674  131.516   18.522 -32.99405 30.85218 
1 1 1    1   16   33 o  132.930   13.710  351.609   56.417  258.467   95.380  401.732   69.969  116.200   24.018  149.661   13.228 -33.46090 27.41916 
1 1 1    1   16   35 o   83.930   15.364  135.613   46.291  158.025   65.432  113.157   65.498   90.792   20.832   77.069   22.587 13.72335 30.72714 
1 1 1    1   16   37 o  164.697   15.570  513.966   90.277  463.721  127.461  564.542  127.882  156.056   23.109  173.338   20.874 -17.28206 31.14041 
1 1 1    1   16   39 o   43.187   11.215   28.752   22.529   33.347   31.865   24.159   31.857   44.876   15.967   41.499   15.754 3.376972 22.43040 
1 1 1    1   17    2 o  523.542   19.658  4903.57  363.739  4856.92  514.394  4950.23  514.416  521.021   27.933  526.063   27.667 -5.042114 39.31546 
1 1 1    1   17    4 o  508.411   17.010  4663.53  286.325  4764.06  350.679  4462.48  495.918  517.616   19.168  499.207   28.107 18.40909 34.02067 
1 1 1    1   17    6 o  689.220   19.578  8466.07  450.557  8658.51  780.362  8369.84  551.826  693.515   31.836  684.925   22.795 8.590271 39.15545 
1 1 1    1   17    8 o  367.026   12.185  2396.34  157.971  2492.12  223.392  2300.54  223.416  374.411   16.881  359.642   17.576 14.76883 24.36987 
1 1 1    1   17   10 o   58.321   10.535   62.753   21.804   65.356   30.751   60.122   30.920   59.489   14.708   57.153   15.086 2.336517 21.06901 
1 1 1    1   17   12 o  204.023   10.936  740.842   78.816  768.938  111.432  712.716  111.494  207.922   15.163  200.125   15.763 7.797348 21.87192 
1 1 1    1   17   14 o  133.858   10.435  321.327   48.759  263.332   68.867  379.621   69.044  121.569   16.028  146.146   13.366 -24.57727 20.86973 
1 1 1    1   17   16 o  552.214   14.314  5472.42  279.050  5773.61  394.626  5171.20  394.647  567.647   19.669  536.782   20.801 30.86536 28.62818 
1 1 1    1   17   18 o   69.381   10.966   89.416   26.258   99.844   37.060   78.904   37.208   73.557   14.768   65.205   16.214 8.351982 21.93120 
1 1 1    1   17   20 o  371.574   12.306  2473.94  161.510  2571.89  228.379  2375.93  228.441  379.035   17.047  364.113   17.751 14.92233 24.61105 
1 1 1    1   17   22 o   74.410   10.935  102.892   27.828  115.743   39.254   89.906   39.457   79.312   14.539   69.508   16.337 9.803993 21.86947 
1 1 1    1   17   24 o  405.971   17.646  3012.86  252.317  2729.71  356.503  3297.05  357.158  386.214   26.117  425.729   23.736 -39.51538 35.29122 
1 1 1    1   17   26 o  172.021   10.612  529.516   64.513  520.717   90.980  538.416   91.493  170.572   15.091  173.471   14.922 -2.898849 21.22307 
1 1 1    1   17   28 o  181.244   10.684  588.985   68.437  588.836   96.291  589.136   97.285  181.234   15.032  181.253   15.186 -0.1960754E-01 21.36782 
1 1 1    1   17   30 o  188.870   13.809  670.016   85.233  585.018  146.825  713.219  104.676  178.447   23.279  199.293   14.861 -20.84544 27.61818 
1 1 1    1   17   32 f  175.158   13.977  614.574   76.501  424.565  131.029  712.840   94.228  151.041   24.544  199.275   13.379 -48.23412 27.95384 
1 1 1    1   17   34 o  169.723   15.297  538.569   90.646  445.071  127.818  633.173  128.572  154.069   23.472  185.376   19.623 -31.30647 30.59449 
1 1 1    1   17   36 o  107.828   23.144  228.937   85.565   0.0000   0.0000  228.937   85.565  ?   ?   107.828   23.144      ?      ? 
1 1 1    1   18    1 o  324.478   14.534  1886.38  156.724  1901.45  191.935  1856.21  271.488  326.977   16.608  321.980   23.856 4.997162 29.06800 
1 1 1    1   18    3 o  558.218   17.540  5576.83  326.301  5554.68  399.606  5621.16  565.252  557.905   20.265  558.531   28.633 -0.6263428 35.07928 
1 1 1    1   18    5 o  452.910   18.476  3690.84  295.372  3476.84  417.641  3905.00  417.797  439.538   26.883  466.282   25.351 -26.74405 36.95132 
1 1 1    1   18    7 o  463.659   18.693  3875.47  305.957  3656.85  432.625  4094.21  432.753  450.316   27.182  477.001   25.668 -26.68542 37.38589 
1 1 1    1   18    9 o  224.646   13.968  932.848  102.497  818.163  177.460  990.258  125.557  213.384   23.530  235.908   15.058 -22.52350 27.93576 
1 1 1    1   18   11 o  325.088   14.725  1922.37  158.117  1813.20  273.822  1976.99  193.669  317.196   24.424  332.979   16.456 -15.78339 29.45064 
1 1 1    1   18   13 o   55.638   10.430   57.019   21.078   68.618   29.798   45.403   29.819   60.888   14.120   50.389   15.355 10.49908 20.86079 
1 1 1    1   18   15 o  524.854   13.957  4944.49  258.851  5059.40  366.053  4829.56  366.088  531.049   19.502  518.659   19.970 12.39032 27.91337 
1 1 1    1   18   17 o  332.694   11.901  1980.39  139.931  2014.39  197.861  1946.38  197.925  335.586   16.681  329.801   16.980 5.785004 23.80294 
1 1 1    1   18   19 o   68.148   11.027   86.267   25.991   82.461   36.603   90.138   36.914   66.603   15.789   69.693   15.396 -3.090073 22.05353 
1 1 1    1   18   21 o  246.964   11.194  1091.50   97.710  1082.42  138.112  1100.60  138.254  245.924   15.889  248.003   15.772 -2.079025 22.38853 
1 1 1    1   18   23 o  261.017   11.255  1220.90  103.757  1165.80  146.661  1276.11  146.807  255.040   16.270  266.994   15.557 -11.95369 22.51069 
1 1 1    1   18   25 o  111.170   10.874  222.701   42.412  251.355   59.661  193.427   60.303  118.550   14.239  103.790   16.438 14.75925 21.74774 
1 1 1    1   18   27 o  183.770   10.886  606.545   70.666  627.891   99.629  584.932  100.248  187.086   15.067  180.454   15.718 6.631775 21.77286 
1 1 1    1   18   29 o  241.251   11.160  1048.04   95.154  1034.33  134.040  1061.96  135.104  239.649   15.825  242.853   15.740 -3.203735 22.31969 
1 1 1    1   18   31 o  261.079   16.401  1234.47  151.339   0.0000   0.0000  1234.47  151.339  ?   ?   261.079   16.401      ?      ? 
1 1 1    1   18   33 o  111.463   24.385  242.528   93.393   0.0000   0.0000  242.528   93.393  ?   ?   111.463   24.385      ?      ? 
1 1 1    1   18   35 o  111.208   22.998  243.758   87.411  243.758   87.411   0.0000   0.0000  111.208   22.998  ?   ?       ?      ? 
1 1 1    1   18   37 o   80.919   15.029  131.673   44.137  103.907   62.088  160.040   62.757   72.184   22.187   89.654   20.279 -17.47071 30.05830 
1 1 1    1   19    0 o  440.848   12.967  3471.24  201.980  3574.69  285.638  3367.78  285.649  447.487   18.060  434.208   18.613 13.27948 25.93454 
1 1 1    1   19    2 o  160.950   10.847  464.569   61.012  544.142   86.286  385.001   86.282  174.938   13.955  146.963   16.611 27.97508 21.69496 
1 1 1    1   19    4 o  436.911   12.887  3410.68  198.923  3296.88  281.300  3524.51  281.340  429.541   18.529  444.281   17.917 -14.73984 25.77427 
1 1 1    1   19    6 o  144.534   15.088  375.198   76.962  398.747  108.854  351.662  108.827  149.142   20.650  139.926   22.005 9.216431 30.17687 
1 1 1    1   19    8 o  301.117   14.781  1674.51  145.727  1764.33  178.477  1494.86  252.410  314.530   16.055  287.704   24.822 26.82605 29.56169 
1 1 1    1   19   10 o   65.500   13.682   77.289   34.585   98.655   48.888   55.883   48.933   72.872   18.842   58.129   19.844 14.74260 27.36436 
1 1 1    1   19   12 o  180.121   15.360  584.457   97.767  596.295  138.232  572.608  138.295  181.982   21.491  178.260   21.950 3.722336 30.71917 
1 1 1    1   19   14 o  223.232   13.861  919.270  101.488  828.109  175.664  964.943  124.338  213.956   23.229  232.508   15.130 -18.55249 27.72242 
1 1 1    1   19   16 o  240.679   11.140  1035.65   94.753  1018.64  133.952  1052.68  134.049  238.680   15.879  242.678   15.628 -3.998642 22.27955 
1 1 1    1   19   18 o  149.346   10.691  402.021   55.668  326.542   78.659  477.756   78.793  135.024   16.482  163.669   13.621 -28.64412 21.38204 
1 1 1    1   19   20 o  196.768   10.954  693.500   76.076  735.045  107.527  651.861  107.648  202.749   15.005  190.786   15.964 11.96368 21.90882 
1 1 1    1   19   22 o   81.873   11.426  124.402   32.227  156.570   45.399   91.730   45.755   93.636   13.718   70.111   18.277 23.52497 22.85228 
1 1 1    1   19   24 o   57.553   12.159   58.248   25.054   55.269   29.944   65.200   45.745   54.685   15.028   60.422   19.118 -5.736725 24.31793 
1 1 1    1   19   26 o  114.867   13.680  251.124   50.190  220.335   86.188  266.922   61.739  107.705   23.317  122.028   14.315 -14.32257 27.36006 
1 1 1    1   19   28 o  264.811   16.273  1292.80  152.274  1259.08  214.486  1327.05  216.221  261.226   23.231  268.396   22.793 -7.169495 32.54517 
1 1 1    1   19   30 o  148.432   22.627  408.888  118.707   0.0000   0.0000  408.888  118.707  ?   ?   148.432   22.627      ?      ? 
1 1 1    1   19   32 o  174.009   22.164  567.766  136.316  567.766  136.316   0.0000   0.0000  174.009   22.164  ?   ?       ?      ? 
1 1 1    1   19   34 o  146.218   15.935  416.650   79.269  343.598  111.735  490.670  112.474  131.039   25.038  161.397   19.717 -30.35831 31.86928 
1 1 1    1   19   36 o  104.162   16.366  222.040   58.720  208.796   82.850  235.408   83.236  100.646   23.685  107.679   22.591 -7.033279 32.73135 
1 1 1    1   20    1 o  217.984   11.061  848.937   84.994  919.075  120.195  778.787  120.205  227.089   14.975  208.880   16.282 18.20863 22.12138 
1 1 1    1   20    3 o   75.221   11.041  104.704   28.397   96.856   40.162  112.550   40.157   72.273   16.131   78.169   15.081 -5.896706 22.08280 
1 1 1    1   20    5 o  282.920   23.073  1444.34  230.718  1444.34  230.718   0.0000   0.0000  282.920   23.073  ?   ?       ?      ? 
1 1 1    1   20    7 o  127.984   10.562  292.125   47.778  289.478   67.503  294.781   67.632  127.399   14.991  128.569   14.883 -1.170044 21.12469 
1 1 1    1   20    9 o   81.508   10.817  120.910   30.475  131.922   43.084  109.883   43.112   86.029   14.169   76.986   16.349 9.042656 21.63483 
1 1 1    1   20   11 o  235.071   11.051  987.923   91.721  936.914  129.676  1038.99  129.750  228.929   16.026  241.214   15.219 -12.28445 22.10130 
1 1 1    1   20   13 o   86.270   13.275  141.137   38.032  151.472   46.571  120.447   65.896   92.135   14.301   80.406   22.370 11.72845 26.55089 
1 1 1    1   20   15 o  227.925   15.842  941.672  127.473  992.674  180.255  890.646  180.294  234.258   21.771  221.592   23.020 12.66640 31.68420 
1 1 1    1   20   17 o  222.079   15.850  895.464  124.176  956.622  175.570  834.248  175.652  229.876   21.609  214.283   23.192 15.59328 31.69921 
1 1 1    1   20   19 o  216.544   13.581  844.087   98.001  849.323  169.636  841.464  120.064  216.331   22.186  216.757   15.672 -0.4258575 27.16298 
1 1 1    1   20   21 o  168.826   13.126  500.703   74.766  559.527  129.151  471.052   91.693  175.645   20.804  162.008   16.013 13.63693 26.25296 
1 1 1    1   20   23 o  167.571   15.354  511.759   90.909  495.124  127.957  528.714  129.182  164.760   21.973  170.382   21.451 -5.621445 30.70801 
1 1 1    1   20   25 o   98.139   16.317  183.520   60.610  278.518   84.655   83.602   86.819  123.825   19.343   72.454   26.284 51.37048 32.63418 
1 1 1    1   20   27 o  234.934   15.850  996.875  131.614  996.875  131.614   0.0000   0.0000  234.934   15.850  ?   ?       ?      ? 
1 1 1    1   20   29 o  202.954   11.438  749.841   81.800  807.915  115.021  690.412  116.355  211.176   15.410  194.731   16.906 16.44513 22.87517 
1 1 1    1   20   31 o   66.631   11.627   90.147   29.774   33.744   48.545  124.160   37.698   50.369   19.369   82.894   12.867 -32.52522 23.25319 
1 1 1    1   20   33 o  122.571   14.231  281.955   57.922  313.990   97.624  264.552   71.956  125.961   22.766  119.181   17.082 6.779739 28.46213 
1 1 1    1   20   35 o  136.603   16.371  376.815   77.291  357.287  109.143  396.460  109.469  131.553   24.371  141.652   21.865 -10.09943 32.74164 
1 1 1    1   21    0 o   98.142   10.479  171.963   36.313  162.993   51.295  180.975   51.415   95.552   15.189  100.733   14.441 -5.181564 20.95786 
1 1 1    1   21    2 o  281.382   11.513  1418.04  114.203  1534.49  161.507  1301.58  161.508  293.092   15.591  269.673   16.945 23.41876 23.02607 
1 1 1    1   21    4 o  128.546   13.479  303.729   55.804  292.514   96.499  309.364   68.401  125.423   22.600  131.669   14.698 -6.246269 26.95873 
1 1 1    1   21    6 o   60.482   10.671   67.946   22.859   78.005   32.260   57.804   32.395   64.873   14.441   56.090   15.713 8.783134 21.34124 
1 1 1    1   21    8 o  251.230   11.237  1129.15   99.726  1169.99  141.014  1088.28  141.055  255.831   15.595  246.628   16.182 9.203156 22.47347 
1 1 1    1   21   10 o   80.169   11.020  118.766   30.100  116.656   42.622  120.865   42.513   79.415   15.741   80.923   15.427 -1.508568 22.04040 
1 1 1    1   21   12 o  261.468   11.373  1224.71  105.013  1280.88  148.471  1168.47  148.551  267.551   15.701  255.386   16.457 12.16524 22.74531 
1 1 1    1   21   14 o  381.309   12.329  2611.81  166.024  2493.28  234.723  2730.49  234.864  372.510   17.828  390.108   17.034 -17.59711 24.65724 
1 1 1    1   21   16 o  241.986   13.577  1036.98  110.354  1116.15  190.972  997.296  135.215  248.110   21.777  235.862   16.220 12.24759 27.15391 
1 1 1    1   21   18 o  144.235   21.511  377.832  109.662  377.832  109.662   0.0000   0.0000  144.235   21.511  ?   ?       ?      ? 
1 1 1    1   21   22 o  358.285   24.757  2367.78  313.512  2367.78  313.512   0.0000   0.0000  358.285   24.757  ?   ?       ?      ? 
1 1 1    1   21   24 o  347.754   14.907  2219.81  172.264  2199.03  298.065  2230.24  211.088  344.397   24.487  351.111   17.010 -6.713348 29.81497 
1 1 1    1   21   26 o   87.448   13.481  143.768   38.969  147.219   66.221  141.939   48.197   87.676   21.528   87.220   16.232 0.4565811 26.96125 
1 1 1    1   21   28 o   40.116   9.5056   25.852   16.047   17.238   21.306   37.143   24.394   34.955   12.964   45.277   13.905 -10.32220 19.01122 
1 1 1    1   21   30 f  171.866   13.641  546.710   78.736  566.557  134.687  536.406   97.046  172.813   22.051  170.920   16.064 1.893127 27.28216 
1 1 1    1   21   32 o  106.367   14.277  225.008   49.799  201.730   83.252  237.978   62.143   99.433   23.969  113.301   15.518 -13.86771 28.55425 
1 1 1    1   21   34 o  163.936   16.287  542.338   94.073  498.415  133.000  586.313  133.078  156.358   24.066  171.515   21.953 -15.15649 32.57459 
1 1 1    1   22    1 f  446.456   13.121  3587.22  206.586  3856.31  292.152  3318.12  292.163  463.509   17.833  429.402   19.250 34.10687 26.24125 
1 1 1    1   22    3 o  222.635   10.999  887.433   86.400  826.819  122.117  948.190  122.260  214.924   16.076  230.346   15.017 -15.42101 21.99867 
1 1 1    1   22    5 o  140.150   10.868  354.846   52.970  426.812   74.912  282.884   74.910  154.677   13.703  125.622   16.872 29.05569 21.73510 
1 1 1    1   22    7 o  213.281   10.980  814.238   82.703  775.570  116.890  852.999  117.030  208.146   15.889  218.415   15.160 -10.26834 21.96074 
1 1 1    1   22    9 o  262.750   11.401  1238.15  105.688  1323.41  149.449  1152.86  149.480  271.933   15.549  253.568   16.679 18.36586 22.80285 
1 1 1    1   22   11 o  298.722   14.310  1609.93  142.377  1617.27  246.512  1606.26  174.408  298.147   23.393  299.297   16.487 -1.149963 28.61919 
1 1 1    1   22   13 o  187.833   15.397  640.283  102.144  611.606  144.261  669.114  144.647  183.508   22.242  192.157   21.298 -8.649002 30.79442 
1 1 1    1   22   15 o  305.798   16.450  1717.78  175.824  1431.33  248.446  2005.19  248.859  279.259   25.171  332.337   21.186 -53.07867 32.90064 
1 1 1    1   22   17 o  172.201   13.266  533.981   76.100  529.916   93.109  542.160  132.073  171.858   15.329  172.545   21.657 -0.6870880 26.53263 
1 1 1    1   22   19 o  293.747   11.587  1553.99  120.268  1592.08  170.016  1515.84  170.153  297.420   16.173  290.073   16.596 7.347076 23.17359 
1 1 1    1   22   21 o   43.655   9.7035   33.058   17.433   46.280   24.070   18.471   25.282   49.963   13.368   37.346   14.068 12.61698 19.40691 
1 1 1    1   22   23 o  148.922   13.199  401.566   65.578  396.065   80.273  412.603  113.704  148.139   15.331  149.705   21.489 -1.565857 26.39755 
1 1 1    1   22   25 o  118.954   22.903  271.578   92.800  271.578   92.800   0.0000   0.0000  118.954   22.903  ?   ?       ?      ? 
1 1 1    1   22   27 o  286.154   16.880  1556.19  170.691  1523.12  241.318  1589.30  241.470  282.889   24.135  289.419   23.606 -6.530548 33.76003 
1 1 1    1   22   29 o   51.525   11.035   49.733   22.147   58.920   29.827   38.445   33.061   55.706   14.871   47.344   16.307 8.361961 22.06915 
1 1 1    1   22   31 o   44.525   10.348   35.698   18.715   36.727   24.557   34.271   28.907   44.649   13.991   44.401   15.250 0.2483749 20.69609 
1 1 1    1   23    0 o  275.879   11.416  1365.32  111.115  1459.65  157.185  1271.11  157.095  285.546   15.575  266.212   16.696 19.33362 22.83253 
1 1 1    1   23    2 o   88.095   10.723  140.947   32.690  146.003   46.224  135.888   46.239   90.387   14.469   85.803   15.830 4.583939 21.44642 
1 1 1    1   23    4 o  234.183   14.753  1046.88  111.033  1146.80  135.967  846.871  192.373  253.159   15.196  215.206   25.291 37.95332 29.50514 
1 1 1    1   23    6 o  246.303   13.483  1063.13  111.976  1194.80  193.896  997.245  137.161  256.808   21.362  235.797   16.458 21.01135 26.96647 
1 1 1    1   23    8 o  275.472   16.377  1382.66  159.268  1456.53  225.223  1308.77  225.256  283.061   22.512  267.884   23.791 15.17725 32.75346 
1 1 1    1   23   10 o  117.685   15.455  256.424   62.813  231.118   88.694  281.887   88.970  110.595   23.419  124.775   20.174 -14.18010 30.91045 
1 1 1    1   23   12 o   49.685   11.023   42.058   20.559   38.072   25.058   50.269   35.962   46.066   14.084   53.304   16.960 -7.237633 22.04579 
1 1 1    1   23   14 o  190.258   10.711  651.030   71.728  582.087  101.257  720.469  101.620  179.974   15.918  200.542   14.337 -20.56830 21.42280 
1 1 1    1   23   16 o  193.345   10.905  671.924   74.509  682.565  105.250  661.235  105.493  194.909   15.278  191.780   15.563 3.128952 21.80905 
1 1 1    1   23   18 o  228.820   11.061  944.065   89.295  879.468  126.160  1008.91  126.405  220.821   16.164  236.818   15.102 -15.99715 22.12127 
1 1 1    1   23   20 o  149.458   10.673  404.665   55.892  343.307   78.819  466.725   79.269  137.785   16.185  161.132   13.919 -23.34662 21.34678 
1 1 1    1   23   22 o   72.020   11.360   97.477   28.192   90.160   39.278  105.252   40.489   69.151   16.331   74.888   15.794 -5.736671 22.71924 
1 1 1    1   23   24 o   73.007   10.660   99.315   27.166   65.637   37.643  135.916   39.243   59.180   17.060   86.834   12.786 -27.65366 21.31997 
1 1 1    1   23   26 o  103.909   14.863  207.358   53.584  151.896   73.882  268.907   77.830   87.522   23.422  120.296   18.305 -32.77438 29.72680 
1 1 1    1   23   28 o  191.309   12.848  646.679   83.483  543.009  102.203  854.542  144.719  170.464   16.963  212.154   19.300 -41.69003 25.69508 
1 1 1    1   23   30 o   70.454   14.748   99.854   39.413   91.687   55.561  108.127   55.919   67.771   21.014   73.136   20.700 -5.365318 29.49701 
1 1 1    1   24    1 o  144.574   12.866  366.638   62.669  410.824  108.645  344.604   76.719  150.550   20.418  138.599   15.661 11.95052 25.73250 
1 1 1    1   24    5 o  150.218   14.524  437.353   67.911  479.256   83.206  353.739  117.535  163.613   14.388  136.824   25.234 26.78990 29.04807 
1 1 1    1   24    7 o  188.680   13.844  659.387   85.724  687.524  104.916  602.877  148.686  195.790   15.161  181.571   23.169 14.21815 27.68843 
1 1 1    1   24    9 o  177.976   10.824  568.576   68.086  565.435   96.232  571.724   96.345  177.477   15.341  178.474   15.273 -0.9964447 21.64767 
1 1 1    1   24   11 o  144.383   10.761  374.602   54.873  390.449   77.516  358.685   77.687  147.497   14.869  141.268   15.559 6.229523 21.52162 
1 1 1    1   24   13 o   95.155   11.007  168.649   35.041  118.804   49.302  219.536   49.814   79.522   17.965  110.788   12.722 -31.26608 22.01305 
1 1 1    1   24   15 o  271.376   11.436  1331.39  109.410  1223.14  154.629  1439.91  154.828  260.080   16.822  282.673   15.497 -22.59299 22.87180 
1 1 1    1   24   17 o  243.677   11.209  1080.41   95.435  895.582  134.813  1266.08  135.118  222.174   17.168  265.180   14.416 -43.00574 22.41795 
1 1 1    1   24   19 o   69.261   11.378   90.666   27.431  103.983   38.587   77.061   39.002   74.558   15.159   63.965   16.971 10.59333 22.75594 
1 1 1    1   24   21 o  158.717   10.846  457.728   60.819  441.290   85.767  474.354   86.256  155.783   15.577  161.652   15.097 -5.868698 21.69230 
1 1 1    1   24   23 o   66.269   11.005   83.086   25.604   63.069   35.486  104.826   36.981   57.839   16.531   74.699   14.530 -16.85992 22.00906 
1 1 1    1   24   25 o   50.812   10.071   47.391   19.227   32.981   26.111   64.460   28.417   43.385   14.497   58.239   13.982 -14.85382 20.14135 
1 1 1    1   24   27 o   62.569   12.039   81.828   29.898   28.820   49.908  111.500   37.340   48.589   19.352   76.550   14.328 -27.96073 24.07876 
1 1 1    1   25    0 o   80.665   21.589  122.875   62.768  122.875   62.768   0.0000   0.0000   80.665   21.589  ?   ?       ?      ? 
1 1 1    1   25    2 o  311.001   16.959  1785.47  185.207  2010.88  261.962  1560.20  261.883  331.500   22.358  290.503   25.506 40.99655 33.91792 
1 1 1    1   25    4 o  148.756   13.249  402.141   65.547  397.262  113.281  404.597   80.367  147.440   21.738  150.072   15.151 -2.631943 26.49740 
1 1 1    1   25    6 o  119.399   10.638  256.173   44.893  258.404   63.447  253.937   63.530  119.930   14.968  118.869   15.121 1.061211 21.27658 
1 1 1    1   25    8 o  151.410   10.786  413.281   57.519  373.586   81.290  453.081   81.397  143.985   15.973  158.836   14.499 -14.85115 21.57258 
1 1 1    1   25   10 o  180.622   10.913  587.844   69.669  587.781   98.450  587.908   98.604  180.615   15.422  180.629   15.445 -0.1441956E-01 21.82621 
1 1 1    1   25   12 o  276.745   11.558  1386.31  112.916  1463.01  159.647  1309.55  159.728  284.591   15.872  268.898   16.806 15.69244 23.11619 
1 1 1    1   25   14 o   95.173   11.357  167.852   36.895  196.147   52.028  139.230   52.328  104.364   14.105   85.983   17.805 18.38103 22.71485 
1 1 1    1   25   16 o  197.446   11.017  706.849   76.874  718.318  108.571  695.318  108.862  199.101   15.428  195.792   15.731 3.309464 22.03418 
1 1 1    1   25   18 o  131.472   11.141  317.445   51.054  375.165   72.057  259.260   72.347  143.951   14.163  118.992   17.202 24.95852 22.28205 
1 1 1    1   25   20 o  137.206   13.223  344.667   60.681  334.599   74.257  364.903  105.276  135.258   15.533  139.155   21.405 -3.897095 26.44689 
1 1 1    1   25   22 o  121.513   10.648  271.730   45.564  243.960   63.954  300.356   64.932  114.984   15.737  128.042   14.348 -13.05739 21.29562 
1 1 1    1   25   24 o   83.892   11.031  132.985   31.980  119.621   44.712  146.984   45.761   78.626   16.610   89.159   14.522 -10.53297 22.06261 
1 1 1    1   25   26 o   78.631   12.637  110.195   32.582   86.105   39.051  165.381   59.106   66.152   16.700   91.110   18.971 -24.95741 25.27428 
1 1 1    1   26    1 o  174.002   13.067  537.716   76.484  593.518  132.567  509.873   93.640  179.932   20.845  168.072   15.763 11.85976 26.13428 
1 1 1    1   26    3 o  106.043   10.746  203.298   40.098  224.906   56.683  181.654   56.730  111.814   14.343  100.272   16.007 11.54163 21.49292 
1 1 1    1   26    5 o   73.577   13.005   96.430   32.262   83.287   39.340  123.426   56.380   66.547   16.741   80.607   19.907 -14.06008 26.01060 
1 1 1    1   26    7 o  156.941   15.493  454.751   85.939  452.834  121.604  456.664  121.469  156.591   21.972  157.290   21.850 -0.6983490 30.98642 
1 1 1    1   26    9 o  108.192   16.166  224.773   59.887  214.450   84.516  235.184   84.872  105.508   23.287  110.876   22.428 -5.367699 32.33127 
1 1 1    1   26   11 o  191.971   13.453  669.616   86.353  697.075  149.454  655.855  105.800  193.778   21.821  190.165   15.741 3.612991 26.90648 
1 1 1    1   26   13 o  204.998   11.189  770.477   79.958  913.517  113.129  627.693  113.027  224.720   14.243  185.277   17.260 39.44302 22.37814 
1 1 1    1   26   15 o  109.030   10.813  216.657   41.639  224.632   58.694  208.576   59.080  111.124   14.944  106.936   15.631 4.188538 21.62539 
1 1 1    1   26   17 o   38.565   9.3746   23.931   15.918   33.705   22.295   13.768   22.735   43.073   13.304   34.056   13.211 9.017086 18.74912 
1 1 1    1   26   19 o  109.762   10.759  221.980   41.699  210.015   58.757  234.122   59.187  106.672   15.584  112.853   14.839 -6.180214 21.51880 
1 1 1    1   26   21 o  100.041   11.793  193.442   39.645  243.142   55.866  143.019   56.270  114.943   13.751   85.139   19.162 29.80413 23.58567 
1 1 1    1   26   23 o   97.008   11.177  179.477   37.167  153.966   51.971  206.182   53.173   88.764   17.187  105.252   14.294 -16.48763 22.35363 
1 1 1    1   27    0 f  231.620   13.938  990.065  107.217  981.090  185.586  994.561  131.357  229.186   22.911  234.053   15.879 -4.866150 27.87526 
1 1 1    1   27    2 o  220.777   11.171  885.049   87.152  906.548  123.269  863.563  123.234  223.530   15.603  218.023   15.992 5.507019 22.34266 
1 1 1    1   27    4 o   93.662   13.596  163.328   41.537  177.162   71.955  156.414   50.869   95.867   21.737   91.456   16.336 4.411270 27.19124 
1 1 1    1   27    6 o  106.719   10.715  206.966   40.314  223.708   57.076  190.298   56.950  111.145   14.529  102.294   15.752 8.851311 21.42926 
1 1 1    1   27    8 o  120.117   10.774  263.071   45.516  233.501   64.307  292.757   64.433  113.141   16.081  127.092   14.344 -13.95080 21.54889 
1 1 1    1   27   10 o   73.459   14.222  102.698   39.475  140.997   56.270   65.583   55.393   85.700   19.069   61.218   21.106 24.48201 28.44424 
1 1 1    1   27   12 o  103.415   16.238  210.791   57.834  222.583   81.676  198.933   81.905  106.604   22.389  100.227   23.524 6.376198 32.47591 
1 1 1    1   27   14 o   92.463   15.985  170.127   51.803  169.721   73.184  170.535   73.337   92.353   22.604   92.574   22.609 -0.2213516 31.97000 
1 1 1    1   27   16 o   85.705   13.442  135.406   38.154  175.972   65.855  114.910   46.810   94.482   20.324   76.928   17.598 17.55338 26.88393 
1 1 1    1   27   18 o   34.487   8.7498   18.589   13.562   15.888   18.571   21.675   19.853   32.824   12.117   36.150   12.625 -3.325745 17.49959 
1 1 1    1   27   20 o   79.901   13.689  126.574   36.646  132.562   63.719  123.615   44.795   80.218   21.872   79.584   16.468 0.6343536 27.37845 
1 1 1    1   28    1 o   75.814   13.381  111.807   34.521  115.443   42.362  104.618   59.560   78.078   15.891   73.550   21.534 4.528488 26.76274 
1 1 1    1   28    3 o   69.375   11.390   92.085   27.541   76.213   39.127  107.671   38.773   63.205   17.100   75.544   15.050 -12.33970 22.77977 
1 1 1    1   28    5 o  170.292   10.975  532.343   65.986  559.158   93.291  505.498   93.345  174.751   15.104  165.832   15.926 8.919067 21.94936 
1 1 1    1   28    7 o  137.168   10.830  345.648   52.504  341.469   74.205  349.837   74.298  136.308   15.402  138.027   15.230 -1.719162 21.66056 
1 1 1    1   28    9 o  108.592   10.777  217.441   41.291  232.125   58.438  202.801   58.350  112.409   14.709  104.775   15.757 7.633148 21.55497 
1 1 1    1   28   11 o  151.531   11.013  425.978   58.884  452.253   83.155  399.551   83.395  156.462   15.037  146.601   16.095 9.861496 22.02613 
1 1 1    1   28   13 o   5.9726   3.0187 -15.6090   2.4165 -23.7318   3.8875 -10.4937   3.0850  ?   ?    5.9726   3.0187      ?      ? 
1 1 1    1   28   15 o  118.612   13.201  261.006   52.978  303.356   91.304  239.512   65.047  124.498   20.750  112.727   16.326 11.77051 26.40237 
1 1 1    1   29    0 o   72.066   15.057  102.974   41.148  112.888   58.243   93.092   58.143   75.231   21.067   68.900   21.519 6.331764 30.11442 
1 1 1    1   29    2 o   80.608   11.222  124.063   31.219  150.383   44.234   97.939   44.068   90.418   13.842   70.798   17.668 19.62005 22.44405 
1 1 1    1   29    4 o   72.068   11.578  100.971   28.905   87.081   41.088  114.581   40.671   66.807   17.273   77.329   15.422 -10.52212 23.15599 
1 1 1    1   29    6 o   49.178   11.208   40.669   21.254   31.368   25.936   59.685   37.086   42.430   14.447   55.926   17.140 -13.49543 22.41670 
1 1 1    1   29    8 o   44.306   10.113   35.189   18.566   46.750   25.910   22.987   26.618   49.559   14.112   39.052   14.489 10.50721 20.22605 
1 1 1    1   29   10 o   81.430   13.494  143.863   38.677   84.014   66.836  173.995   47.424   66.026   23.160   96.835   13.856 -30.80887 26.98825 
1 1 1    2    0    0 o  1444.89   27.599 37078.21  1989.94 37078.21  1989.94 37078.21  1989.94  1444.89   39.030  1444.89   39.030 -0.000000 0.000000 
1 1 1    2    0    2 o  155.832   11.008  442.046   83.777  442.046   83.777  442.046   83.777  155.832   15.567  155.832   15.567 -0.000000 0.000000 
1 1 1    2    0    4 f  1410.20   27.048 35327.22  1903.40 35327.22  1903.40 35327.22  1903.40  1410.20   38.252  1410.20   38.252 -0.000000 0.000000 
1 1 1    2    0    6 o  202.642   16.189  753.965  158.583  753.965  158.583  753.965  158.583  202.642   22.894  202.642   22.894 -0.000000 0.000000 
1 1 1    2    0    8 o  410.882   12.643  3003.71  258.535  3003.71  258.535  3003.71  258.535  410.882   17.880  410.882   17.880 -0.000000 0.000000 
1 1 1    2    0   12 o  879.802   18.803 13769.29  825.159 13769.29  825.159 13769.29  825.159  879.802   26.591  879.802   26.591 -0.000000 0.000000 
1 1 1    2    0   14 o  331.017   11.801  1953.19  194.125  1953.19  194.125  1953.19  194.125  331.017   16.689  331.017   16.689 -0.000000 0.000000 
1 1 1    2    0   18 o  334.965   12.159  2000.10  202.359  2000.10  202.359  2000.10  202.359  334.965   17.196  334.965   17.196 -0.000000 0.000000 
1 1 1    2    0   20 o  433.474   13.895  3344.86  299.660  3344.86  299.660  3344.86  299.660  433.474   19.651  433.474   19.651 -0.000000 0.000000 
1 1 1    2    0   22 o  649.558   17.111  7503.00  553.805  7503.00  553.805  7503.00  553.805  649.558   24.199  649.558   24.199 -0.000000 0.000000 
1 1 1    2    0   24 o  138.549   8.1683  346.461   55.663  346.461   55.663  346.461   55.663  138.549   11.552  138.549   11.552 -0.000000 0.000000 
1 1 1    2    0   26 o  120.172   12.456  271.598   70.112  271.598   70.112  271.598   70.112  120.172   17.615  120.172   17.615 -0.000000 0.000000 
1 1 1    2    0   28 o  694.906   16.402  8608.66  568.268  8608.66  568.268  8608.66  568.268  694.906   23.196  694.906   23.196 -0.000000 0.000000 
1 1 1    2    0   30 o  216.533   11.477  845.696  122.610  845.696  122.610  845.696  122.610  216.533   16.230  216.533   16.230 -0.000000 0.000000 
1 1 1    2    0   32 o  110.620   18.324  250.798   88.051  250.798   88.051  250.798   88.051  110.620   25.913  110.620   25.913 -0.000000 0.000000 
1 1 1    2    0   40 o  134.474   20.124  366.373  118.986  366.373  118.986  366.373  118.986  134.474   28.460  134.474   28.460 -0.000000 0.000000 
1 1 1    2    1    1 o  1166.55   23.073 24154.28  950.791 23225.52  1344.62 25083.05  1344.62  1144.02   33.254  1189.07   31.994 -45.05188 46.14614 
1 1 1    2    1    3 o  628.404   15.295  6991.76  339.688  7066.53  480.392  6916.99  480.390  631.771   21.514  625.038   21.745 6.732849 30.58928 
1 1 1    2    1    5 o  450.406   16.226  3645.43  241.635  3443.93  418.542  3746.17  295.935  440.740   26.868  460.073   18.199 -19.33356 32.45148 
1 1 1    2    1    7 o  622.302   15.152  6864.70  333.063  7136.04  471.023  6593.36  471.022  634.639   20.999  609.966   21.848 24.67303 30.30336 
1 1 1    2    1    9 o  602.891   21.043  6476.40  448.346  6594.94  634.019  6357.84  634.094  608.455   29.482  597.328   30.035 11.12708 42.08619 
1 1 1    2    1   11 o  770.646   20.339 10443.64  525.623 10127.41  643.711 11076.35  910.526  754.473   24.139  786.818   32.741 -32.34497 40.67819 
1 1 1    2    1   13 o  509.326   16.776  4598.77  284.955  4636.90  493.486  4579.70  349.023  510.473   27.352  508.179   19.432 2.293610 33.55156 
1 1 1    2    1   15 o  631.774   20.628  7106.42  459.233  6472.83  649.297  7740.63  649.610  603.386   30.446  660.161   27.841 -56.77509 41.25606 
1 1 1    2    1   17 o  305.237   14.848  1701.14  148.458  1511.04  257.125  1796.20  181.827  291.899   24.923  318.575   16.148 -26.67667 29.69684 
1 1 1    2    1   19 o  840.749   17.579 12538.44  522.196 12178.00  738.461 12898.96  738.532  828.618   25.215  852.879   24.500 -24.26141 35.15701 
1 1 1    2    1   21 o  296.794   9.4677  1559.04   99.269  1613.67  140.365  1504.37  140.411  302.003   13.150  291.584   13.624 10.41910 18.93533 
1 1 1    2    1   23 o  997.731   24.392 18183.46  799.912 16565.78  1385.28 18992.67  979.762  961.768   40.752  1033.69   26.817 -71.92468 48.78370 
1 1 1    2    1   25 o  307.902   17.559  1693.64  189.881  1908.45  268.211  1477.80  268.854  327.691   23.158  288.113   26.402 39.57742 35.11872 
1 1 1    2    1   27 o  594.164   18.265  6268.77  362.526  6193.54  444.062  6419.12  627.743  589.859   21.300  598.470   29.677 -8.611206 36.52951 
1 1 1    2    1   29 o  264.135   8.7448  1237.76   81.639  1233.47  115.416  1242.04  115.494  263.676   12.384  264.594   12.350 -0.9171448 17.48969 
1 1 1    2    1   31 o  149.409   15.343  397.714   81.025  397.714   81.025   0.0000   0.0000  149.409   15.343  ?   ?       ?      ? 
1 1 1    2    1   33 o  316.818   16.460  1815.05  184.226  1744.25  259.605  1886.87  261.475  310.477   23.657  323.160   22.892 -12.68362 32.92006 
1 1 1    2    1   35 o  207.801   12.261  743.184   85.746  679.095  104.368  876.285  150.406  194.932   15.148  220.670   19.284 -25.73753 24.52250 
1 1 1    2    1   37 o   56.380   14.118   48.099   35.569   32.311   48.391   66.654   52.459   50.680   19.374   62.081   20.541 -11.40098 28.23606 
1 1 1    2    1   39 o  198.414   22.965  719.496  161.049   0.0000   0.0000  719.496  161.049  ?   ?   198.414   22.965      ?      ? 
1 1 1    2    1   43 o  167.083   24.734  524.966  146.066   0.0000   0.0000  524.966  146.066  ?   ?   167.083   24.734      ?      ? 
1 1 1    2    2    0 o  136.801   14.837  331.835   71.560  358.995  101.218  304.692  101.186  142.416   20.108  131.185   21.823 11.23080 29.67471 
1 1 1    2    2    2 o  453.547   18.393  3645.24  294.830  3682.75  416.959  3607.73  416.946  455.888   25.877  451.207   26.145 4.680206 36.78541 
1 1 1    2    2    4 o  947.312   24.394 16009.77  768.149 15741.56  1330.52 16143.87  940.772  940.480   40.027  954.145   27.896 -13.66565 48.78890 
1 1 1    2    2    6 o  1062.99   20.923 20068.06  785.778 20721.27  1111.24 19414.81  1111.27  1080.38   29.101  1045.61   30.070 34.77344 41.84592 
1 1 1    2    2    8 o  342.789   11.655  2081.35  141.183  2031.56  199.640  2131.17  199.684  338.679   16.678  346.900   16.286 -8.221069 23.31076 
1 1 1    2    2   10 o  1073.23   21.102 20561.30  800.415 20298.67  1131.92 20823.98  1132.00  1066.30   30.034  1080.15   29.651 -13.84766 42.20465 
1 1 1    2    2   12 o  678.304   15.460  8174.03  370.399  7825.35  523.778  8522.83  523.868  663.758   22.326  692.850   21.393 -29.09204 30.92097 
1 1 1    2    2   14 o  343.432   14.736  2146.43  166.180  1935.70  287.752  2251.88  203.557  330.234   24.653  356.630   16.149 -26.39621 29.47171 
1 1 1    2    2   16 o  317.538   14.355  1806.88  150.956  1847.32  184.893  1726.02  261.434  323.068   16.192  312.008   23.707 11.05988 28.70902 
1 1 1    2    2   18 o  804.455   17.282 11486.99  490.586 10735.58  693.742 12238.62  693.843  778.024   25.228  830.886   23.627 -52.86200 34.56400 
1 1 1    2    2   20 o  1233.44   29.224 27389.30  1195.34 26518.11  2070.27 27824.97  1464.03  1216.30   48.158  1250.57   33.122 -34.26672 58.44880 
1 1 1    2    2   22 o  640.073   14.616  7277.83  329.648  6620.10  466.119  7935.98  466.268  610.990   21.585  669.155   19.715 -58.16522 29.23282 
1 1 1    2    2   24 o  551.969   17.133  5433.26  314.520  5358.47  544.607  5470.69  385.263  548.578   28.088  555.361   19.627 -6.782654 34.26633 
1 1 1    2    2   26 o  756.087   23.181 10258.86  618.271  9525.84  874.033 10993.00  874.704  728.640   33.939  783.533   31.585 -54.89313 46.36221 
1 1 1    2    2   28 o  202.350   14.599  733.294  103.600  626.489  146.021  841.546  147.008  187.321   22.055  217.379   19.134 -30.05768 29.19822 
1 1 1    2    2   30 o  262.862   12.902  1173.61  114.905  1038.72  140.511  1445.93  199.641  241.423   16.467  284.301   19.868 -42.87709 25.80485 
1 1 1    2    2   32 o  194.653   12.372  634.946   81.694  535.216   99.832  837.100  142.134  173.127   16.315  216.180   18.602 -43.05344 24.74302 
1 1 1    2    2   34 o  393.793   25.328  2822.33  352.523   0.0000   0.0000  2822.33  352.523  ?   ?   393.793   25.328      ?      ? 
1 1 1    2    2   36 o  102.831   22.439  198.838   79.263  198.838   79.263   0.0000   0.0000  102.831   22.439  ?   ?       ?      ? 
1 1 1    2    3    1 o  592.775   20.749  6233.77  434.579  6413.61  614.585  6053.93  614.591  601.358   28.915  584.191   29.765 17.16730 41.49786 
1 1 1    2    3    3 o  501.738   19.135  4464.27  339.280  4366.80  479.788  4561.76  479.842  496.241   27.355  507.235   26.765 -10.99341 38.27095 
1 1 1    2    3    5 o  176.572   15.124  552.359   94.378  545.075  133.436  559.652  133.505  175.404   21.524  177.739   21.252 -2.335526 30.24727 
1 1 1    2    3    7 o  1042.06   29.854 19457.70  1099.01 18751.56  1554.17 20163.96  1554.30  1022.89   42.988  1061.23   41.438 -38.34717 59.70888 
1 1 1    2    3    9 o  379.804   14.581  2546.38  185.023  2606.09  320.452  2516.51  226.612  382.845   23.682  376.763   17.017 6.082275 29.16218 
1 1 1    2    3   11 o  802.255   24.935 11529.06  707.029 11502.62  999.815 11555.51  999.963  801.324   35.301  803.187   35.225 -1.863586 49.86948 
1 1 1    2    3   13 o  440.402   15.584  3425.76  229.176  3487.35  396.898  3394.95  280.698  443.082   25.344  437.721   18.143 5.361023 31.16893 
1 1 1    2    3   15 o  588.152   20.169  6151.42  418.427  5701.63  591.632  6601.56  591.857  566.506   29.548  609.797   27.461 -43.29041 40.33815 
1 1 1    2    3   17 o  743.562   33.402  9831.74  877.836   0.0000   0.0000  9831.74  877.836  ?   ?   743.562   33.402      ?      ? 
1 1 1    2    3   19 o  821.244   20.904 12073.40  569.611 11705.55  986.526 12257.37  697.653  811.042   34.415  831.447   23.740 -20.40576 41.80878 
1 1 1    2    3   21 o  1000.34   28.592 17890.55  1010.34 17198.32  1428.65 18583.16  1429.03  980.758   41.214  1019.92   39.642 -39.16504 57.18428 
1 1 1    2    3   23 o  600.538   20.266  6427.12  429.194  5931.60  606.749  6923.37  607.195  577.177   29.743  623.899   27.536 -46.72192 40.53188 
1 1 1    2    3   25 o  769.946   34.370 10618.51  935.326   0.0000   0.0000 10618.51  935.326  ?   ?   769.946   34.370      ?      ? 
1 1 1    2    3   27 o  376.772   24.608  2535.39  327.703   0.0000   0.0000  2535.39  327.703  ?   ?   376.772   24.608      ?      ? 
1 1 1    2    3   33 o   89.673   21.653  150.692   67.851  150.692   67.851   0.0000   0.0000   89.673   21.653  ?   ?       ?      ? 
1 1 1    2    3   35 o  163.526   21.572  483.564  124.681  483.564  124.681   0.0000   0.0000  163.526   21.572  ?   ?       ?      ? 
1 1 1    2    3   37 o  155.488   14.681  437.037   80.303  382.492  111.431  495.971  115.828  145.235   21.708  165.742   19.773 -20.50659 29.36289 
1 1 1    2    3   39 o  347.228   24.463  2215.23  300.225  2215.23  300.225   0.0000   0.0000  347.228   24.463  ?   ?       ?      ? 
1 1 1    2    3   41 o   84.511   16.837  137.282   52.203  147.908   67.378  121.325   82.569   88.095   21.766   80.926   25.694 7.168709 33.67401 
1 1 1    2    3   43 o  193.747   23.763  704.197  162.725   0.0000   0.0000  704.197  162.725  ?   ?   193.747   23.763      ?      ? 
1 1 1    2    4    0 o  247.210   11.266  1081.83   98.366  1128.34  139.107  1035.32  139.113  252.533   15.585  241.887   16.272 10.64612 22.53144 
1 1 1    2    4    2 o  776.156   21.128 10653.00  547.371 10822.04  948.097 10568.49  670.381  780.183   34.382  772.129   24.565 8.053467 42.25605 
1 1 1    2    4    4 o  536.640   16.433  5053.03  295.274  5269.94  511.447  4944.58  361.630  544.922   26.555  528.358   19.365 16.56433 32.86589 
1 1 1    2    4    6 o  1131.47   27.258 22757.74  1030.19 23327.39  1784.35 22472.92  1261.72  1139.86   44.290  1123.07   31.786 16.78821 54.51576 
1 1 1    2    4    8 o  180.575   12.846  577.723   77.323  580.143  133.927  576.514   94.702  180.751   20.964  180.400   14.853 0.3511200 25.69190 
1 1 1    2    4   10 o  790.480   20.910 11063.17  552.612 11415.88  957.148 10886.82  676.811  798.665   33.907  782.295   24.478 16.37018 41.81966 
1 1 1    2    4   12 o  558.523   15.668  5437.46  270.064  5737.49  540.133  5337.46  311.841  568.071   26.902  548.975   16.072 19.09650 31.33676 
1 1 1    2    4   14 o  695.967   22.376  8618.72  549.925  8202.62  777.616  9035.02  777.806  679.048   32.400  712.886   30.870 -33.83820 44.75142 
1 1 1    2    4   16 o  484.520   15.770  4205.16  253.152  4029.64  438.430  4292.94  310.061  476.609   26.027  492.431   17.815 -15.82150 31.53966 
1 1 1    2    4   18 o  562.974   28.606  5627.29  569.209   0.0000   0.0000  5627.29  569.209  ?   ?   562.974   28.606      ?      ? 
1 1 1    2    4   20 o  757.063   33.832 10205.62  905.280   0.0000   0.0000 10205.62  905.280  ?   ?   757.063   33.832      ?      ? 
1 1 1    2    4   26 o  654.905   31.194  7691.23  722.055  7691.23  722.055   0.0000   0.0000  654.905   31.194  ?   ?       ?      ? 
1 1 1    2    4   28 o  183.321   21.607  600.538  139.997  600.538  139.997   0.0000   0.0000  183.321   21.607  ?   ?       ?      ? 
1 1 1    2    4   30 o  360.781   17.296  2346.00  220.551  2354.39  311.610  2337.58  312.204  361.447   24.392  360.115   24.529 1.331757 34.59234 
1 1 1    2    4   32 o  178.358   15.901  575.307   99.876  628.482  140.942  521.669  141.553  186.838   21.343  169.878   23.576 16.95992 31.80147 
1 1 1    2    4   34 o  239.230   15.918  1035.96  134.594  1034.80  189.800  1037.13  190.895  239.109   22.458  239.351   22.565 -0.2421722 31.83660 
1 1 1    2    4   36 o  235.247   15.274  1003.23  126.566  902.660  177.647  1106.90  180.367  223.009   22.538  247.484   20.620 -24.47543 30.54750 
1 1 1    2    4   38 o  100.836   14.275  186.771   49.877  143.904   68.209  236.032   73.119   87.263   22.094  114.409   18.082 -27.14584 28.54994 
1 1 1    2    4   40 o  218.075   16.873  879.986  129.348  963.039  180.753  792.814  185.181  229.228   22.310  206.921   25.320 22.30659 33.74687 
1 1 1    2    4   42 o   74.540   11.301   86.302   30.468   34.990   37.556  185.098   52.112   47.769   17.294  101.311   14.553 -53.54196 22.60237 
1 1 1    2    4   44 o  179.655   23.544  613.382  149.502   0.0000   0.0000  613.382  149.502  ?   ?   179.655   23.544      ?      ? 
1 1 1    2    5    1 o  689.173   15.713  8420.69  382.729  8326.94  541.248  8514.44  541.273  685.325   22.345  693.022   22.098 -7.697449 31.42627 
1 1 1    2    5    3 o  1007.57   20.310 18048.44  723.246 17899.34  1022.81 18197.54  1022.84  1003.38   28.841  1011.75   28.603 -8.373657 40.61943 
1 1 1    2    5    5 o   95.741   13.795  167.827   43.365  159.451   75.107  172.015   53.112   92.931   22.992   98.551   15.248 -5.619858 27.58900 
1 1 1    2    5    7 o  1056.30   25.960 19971.47  914.106 20165.05  1583.28 19874.68  1119.55  1057.49   42.361  1055.10   30.021 2.386108 51.91996 
1 1 1    2    5    9 o  379.342   14.829  2550.25  187.590  2570.56  324.909  2540.09  229.753  380.173   24.180  378.511   17.174 1.661926 29.65838 
1 1 1    2    5   11 o  777.778   20.942 10754.15  542.939 10815.56  940.390 10723.45  664.965  778.496   34.177  777.059   24.212 1.436829 41.88386 
1 1 1    2    5   13 o  202.553   15.162  727.840  108.388  682.741  153.223  773.010  153.345  196.248   22.090  208.857   20.773 -12.60846 30.32318 
1 1 1    2    5   15 o  302.385   13.624  1617.58  145.605   0.0000   0.0000  1617.58  145.605  ?   ?   302.385   13.624      ?      ? 
1 1 1    2    5   17 o  875.002   26.208 13583.00  810.522   0.0000   0.0000 13583.00  810.522  ?   ?   875.002   26.208      ?      ? 
1 1 1    2    5   19 o  157.469   21.231  439.469  118.162   0.0000   0.0000  439.469  118.162  ?   ?   157.469   21.231      ?      ? 
1 1 1    2    5   21 o  403.965   25.009  2897.76  357.071  2897.76  357.071   0.0000   0.0000  403.965   25.009  ?   ?       ?      ? 
1 1 1    2    5   23 o  1040.23   29.593 19458.43  1087.07 18531.79  1537.17 20385.51  1537.54  1015.02   42.848  1065.44   40.830 -50.41479 59.18614 
1 1 1    2    5   25 o  561.190   19.705  5633.36  389.759  5151.67  550.986  6115.81  551.419  536.888   29.036  585.492   26.647 -48.60382 39.40969 
1 1 1    2    5   27 o  877.789   38.055 14033.06  1180.65   0.0000   0.0000 14033.06  1180.65  ?   ?   877.789   38.055      ?      ? 
1 1 1    2    5   29 o  114.218   22.213  241.765   86.445  241.765   86.445   0.0000   0.0000  114.218   22.213  ?   ?       ?      ? 
1 1 1    2    5   31 o  283.101   15.864  1446.27  158.271  1319.03  223.500  1574.26  224.161  270.355   23.390  295.847   21.437 -25.49136 31.72750 
1 1 1    2    5   33 f  384.226   17.495  2682.86  237.493  2592.35  335.545  2773.73  336.188  377.559   25.145  390.894   24.333 -13.33548 34.99096 
1 1 1    2    5   35 o  336.618   16.526  2061.94  196.016  1875.02  276.509  2250.76  277.913  320.851   24.383  352.385   22.314 -31.53336 33.05183 
1 1 1    2    5   37 o  145.671   15.495  385.645   79.725  389.678  111.109  381.365  114.461  146.538   21.452  144.803   22.365 1.735916 30.99006 
1 1 1    2    5   39 o   88.392   16.269  148.902   51.265  156.375   69.243  139.836   76.264   90.823   21.839   85.961   24.119 4.862427 32.53724 
1 1 1    2    5   41 o  109.969   15.030  224.491   57.129  188.027   77.925  266.865   84.003   99.085   22.734  120.853   19.666 -21.76764 30.05936 
1 1 1    2    5   43 o   63.833   12.463   63.208   29.370   32.989   35.759  125.850   51.484   46.390   16.862   81.275   18.356 -34.88506 24.92551 
1 1 1    2    5   45 o   78.855   21.548  123.005   61.766  123.005   61.766   0.0000   0.0000   78.855   21.548  ?   ?       ?      ? 
1 1 1    2    6    0 o  384.373   12.415  2618.78  168.611  2688.41  238.448  2549.16  238.458  389.498   17.321  379.248   17.790 10.24966 24.82904 
1 1 1    2    6    2 o  710.738   16.413  8975.11  412.260  9113.36  583.015  8836.84  583.032  716.242   23.030  705.234   23.390 11.00781 32.82545 
1 1 1    2    6    4 o  745.951   16.585  9892.78  437.255  9813.51  618.360  9972.05  618.385  742.945   23.549  748.958   23.360 -6.013062 33.16997 
1 1 1    2    6    6 o  656.532   15.526  7660.11  360.253  7747.47  509.462  7572.74  509.486  660.297   21.830  652.767   22.083 7.529785 31.05151 
1 1 1    2    6    8 o  400.772   12.400  2847.52  175.637  2884.35  248.378  2810.69  248.399  403.372   17.422  398.172   17.651 5.200378 24.80029 
1 1 1    2    6   10 o  844.497   26.070 12672.58  778.138   0.0000   0.0000 12672.58  778.138  ?   ?   844.497   26.070      ?      ? 
1 1 1    2    6   12 o  647.799   30.790  7460.54  704.980   0.0000   0.0000  7460.54  704.980  ?   ?   647.799   30.790      ?      ? 
1 1 1    2    6   14 f  769.181   34.134 10524.69  927.968   0.0000   0.0000 10524.69  927.968  ?   ?   769.181   34.134      ?      ? 
1 1 1    2    6   16 o  233.719   15.559  968.020  128.521  981.486  181.794  954.566  181.719  235.348   21.855  232.090   22.153 3.258575 31.11870 
1 1 1    2    6   18 o  453.592   18.257  3651.50  292.641  3728.10  413.920  3574.93  413.793  458.369   25.549  448.815   26.085 9.553589 36.51323 
1 1 1    2    6   20 o  891.342   20.675 13810.61  569.898 14792.32  1139.81 13483.39  658.058  910.673   35.412  872.010   21.351 38.66351 41.35075 
1 1 1    2    6   22 o  581.213   19.877  6039.27  405.662  5249.14  573.521  6830.34  573.863  542.728   29.898  619.697   26.200 -76.96930 39.75392 
1 1 1    2    6   24 o  933.118   27.784 15683.04  916.322 15591.96  1295.72 15774.16  1296.03  930.357   39.404  935.878   39.181 -5.520264 55.56828 
1 1 1    2    6   26 o  564.133   19.862  5719.80  394.742  5192.34  558.044  6248.05  558.456  537.663   29.366  590.604   26.753 -52.94104 39.72482 
1 1 1    2    6   28 o  139.343   16.584  357.322   78.725  423.741  111.142  290.443  111.527  153.934   20.428  124.752   26.131 29.18279 33.16803 
1 1 1    2    6   30 o  193.304   15.925  674.393  108.353  742.331  153.051  606.129  153.419  203.276   21.303  183.332   23.677 19.94382 31.84940 
1 1 1    2    6   32 o  161.405   15.059  469.697   85.863  450.887  121.138  488.689  121.723  158.100   21.678  164.711   20.909 -6.610947 30.11863 
1 1 1    2    6   34 o  302.787   16.437  1664.30  175.833  1608.10  248.277  1720.86  249.055  297.531   23.609  308.042   22.875 -10.51074 32.87363 
1 1 1    2    6   36 o   97.488   16.105  179.674   54.507  189.301   76.002  169.477   78.216  100.300   22.040   94.677   23.487 5.623169 32.20903 
1 1 1    2    6   38 o  261.687   16.293  1252.52  150.693  1252.56  212.237  1252.49  213.997  261.728   22.943  261.645   23.141 0.8312988E-01 32.58634 
1 1 1    2    6   40 f  103.413   22.385  203.583   79.446  203.583   79.446   0.0000   0.0000  103.413   22.385  ?   ?       ?      ? 
1 1 1    2    6   42 o  112.200   14.147  234.246   53.762  161.398   72.691  322.212   79.879   91.391   22.625  133.008   16.992 -41.61786 28.29467 
1 1 1    2    6   44 o  171.828   14.374  557.500   84.268  389.362  115.910  746.003  122.729  142.757   22.972  200.899   17.284 -58.14175 28.74828 
1 1 1    2    7    1 f  259.079   13.964  1198.19  120.185  1171.82  208.153  1211.38  147.200  256.726   22.940  261.433   15.930 -4.706329 27.92887 
1 1 1    2    7    3 o  251.385   13.673  1115.38  114.826  1140.47  198.861  1102.84  140.641  253.322   22.210  249.447   15.952 3.874649 27.34531 
1 1 1    2    7    5 o  548.766   17.100  5362.92  312.378  5333.71  541.015  5377.52  382.598  547.058   27.981  550.474   19.665 -3.416748 34.19952 
1 1 1    2    7    7 f  376.721   17.306  2521.91  230.428  2528.07  325.882  2515.76  325.866  377.183   24.445  376.259   24.504 0.9240417 34.61195 
1 1 1    2    7    9 o  427.459   18.041  3244.66  272.544  3192.69  385.443  3296.62  385.428  424.019   25.719  430.898   25.307 -6.878845 36.08232 
1 1 1    2    7   11 f  1147.67   28.262 23678.81  1076.03 24023.86  1317.88 22988.77  1863.69  1162.28   32.081  1133.05   46.538 29.22998 56.52380 
1 1 1    2    7   13 o  517.412   18.772  4783.26  339.622  3980.57  480.197  5586.64  480.401  473.500   28.693  561.323   24.214 -87.82242 37.54499 
1 1 1    2    7   15 o  234.224   13.265  989.477  102.507  920.003  177.511  1024.24  125.559  227.852   22.042  240.595   14.765 -12.74318 26.53044 
1 1 1    2    7   17 o  553.222   17.296  5483.79  317.107  5268.12  549.216  5591.63  388.385  544.610   28.532  561.834   19.558 -17.22418 34.59231 
1 1 1    2    7   19 o  1014.13   41.620 18404.41  1491.80   0.0000   0.0000 18404.41  1491.80  ?   ?   1014.13   41.620      ?      ? 
1 1 1    2    7   21 f  430.128   12.930  3054.79  175.376  3783.43  350.796  2812.00  202.499  461.731   21.495  398.525   14.376 63.20615 25.85983 
1 1 1    2    7   23 o  772.712   23.284 10742.76  630.666  9171.26  891.692 12315.70  892.102  715.147   35.278  830.277   30.400 -115.1303 46.56888 
1 1 1    2    7   25 o  853.193   25.211 13201.92  755.391 11516.97  1068.07 14888.24  1068.50  797.299   37.902  909.087   33.254 -111.7882 50.42206 
1 1 1    2    7   27 o  101.099   15.481  189.917   53.734  178.050   75.898  201.843   76.086   97.810   22.432  104.389   21.342 -6.578972 30.96288 
1 1 1    2    7   29 f  210.558   15.389  796.962  114.395  752.923  161.633  841.161  161.924  204.633   22.348  216.483   21.163 -11.85045 30.77789 
1 1 1    2    7   31 o  184.056   15.789  612.570  102.410  664.425  144.626  560.421  145.034  192.055   21.306  176.057   23.308 15.99841 31.57825 
1 1 1    2    7   33 o  181.190   15.285  593.421   97.861  577.555  138.111  609.419  138.684  178.710   21.865  183.669   21.363 -4.958649 30.56943 
1 1 1    2    7   35 o  236.742   16.007  1017.90  133.919  1036.46  189.065  999.214  189.719  238.979   22.384  234.505   22.890 4.473343 32.01500 
1 1 1    2    7   37 o  140.673   15.058  359.633   74.777  336.431  104.759  383.733  106.770  135.954   21.801  145.391   20.777 -9.437424 30.11628 
1 1 1    2    7   39 o   96.270   13.406  170.933   44.555  104.045   60.444  250.528   65.935   74.580   21.652  117.960   15.815 -43.37975 26.81294 
1 1 1    2    7   41 o  123.501   14.205  287.563   57.910  177.539   79.259  413.556   84.816   95.866   23.560  151.136   15.878 -55.27030 28.41050 
1 1 1    2    7   43 o  159.904   15.823  482.232   89.368  473.395  123.743  491.866  129.203  158.505   22.088  161.303   22.663 -2.799011 31.64614 
1 1 1    2    7   45 o  133.498   15.574  348.893   71.226  293.671   98.002  410.716  103.695  120.489   23.857  146.507   20.025 -26.01717 31.14746 
1 1 1    2    8    0 o  711.829   23.309  9004.56  586.438   0.0000   0.0000  9004.56  586.438  ?   ?   711.829   23.309      ?      ? 
1 1 1    2    8    2 o  517.792   19.487  4773.65  356.637  4787.68  504.368  4759.62  504.355  518.559   27.519  517.026   27.600 1.533020 38.97465 
1 1 1    2    8    4 o  272.306   13.853  1310.55  125.897  1301.51  154.197  1328.60  218.045  271.059   16.095  273.554   22.552 -2.494446 27.70622 
1 1 1    2    8    6 o  991.522   25.048 17559.10  826.807 17586.94  1012.64 17503.41  1432.04  994.342   28.814  988.701   40.980 5.640930 50.09563 
1 1 1    2    8    8 o  363.092   11.937  2334.54  153.160  2279.70  216.588  2389.39  216.612  358.818   17.078  367.366   16.683 -8.547882 23.87412 
1 1 1    2    8   10 o  569.823   14.299  5752.44  287.943  5866.07  407.201  5638.79  407.224  575.466   20.020  564.181   20.422 11.28540 28.59827 
1 1 1    2    8   12 f  459.288   15.349  3648.03  237.385  3457.87  290.698  4028.67  411.272  441.914   18.612  476.662   24.412 -34.74844 30.69733 
1 1 1    2    8   14 o  197.954   13.470  690.211   89.082  705.289  154.287  682.671  109.106  199.502   21.881  196.406   15.717 3.095673 26.94060 
1 1 1    2    8   16 o  1201.16   29.673 26026.09  1180.92 25053.83  2045.38 26512.23  1446.33  1181.79   48.968  1220.53   33.527 -38.73987 59.34629 
1 1 1    2    8   18 o  221.060   13.587  903.329   97.618  765.726  169.052  972.164  119.567  207.755   23.022  234.366   14.434 -26.61089 27.17308 
1 1 1    2    8   20 o  465.199   17.764  3835.29  292.078   0.0000   0.0000  3835.29  292.078  ?   ?   465.199   17.764      ?      ? 
1 1 1    2    8   22 o  416.972   15.535  3153.35  213.381  2908.69  369.557  3275.71  261.348  404.142   25.872  429.802   17.204 -25.65909 31.06977 
1 1 1    2    8   24 o  217.404   12.171  812.901   89.369  928.117  154.749  755.245  109.469  228.468   19.164  206.339   15.010 22.12904 24.34265 
1 1 1    2    8   26 o  492.296   19.129  4362.85  332.783  4265.12  470.488  4460.70  470.764  486.678   27.352  497.913   26.750 -11.23502 38.25842 
1 1 1    2    8   28 o  149.947   14.724  404.568   77.563  353.208  109.484  456.317  109.899  140.224   22.091  159.671   19.474 -19.44716 29.44864 
1 1 1    2    8   30 o  178.669   15.515  575.668   97.898  600.492  138.267  550.712  138.632  182.616   21.422  174.723   22.449 7.892181 31.02979 
1 1 1    2    8   32 o  150.075   14.698  407.936   77.355  349.406  109.100  467.107  109.696  138.988   22.209  161.161   19.258 -22.17314 29.39569 
1 1 1    2    8   34 o  298.491   16.701  1621.11  176.147  1659.34  248.846  1582.72  249.375  302.131   23.303  294.850   23.929 7.280762 33.40133 
1 1 1    2    8   36 o  212.566   15.571  822.258  116.902  784.202  164.724  860.874  165.930  207.486   22.462  217.646   21.570 -10.15939 31.14185 
1 1 1    2    8   38 o  119.576   16.135  269.808   65.691  264.309   91.716  275.600   94.132  118.315   22.759  120.837   22.878 -2.522781 32.27025 
1 1 1    2    8   40 o  176.119   15.093  570.941   93.636  513.153  131.020  631.269  133.869  166.709   22.236  185.529   20.415 -18.81960 30.18635 
1 1 1    2    8   42 o  180.073   15.733  607.401  100.099  588.531  139.505  627.426  143.712  177.180   22.277  182.967   22.223 -5.786469 31.46606 
1 1 1    2    9    1 o  342.882   23.832  2086.61  288.820  2086.61  288.820   0.0000   0.0000  342.882   23.832  ?   ?       ?      ? 
1 1 1    2    9    3 o  931.496   27.584 15498.53  908.134 15451.05  1284.24 15546.02  1284.35  930.054   39.068  932.938   38.950 -2.883789 55.16713 
1 1 1    2    9    5 o  813.670   21.496 11661.83  585.298 12108.70  1013.76 11438.39  716.842  824.496   34.788  802.844   25.262 21.65204 42.99275 
1 1 1    2    9    7 o  909.515   19.156 14683.52  615.779 14826.18  870.831 14540.84  870.856  913.953   26.958  905.077   27.223 8.876404 38.31249 
1 1 1    2    9    9 o  860.344   18.562 13134.31  564.303 13466.48  798.038 12802.12  798.053  871.268   25.915  849.420   26.582 21.84802 37.12404 
1 1 1    2    9   11 o  152.854   14.916  414.066   80.540  398.211  113.854  429.947  113.946  149.917   21.487  155.791   20.694 -5.873871 29.83163 
1 1 1    2    9   13 o  357.494   12.083  2262.38  152.676  2270.89  215.909  2253.86  215.925  358.168   17.055  356.820   17.121 1.347717 24.16658 
1 1 1    2    9   15 o  261.347   11.397  1209.65  105.204  1261.97  148.778  1157.33  148.784  267.011   15.765  255.683   16.464 11.32776 22.79458 
1 1 1    2    9   17 o  1908.06   45.062 67221.98  2837.47 63571.39  4914.60 69047.33  3475.19  1857.93   74.841  1958.18   50.212 -100.2406 90.12416 
1 1 1    2    9   19 o  372.565   16.880  2469.83  221.704  2673.76  313.631  2266.14  313.444  388.043   22.868  357.088   24.835 30.95428 33.75945 
1 1 1    2    9   21 o  739.271   20.801  9998.78  505.048  9066.97  874.699 10464.80  618.579  711.325   34.791  767.216   22.812 -55.89093 41.60294 
1 1 1    2    9   23 o  200.152   15.456  713.786  109.284  739.454  154.501  688.086  154.601  203.783   21.451  196.521   22.258 7.262360 30.91188 
1 1 1    2    9   25 o  276.960   13.598  1343.26  126.525  1447.00  219.098  1291.36  154.978  284.480   21.790  269.439   16.274 15.04132 27.19674 
1 1 1    2    9   27 o  159.789   12.282  485.577   57.906  400.593  115.644  514.015   66.897  149.379   21.904  170.199   11.121 -20.81989 24.56488 
1 1 1    2    9   29 o  101.409   14.496  190.276   50.936  142.889   71.782  238.334   72.289   87.414   22.943  115.403   17.723 -27.98834 28.99139 
1 1 1    2    9   31 o  358.096   17.787  2341.91  223.742  2630.78  316.320  2052.68  316.518  380.937   23.494  335.255   26.712 45.68259 35.57354 
1 1 1    2    9   33 o  274.645   15.694  1375.85  150.643  1143.44  212.724  1609.65  213.360  250.641   24.013  298.649   20.213 -48.00792 31.38767 
1 1 1    2    9   35 o   61.241   13.788   66.568   33.822   76.161   47.033   56.295   48.672   64.501   19.202   57.982   19.791 6.518417 27.57569 
1 1 1    2    9   37 o   78.668   21.925  116.373   63.241   0.0000   0.0000  116.373   63.241  ?   ?    78.668   21.925      ?      ? 
1 1 1    2    9   39 f   93.704   23.101  168.382   76.023   0.0000   0.0000  168.382   76.023  ?   ?    93.704   23.101      ?      ? 
1 1 1    2    9   45 o   85.308   22.318  149.420   68.064  149.420   68.064   0.0000   0.0000   85.308   22.318  ?   ?       ?      ? 
1 1 1    2   10    0 o  650.349   15.425  7496.78  354.522  7610.46  501.357  7383.09  501.384  655.295   21.647  645.403   21.980 9.891846 30.84926 
1 1 1    2   10    2 o  404.291   12.578  2895.51  179.599  3025.05  253.986  2765.95  253.997  413.358   17.385  395.225   18.183 18.13248 25.15635 
1 1 1    2   10    4 o  148.664   11.927  369.209   60.205  317.751   73.708  472.356  104.355  133.995   15.563  163.333   18.077 -29.33772 23.85345 
1 1 1    2   10    6 o  1231.81   34.234 27174.06  1490.32 26726.84  2107.57 27621.33  2107.70  1221.54   48.815  1242.08   48.011 -20.54431 68.46866 
1 1 1    2   10    8 o  686.157   22.478  8367.36  545.117  8320.57  770.854  8414.17  770.971  684.228   31.875  688.086   31.701 -3.858887 44.95533 
1 1 1    2   10   10 f  428.159   15.485  3284.45  219.626  3143.75  380.375  3354.82  268.997  420.994   25.563  435.325   17.483 -14.33081 30.96984 
1 1 1    2   10   12 o  238.191   11.029  1005.62   92.638  926.809  130.991  1084.48  131.030  228.827   16.196  247.555   14.975 -18.72829 22.05857 
1 1 1    2   10   14 o  440.853   12.861  3442.30  200.398  3435.12  283.395  3449.48  283.415  440.392   18.207  441.314   18.170 -0.9218750 25.72225 
1 1 1    2   10   16 o  758.572   16.822 10219.59  450.647  9738.30  637.280 10700.97  637.341  740.620   24.345  776.525   23.222 -35.90527 33.64440 
1 1 1    2   10   18 o  763.207   21.294 10699.68  532.023  9501.80  921.420 11298.76  651.617  728.842   35.769  797.573   23.115 -68.73102 42.58789 
1 1 1    2   10   20 o  231.583   22.112  953.312  180.988   0.0000   0.0000  953.312  180.988  ?   ?   231.583   22.112      ?      ? 
1 1 1    2   10   22 o  968.578   23.540 16486.93  767.493 18200.11  1329.34 15630.35  939.980  1003.04   37.497  934.115   28.471 68.92657 47.08097 
1 1 1    2   10   24 o  493.610   15.721  4267.39  260.967  4653.02  451.980  4074.54  319.627  509.163   25.116  478.056   18.917 31.10712 31.44247 
1 1 1    2   10   26 o  206.205   12.480  704.758   87.391  977.725  151.359  568.256  107.034  233.932   18.306  178.478   16.967 55.45337 24.96017 
1 1 1    2   10   28 f  163.831   15.584  485.718   89.583  551.450  126.627  419.855  126.753  175.195   20.450  152.466   23.522 22.72922 31.16801 
1 1 1    2   10   30 o  159.481   14.633  462.072   81.326  373.946  114.747  551.018  115.280  143.781   22.580  175.181   18.619 -31.39961 29.26589 
1 1 1    2   10   32 o   69.414   20.292   88.625   52.923   0.0000   0.0000   88.625   52.923  ?   ?    69.414   20.292      ?      ? 
1 1 1    2   10   38 o   80.759   21.555  123.845   62.673  123.845   62.673   0.0000   0.0000   80.759   21.555  ?   ?       ?      ? 
1 1 1    2   10   40 o   88.000   15.884  149.432   49.536  147.238   68.518  151.834   71.698   87.376   22.155   88.624   22.768 -1.247246 31.76870 
1 1 1    2   10   42 o  101.410   16.186  202.426   56.596  193.259   78.112  212.557   82.114   98.988   22.797  103.832   22.983 -4.843956 32.37124 
1 1 1    2   10   44 o   92.679   14.846  169.312   47.887  124.694   64.235  225.134   71.849   78.421   22.182  106.937   19.737 -28.51620 29.69135 
1 1 1    2   11    1 o  773.798   17.156 10619.52  468.990 10984.59  663.244 10254.43  663.260  787.147   23.840  760.449   24.677 26.69751 34.31149 
1 1 1    2   11    3 o  549.931   14.088  5356.38  273.819  5369.50  387.223  5343.26  387.254  550.606   19.898  549.255   19.948 1.350464 28.17517 
1 1 1    2   11    5 o  446.261   12.740  3528.10  200.754  3346.69  283.886  3709.56  283.931  434.758   18.475  457.764   17.549 -23.00555 25.48097 
1 1 1    2   11    7 o  1320.90   25.555 31062.91  1193.04 30776.18  1687.19 31349.65  1687.23  1314.75   36.308  1327.04   35.973 -12.28333 51.11045 
1 1 1    2   11    9 o  572.308   20.354  5816.88  411.685  5743.76  582.149  5890.04  582.273  568.693   28.963  575.924   28.605 -7.231079 40.70715 
1 1 1    2   11   11 o  1098.35   31.264 21587.57  1213.67 21462.35  1716.31 21712.82  1716.47  1095.12   44.342  1101.57   44.086 -6.450684 62.52826 
1 1 1    2   11   13 o  482.181   18.603  4138.63  315.893  3733.41  446.649  4544.19  446.830  458.394   27.568  505.968   24.986 -47.57343 37.20631 
1 1 1    2   11   15 o  811.103   21.693 11762.25  584.850 11574.72  1012.97 11856.02  716.299  805.169   35.595  817.037   24.805 -11.86847 43.38516 
1 1 1    2   11   17 o  317.288   11.560  1784.88  129.509  1694.30  183.124  1875.52  183.183  309.208   16.756  325.368   15.929 -16.15982 23.11928 
1 1 1    2   11   19 o  879.874   23.409 14073.69  680.356 13280.10  1178.37 14470.53  833.277  858.741   38.824  901.007   26.166 -42.26611 46.81852 
1 1 1    2   11   21 o  640.098   30.848  7362.38  697.891   0.0000   0.0000  7362.38  697.891  ?   ?   640.098   30.848      ?      ? 
1 1 1    2   11   23 o   59.009   11.644   66.329   25.126   45.062   43.526   76.959   30.771   53.411   18.692   64.607   13.889 -11.19557 23.28720 
1 1 1    2   11   25 o  410.306   15.589  3074.24  210.968  2874.06  365.359  3174.36  258.399  398.877   25.916  421.734   17.335 -22.85724 31.17898 
1 1 1    2   11   27 o  485.289   27.247  4284.81  467.351   0.0000   0.0000  4284.81  467.351  ?   ?   485.289   27.247      ?      ? 
1 1 1    2   11   29 o  285.849   23.217  1479.80  234.565   0.0000   0.0000  1479.80  234.565  ?   ?   285.849   23.217      ?      ? 
1 1 1    2   11   31 o   75.975   20.883  107.557   57.812   0.0000   0.0000  107.557   57.812  ?   ?    75.975   20.883      ?      ? 
1 1 1    2   11   33 o  296.945   23.439  1606.18  245.996  1606.18  245.996   0.0000   0.0000  296.945   23.439  ?   ?       ?      ? 
1 1 1    2   11   35 o  277.892   16.473  1413.76  161.783  1434.18  228.569  1393.26  229.024  279.985   23.097  275.800   23.495 4.185577 32.94666 
1 1 1    2   11   37 o  206.085   15.649  780.524  113.770  725.129  160.547  836.400  161.245  198.465   22.888  213.706   21.348 -15.24142 31.29795 
1 1 1    2   11   39 o   66.206   14.595   80.971   37.930   87.468   52.074   73.629   55.359   68.294   20.175   64.118   21.096 4.176308 29.19015 
1 1 1    2   11   41 o  113.510   17.136  255.213   68.187  321.572   95.389  185.872   97.509  131.002   20.602   96.018   27.389 34.98412 34.27253 
1 1 1    2   11   43 o   60.382   12.506   64.952   29.344   38.134   38.345  102.852   45.584   48.256   17.473   72.508   17.896 -24.25228 25.01170 
1 1 1    2   12    0 o  1085.95   21.793 20956.34  836.267 21474.98  1182.65 20437.68  1182.67  1099.46   30.434  1072.44   31.201 27.02576 43.58577 
1 1 1    2   12    2 o  533.278   13.771  5038.32  259.432  4851.23  366.869  5225.45  366.915  523.351   19.833  543.205   19.111 -19.85376 27.54258 
1 1 1    2   12    4 o  583.050   14.528  6022.74  299.359  6116.07  423.347  5929.40  423.369  587.579   20.385  578.521   20.705 9.058289 29.05603 
1 1 1    2   12    6 o  566.071   14.207  5677.12  284.206  5569.42  401.908  5784.83  401.947  560.688   20.281  571.455   19.901 -10.76636 28.41382 
1 1 1    2   12    8 o  534.537   13.587  5066.39  256.315  4748.27  362.454  5384.60  362.513  517.696   19.809  551.377   18.602 -33.68066 27.17377 
1 1 1    2   12   10 o  566.070   17.658  5705.36  332.426  5741.24  407.100  5633.56  575.886  569.169   20.237  562.972   28.942 6.196960 35.31528 
1 1 1    2   12   12 o  463.064   13.190  3799.70  215.876  3813.53  305.283  3785.86  305.308  463.909   18.619  462.218   18.688 1.691132 26.38010 
1 1 1    2   12   14 o  380.214   16.078  2691.99  197.882  2920.35  242.338  2235.05  342.792  405.991   16.888  354.438   27.363 51.55280 32.15536 
1 1 1    2   12   16 o  625.263   21.140  6985.74  465.963  6406.21  658.861  7565.66  659.080  599.032   31.119  651.495   28.622 -52.46295 42.28037 
1 1 1    2   12   18 o  495.736   19.019  4389.60  332.842  4142.12  470.616  4637.27  470.804  481.607   27.647  509.864   26.126 -28.25720 38.03839 
1 1 1    2   12   20 o  380.283   15.023  2572.11  190.507  2595.00  329.935  2560.67  233.333  381.011   24.500  379.555   17.393 1.455841 30.04647 
1 1 1    2   12   22 o  141.526   14.456  355.943   72.312   0.0000   0.0000  355.943   72.312  ?   ?   141.526   14.456      ?      ? 
1 1 1    2   12   26 o  359.491   24.450  2338.72  310.662   0.0000   0.0000  2338.72  310.662  ?   ?   359.491   24.450      ?      ? 
1 1 1    2   12   28 o  212.288   16.173  818.521  120.674  914.066  170.467  722.543  170.852  225.057   21.430  199.519   24.228 25.53712 32.34575 
1 1 1    2   12   30 o  312.219   16.546  1773.35  182.133  1630.98  257.422  1916.06  257.727  299.308   24.334  325.131   22.428 -25.82336 33.09261 
1 1 1    2   12   32 o  340.805   13.976  2058.15  160.016  2223.51  277.009  1975.33  196.031  349.853   22.402  331.756   16.718 18.09671 27.95259 
1 1 1    2   12   34 o   43.860   15.836   28.981   31.461   0.0000   0.0000   28.981   31.461  ?   ?    43.860   15.836      ?      ? 
1 1 1    2   12   36 f  152.885   15.372  428.287   83.062  431.762  117.226  424.782  117.711  153.542   21.601  152.227   21.878 1.315018 30.74476 
1 1 1    2   12   38 o  306.511   16.842  1753.90  182.355  1685.65  257.491  1822.56  258.288  300.218   24.266  312.803   23.362 -12.58456 33.68451 
1 1 1    2   12   40 o  145.106   16.828  407.141   83.666  455.932  117.532  357.015  119.128  155.889   21.331  134.323   26.032 21.56566 33.65579 
1 1 1    2   12   42 o  106.013   23.891  228.245   87.377   0.0000   0.0000  228.245   87.377  ?   ?   106.013   23.891      ?      ? 
1 1 1    2   13    1 o  415.426   12.656  3057.76  185.671  3203.01  262.571  2912.50  262.585  425.318   17.467  405.533   18.320 19.78522 25.31220 
1 1 1    2   13    3 o  700.872   16.074  8710.71  398.143  8850.41  563.046  8571.00  563.073  706.511   22.548  695.232   22.915 11.27985 32.14793 
1 1 1    2   13    5 o  507.616   13.709  4568.03  245.734  4794.07  347.510  4341.97  347.531  520.215   18.900  495.016   19.863 25.19897 27.41841 
1 1 1    2   13    7 o  603.284   14.820  6452.84  315.919  6612.69  446.771  6292.99  446.783  610.781   20.696  595.788   21.217 14.99347 29.63902 
1 1 1    2   13    9 o  864.118   26.437 13353.37  806.113 14225.45  1139.96 12481.12  1140.07  892.675   36.131  835.562   38.604 57.11383 52.87441 
1 1 1    2   13   11 o  961.610   19.916 16454.53  676.731 16049.56  957.011 16859.56  957.072  949.695   28.511  973.526   27.815 -23.83191 39.83144 
1 1 1    2   13   13 o  526.287   13.977  4920.24  259.460  5281.14  366.933  4559.35  366.931  545.688   19.025  506.885   20.481 38.80301 27.95395 
1 1 1    2   13   15 o  155.155   10.444  426.585   57.263  434.884   80.963  418.277   81.002  156.669   14.621  153.641   14.917 3.028503 20.88743 
1 1 1    2   13   17 o  175.646   13.378  555.481   77.750  527.266  134.607  569.607   95.245  172.075   22.132  179.217   15.036 -7.141815 26.75699 
1 1 1    2   13   19 o  218.011   22.006  848.667  169.564  848.667  169.564   0.0000   0.0000  218.011   22.006  ?   ?       ?      ? 
1 1 1    2   13   23 o  297.908   16.355  1602.58  171.333  1785.54  242.353  1419.77  242.249  315.276   21.749  280.540   24.431 34.73645 32.70940 
1 1 1    2   13   25 o  149.760   13.158  410.671   64.833  377.151  112.251  427.450   79.419  144.663   21.954  154.856   14.510 -10.19315 26.31592 
1 1 1    2   13   27 o   83.373   12.394  111.019   35.682  204.500   61.638   63.902   43.760  106.911   16.312   59.834   18.665 47.07721 24.78856 
1 1 1    2   13   29 o  163.749   13.344  505.618   70.773  419.759  122.133  549.024   86.839  152.120   22.716  175.379   14.009 -23.25873 26.68839 
1 1 1    2   13   31 o  219.589   14.008  955.542   96.014  663.509  165.699  1103.16  117.807  190.576   24.600  248.603   13.407 -58.02762 28.01617 
1 1 1    2   13   33 o  181.971   13.784  595.440   84.042  613.175  144.635  586.400  103.264  183.316   22.323  180.625   16.175 2.691574 27.56730 
1 1 1    2   13   35 o   69.377   14.600   89.244   38.617   98.909   53.893   79.044   55.363   72.587   20.243   66.166   21.043 6.421364 29.19904 
1 1 1    2   13   37 o   93.462   16.115  168.666   52.952  188.904   74.298  147.776   75.486   99.354   21.760   87.570   23.777 11.78391 32.23099 
1 1 1    2   13   39 o   51.328   12.676   43.728   28.229   39.276   38.225   49.068   41.866   49.203   17.490   53.454   18.353 -4.251419 25.35217 
1 1 1    2   13   41 o  101.356   16.564  207.357   58.139  208.090   81.092  206.581   83.400  101.706   23.087  101.006   23.759 0.6999817 33.12830 
1 1 1    2   14    0 o  553.028   14.253  5423.92  278.372  5674.85  393.664  5172.96  393.692  565.866   19.683  540.189   20.620 25.67743 28.50631 
1 1 1    2   14    2 o  144.311   10.377  368.851   52.880  350.305   74.755  387.425   74.812  140.673   15.035  147.950   14.307 -7.277527 20.75423 
1 1 1    2   14    4 o  280.789   13.827  1388.79  129.754  1424.06  224.709  1371.15  158.927  283.315   22.440  278.264   16.159 5.051270 27.65304 
1 1 1    2   14    6 o  252.803   11.246  1131.98  100.454  1165.61  142.062  1098.34  142.064  256.567   15.666  249.038   16.140 7.529327 22.49256 
1 1 1    2   14    8 o  746.612   23.629  9951.40  623.295  9643.09  881.371 10259.86  881.573  734.926   33.931  758.297   32.893 -23.37067 47.25706 
1 1 1    2   14   10 f  421.785   12.794  3156.20  190.529  3320.06  269.431  2992.30  269.466  432.779   17.614  410.792   18.559 21.98621 25.58719 
1 1 1    2   14   12 o  415.523   15.277  3011.70  213.277  3245.40  369.405  2894.84  261.210  427.083   24.472  403.962   18.295 23.12094 30.55459 
1 1 1    2   14   14 o  788.442   24.794 11177.98  690.648 10819.13  976.740 11536.80  976.706  775.565   35.632  801.319   34.486 -25.75397 49.58730 
1 1 1    2   14   16 o  114.193   15.696  240.602   61.041  221.634   86.318  259.576   86.331  109.443   23.043  118.944   21.319 -9.500237 31.39227 
1 1 1    2   14   18 o  489.923   16.914  4397.01  272.496  4582.27  333.762  4026.65  471.907  507.073   18.623  472.773   28.241 34.29971 33.82868 
1 1 1    2   14   20 o  243.226   11.112  1053.44   95.523  1043.68  135.052  1063.21  135.128  242.091   15.783  244.362   15.646 -2.271027 22.22390 
1 1 1    2   14   22 o  223.272   22.166  896.710  174.919  896.710  174.919   0.0000   0.0000  223.272   22.166  ?   ?       ?      ? 
1 1 1    2   14   24 o  128.700   15.535  310.868   66.929  212.440   94.543  409.749   94.760  106.131   25.518  151.268   17.724 -45.13734 31.06923 
1 1 1    2   14   26 o  120.317   15.593  268.503   64.256  216.191   90.827  320.916   90.915  107.046   24.532  133.588   19.255 -26.54177 31.18601 
1 1 1    2   14   28 o  158.609   13.295  465.126   69.183  417.293  119.510  489.235   84.845  151.731   22.285  165.488   14.506 -13.75684 26.59005 
1 1 1    2   14   30 o  302.592   14.600  1702.02  144.780  1528.20  250.426  1789.29  177.439  289.224   24.498  315.960   15.889 -26.73618 29.19933 
1 1 1    2   14   32 o  123.049   15.908  284.251   66.630  276.825   93.928  291.773   94.533  121.320   22.740  124.779   22.251 -3.458565 31.81558 
1 1 1    2   14   34 o  132.735   15.584  327.339   71.521  310.181  100.951  344.630  101.342  128.115   23.146  137.355   20.875 -9.239456 31.16878 
1 1 1    2   14   36 o  159.960   12.925  444.340   70.223  549.580  121.224  391.189   86.149  173.086   19.816  146.834   16.600 26.25218 25.84979 
1 1 1    2   14   38 o  125.975   16.103  303.518   70.142  318.874   98.893  287.973   99.501  130.503   21.440  121.446   24.031 9.057228 32.20525 
1 1 1    2   14   40 o   86.047   15.911  148.393   48.935  147.447   68.682  149.370   69.741   85.799   22.405   86.295   22.598 -0.4959412 31.82257 
1 1 1    2   14   42 o   81.393   15.342  135.421   45.441  108.557   62.833  164.875   65.794   72.864   22.307   89.923   21.070 -17.05897 30.68431 
1 1 1    2   15    1 o  833.960   18.082 12371.04  532.514 12971.71  753.084 11770.37  753.093  854.338   24.940  813.581   26.190 40.75684 36.16470 
1 1 1    2   15    3 o  221.039   10.859  866.121   84.714  812.955  119.753  919.378  119.855  214.228   15.816  227.850   14.883 -13.62166 21.71725 
1 1 1    2   15    5 o  1140.74   22.750 23229.12  917.251 23364.13  1297.17 23094.09  1297.21  1144.09   32.079  1137.39   32.269 6.697876 45.50059 
1 1 1    2   15    7 o  1059.94   30.618 20047.07  1147.03   0.0000   0.0000 20047.07  1147.03  ?   ?   1059.94   30.618      ?      ? 
1 1 1    2   15    9 o  525.854   19.710  4935.87  365.851  4647.89  517.398  5223.85  517.385  510.360   28.683  541.349   27.041 -30.98895 39.41982 
1 1 1    2   15   11 o  878.042   26.639 13893.92  826.675 14053.04  1169.13 13734.82  1169.06  883.169   37.454  872.916   37.892 10.25262 53.27841 
1 1 1    2   15   13 o  423.433   15.303  3140.51  217.550  3028.74  266.446  3364.05  376.798  412.806   18.262  434.059   24.561 -21.25299 30.60581 
1 1 1    2   15   15 o  208.117   11.015  771.042   80.784  838.968  114.230  703.078  114.261  217.355   14.869  198.880   16.255 18.47412 22.03005 
1 1 1    2   15   17 o  184.969   10.803  608.998   70.546  575.371   99.745  642.655   99.788  179.823   15.694  190.114   14.851 -10.29143 21.60634 
1 1 1    2   15   19 o  434.850   12.897  3378.71  198.226  3365.96  280.314  3391.47  280.354  434.020   18.273  435.679   18.206 -1.658661 25.79486 
1 1 1    2   15   21 o  431.392   12.772  3334.89  194.288  3076.27  274.710  3593.71  274.819  414.425   18.755  448.359   17.342 -33.93414 25.54373 
1 1 1    2   15   23 o  161.904   13.884  504.443   71.573  385.856  123.838  563.925   87.705  145.931   24.010  177.877   13.950 -31.94640 27.76825 
1 1 1    2   15   25 o  199.979   13.515  723.563   89.683  706.237  155.319  732.229  109.845  197.556   22.244  202.402   15.355 -4.845596 27.02904 
1 1 1    2   15   27 o  259.574   15.997  1226.84  145.904  1077.17  206.220  1376.86  206.460  243.245   23.986  275.903   21.172 -32.65807 31.99375 
1 1 1    2   15   29 o  106.915   16.147  215.910   59.199  236.518   83.428  195.011   84.016  112.376   21.791  101.453   23.835 10.92231 32.29490 
1 1 1    2   15   31 o  157.347   13.428  457.072   69.705  421.283  120.029  475.285   85.624  151.894   22.358  162.801   14.880 -10.90729 26.85683 
1 1 1    2   15   33 o  253.038   14.058  1220.83  115.179  1016.41  198.536  1324.53  141.409  234.608   23.943  271.469   14.738 -36.86086 28.11526 
1 1 1    2   15   35 o   21.741   6.4092   1.8501   8.1052   4.0666   10.286  -1.7801   13.164   21.867   8.7599   21.615   9.3582 0.2522030 12.81843 
1 1 1    2   15   37 o   85.112   14.683  139.968   44.197  111.221   61.727  170.208   63.310   75.979   21.830   94.244   19.643 -18.26511 29.36661 
1 1 1    2   15   39 o   99.528   16.319  198.860   56.303  191.926   79.297  205.910   79.955   97.645   23.301  101.411   22.854 -3.766693 32.63829 
1 1 1    2   15   41 o  104.285   16.017  224.417   57.508  188.767   80.679  261.238   81.994   94.733   24.052  113.837   21.157 -19.10423 32.03348 
1 1 1    2   16    0 o  675.845   15.825  8118.49  377.972  8249.95  534.514  7987.01  534.551  681.349   22.196  670.341   22.562 11.00781 31.64939 
1 1 1    2   16    2 o  230.527   13.143  915.024  102.242  1035.41  177.108  854.850  125.213  241.449   20.754  219.605   16.132 21.84377 26.28588 
1 1 1    2   16    4 o  854.116   26.036 13110.48  785.705 13511.71  1111.20 12709.32  1111.11  867.406   36.245  840.827   37.388 26.57861 52.07263 
1 1 1    2   16    6 o  634.129   21.599  7196.14  483.973  7385.62  684.476  7006.70  684.407  642.582   30.138  625.676   30.949 16.90558 43.19853 
1 1 1    2   16    8 o   93.146   14.586  153.824   48.021  153.824   48.021   0.0000   0.0000   93.146   14.586  ?   ?       ?      ? 
1 1 1    2   16   10 o  272.124   11.335  1314.67  109.015  1303.66  154.146  1325.69  154.193  270.979   16.094  273.269   15.965 -2.289856 22.66932 
1 1 1    2   16   12 o  260.018   11.231  1202.74  103.033  1120.88  145.679  1284.68  145.741  251.107   16.414  268.929   15.333 -17.82202 22.46155 
1 1 1    2   16   14 o  263.680   11.268  1237.41  104.953  1190.53  148.389  1284.34  148.462  258.648   16.232  268.713   15.632 -10.06506 22.53507 
1 1 1    2   16   16 o  558.899   14.443  5599.12  284.802  5979.60  402.770  5218.64  402.771  578.160   19.710  539.638   21.117 38.52185 28.88637 
1 1 1    2   16   18 o  292.526   11.621  1529.16  119.883  1646.24  169.531  1412.05  169.550  303.852   15.786  281.201   17.059 22.65109 23.24250 
1 1 1    2   16   20 o   94.918   10.429  160.806   34.926  149.559   49.336  172.104   49.449   91.559   15.246   98.277   14.236 -6.718094 20.85872 
1 1 1    2   16   22 o   89.396   14.944  150.513   47.331  196.031   67.007  105.188   66.865  102.888   19.130   75.904   22.964 26.98368 29.88800 
1 1 1    2   16   24 o  237.353   13.426  988.204  107.336  1096.43  185.848  934.038  131.482  246.309   21.348  228.398   16.288 17.91066 26.85184 
1 1 1    2   16   26 o  266.057   14.220  1301.91  124.629  1208.31  215.718  1348.81  152.690  257.654   23.688  274.460   15.740 -16.80566 28.44081 
1 1 1    2   16   28 o  145.366   14.524  424.102   64.012  299.339  110.427  487.240   78.556  125.582   25.743  165.150   13.458 -39.56810 29.04900 
1 1 1    2   16   30 o  123.030   15.287  281.815   64.426  235.803   90.861  328.340   91.364  111.430   23.794  134.631   19.201 -23.20088 30.57462 
1 1 1    2   16   32 o  291.942   16.338  1574.60  167.842  1408.77  237.056  1741.29  237.673  275.845   24.315  308.039   21.830 -32.19385 32.67637 
1 1 1    2   16   34 o  154.205   13.489  427.338   70.192  463.081  120.318  408.897   86.423  158.269   21.509  150.140   16.286 8.129028 26.97878 
1 1 1    2   16   36 o  100.763   16.154  198.477   56.211  204.331   79.171  192.526   79.822  102.409   22.489   99.117   23.196 3.292305 32.30806 
1 1 1    2   16   38 o   80.023   15.667  127.839   45.889  134.469   64.014  120.830   65.816   82.156   21.716   77.891   22.589 4.265137 31.33429 
1 1 1    2   16   40 o   53.247   18.439   51.477   42.300   0.0000   0.0000   51.477   42.300  ?   ?    53.247   18.439      ?      ? 
1 1 1    2   17    1 o  563.963   28.816  5696.08  574.379  5696.08  574.379   0.0000   0.0000  563.963   28.816  ?   ?       ?      ? 
1 1 1    2   17    3 o  432.790   18.194  3347.21  278.306  3319.56  393.594  3374.85  393.573  430.983   25.839  434.598   25.622 -3.614777 36.38864 
1 1 1    2   17    5 o  331.605   11.968  1960.23  139.527  2191.52  197.323  1728.94  197.320  351.340   15.890  311.871   17.901 39.46823 23.93624 
1 1 1    2   17    7 o   93.107   11.628  140.338   35.779   92.606   43.760  236.604   62.145   70.781   17.573  115.433   15.232 -44.65275 23.25564 
1 1 1    2   17    9 o  109.518   10.548  213.199   40.797  222.700   57.639  203.661   57.754  111.978   14.563  107.058   15.263 4.919647 21.09628 
1 1 1    2   17   11 f  304.207   11.636  1647.52  125.104  1639.85  176.896  1655.20  176.953  303.494   16.491  304.921   16.419 -1.426910 23.27106 
1 1 1    2   17   13 o  507.570   13.695  4607.97  245.534  4426.52  347.209  4789.49  347.266  497.454   19.748  517.686   18.979 -20.23187 27.38942 
1 1 1    2   17   15 o  380.109   12.315  2581.43  165.358  2480.03  233.822  2682.89  233.880  372.560   17.757  387.658   17.070 -15.09830 24.63099 
1 1 1    2   17   17 o  410.259   12.639  3012.22  183.231  2939.52  259.095  3084.94  259.159  405.245   18.089  415.272   17.657 -10.02744 25.27818 
1 1 1    2   17   19 o  137.637   10.568  338.161   51.380  324.623   72.616  351.733   72.708  134.851   15.236  140.422   14.650 -5.571091 21.13598 
1 1 1    2   17   21 o  302.144   11.572  1637.56  123.126  1478.09  174.062  1797.27  174.191  287.202   17.147  317.087   15.543 -29.88550 23.14317 
1 1 1    2   17   23 o  532.545   20.234  5222.04  380.843  5186.77  538.559  5257.33  538.626  530.672   28.714  534.417   28.516 -3.745911 40.46758 
1 1 1    2   17   25 f  201.346   11.134  729.881   78.603  834.171  111.108  625.394  111.213  216.016   14.553  186.676   16.856 29.33969 22.26869 
1 1 1    2   17   27 o  102.043   13.581  219.409   43.515  123.009   74.695  268.935   53.539   81.303   24.198  122.783   12.337 -41.47969 27.16149 
1 1 1    2   17   29 o  252.428   13.981  1160.38  117.315  1146.11  202.898  1167.54  143.786  250.088   22.954  254.767   15.968 -4.679382 27.96220 
1 1 1    2   17   31 o  191.373   13.552  671.301   86.211  653.923  148.490  680.137  105.884  188.488   22.289  194.258   15.422 -5.770035 27.10414 
1 1 1    2   17   33 o  184.638   15.596  634.047  101.328  567.741  143.093  700.738  143.507  174.461   23.206  194.815   20.842 -20.35339 31.19110 
1 1 1    2   17   35 o   32.535   12.983   10.062   22.504   0.0000   0.0000   10.062   22.504  ?   ?    32.535   12.983      ?      ? 
1 1 1    2   18    0 o  447.845   13.068  3573.86  206.764  3687.56  292.398  3460.14  292.419  455.030   18.181  440.661   18.775 14.36801 26.13515 
1 1 1    2   18    2 o  395.282   15.502  2820.05  202.987  2872.73  248.576  2714.61  351.672  401.698   17.508  388.866   25.587 12.83151 31.00358 
1 1 1    2   18    4 o  198.791   15.429  706.812  108.404  707.957  153.227  705.665  153.386  198.955   21.790  198.627   21.849 0.3286285 30.85742 
1 1 1    2   18    6 o  270.667   16.251  1314.62  155.244  1393.87  219.488  1235.28  219.609  278.957   22.261  262.377   23.681 16.57956 32.50192 
1 1 1    2   18    8 o  355.889   14.932  2277.97  176.569  2238.60  305.758  2297.67  216.277  352.755   24.524  359.022   17.044 -6.266876 29.86467 
1 1 1    2   18   10 o  167.427   13.235  502.519   73.689  496.601  127.608  505.479   90.258  166.360   21.703  168.495   15.156 -2.134842 26.47075 
1 1 1    2   18   12 o  477.883   13.353  4087.41  225.502  4002.77  318.885  4172.07  318.931  472.872   19.080  482.894   18.686 -10.02255 26.70606 
1 1 1    2   18   14 o  366.617   12.222  2403.37  158.339  2462.52  223.900  2344.20  223.950  371.183   17.067  362.052   17.501 9.131775 24.44481 
1 1 1    2   18   16 o  179.748   10.791  576.704   68.551  585.082   96.921  568.318   96.970  181.068   15.144  178.429   15.376 2.639542 21.58206 
1 1 1    2   18   18 o   96.712   10.478  167.043   35.792  159.670   50.577  174.439   50.657   94.553   15.134   98.872   14.496 -4.319077 20.95658 
1 1 1    2   18   20 o  277.288   11.349  1381.73  110.503  1202.29  156.209  1561.48  156.341  258.965   17.066  295.611   14.963 -36.64633 22.69733 
1 1 1    2   18   22 o  290.538   11.440  1517.65  116.805  1333.11  165.105  1702.56  165.270  272.551   17.139  308.525   15.156 -35.97388 22.87922 
1 1 1    2   18   24 o   99.663   16.451  189.322   57.574  235.549   80.856  141.776   82.001  112.321   21.143   87.005   25.208 25.31547 32.90118 
1 1 1    2   18   26 o  202.952   14.219  803.051   91.500  602.822  158.038  904.015  112.223  181.170   24.681  224.733   14.128 -43.56274 28.43841 
1 1 1    2   18   28 o  113.859   14.085  256.193   50.527  195.568   86.628  287.452   62.204  101.071   24.504  126.646   13.897 -25.57436 28.17025 
1 1 1    2   18   30 o  102.333   15.799  189.103   57.144   0.0000   0.0000  189.103   57.144  ?   ?   102.333   15.799      ?      ? 
1 1 1    2   18   32 o  235.669   23.170  1038.53  192.992   0.0000   0.0000  1038.53  192.992  ?   ?   235.669   23.170      ?      ? 
1 1 1    2   18   36 o   92.260   22.666  171.792   73.379  171.792   73.379   0.0000   0.0000   92.260   22.666  ?   ?       ?      ? 
1 1 1    2   19    1 o  369.139   12.293  2434.01  160.097  2600.83  226.406  2267.18  226.416  381.926   16.772  356.352   17.977 25.57358 24.58581 
1 1 1    2   19    3 f  527.286   13.977  4975.98  260.468  5043.65  368.336  4908.30  368.379  530.918   19.629  523.654   19.904 7.263794 27.95433 
1 1 1    2   19    5 o  501.796   16.738  4498.52  280.705  4642.96  486.146  4426.27  343.810  506.318   27.166  497.273   19.562 9.045441 33.47592 
1 1 1    2   19    7 o  140.516   15.072  393.117   64.543  449.738   79.047  279.863  111.796  158.972   14.068  122.059   26.660 36.91323 30.14459 
1 1 1    2   19    9 o  321.191   16.747  1861.52  190.107  1840.99  268.769  1882.07  268.936  319.384   23.809  322.998   23.557 -3.614441 33.49382 
1 1 1    2   19   11 o  323.195   16.926  1890.71  192.979  2021.39  272.875  1759.95  272.953  334.639   23.071  311.750   24.772 22.88898 33.85147 
1 1 1    2   19   13 o  409.223   15.878  3087.14  213.702  2841.50  370.057  3210.04  261.760  395.037   26.504  423.409   17.491 -28.37131 31.75541 
1 1 1    2   19   15 o  450.403   13.115  3641.90  208.777  3636.51  295.223  3647.28  295.289  450.066   18.559  450.741   18.535 -0.6752319 26.22964 
1 1 1    2   19   17 o  333.186   11.894  1989.29  140.038  1941.21  198.001  2037.42  198.086  329.103   17.022  337.270   16.617 -8.167358 23.78832 
1 1 1    2   19   19 o  253.609   14.391  1193.07  119.501  1254.25  146.317  1070.51  207.097  264.737   15.637  242.482   24.164 22.25494 28.78268 
1 1 1    2   19   21 o  118.663   10.652  253.014   44.375  286.186   62.734  219.798   62.776  126.578   14.023  110.748   16.038 15.82983 21.30345 
1 1 1    2   19   23 o  177.534   10.881  565.693   68.163  601.683   96.309  529.572   96.484  183.282   14.867  171.785   15.891 11.49681 21.76135 
1 1 1    2   19   25 o  290.833   16.426  1522.09  168.852   0.0000   0.0000  1522.09  168.852  ?   ?   290.833   16.426      ?      ? 
1 1 1    2   19   27 o  117.779   23.023  263.030   92.405   0.0000   0.0000  263.030   92.405  ?   ?   117.779   23.023      ?      ? 
1 1 1    2   19   31 o  140.460   14.616  375.341   67.418  244.637   93.074  519.615   97.786  112.045   24.210  168.875   16.383 -56.83073 29.23186 
1 1 1    2   19   33 o  204.713   14.069  823.945   92.961  674.814  159.269  901.001  114.485  187.236   24.067  222.189   14.578 -34.95311 28.13794 
1 1 1    2   19   35 o  199.368   16.250  781.505  114.478  761.574  161.468  801.649  162.327  196.584   23.239  202.152   22.719 -5.568069 32.49945 
1 1 1    2   20    0 o  202.682   10.922  732.791   78.210  757.372  110.599  708.203  110.612  206.114   15.182  199.250   15.707 6.863953 21.84455 
1 1 1    2   20    2 o  319.408   11.727  1822.45  132.352  1770.00  187.139  1874.93  187.208  314.761   16.821  324.054   16.345 -9.293152 23.45465 
1 1 1    2   20    4 o  386.951   15.198  2675.42  196.496  2753.21  340.279  2636.50  240.679  390.033   24.684  383.868   17.739 6.164917 30.39696 
1 1 1    2   20    6 o  116.619   10.595  243.350   43.452  271.126   61.434  215.542   61.468  123.362   14.090  109.876   15.828 13.48607 21.19073 
1 1 1    2   20    8 o  133.207   10.520  316.582   49.521  323.725   70.029  309.438   70.037  134.724   14.707  131.689   15.047 3.034866 21.04042 
1 1 1    2   20   10 o  157.766   10.812  447.837   59.573  526.474   84.267  369.265   84.232  171.863   13.872  143.670   16.588 28.19243 21.62418 
1 1 1    2   20   12 o  248.851   13.312  1085.49  111.521  1027.62  136.554  1201.37  193.245  239.682   16.119  258.021   21.190 -18.33958 26.62435 
1 1 1    2   20   14 o  251.253   13.250  1101.97  112.266  1030.92  137.459  1244.31  194.558  239.981   16.206  262.524   20.968 -22.54259 26.50088 
1 1 1    2   20   16 o  422.829   18.431  3273.13  275.020  3474.96  388.898  3071.23  388.975  436.338   25.217  409.319   26.887 27.01837 36.86182 
1 1 1    2   20   18 o  296.419   14.128  1566.24  140.288  1649.48  242.909  1524.58  171.843  301.304   22.810  291.534   16.677 9.770599 28.25615 
1 1 1    2   20   20 o  236.183   13.646  997.822  107.825  1037.18  186.603  978.094  132.113  238.858   22.103  233.508   16.007 5.349762 27.29101 
1 1 1    2   20   22 f  248.721   16.021  1132.37  140.216  1012.99  198.164  1252.06  198.427  235.130   23.845  262.313   21.402 -27.18361 32.04130 
1 1 1    2   20   24 o  151.743   15.556  421.528   83.323  443.389  117.423  399.357  118.253  155.866   21.315  147.619   22.665 8.247208 31.11279 
1 1 1    2   20   26 o  203.921   12.205  706.846   84.318  601.224  102.876  923.012  147.173  182.510   15.948  225.332   18.479 -42.82188 24.40949 
1 1 1    2   20   28 o  116.017   13.928  267.065   50.773  207.257   86.968  297.991   62.538  103.390   24.223  128.643   13.754 -25.25274 27.85555 
1 1 1    2   20   30 o  185.892   15.829  649.188  103.986  658.010  146.839  640.314  147.280  187.257   22.186  184.528   22.582 2.728363 31.65709 
1 1 1    2   20   32 o   62.813   11.965   79.050   27.976   48.588   45.327   97.793   35.555   53.683   19.049   71.943   14.484 -18.26030 23.93030 
1 1 1    2   20   34 o  211.100   16.569  886.369  123.609  901.321  174.649  871.362  174.969  213.132   23.185  209.069   23.678 4.063644 33.13892 
1 1 1    2   21    1 o   71.413   10.894   94.537   26.691   96.672   37.703   92.392   37.791   72.255   15.243   70.572   15.569 1.683052 21.78819 
1 1 1    2   21    3 o  110.756   10.499  218.980   41.091  224.452   58.080  213.496   58.142  112.156   14.652  109.356   15.043 2.799889 20.99891 
1 1 1    2   21    5 o  108.568   13.461  217.326   47.201  220.946   57.779  210.063   81.839  111.263   14.693  105.874   22.560 5.388649 26.92294 
1 1 1    2   21    7 o  138.933   10.607  345.827   51.820  305.877   73.234  385.888   73.336  130.787   15.843  147.079   14.107 -16.29185 21.21340 
1 1 1    2   21    9 o  336.055   11.971  2024.15  142.127  2087.99  200.982  1960.30  201.015  341.431   16.655  330.680   17.199 10.75146 23.94111 
1 1 1    2   21   11 o  151.325   10.681  409.710   57.045  434.360   80.655  385.037   80.692  155.936   14.634  146.714   15.561 9.222717 21.36118 
1 1 1    2   21   13 o   43.817   9.2903   33.935   15.903   23.498   22.283   44.769   22.702   38.408   13.378   49.226   12.894 -10.81729 18.58068 
1 1 1    2   21   15 o  198.219   13.297  700.066   88.266  731.626  152.686  684.226  108.172  200.966   21.496  195.473   15.657 5.493561 26.59362 
1 1 1    2   21   17 o  300.795   23.537  1650.41  250.228  1650.41  250.228   0.0000   0.0000  300.795   23.537  ?   ?       ?      ? 
1 1 1    2   21   21 o  144.526   21.596  381.100  110.315  381.100  110.315   0.0000   0.0000  144.526   21.596  ?   ?       ?      ? 
1 1 1    2   21   23 o   69.728   13.042   85.395   31.527  115.324   54.045   69.957   38.816   78.120   19.605   61.336   17.206 16.78384 26.08456 
1 1 1    2   21   25 f  182.507   15.483  614.683   99.747  578.095  140.544  651.816  141.589  176.823   22.488  188.192   21.287 -11.36945 30.96518 
1 1 1    2   21   27 o  156.643   10.624  444.954   58.624  401.515   82.460  489.346   83.360  148.732   15.686  164.554   14.333 -15.82224 21.24816 
1 1 1    2   21   29 o  225.252   13.945  955.651  103.899  913.188  179.149  977.171  127.538  219.265   23.117  231.239   15.605 -11.97388 27.89063 
1 1 1    2   21   31 o  124.466   14.281  302.807   57.264  283.394   97.552  313.013   70.733  118.704   24.075  130.229   15.367 -11.52403 28.56134 
1 1 1    2   21   33 o   98.997   16.133  202.247   55.637  166.760   78.447  238.162   78.919   89.220   24.244  108.774   21.290 -19.55397 32.26534 
1 1 1    2   22    0 o   78.402   11.015  112.787   29.879  133.385   42.255   92.189   42.256   86.469   13.826   70.335   17.152 16.13397 22.03081 
1 1 1    2   22    2 o  117.220   10.546  245.958   43.566  224.579   61.588  267.369   61.634  112.057   15.550  122.384   14.249 -10.32709 21.09112 
1 1 1    2   22    4 o  179.520   14.270  617.012   82.023  681.583  100.464  487.925  142.048  195.348   14.551  163.693   24.552 31.65500 28.53969 
1 1 1    2   22    6 o  191.621   10.964  657.937   74.073  709.933  104.718  605.867  104.793  199.305   14.866  183.938   16.119 15.36717 21.92751 
1 1 1    2   22    8 o  365.975   12.171  2403.99  157.398  2460.85  222.588  2347.12  222.600  370.371   17.004  361.578   17.418 8.792542 24.34175 
1 1 1    2   22   10 o  267.474   14.451  1341.31  125.787  1157.98  217.777  1433.09  154.090  251.973   24.453  282.974   15.407 -31.00124 28.90212 
1 1 1    2   22   12 o  262.576   16.188  1254.83  150.041  1327.13  212.209  1182.55  212.170  270.365   22.207  254.787   23.561 15.57829 32.37688 
1 1 1    2   22   14 o  396.933   17.999  2895.15  252.084  3084.13  356.528  2706.22  356.473  410.401   24.579  383.466   26.301 26.93494 35.99858 
1 1 1    2   22   16 o  231.736   13.754  973.426  105.984  976.512  129.816  967.256  183.533  233.229   15.748  230.243   22.553 2.986176 27.50723 
1 1 1    2   22   18 o  113.133   10.614  229.910   42.397  240.533   59.717  219.114   60.203  115.819   14.588  110.448   15.422 5.370811 21.22847 
1 1 1    2   22   20 o  345.260   12.023  2155.91  146.372  1988.13  206.909  2323.99  207.095  331.502   17.659  359.017   16.320 -27.51556 24.04596 
1 1 1    2   22   22 o  256.393   14.619  1238.18  122.504  1302.23  149.974  1109.76  212.362  268.551   15.800  244.236   24.601 24.31468 29.23776 
1 1 1    2   22   24 o   63.785   12.268   81.747   29.251  101.470   35.831   42.343   50.646   73.831   14.247   53.738   19.977 20.09273 24.53658 
1 1 1    2   22   26 o  147.197   21.979  405.832  114.346   0.0000   0.0000  405.832  114.346  ?   ?   147.197   21.979      ?      ? 
1 1 1    2   22   28 o   6.8210   2.4231 -10.2240   2.4905  -8.9006   3.1512 -12.4265   4.0652   6.4905   3.2493   7.1516   3.5955 -0.6610599 4.846195 
1 1 1    2   22   30 o  122.320   14.147  288.375   56.458  294.973   96.307  284.921   69.689  120.935   23.377  123.705   15.939 -2.770111 28.29370 
1 1 1    2   23    1 o  205.944   10.634  761.817   76.871  659.345  108.581  864.785  108.843  191.835   16.014  220.053   13.994 -28.21790 21.26727 
1 1 1    2   23    3 o   98.668   15.418  183.419   52.491  154.164   73.912  213.188   74.560   90.397   23.060  106.938   20.472 -16.54128 30.83601 
1 1 1    2   23    5 o   33.074   8.5874   14.886   13.877  -3.4751   23.992   24.117   17.011   29.109   12.618   37.039   11.651 -7.929764 17.17470 
1 1 1    2   23    7 o   90.877   15.444  155.730   49.058  143.113   69.348  168.369   69.410   87.137   22.395   94.617   21.272 -7.480789 30.88776 
1 1 1    2   23    9 o  122.587   15.596  277.824   66.046  297.877   93.400  257.768   93.407  128.216   20.610  116.958   23.413 11.25769 31.19186 
1 1 1    2   23   11 o  123.408   13.604  279.658   54.233  280.371   66.386  278.227   94.033  125.079   15.017  121.738   22.689 3.341164 27.20834 
1 1 1    2   23   13 o  130.477   10.665  305.408   49.177  310.256   69.392  300.516   69.701  131.538   14.926  129.417   15.238 2.120758 21.33021 
1 1 1    2   23   15 o  129.999   10.649  303.470   48.920  308.922   69.008  297.963   69.361  131.197   14.882  128.802   15.236 2.395798 21.29799 
1 1 1    2   23   17 o  109.690   11.018  217.766   42.394  246.398   59.686  188.615   60.226  117.151   14.415  102.229   16.668 14.92235 22.03662 
1 1 1    2   23   19 o  198.368   10.944  709.745   76.726  703.388  108.355  716.138  108.661  197.464   15.525  199.271   15.428 -1.806961 21.88732 
1 1 1    2   23   21 o  210.806   11.119  804.512   82.834  816.622  116.965  792.327  117.327  212.445   15.577  209.168   15.870 3.276474 22.23767 
1 1 1    2   23   23 o   58.052   11.043   63.498   23.218   69.138   32.116   57.322   33.606   60.587   15.062   55.517   16.153 5.070095 22.08568 
1 1 1    2   23   25 o  133.984   14.070  340.376   60.376  343.038   73.606  334.901  105.556  137.066   15.194  130.902   23.687 6.163940 28.14078 
1 1 1    2   23   27 o  144.809   14.972  422.593   67.566  455.829   82.713  355.938  117.135  157.396   14.868  132.222   25.991 25.17409 29.94365 
1 1 1    2   23   29 o   93.389   15.938  179.105   52.491  144.886   74.054  213.658   74.415   83.613   23.875  103.166   21.119 -19.55292 31.87566 
1 1 1    2   24    0 o  313.677   23.796  1799.73  263.817   0.0000   0.0000  1799.73  263.817  ?   ?   313.677   23.796      ?      ? 
1 1 1    2   24    4 o   87.623   15.673  145.551   49.169  176.448   69.191  114.031   69.885   96.848   20.832   78.399   23.422 18.44861 31.34597 
1 1 1    2   24    6 o  163.293   13.428  488.202   72.473  500.099   88.772  464.428  125.492  167.007   15.039  159.580   22.249 7.426285 26.85540 
1 1 1    2   24    8 f  173.223   10.928  539.911   66.675  590.278   94.259  489.471   94.327  181.457   14.697  164.990   16.175 16.46700 21.85515 
1 1 1    2   24   10 o  107.810   10.289  208.461   39.188  200.132   55.227  216.907   55.614  105.615   14.795  110.006   14.304 -4.391373 20.57865 
1 1 1    2   24   12 o   90.165   10.913  148.325   34.066  151.995   48.074  144.623   48.280   92.001   14.784   88.328   16.057 3.672974 21.82620 
1 1 1    2   24   14 o  353.071   12.195  2256.34  152.096  2340.28  215.044  2172.32  215.149  359.803   16.910  346.340   17.576 13.46362 24.38970 
1 1 1    2   24   16 o  227.012   11.158  931.000   89.488  961.718  126.501  900.230  126.608  230.845   15.504  223.178   16.051 7.667572 22.31603 
1 1 1    2   24   18 o  196.433   10.921  697.987   75.822  695.970  107.071  700.015  107.386  196.148   15.444  196.717   15.445 -0.5688629 21.84194 
1 1 1    2   24   20 o  109.911   10.812  219.188   42.001  218.344   59.145  220.047   59.655  109.704   15.254  110.118   15.327 -0.4132614 21.62415 
1 1 1    2   24   22 o  241.160   11.557  1068.92   97.987  1189.23  138.426  948.089  138.725  255.315   15.340  227.005   17.290 28.31007 23.11403 
1 1 1    2   24   24 o   64.688   12.450   75.383   27.903   64.014   33.952   99.042   48.977   57.989   16.030   71.388   19.055 -13.39881 24.90092 
1 1 1    2   24   26 o   60.206   14.150   67.993   35.586   79.856   48.638   54.328   52.201   64.098   19.626   56.314   20.388 7.783817 28.29979 
1 1 1    2   24   28 o   54.175   9.7685   55.383   19.772   30.610   27.236   82.986   28.750   42.257   14.786   66.094   12.769 -23.83658 19.53691 
1 1 1    2   25    1 o  148.972   15.692  414.989   79.042  326.120  111.422  505.016  112.146  131.033   24.970  166.911   19.010 -35.87872 31.38305 
1 1 1    2   25    3 o   74.949   14.433  104.758   39.685   83.305   55.049  127.971   57.262   67.566   20.912   82.332   19.899 -14.76550 28.86636 
1 1 1    2   25    5 o  216.773   13.506  836.553   98.422  905.910  170.158  801.682  120.653  222.592   21.628  210.955   16.182 11.63705 27.01181 
1 1 1    2   25    7 o  163.915   10.737  484.580   61.903  429.877   87.439  539.548   87.650  154.453   16.017  173.376   14.304 -18.92317 21.47434 
1 1 1    2   25    9 o  150.320   10.764  407.036   57.150  423.607   80.766  390.420   80.878  153.445   14.892  147.195   15.546 6.250290 21.52792 
1 1 1    2   25   11 o  287.356   11.546  1492.98  117.265  1489.72  165.791  1496.25  165.886  287.037   16.342  287.676   16.315 -0.6386108 23.09188 
1 1 1    2   25   13 o  313.470   11.780  1785.02  130.094  1623.17  183.850  1947.33  184.113  298.847   17.406  328.094   15.877 -29.24667 23.55925 
1 1 1    2   25   15 o  108.002   10.616  210.966   40.510  203.892   57.098  218.136   57.485  106.145   15.220  109.859   14.805 -3.714417 21.23232 
1 1 1    2   25   17 o  139.116   10.704  352.841   52.185  300.555   73.616  405.659   73.988  128.438   16.217  149.795   13.975 -21.35713 21.40725 
1 1 1    2   25   19 o  157.241   10.946  453.626   60.311  386.875   85.219  520.609   85.368  145.214   16.604  169.269   14.269 -24.05444 21.89277 
1 1 1    2   25   21 o  127.980   10.671  302.220   47.672  247.841   67.006  357.959   67.839  115.837   16.366  140.122   13.698 -24.28505 21.34200 
1 1 1    2   25   23 o  111.555   11.296  232.877   44.177  262.410   62.024  202.467   62.938  119.199   14.722  103.911   17.137 15.28845 22.59222 
1 1 1    2   25   25 o  126.453   10.998  299.976   49.145  304.755   69.228  295.120   69.777  127.562   15.355  125.345   15.750 2.217224 21.99630 
1 1 1    2   26    0 f  258.070   11.351  1204.06  103.420  1267.29  146.228  1140.79  146.288  265.006   15.612  251.135   16.481 13.87181 22.70135 
1 1 1    2   26    2 o   72.290   11.454   98.343   28.618  112.391   40.378   84.164   40.566   77.682   15.251   66.899   17.093 10.78259 22.90786 
1 1 1    2   26    4 o  212.331   13.768  829.299   96.789  840.447  118.459  806.909  167.879  215.759   15.534  208.902   22.737 6.856918 27.53669 
1 1 1    2   26    6 o  235.967   16.237  1033.84  135.014  1120.98  190.888  946.597  190.989  246.425   21.917  225.510   23.962 20.91515 32.47329 
1 1 1    2   26    8 o   88.728   15.416  151.833   49.701  208.394   70.213   95.032   70.362  105.105   19.622   72.351   23.782 32.75463 30.83189 
1 1 1    2   26   10 o  170.926   13.848  555.840   77.075  483.183  133.161  592.445   94.516  160.808   23.429  181.045   14.771 -20.23753 27.69627 
1 1 1    2   26   12 o   23.742   5.4401   1.3172   7.4809   21.088   10.220 -21.5027   10.980   33.757   8.5551   13.727   6.7222 20.02958 10.88015 
1 1 1    2   26   14 o  162.290   10.924  479.867   62.615  498.846   88.398  460.756   88.706  165.618   15.101  158.961   15.789 6.657562 21.84775 
1 1 1    2   26   16 o  251.714   11.445  1163.60  101.704  1226.79  143.842  1100.43  143.820  258.815   15.724  244.614   16.635 14.20184 22.89052 
1 1 1    2   26   18 o   59.614   10.323   67.421   22.454   39.990   31.396   96.141   32.126   47.585   15.897   71.642   13.173 -24.05736 20.64541 
1 1 1    2   26   20 o   20.195   6.0187   0.8464   7.3600   4.4840   9.0644  -6.1926   12.609   21.003   8.2845   19.386   8.7330 1.616982 12.03736 
1 1 1    2   26   22 o   30.186   7.5437   9.8476   11.138  -3.6415   14.913   26.867   16.751   22.232   9.7857   38.140   11.484 -15.90824 15.08748 
1 1 1    2   27    1 o  127.161   12.041  267.907   49.987  184.466   61.015  438.225   87.172   98.995   18.105  155.327   15.878 -56.33118 24.08169 
1 1 1    2   27    3 o   58.746   11.361   55.285   24.297  100.988   42.038   32.358   29.774   73.079   16.647   44.414   15.464 28.66524 22.72169 
1 1 1    2   27    5 o  141.921   10.846  368.060   53.792  430.689   76.189  305.809   75.959  154.363   13.965  129.479   16.598 24.88422 21.69111 
1 1 1    2   27    7 o  149.872   10.893  408.962   57.620  432.870   81.383  384.930   81.591  154.403   14.913  145.342   15.883 9.061310 21.78671 
1 1 1    2   27    9 o   93.424   13.185  155.248   40.383  209.262   70.199  128.532   49.370  104.666   19.699   82.182   17.531 22.48365 26.37033 
1 1 1    2   27   11 f  141.755   12.434  348.443   59.829  294.285   73.185  457.566  103.883  126.586   16.357  156.925   18.730 -30.33950 24.86706 
1 1 1    2   27   13 f   75.108   14.786  109.957   41.110   89.971   57.747  130.494   58.537   68.573   21.450   81.644   20.356 -13.07161 29.57165 
1 1 1    2   27   15 f  165.155   16.111  530.500   93.789  570.410  132.467  490.386  132.808  172.031   21.786  158.280   23.740 13.75087 32.22146 
1 1 1    2   27   17 o   97.877   14.187  196.307   45.214  160.846   78.429  213.958   55.334   88.209   24.355  107.545   14.557 -19.33586 28.37393 
1 1 1    2   27   19 o   52.701   10.829   53.232   21.529   61.189   30.326   45.146   30.569   56.249   14.985   49.153   15.637 7.095371 21.65733 
1 1 1    2   28    0 o   99.435   15.723  193.984   54.025  165.663   75.498  223.704   77.340   91.469   23.291  107.402   21.126 -15.93301 31.44507 
1 1 1    2   28    2 o   96.032   10.700  168.700   36.293  161.292   51.163  176.203   51.491   93.846   15.425   98.218   14.833 -4.371490 21.39944 
1 1 1    2   28    4 o  193.930   13.457  695.222   87.128  679.889  106.646  725.999  151.091  192.437   15.680  195.423   21.875 -2.986664 26.91390 
1 1 1    2   28    6 o   47.750   10.197   41.464   19.404   56.709   27.139   25.518   27.755   54.730   13.979   40.771   14.850 13.95873 20.39495 
1 1 1    2   28    8 o  132.097   10.844  321.922   50.484  294.521   71.310  349.455   71.481  126.221   15.985  137.974   14.658 -11.75246 21.68786 
1 1 1    2   28   10 o  136.967   10.864  347.353   52.489  370.996   74.179  323.645   74.282  141.862   14.794  132.072   15.913 9.790207 21.72780 
1 1 1    2   28   12 o   88.281   11.176  148.062   33.848  125.023   47.750  171.331   47.987   80.163   17.356   96.399   14.084 -16.23640 22.35150 
1 1 1    2   28   14 o   49.157   11.167   45.994   22.641   24.492   38.604   57.269   27.954   43.728   17.144   54.587   14.313 -10.85860 22.33375 
1 1 1    2   29    1 o   59.147   10.997   67.229   23.904   87.607   33.874   47.017   33.736   67.691   14.588   50.604   16.459 17.08640 21.99399 
1 1 1    2   29    3 o  253.760   11.634  1206.34  104.256  1261.10  147.403  1151.52  147.478  259.873   16.048  247.647   16.849 12.22603 23.26867 
1 1 1    2   29    5 o  136.799   14.784  375.790   63.857  393.363   78.126  340.421  110.837  145.402   15.202  128.196   25.360 17.20558 29.56747 
1 1 1    2   29    7 o   96.230   10.831  172.915   36.829  168.643   52.017  177.209   52.151   94.978   15.495   97.482   15.136 -2.504570 21.66128 
1 1 1    2   29    9 o   83.171   13.939  140.626   38.744  131.151   67.472  145.288   47.324   79.629   22.807   86.713   16.032 -7.083519 27.87781 
1 1 1    3    0    1 o  934.327   19.363 15489.63  902.512 15489.63  902.512 15489.63  902.512  934.327   27.383  934.327   27.383 -0.000000 0.000000 
1 1 1    3    0    3 o  1002.40   29.189 17911.42  1456.85 17911.42  1456.85 17911.42  1456.85  1002.40   41.279  1002.40   41.279 -0.000000 0.000000 
1 1 1    3    0    5 o  160.143   11.005  466.194   86.181  466.194   86.181  466.194   86.181  160.143   15.563  160.143   15.563 -0.000000 0.000000 
1 1 1    3    0    7 o   32.853   11.025   27.986   20.597   27.986   20.597   27.986   20.597   32.853   15.591   32.853   15.591 -0.000000 0.000000 
1 1 1    3    0    9 o  664.362   22.303  7892.81  736.835  7892.81  736.835  7892.81  736.835  664.362   31.541  664.362   31.541 -0.000000 0.000000 
1 1 1    3    0   11 o  653.057   15.515  7582.45  505.168  7582.45  505.168  7582.45  505.168  653.057   21.942  653.057   21.942 -0.000000 0.000000 
1 1 1    3    0   13 o   45.741   12.715   50.862   27.884   50.862   27.884   50.862   27.884   45.741   17.982   45.741   17.982 -0.000000 0.000000 
1 1 1    3    0   17 o  1131.37   32.093 22858.87  1808.24 22858.87  1808.24 22858.87  1808.24  1131.37   45.386  1131.37   45.386 -0.000000 0.000000 
1 1 1    3    0   19 o  620.734   14.504  6839.96  448.903  6839.96  448.903  6839.96  448.903  620.734   20.512  620.734   20.512 -0.000000 0.000000 
1 1 1    3    0   21 o   82.866   7.7141  127.563   30.414  127.563   30.414  127.563   30.414   82.866   10.909   82.866   10.909 -0.000000 0.000000 
1 1 1    3    0   23 o  100.920   15.246  203.023   67.561  203.023   67.561  203.023   67.561  100.920   21.561  100.920   21.561 -0.000000 0.000000 
1 1 1    3    0   25 o   42.281   13.976   46.288   32.973   46.288   32.973   46.288   32.973   42.281   19.765   42.281   19.765 -0.000000 0.000000 
1 1 1    3    0   27 o  603.898   15.096  6495.34  454.384  6495.34  454.384  6495.34  454.384  603.898   21.349  603.898   21.349 -0.000000 0.000000 
1 1 1    3    0   29 o  692.661   23.013  8659.34  792.763  8659.34  792.763  8659.34  792.763  692.661   32.546  692.661   32.546 -0.000000 0.000000 
1 1 1    3    0   31 o  496.613   14.548  4414.17  359.705  4414.17  359.705  4414.17  359.705  496.613   20.573  496.613   20.573 -0.000000 0.000000 
1 1 1    3    0   33 o   85.552   20.429  168.896   78.144  168.896   78.144  168.896   78.144   85.552   28.891   85.552   28.891 -0.000000 0.000000 
1 1 1    3    0   35 o  125.507   14.642  302.671   84.339  302.671   84.339  302.671   84.339  125.507   20.707  125.507   20.707 -0.000000 0.000000 
1 1 1    3    0   37 o   75.534   18.692  133.646   63.908  133.646   63.908  133.646   63.908   75.534   26.435   75.534   26.435 -0.000000 0.000000 
1 1 1    3    0   39 o  232.327   16.988  1001.75  192.447  1001.75  192.447  1001.75  192.447  232.327   24.025  232.327   24.025 -0.000000 0.000000 
1 1 1    3    0   41 o  397.102   18.434  2900.79  362.274  2900.79  362.274  2900.79  362.274  397.102   26.069  397.102   26.069 -0.000000 0.000000 
1 1 1    3    1    0 o  292.379   11.184  1512.31  115.560  1486.79  163.423  1537.83  163.430  289.910   15.949  294.849   15.682 -4.938843 22.36748 
1 1 1    3    1    2 o  443.882   12.931  3486.81  202.866  3487.47  286.895  3486.15  286.896  443.924   18.285  443.840   18.288 0.8389282E-01 25.86132 
1 1 1    3    1    4 o   92.151   12.845  155.801   38.633  145.746   66.897  160.833   47.321   88.947   21.514   95.355   14.041 -6.407921 25.69037 
1 1 1    3    1    6 o  301.505   16.353  1611.58  174.265  1624.73  246.424  1598.43  246.473  302.739   23.030  300.270   23.224 2.468475 32.70679 
1 1 1    3    1    8 o  375.241   12.275  2495.58  162.750  2424.04  230.162  2567.13  230.165  369.846   17.607  380.635   17.108 -10.78909 24.55023 
1 1 1    3    1   10 o  554.316   20.124  5485.35  393.775  5801.68  556.901  5169.06  556.863  570.460   27.621  538.171   29.276 32.28979 40.24879 
1 1 1    3    1   12 o  389.542   17.626  2706.07  241.510  3010.14  341.546  2402.00  341.549  411.627   23.476  367.457   26.298 44.16995 35.25220 
1 1 1    3    1   14 o  222.163   15.898  877.349  124.389  962.230  175.842  792.331  175.984  232.982   21.354  211.344   23.559 21.63770 31.79677 
1 1 1    3    1   16 o  1248.86   49.130 27945.37  2168.63   0.0000   0.0000 27945.37  2168.63  ?   ?   1248.86   49.130      ?      ? 
1 1 1    3    1   18 o  544.933   14.136  5259.71  272.259  5225.34  384.995  5294.09  385.071  543.148   20.055  546.718   19.928 -3.569153 28.27198 
1 1 1    3    1   20 o  914.807   19.001 14857.94  614.360 14730.90  868.795 14985.00  868.878  910.877   26.986  918.736   26.758 -7.858154 38.00279 
1 1 1    3    1   22 o  601.566   18.180  6322.48  367.217  6763.60  635.866  6101.74  449.807  616.606   29.177  586.525   21.698 30.08154 36.36054 
1 1 1    3    1   24 o  449.359   13.943  3508.45  210.581  3354.46  257.737  3817.67  365.223  435.072   16.761  463.645   22.287 -28.57324 27.88616 
1 1 1    3    1   26 o  554.621   13.773  5465.85  269.992  5498.00  381.774  5433.67  381.880  556.262   19.418  552.980   19.539 3.282532 27.54679 
1 1 1    3    1   28 o  201.123   13.399  707.754   90.639  762.858  156.593  679.991  111.151  206.672   21.437  195.574   16.080 11.09755 26.79771 
1 1 1    3    1   30 o  304.286   23.357  1665.46  251.195  1665.46  251.195   0.0000   0.0000  304.286   23.357  ?   ?       ?      ? 
1 1 1    3    1   32 o  244.402   15.920  1077.95  137.413  1029.17  194.335  1126.73  194.327  238.754   23.029  250.049   21.988 -11.29446 31.84062 
1 1 1    3    1   34 o  158.337   13.845  439.877   74.060  414.664   90.999  489.341  127.456  152.145   16.922  164.528   21.918 -12.38361 27.69038 
1 1 1    3    1   36 f  198.173   16.379  703.919  114.723  703.919  114.723   0.0000   0.0000  198.173   16.379  ?   ?       ?      ? 
1 1 1    3    1   38 o   83.611   12.798  106.057   36.758   59.652   43.952  214.046   67.048   58.189   18.775  109.033   17.398 -50.84422 25.59692 
1 1 1    3    1   40 o  120.591   16.688  262.318   71.126  262.318   71.126   0.0000   0.0000  120.591   16.688  ?   ?       ?      ? 
1 1 1    3    1   42 o  164.187   22.469  499.630  130.389  499.630  130.389   0.0000   0.0000  164.187   22.469  ?   ?       ?      ? 
1 1 1    3    2    1 o  521.679   19.601  4817.31  361.419   0.0000   0.0000  4817.31  361.419  ?   ?   521.679   19.601      ?      ? 
1 1 1    3    2    3 o  676.619   15.946  8110.45  381.271  8288.95  539.206  7931.95  539.190  684.083   22.301  669.154   22.798 14.92804 31.89177 
1 1 1    3    2    5 o  396.603   12.552  2785.85  175.835  2667.07  248.664  2904.64  248.674  388.129   18.127  405.077   17.369 -16.94733 25.10484 
1 1 1    3    2    7 o  513.711   13.708  4678.02  248.859  4762.14  351.943  4593.89  351.937  518.344   19.210  509.077   19.560 9.266479 27.41559 
1 1 1    3    2    9 o  445.662   12.713  3522.75  200.246  3480.07  283.175  3565.45  283.206  442.952   18.088  448.372   17.871 -5.420105 25.42683 
1 1 1    3    2   11 o   81.110   13.059  128.466   36.006   85.912   62.270  149.840   44.132   70.228   22.315   91.991   13.573 -21.76344 26.11873 
1 1 1    3    2   13 o  366.009   12.149  2372.81  157.154  2337.78  222.210  2407.87  222.290  363.300   17.305  368.717   17.057 -5.417877 24.29851 
1 1 1    3    2   15 o  842.625   22.252 12642.54  623.997 12685.01  764.161 12557.57  1081.01  845.588   25.569  839.661   36.426 5.927673 44.50361 
1 1 1    3    2   17 o  788.468   24.405 11023.12  680.123   0.0000   0.0000 11023.12  680.123  ?   ?   788.468   24.405      ?      ? 
1 1 1    3    2   19 o  334.835   12.149  1984.81  143.772  1981.62  203.253  1988.00  203.396  334.566   17.188  335.104   17.173 -0.5385132 24.29706 
1 1 1    3    2   21 o  177.967   11.842  561.178   74.426  586.685  105.136  535.555  105.374  182.032   16.341  173.903   17.144 8.129318 23.68417 
1 1 1    3    2   23 o  311.567   12.501  1720.38  137.662  1702.78  194.587  1738.01  194.779  309.968   17.761  313.166   17.597 -3.198029 25.00265 
1 1 1    3    2   25 o  151.693   12.808  408.607   68.567  382.195   96.792  435.212   97.145  146.750   18.661  156.636   17.547 -9.886292 25.61535 
1 1 1    3    2   27 o  115.179   10.921  235.489   44.456  231.716   62.640  239.318   63.103  114.248   15.513  116.111   15.376 -1.863419 21.84204 
1 1 1    3    2   29 f  370.059   12.877  2443.27  168.419  2441.21  238.065  2445.33  238.296  369.903   18.209  370.214   18.211 -0.3115540 25.75318 
1 1 1    3    2   31 o  118.273   16.124  260.242   64.941  269.803   91.340  250.468   92.351  120.642   22.241  115.904   23.351 4.738106 32.24741 
1 1 1    3    2   33 o   45.778   12.275   26.630   27.725   38.940   34.728   4.9950   46.040   48.749   16.717   42.808   17.980 5.941433 24.55046 
1 1 1    3    2   35 o   66.781   20.157   81.174   51.563   81.174   51.563   0.0000   0.0000   66.781   20.157  ?   ?       ?      ? 
1 1 1    3    3    0 o  537.370   19.789  5124.95  375.429  4845.69  530.932  5404.23  530.941  522.667   28.740  552.074   27.210 -29.40753 39.57776 
1 1 1    3    3    2 o  737.477   23.497  9664.01  612.425  9558.67  866.106  9769.34  866.095  733.435   33.411  741.518   33.046 -8.082275 46.99314 
1 1 1    3    3    4 o  498.303   19.121  4412.14  336.105  4729.98  475.346  4094.35  475.303  516.348   26.046  480.258   28.001 36.09009 38.24238 
1 1 1    3    3    6 o  531.848   16.834  5003.65  298.770  5072.92  517.534  4969.03  365.900  534.220   27.409  529.477   19.552 4.743286 33.66841 
1 1 1    3    3    8 o  160.749   14.371  457.671   81.648   0.0000   0.0000  457.671   81.648  ?   ?   160.749   14.371      ?      ? 
1 1 1    3    3   10 o  522.009   16.730  4801.57  292.215  4981.21  506.109  4711.74  357.896  528.768   27.081  515.250   19.653 13.51746 33.46017 
1 1 1    3    3   12 o  236.288   12.356  959.015   98.510  894.227  120.588  1088.99  170.798  224.731   15.182  247.846   19.498 -23.11449 24.71119 
1 1 1    3    3   14 o  514.441   19.230  4699.23  349.561  4576.60  494.191  4822.02  494.518  507.693   27.541  521.189   26.845 -13.49597 38.45967 
1 1 1    3    3   16 o  524.294   18.107  4866.73  335.545  4866.73  335.545   0.0000   0.0000  524.294   18.107  ?   ?       ?      ? 
1 1 1    3    3   18 o  170.470   9.9450  528.880   57.290  351.073   80.856  708.135   81.185  140.839   16.243  200.100   11.479 -59.26137 19.88995 
1 1 1    3    3   20 o  1628.84   30.003 47491.02  1725.06 44753.63  2439.49 50228.98  2439.74  1581.29   43.648  1676.39   41.176 -95.10510 60.00548 
1 1 1    3    3   22 f  600.983   14.355  6425.97  303.327  5667.14  428.822  7185.83  429.116  565.236   21.465  636.731   19.068 -71.49548 28.71092 
1 1 1    3    3   24 o  405.878   18.354  3210.53  233.466  2261.73  404.090  3685.93  286.037  355.814   32.132  455.941   17.750 -100.1263 36.70841 
1 1 1    3    3   26 o  557.116   17.559  5511.79  345.746   0.0000   0.0000  5511.79  345.746  ?   ?   557.116   17.559      ?      ? 
1 1 1    3    3   32 o  174.553   21.614  549.028  133.345  549.028  133.345   0.0000   0.0000  174.553   21.614  ?   ?       ?      ? 
1 1 1    3    3   34 o  232.041   22.367  974.661  183.440  974.661  183.440   0.0000   0.0000  232.041   22.367  ?   ?       ?      ? 
1 1 1    3    3   36 o  316.765   23.766  1827.13  266.083  1827.13  266.083   0.0000   0.0000  316.765   23.766  ?   ?       ?      ? 
1 1 1    3    3   38 o   78.932   13.895  100.759   37.922   64.043   45.924  179.446   67.231   60.037   19.173   97.828   20.116 -37.79155 27.78927 
1 1 1    3    3   40 o  310.904   18.153  1802.21  198.358  1977.49  277.490  1619.05  283.654  327.384   23.981  294.424   27.258 32.95981 36.30563 
1 1 1    3    3   42 o   83.122   13.736   94.117   36.871   52.956   41.958  233.670   77.258   55.107   18.377  111.137   20.421 -56.02996 27.47206 
1 1 1    3    3   44 f  184.060   22.365  641.526  145.493  641.526  145.493   0.0000   0.0000  184.060   22.365  ?   ?       ?      ? 
1 1 1    3    4    1 o  543.147   19.889  5236.73  381.766  5335.30  539.893  5138.16  539.904  548.281   27.860  538.012   28.393 10.26953 39.77845 
1 1 1    3    4    3 o  416.089   17.851  3072.32  262.521  3052.62  371.227  3092.02  371.294  414.750   25.324  417.429   25.166 -2.679291 35.70206 
1 1 1    3    4    5 o  952.340   28.041 16240.85  943.759 15959.52  1334.61 16522.24  1334.75  943.982   40.001  960.698   39.309 -16.71631 56.08268 
1 1 1    3    4    7 o  201.513   15.553  722.443  110.536  776.412  156.280  668.417  156.364  209.094   21.147  193.931   22.812 15.16345 31.10595 
1 1 1    3    4    9 o  636.059   17.344  7074.56  370.449  7589.76  641.617  6816.93  453.713  652.523   27.820  619.596   20.718 32.92700 34.68729 
1 1 1    3    4   11 o  185.614   12.973  606.075   80.533  624.682  139.446  596.763   98.648  187.651   21.025  183.577   15.204 4.073364 25.94612 
1 1 1    3    4   13 o  804.708   24.887 11535.36  707.837 11532.10  1000.88 11538.63  1001.19  804.594   35.195  804.823   35.196 -0.2279663 49.77424 
1 1 1    3    4   15 o  287.520   12.642  1441.21  122.021  1534.28  211.219  1394.59  149.489  294.305   20.306  280.736   15.066 13.56952 25.28422 
1 1 1    3    4   17 o  287.100   22.874  1460.97  232.113   0.0000   0.0000  1460.97  232.113  ?   ?   287.100   22.874      ?      ? 
1 1 1    3    4   19 o  667.894   31.356  7932.71  740.199   0.0000   0.0000  7932.71  740.199  ?   ?   667.894   31.356      ?      ? 
1 1 1    3    4   23 o  528.867   27.820  4980.29  520.023   0.0000   0.0000  4980.29  520.023  ?   ?   528.867   27.820      ?      ? 
1 1 1    3    4   25 o  335.326   23.748  2002.49  281.462  2002.49  281.462   0.0000   0.0000  335.326   23.748  ?   ?       ?      ? 
1 1 1    3    4   27 o  576.522   29.233  5982.67  595.678  5982.67  595.678   0.0000   0.0000  576.522   29.233  ?   ?       ?      ? 
1 1 1    3    4   29 o  125.977   17.211  295.092   74.472  363.963  104.784  224.797  105.862  142.549   20.797  109.404   27.429 33.14563 34.42180 
1 1 1    3    4   31 o  184.064   15.673  610.649  101.890  632.176  143.429  588.719  144.767  187.421   21.652  180.708   22.666 6.712738 31.34576 
1 1 1    3    4   33 o  130.817   14.621  313.623   65.389  261.979   91.378  367.820   93.610  118.497   22.644  143.137   18.503 -24.63978 29.24231 
1 1 1    3    4   35 o  198.257   14.123  714.547   96.725  535.142  134.565  906.328  139.129  171.837   22.156  224.677   17.520 -52.84047 28.24637 
1 1 1    3    4   37 o  173.382   19.505  581.974  111.323  770.761  155.874  385.432  159.042  206.044   21.404  140.721   32.614 65.32256 39.01014 
1 1 1    3    4   39 o  124.526   22.578  291.729   95.712  291.729   95.712   0.0000   0.0000  124.526   22.578  ?   ?       ?      ? 
1 1 1    3    4   41 o  120.440   14.576  261.819   59.318  188.567   77.493  365.472   92.182   99.211   22.604  141.668   18.410 -42.45646 29.15237 
1 1 1    3    4   43 o  203.393   14.730  763.118  104.136  592.209  140.858  969.131  154.649  177.668   22.431  229.118   19.097 -51.44974 29.45931 
1 1 1    3    5    0 o  810.316   23.932 12111.81  632.970 10565.63  1096.36 12884.86  775.220  768.768   40.349  851.864   25.747 -83.09589 47.86443 
1 1 1    3    5    2 o  756.406   21.508 10317.75  538.157  9804.74  932.137 10574.23  659.097  741.090   35.587  771.723   24.164 -30.63275 43.01528 
1 1 1    3    5    4 o  247.903   12.946  1065.75  107.992  1166.67  187.066  1015.31  132.256  256.402   20.642  239.405   15.630 16.99715 25.89202 
1 1 1    3    5    6 o  598.882   20.719  6405.29  438.026  6039.16  619.362  6771.66  619.562  581.580   30.131  616.184   28.448 -34.60382 41.43888 
1 1 1    3    5    8 o  274.303   16.111  1337.37  156.178  1357.70  220.805  1317.01  220.934  276.401   22.602  272.204   22.964 4.197784 32.22113 
1 1 1    3    5   10 o  243.870   15.481  1056.64  133.182  980.398  188.235  1133.06  188.461  235.014   22.661  252.725   21.099 -17.71025 30.96268 
1 1 1    3    5   12 o  600.752   29.580  6414.65  628.079   0.0000   0.0000  6414.65  628.079  ?   ?   600.752   29.580      ?      ? 
1 1 1    3    5   14 o  997.174   26.443 17643.19  931.971   0.0000   0.0000 17643.19  931.971  ?   ?   997.174   26.443      ?      ? 
1 1 1    3    5   16 o  453.634   18.891  3643.95  302.891   0.0000   0.0000  3643.95  302.891  ?   ?   453.634   18.891      ?      ? 
1 1 1    3    5   18 o  120.939   22.088  267.344   90.936   0.0000   0.0000  267.344   90.936  ?   ?   120.939   22.088      ?      ? 
1 1 1    3    5   20 o  445.561   17.967  3526.49  282.750  3677.54  399.942  3375.55  399.797  455.148   24.861  435.973   25.945 19.17529 35.93390 
1 1 1    3    5   22 o  348.250   14.179  2214.02  161.916  1976.65  280.242  2332.96  198.379  333.566   23.770  362.933   15.465 -29.36664 28.35813 
1 1 1    3    5   24 o  640.051   21.680  7323.97  490.456  7284.24  693.273  7363.77  693.947  638.297   30.730  641.805   30.592 -3.508240 43.36096 
1 1 1    3    5   26 o  860.147   25.406 13411.73  770.731 12418.17  1089.55 14406.88  1090.41  827.447   37.255  892.846   34.554 -65.39868 50.81230 
1 1 1    3    5   28 o  446.139   18.353  3585.47  289.356  3516.14  408.816  3655.08  409.609  441.742   26.184  450.536   25.723 -8.794342 36.70528 
1 1 1    3    5   30 o  229.005   22.243  943.599  180.039  943.599  180.039   0.0000   0.0000  229.005   22.243  ?   ?       ?      ? 
1 1 1    3    5   32 o  249.784   22.581  1127.53  199.358  1127.53  199.358   0.0000   0.0000  249.784   22.581  ?   ?       ?      ? 
1 1 1    3    5   34 f  213.221   14.767  823.056  110.468  702.972  154.725  947.914  157.770  197.014   22.220  229.427   19.456 -32.41235 29.53423 
1 1 1    3    5   36 o  162.427   16.315  482.538   93.073  533.280  130.120  429.379  133.184  171.531   21.462  153.322   24.577 18.20900 32.62917 
1 1 1    3    5   38 o  270.733   16.819  1345.42  160.742  1403.17  225.646  1285.92  229.040  276.936   23.053  264.531   24.497 12.40469 33.63857 
1 1 1    3    5   40 f  202.888   15.489  755.190  110.924  702.666  154.173  811.556  159.713  195.437   22.319  210.340   21.483 -14.90265 30.97868 
1 1 1    3    5   42 o  221.292   15.884  911.351  124.134  864.498  172.210  962.025  179.096  215.294   22.631  227.290   22.294 -11.99605 31.76765 
1 1 1    3    5   44 f   45.221   12.627   25.071   28.565   35.346   32.979  -5.7978   57.161   46.215   16.265   44.227   19.320 1.988487 25.25476 
1 1 1    3    6    1 o   88.794   12.761  142.690   37.277  142.168   64.595  142.951   45.644   87.745   21.090   89.843   14.374 -2.097725 25.52232 
1 1 1    3    6    3 o  315.586   13.251  1748.29  140.031  1825.07  242.540  1709.91  171.502  320.539   21.408  310.633   15.621 9.906128 26.50142 
1 1 1    3    6    5 o  195.517   11.690  672.403   76.446  693.928  132.396  661.638   93.631  197.750   18.942  193.284   13.706 4.466217 23.38087 
1 1 1    3    6    7 o  175.280   14.651  544.140   90.764   0.0000   0.0000  544.140   90.764  ?   ?   175.280   14.651      ?      ? 
1 1 1    3    6    9 f  231.202   15.931  946.626  130.187   0.0000   0.0000  946.626  130.187  ?   ?   231.202   15.931      ?      ? 
1 1 1    3    6   11 o  370.248   24.325  2431.81  318.326   0.0000   0.0000  2431.81  318.326  ?   ?   370.248   24.325      ?      ? 
1 1 1    3    6   15 o  407.012   17.413  2940.24  250.145  3121.25  353.816  2759.34  353.700  419.591   23.858  394.434   25.371 25.15701 34.82661 
1 1 1    3    6   17 o  274.025   12.600  1315.70  106.218  1357.79  212.390  1301.67  122.658  276.789   21.710  271.262   12.793 5.527344 25.19933 
1 1 1    3    6   19 o  450.853   18.041  3600.47  287.481   0.0000   0.0000  3600.47  287.481  ?   ?   450.853   18.041      ?      ? 
1 1 1    3    6   21 o  586.019   17.298  6163.70  335.899  5916.63  581.657  6287.32  411.439  576.566   28.543  595.473   19.549 -18.90747 34.59562 
1 1 1    3    6   23 o   72.834   12.751   92.573   31.415  117.689   54.094   79.792   38.589   79.849   19.366   65.819   16.593 14.03013 25.50211 
1 1 1    3    6   25 o  218.738   15.063  855.152  115.759  746.915  163.439  964.107  163.980  204.695   22.591  232.782   19.931 -28.08755 30.12585 
1 1 1    3    6   27 o  380.476   17.200  2599.10  231.124  2481.36  326.515  2717.34  327.205  371.708   24.853  389.243   23.784 -17.53522 34.39969 
1 1 1    3    6   29 f  270.649   15.592  1319.09  148.590  1185.99  209.711  1453.28  210.568  256.687   23.115  284.611   20.932 -27.92416 31.18461 
1 1 1    3    6   31 o  172.739   14.465  540.104   87.245  442.772  122.813  639.263  123.960  156.661   22.180  188.817   18.575 -32.15562 28.93053 
1 1 1    3    6   33 o  148.718   15.829  401.455   82.936  433.073  116.467  368.927  118.131  154.845   21.281  142.591   23.440 12.25459 31.65883 
1 1 1    3    6   35 o  200.432   15.502  728.005  109.791  707.475  153.680  749.405  156.907  197.526   22.013  203.337   21.833 -5.811264 31.00353 
1 1 1    3    6   37 o  164.109   14.857  488.438   85.813  430.323  118.850  551.730  124.031  153.741   21.872  174.478   20.113 -20.73714 29.71365 
1 1 1    3    6   39 o  192.761   18.854  713.167  121.273  882.054  169.278  535.090  173.823  219.496   21.820  166.025   30.755 53.47102 37.70877 
1 1 1    3    6   41 o  160.532   17.601  493.158   96.296  551.705  132.942  428.529  139.675  172.725   21.776  148.340   27.658 24.38535 35.20181 
1 1 1    3    6   43 f  195.952   14.697  718.740  100.048  560.577  137.858  894.739  145.423  172.129   22.660  219.775   18.721 -47.64684 29.39307 
1 1 1    3    6   45 o   55.496   18.401   56.725   42.090   56.725   42.090   0.0000   0.0000   55.496   18.401  ?   ?       ?      ? 
1 1 1    3    7    0 o  520.247   13.886  4804.39  255.327  4803.43  361.066  4805.34  361.107  520.195   19.638  520.298   19.636 -0.1036377 27.77136 
1 1 1    3    7    2 o  948.136   24.015 16269.92  753.756 15577.73  1305.44 16616.10  923.196  930.606   39.689  965.666   27.049 -35.05981 48.02972 
1 1 1    3    7    4 o  771.998   24.203 10672.10  659.415 11332.14  932.576 10012.11  932.532  796.186   33.140  747.809   35.282 48.37756 48.40519 
1 1 1    3    7    6 o  301.200   23.121  1611.15  246.144   0.0000   0.0000  1611.15  246.144  ?   ?   301.200   23.121      ?      ? 
1 1 1    3    7    8 o  378.946   17.247  2549.22  230.946  2610.80  326.652  2487.67  326.561  383.542   24.096  374.350   24.681 9.192444 34.49349 
1 1 1    3    7   10 o  588.917   20.514  6163.06  426.786  6388.69  603.623  5937.51  603.510  599.755   28.476  578.080   29.538 21.67517 41.02838 
1 1 1    3    7   12 o  854.444   25.778 13000.23  778.401 12787.81  1100.69 13212.75  1100.96  847.409   36.749  861.478   36.158 -14.06934 51.55529 
1 1 1    3    7   14 f  180.878   11.319  591.602   67.449  543.338  116.724  615.798   82.644  175.169   18.853  186.587   12.532 -11.41882 22.63805 
1 1 1    3    7   16 o  349.089   13.881  2153.07  161.681  2175.47  279.957  2141.86  198.046  350.315   22.611  347.863   16.108 2.451660 27.76160 
1 1 1    3    7   18 o  512.675   19.197  4669.78  347.748  4799.73  491.860  4539.90  491.720  519.845   26.770  505.506   27.521 14.33887 38.39351 
1 1 1    3    7   20 o  642.497   17.247  7146.13  343.184  7719.76  686.321  6954.89  396.284  658.508   29.488  626.485   17.897 32.02313 34.49406 
1 1 1    3    7   22 o  187.787   11.633  662.420   64.747  555.991  129.360  697.994   74.789  176.960   20.683  198.615   10.654 -21.65483 23.26533 
1 1 1    3    7   24 o  158.066   12.461  459.427   59.181  413.690  118.217  474.722   68.364  152.416   21.945  163.716   11.814 -11.30002 24.92292 
1 1 1    3    7   26 o  207.377   14.591  777.249  104.789  598.446  147.793  958.010  148.599  182.855   22.868  231.900   18.130 -49.04506 29.18280 
1 1 1    3    7   28 o  401.237   17.264  2906.08  244.116  2652.71  344.852  3160.59  345.615  383.339   25.452  419.135   23.330 -35.79575 34.52715 
1 1 1    3    7   30 o  352.547   16.234  2258.05  200.048  1876.21  282.453  2642.39  283.371  321.815   24.832  383.280   20.918 -61.46457 32.46865 
1 1 1    3    7   32 o  391.110   18.101  2788.37  250.067  2894.49  353.237  2681.75  354.059  398.819   25.059  383.401   26.128 15.41769 36.20266 
1 1 1    3    7   34 o  144.341   18.625  402.677   90.256  559.097  127.096  243.541  128.194  175.948   20.437  112.734   31.142 63.21385 37.24937 
1 1 1    3    7   36 o   99.648   13.120  182.661   44.396  100.715   59.923  282.384   66.103   73.731   21.603  125.565   14.895 -51.83437 26.24006 
1 1 1    3    7   38 o  248.344   16.497  1133.13  144.676  1172.21  203.152  1092.91  206.084  252.930   22.725  243.757   23.920 9.173309 32.99393 
1 1 1    3    7   40 o  220.960   15.849  901.300  123.716  863.430  172.492  941.419  177.541  216.111   22.582  225.808   22.245 -9.696655 31.69891 
1 1 1    3    7   42 o  127.762   15.889  308.159   70.101  280.307   94.881  341.637  104.024  120.357   23.145  135.166   21.774 -14.80923 31.77741 
1 1 1    3    7   44 o  102.911   14.511  197.508   51.463  139.995   66.988  280.332   80.389   83.731   22.254  122.091   18.629 -38.35954 29.02240 
1 1 1    3    8    1 o  341.930   23.828  2077.22  287.971   0.0000   0.0000  2077.22  287.971  ?   ?   341.930   23.828      ?      ? 
1 1 1    3    8    3 o  318.361   14.222  1788.18  151.242  1769.26  185.240  1826.00  261.937  316.029   16.584  320.692   23.109 -4.663666 28.44415 
1 1 1    3    8    5 o  722.916   20.265  9338.75  486.787  9428.30  596.204  9159.68  843.097  728.926   23.142  716.907   33.273 12.01910 40.52945 
1 1 1    3    8    7 o  458.901   12.478  3730.45  202.295  3595.64  286.054  3865.33  286.124  450.587   17.962  467.215   17.327 -16.62759 24.95680 
1 1 1    3    8    9 o  870.303   22.521 13373.45  655.122 13748.14  1134.68 13186.09  802.367  878.566   36.541  862.039   26.335 16.52704 45.04147 
1 1 1    3    8   11 o  264.439   16.130  1240.12  150.632  1298.48  212.929  1181.65  213.123  270.689   22.256  258.189   23.355 12.49994 32.26079 
1 1 1    3    8   13 o  1080.15   25.641 21004.94  917.045 20091.42  1588.29 21461.77  1123.18  1060.87   42.359  1099.42   28.904 -38.54248 51.28104 
1 1 1    3    8   15 o  648.272   18.862  7405.43  408.827  7625.35  708.073  7295.46  500.721  654.994   30.586  641.550   22.082 13.44470 37.72431 
1 1 1    3    8   17 o  857.841   22.048 13471.01  619.945 12043.85  1073.65 14184.84  759.321  821.586   36.973  894.096   24.028 -72.51007 44.09511 
1 1 1    3    8   19 o  989.672   40.918 17553.90  1431.30   0.0000   0.0000 17553.90  1431.30  ?   ?   989.672   40.918      ?      ? 
1 1 1    3    8   21 o  865.668   20.161 13215.17  536.532 13652.14  1073.01 13069.50  619.544  873.284   34.764  858.052   20.429 15.23236 40.32198 
1 1 1    3    8   23 o  320.946   13.063  1737.23  131.283  2031.64  262.572  1639.10  151.591  337.808   21.992  304.084   14.105 33.72339 26.12612 
1 1 1    3    8   25 o  298.185   13.926  1601.11  137.648  1539.64  238.199  1631.93  168.659  293.364   22.973  303.007   15.748 -9.642578 27.85246 
1 1 1    3    8   27 f  490.559   19.169  4353.14  332.341  4285.93  469.715  4420.50  470.289  486.685   27.307  494.432   26.912 -7.747375 38.33895 
1 1 1    3    8   29 o  251.487   15.956  1140.12  141.827  1132.19  200.264  1148.09  200.883  250.600   22.610  252.373   22.521 -1.772568 31.91229 
1 1 1    3    8   31 f  323.761   17.128  1903.62  195.847  1984.50  276.634  1822.34  277.308  330.857   23.656  316.665   24.777 14.19223 34.25626 
1 1 1    3    8   33 o   89.863   16.435  152.483   54.511  206.258   76.394   96.700   77.807  105.016   21.310   74.710   25.025 30.30597 32.86932 
1 1 1    3    8   35 o  138.998   14.673  350.130   71.822  313.309  100.598  388.412  102.574  131.387   21.663  146.608   19.795 -15.22055 29.34502 
1 1 1    3    8   37 o  228.889   16.308  960.385  131.799  996.937  185.030  922.737  187.784  233.536   22.417  224.241   23.693 9.294647 32.61691 
1 1 1    3    8   39 o  132.247   15.123  324.633   68.257  263.286   93.794  393.698   99.519  117.510   23.405  146.984   19.157 -29.47466 30.24527 
1 1 1    3    8   41 o  117.945   16.210  266.599   65.052  243.141   89.017  293.486   95.300  112.157   23.220  123.733   22.625 -11.57661 32.42046 
1 1 1    3    8   43 f   68.555   22.647   88.258   63.779   0.0000   0.0000   88.258   63.779  ?   ?    68.555   22.647      ?      ? 
1 1 1    3    8   45 o   96.352   25.983  197.837   90.510   0.0000   0.0000  197.837   90.510  ?   ?    96.352   25.983      ?      ? 
1 1 1    3    9    0 o  122.515   12.467  263.805   51.046  259.673   62.476  272.102   88.533  121.126   14.593  123.904   20.216 -2.778282 24.93311 
1 1 1    3    9    2 o  402.056   17.564  2869.42  249.517  2784.85  352.789  2954.06  352.952  396.103   25.199  408.010   24.475 -11.90698 35.12876 
1 1 1    3    9    4 o  773.495   24.249 10653.22  662.922 10652.13  937.424 10654.30  937.603  773.456   34.291  773.534   34.294 -0.7830811E-01 48.49702 
1 1 1    3    9    6 o  610.611   18.198  6629.50  369.802  6572.05  640.477  6658.22  452.927  608.213   29.794  613.010   20.905 -4.796692 36.39612 
1 1 1    3    9    8 o  263.086   11.243  1225.05  104.534  1201.36  147.809  1248.75  147.858  260.538   16.051  265.635   15.748 -5.096313 22.48687 
1 1 1    3    9   10 o  592.011   17.431  6237.63  343.172  6146.73  594.340  6283.10  420.315  588.419   28.578  595.604   19.966 -7.185242 34.86175 
1 1 1    3    9   12 o  470.402   16.259  3994.59  252.319  3716.21  436.969  4133.84  309.048  457.609   27.017  483.195   18.096 -25.58670 32.51739 
1 1 1    3    9   14 o  576.642   17.474  5941.77  334.446  5773.08  579.214  6026.15  409.634  570.064   28.747  583.219   19.872 -13.15497 34.94710 
1 1 1    3    9   16 o  257.222   14.736  1173.56  126.263  1171.01  218.643  1174.84  154.658  256.877   24.082  257.567   16.989 -0.6900330 29.47131 
1 1 1    3    9   18 o  165.843   12.740  511.941   68.382  422.611  118.321  556.742   83.793  154.329   21.692  177.357   13.367 -23.02806 25.47976 
1 1 1    3    9   20 o  374.596   24.487  2495.89  324.209   0.0000   0.0000  2495.89  324.209  ?   ?   374.596   24.487      ?      ? 
1 1 1    3    9   22 o  250.744   13.462  1128.14  111.886  1085.27  193.749  1149.59  137.047  246.886   22.204  254.601   15.230 -7.715057 26.92467 
1 1 1    3    9   24 o  158.577   12.292  448.819   59.541  444.724  119.018  450.186   68.765  157.818   21.337  159.336   12.210 -1.517609 24.58377 
1 1 1    3    9   26 o  303.398   23.389  1654.66  250.815   0.0000   0.0000  1654.66  250.815  ?   ?   303.398   23.389      ?      ? 
1 1 1    3    9   28 o  240.105   13.468  1022.18  108.306  1067.21  187.352  999.574  132.733  243.529   21.766  236.682   15.867 6.846466 26.93584 
1 1 1    3    9   30 o   74.431   15.055  102.310   41.982  119.156   58.761   84.745   60.001   79.861   20.661   69.001   21.902 10.85979 30.10961 
1 1 1    3    9   32 o  205.490   22.043  764.644  160.093  764.644  160.093   0.0000   0.0000  205.490   22.043  ?   ?       ?      ? 
1 1 1    3    9   34 o  361.906   16.630  2395.86  211.115  2063.08  298.047  2730.95  299.078  335.819   25.111  387.994   21.809 -52.17438 33.25942 
1 1 1    3    9   36 o  125.809   15.445  292.112   67.208  273.259   93.152  312.581   97.060  120.512   22.702  131.105   20.946 -10.59302 30.88903 
1 1 1    3    9   38 o  178.829   22.529  588.297  142.395   0.0000   0.0000  588.297  142.395  ?   ?   178.829   22.529      ?      ? 
1 1 1    3    9   44 o   38.349   14.443   20.982   26.643   20.982   26.643   0.0000   0.0000   38.349   14.443  ?   ?       ?      ? 
1 1 1    3   10    1 f  292.538   11.481  1514.90  118.686  1480.11  167.822  1549.70  167.871  289.172   16.420  295.903   16.051 -6.730682 22.96208 
1 1 1    3   10    3 o  1601.56   30.517 45821.12  1727.39 46203.86  2442.87 45438.37  2442.93  1608.33   42.974  1594.80   43.339 13.52344 61.03332 
1 1 1    3   10    5 o  267.785   14.126  1287.30  125.105  1320.61  153.180  1220.56  216.808  273.171   15.865  262.400   23.377 10.77051 28.25241 
1 1 1    3   10    7 o  464.616   18.555  3829.61  304.688  3796.39  430.805  3862.86  430.984  462.592   26.349  466.639   26.131 -4.047119 37.10936 
1 1 1    3   10    9 o  465.711   18.705  3848.76  307.803  3949.99  435.216  3747.45  435.384  471.864   26.096  459.558   26.805 12.30563 37.40955 
1 1 1    3   10   11 o  259.020   16.063  1190.38  146.862  1260.20  207.621  1120.45  207.766  266.653   22.030  251.388   23.384 15.26529 32.12619 
1 1 1    3   10   13 o  944.554   24.467 15980.23  767.554 15632.38  1329.38 16154.18  940.079  935.491   40.206  953.617   27.891 -18.12598 48.93306 
1 1 1    3   10   15 o  781.299   21.571 10924.69  559.772 10684.94  969.497 11044.59  685.598  773.868   35.445  788.731   24.594 -14.86261 43.14180 
1 1 1    3   10   17 o  466.545   16.383  3841.77  255.419  3937.88  442.362  3793.71  312.836  470.534   26.599  462.555   19.135 7.978607 32.76687 
1 1 1    3   10   19 o  444.027   25.900  3510.48  406.466  3510.48  406.466   0.0000   0.0000  444.027   25.900  ?   ?       ?      ? 
1 1 1    3   10   21 o  673.528   19.659  8069.20  442.149  8248.91  765.779  7979.33  541.535  677.833   31.964  669.224   22.895 8.609314 39.31747 
1 1 1    3   10   23 o   81.312   12.628  116.674   33.902  142.256   58.512  103.747   41.595   87.652   19.400   74.971   16.172 12.68111 25.25694 
1 1 1    3   10   25 o  496.442   16.594  4408.86  274.952  4495.68  476.152  4365.42  336.774  498.728   27.012  494.155   19.282 4.573303 33.18830 
1 1 1    3   10   27 o  210.322   11.408  736.806   75.604  907.894  151.163  679.732   87.308  225.116   18.999  195.527   12.634 29.58881 22.81562 
1 1 1    3   10   29 o  132.023   21.259  314.269   99.199  314.269   99.199   0.0000   0.0000  132.023   21.259  ?   ?       ?      ? 
1 1 1    3   10   31 o  363.827   24.692  2410.89  317.522   0.0000   0.0000  2410.89  317.522  ?   ?   363.827   24.692      ?      ? 
1 1 1    3   10   37 o   35.921   13.656   16.377   23.960   16.377   23.960   0.0000   0.0000   35.921   13.656  ?   ?       ?      ? 
1 1 1    3   10   39 o  213.458   22.504  845.534  169.779  845.534  169.779   0.0000   0.0000  213.458   22.504  ?   ?       ?      ? 
1 1 1    3   10   41 o  261.685   16.945  1305.97  156.622  1341.13  220.036  1269.85  222.987  265.676   23.433  257.695   24.482 7.980408 33.88923 
1 1 1    3   10   43 o  138.316   15.696  374.854   74.170  309.905  102.127  447.347  107.895  123.653   24.234  152.978   19.955 -29.32497 31.39265 
1 1 1    3   11    0 o  131.509   9.5768  306.856   44.307  272.520   62.608  341.305   62.712  124.110   14.273  138.908   12.773 -14.79817 19.15368 
1 1 1    3   11    2 o  1104.42   22.042 21672.89  860.385 21495.76  1216.73 21850.05  1216.80  1099.88   31.299  1108.95   31.045 -9.075928 44.08395 
1 1 1    3   11    4 o  240.711   11.073  1025.40   94.201  1012.07  133.185  1038.76  133.255  239.143   15.757  242.280   15.561 -3.137054 22.14600 
1 1 1    3   11    6 o  621.723   15.122  6848.77  332.298  6814.34  469.909  6883.22  469.971  620.156   21.438  623.290   21.333 -3.134338 30.24434 
1 1 1    3   11    8 o  1093.45   22.121 21252.92  854.859 21576.09  1208.93 20929.73  1208.98  1101.82   31.043  1085.09   31.523 16.72485 44.24274 
1 1 1    3   11   10 o  687.526   19.285  8343.65  442.945  8243.37  542.434  8544.34  767.375  681.879   22.507  693.172   31.322 -11.29248 38.56971 
1 1 1    3   11   12 f  510.736   19.235  4634.36  347.144  4519.12  490.804  4749.72  491.067  504.349   27.533  517.122   26.868 -12.77304 38.46997 
1 1 1    3   11   14 o  673.245   22.432  8075.70  533.670  8269.74  754.596  7881.53  754.851  681.404   31.332  665.087   32.112 16.31671 44.86491 
1 1 1    3   11   16 o   46.837   10.311   38.775   18.437   33.735   31.618   41.371   22.694   46.059   15.942   47.615   13.082 -1.556503 20.62268 
1 1 1    3   11   18 o  591.286   18.077  6217.19  356.322  6256.30  617.114  6197.64  436.422  591.917   29.497  590.654   20.905 1.262207 36.15419 
1 1 1    3   11   20 o  338.359   23.824  2042.05  284.911   0.0000   0.0000  2042.05  284.911  ?   ?   338.359   23.824      ?      ? 
1 1 1    3   11   22 o  323.148   14.654  1902.95  155.937  1753.42  269.983  1977.81  191.020  312.791   24.421  333.504   16.205 -20.71289 29.30861 
1 1 1    3   11   24 f  610.615   18.232  6708.23  371.096  6784.37  642.692  6670.15  454.521  611.127   29.754  610.102   21.078 1.025635 36.46380 
1 1 1    3   11   26 o   83.901   15.396  129.391   43.972   0.0000   0.0000  129.391   43.972  ?   ?    83.901   15.396      ?      ? 
1 1 1    3   11   28 o  108.770   22.272  221.107   82.741   0.0000   0.0000  221.107   82.741  ?   ?   108.770   22.272      ?      ? 
1 1 1    3   11   30 f  255.002   22.735  1178.80  204.912   0.0000   0.0000  1178.80  204.912  ?   ?   255.002   22.735      ?      ? 
1 1 1    3   11   32 o  447.285   26.523  3670.94  419.297  3670.94  419.297   0.0000   0.0000  447.285   26.523  ?   ?       ?      ? 
1 1 1    3   11   34 o  239.706   14.945  1058.90  123.361  788.354  173.770  1333.78  175.156  207.543   23.689  271.870   18.228 -64.32692 29.89041 
1 1 1    3   11   36 o   43.224   10.540   27.073   19.731   14.931   25.453   45.355   31.232   36.065   13.981   50.383   15.777 -14.31784 21.08098 
1 1 1    3   11   38 o  173.308   14.841  553.845   90.153  467.881  125.755  644.739  129.311  158.971   22.381  187.645   19.497 -28.67349 29.68287 
1 1 1    3   11   40 o  109.611   17.262  238.350   67.784  321.265   94.614  150.917   97.158  131.363   20.378   87.860   27.869 43.50291 34.52467 
1 1 1    3   11   42 o  153.506   16.162  458.127   87.626  459.244  121.870  456.931  126.079  153.979   22.393  153.032   23.310 0.9476776 32.32352 
1 1 1    3   12    1 o  232.042   11.104  953.068   91.045  978.941  128.733  927.176  128.781  235.197   15.486  228.886   15.919 6.311935 22.20863 
1 1 1    3   12    3 o  261.965   11.501  1216.20  106.284  1302.74  150.295  1129.64  150.321  271.313   15.673  252.618   16.836 18.69563 23.00200 
1 1 1    3   12    5 o  1043.79   21.007 19356.89  774.992 19416.12  1095.97 19297.67  1096.04  1045.40   29.662  1042.19   29.755 3.211060 42.01413 
1 1 1    3   12    7 o  427.715   12.691  3241.04  191.729  3105.23  271.111  3376.92  271.181  418.730   18.319  436.701   17.569 -17.97162 25.38217 
1 1 1    3   12    9 o  318.194   16.105  1804.40  179.757  1549.20  254.066  2060.20  254.363  295.476   24.328  340.911   21.110 -45.43555 32.21005 
1 1 1    3   12   11 o  1071.81   21.542 20449.26  815.899 19995.04  1153.81 20903.55  1153.90  1059.82   30.802  1083.80   30.123 -23.98157 43.08332 
1 1 1    3   12   13 o  830.125   17.550 12248.18  514.603 11753.94  727.709 12742.56  727.808  813.277   25.316  846.972   24.312 -33.69452 35.09990 
1 1 1    3   12   15 o  413.627   18.041  3045.41  263.494  3199.37  372.532  2891.27  372.742  424.165   24.849  403.089   26.163 21.07599 36.08284 
1 1 1    3   12   17 o  624.479   21.106  6978.18  465.162  6546.10  657.656  7410.74  658.021  604.894   30.761  644.064   28.906 -39.16968 42.21138 
1 1 1    3   12   19 o  412.405   15.788  3086.04  214.794  2878.28  371.949  3189.99  263.097  401.113   26.236  423.697   17.569 -22.58365 31.57507 
1 1 1    3   12   21 o  265.459   22.677  1261.38  212.762   0.0000   0.0000  1261.38  212.762  ?   ?   265.459   22.677      ?      ? 
1 1 1    3   12   23 o  303.700   23.345  1658.70  250.585   0.0000   0.0000  1658.70  250.585  ?   ?   303.700   23.345      ?      ? 
1 1 1    3   12   25 o  550.337   28.860  5524.87  561.371   0.0000   0.0000  5524.87  561.371  ?   ?   550.337   28.860      ?      ? 
1 1 1    3   12   27 o   98.413   15.531  181.519   52.667  190.296   74.546  172.773   74.418  100.881   21.561   95.945   22.359 4.935684 31.06119 
1 1 1    3   12   29 o  230.103   16.408  966.962  132.061  1121.80  186.636  811.704  186.889  249.172   21.192  211.035   25.056 38.13696 32.81620 
1 1 1    3   12   31 o  135.125   12.815  311.754   58.835  390.038  101.608  272.265   72.164  147.043   19.551  123.207   16.572 23.83619 25.62911 
1 1 1    3   12   33 o  256.027   16.657  1201.79  150.156  1315.98  212.061  1086.97  212.644  268.693   22.330  243.361   24.722 25.33133 33.31356 
1 1 1    3   12   35 o  220.365   15.235  891.166  117.674  759.614  165.756  1024.83  167.085  203.369   23.060  237.362   19.916 -33.99272 30.47012 
1 1 1    3   12   37 f  264.603   15.979  1296.77  149.076  1190.13  209.728  1405.67  211.939  253.145   23.441  276.061   21.721 -22.91565 31.95740 
1 1 1    3   12   39 o  174.228   15.149  567.636   92.583  485.043  129.390  654.288  132.531  160.602   22.794  187.853   19.961 -27.25066 30.29883 
1 1 1    3   12   41 o  102.872   14.926  206.172   53.457  145.848   73.924  272.295   77.394   85.163   23.694  120.581   18.160 -35.41822 29.85257 
1 1 1    3   12   43 o  143.839   16.034  413.689   81.422  388.029  112.955  441.444  117.474  138.961   22.998  148.717   22.349 -9.755844 32.06865 
1 1 1    3   13    0 o  331.640   11.978  1949.40  140.171  2076.43  198.202  1822.30  198.263  342.481   16.374  320.800   17.486 21.68103 23.95536 
1 1 1    3   13    2 o  619.112   15.114  6794.73  330.694  6912.37  467.641  6677.06  467.703  624.488   21.187  613.735   21.561 10.75348 30.22850 
1 1 1    3   13    4 o   69.530   10.567   88.930   25.210   81.077   35.578   96.848   35.726   66.354   15.457   72.706   14.412 -6.352104 21.13373 
1 1 1    3   13    6 o  214.637   10.464  817.832   79.018  727.092  111.686  908.775  111.811  202.663   15.592  226.612   13.960 -23.94870 20.92817 
1 1 1    3   13    8 o  419.610   15.736  3127.00  219.886  3113.14  380.787  3133.94  269.329  418.640   25.735  420.579   18.118 -1.938904 31.47299 
1 1 1    3   13   10 o  403.136   12.516  2880.16  178.286  2801.35  252.091  2959.02  252.179  397.603   17.939  408.669   17.459 -11.06525 25.03205 
1 1 1    3   13   12 o  669.362   15.823  7957.51  374.279  8128.08  529.281  7786.90  529.341  676.573   22.134  662.151   22.618 14.42157 31.64614 
1 1 1    3   13   14 o  199.282   11.159  704.639   78.466  751.492  110.945  657.749  110.989  205.937   15.242  192.628   16.302 13.30931 22.31789 
1 1 1    3   13   16 o  209.433   13.838  808.466   94.548  700.512  163.648  862.554  115.837  198.299   23.349  220.567   14.859 -22.26817 27.67613 
1 1 1    3   13   18 o  333.301   23.768  1985.57  279.994   0.0000   0.0000  1985.57  279.994  ?   ?   333.301   23.768      ?      ? 
1 1 1    3   13   24 o  532.516   16.962  5106.50  301.210  5184.07  521.645  5067.71  368.928  533.580   27.660  531.452   19.641 2.128052 33.92410 
1 1 1    3   13   26 o  226.382   15.714  926.071  125.712  904.831  177.655  947.374  177.912  223.727   22.467  229.037   21.978 -5.309692 31.42876 
1 1 1    3   13   28 o  279.068   14.090  1411.95  130.501  1378.96  225.932  1428.47  159.867  275.641   23.191  282.496   16.011 -6.855194 28.18099 
1 1 1    3   13   30 o  215.969   13.934  879.988   97.503  737.490  168.583  951.614  119.521  201.231   23.703  230.708   14.658 -29.47647 27.86865 
1 1 1    3   13   32 f  188.593   12.938  612.139   82.781  748.546  143.173  543.637  101.460  203.281   19.927  173.905   16.507 29.37573 25.87598 
1 1 1    3   13   34 o  109.822   14.680  226.836   55.092  161.788   77.316  293.930   78.522   92.090   23.635  127.553   17.417 -35.46374 29.35956 
1 1 1    3   13   36 o  231.859   15.493  993.692  126.357  882.278  177.966  1106.95  179.435  218.193   23.077  245.526   20.677 -27.33351 30.98516 
1 1 1    3   13   38 o  236.256   15.835  1047.19  131.764  946.598  185.562  1149.48  187.132  224.168   23.420  248.345   21.319 -24.17744 31.67061 
1 1 1    3   13   40 o  102.469   16.807  212.055   63.358  296.721   88.647  123.638   90.589  125.282   20.020   79.655   27.001 45.62724 33.61333 
1 1 1    3   13   42 o   73.366   15.852  109.971   45.177  121.423   60.892   95.949   67.380   77.207   21.513   69.525   23.288 7.682190 31.70406 
1 1 1    3   14    1 o  358.049   11.807  2271.16  149.338  2186.91  211.157  2355.47  211.235  351.389   17.002  364.709   16.387 -13.31955 23.61353 
1 1 1    3   14    3 f  498.949   13.490  4412.53  237.867  4501.46  336.364  4323.57  336.425  503.993   18.883  493.906   19.272 10.08734 26.98079 
1 1 1    3   14    5 o  353.894   12.021  2218.84  150.330  2274.08  212.571  2163.58  212.628  358.312   16.785  349.477   17.214 8.834717 24.04283 
1 1 1    3   14    7 o  1044.91   26.368 19990.23  905.564 18239.78  1568.37 20865.65  1109.13  1007.25   44.054  1082.56   28.987 -75.30109 52.73577 
1 1 1    3   14    9 o  638.229   15.110  7237.54  340.358  6787.18  481.273  7688.16  481.405  618.259   22.024  658.199   20.693 -39.93994 30.22060 
1 1 1    3   14   11 o  303.891   14.032  1636.77  142.184  1646.52  246.215  1631.89  174.158  304.349   22.889  303.432   16.239 0.9170532 28.06428 
1 1 1    3   14   13 o  320.715   16.621  1831.35  188.406  1823.87  266.463  1838.83  266.429  320.055   23.555  321.375   23.456 -1.319611 33.24205 
1 1 1    3   14   15 o  372.852   17.240  2484.24  226.891  2629.60  320.918  2338.95  320.828  383.879   23.653  361.825   25.087 22.05371 34.47927 
1 1 1    3   14   17 o  411.389   15.159  2958.76  209.745  2823.47  256.895  3229.27  363.260  398.178   18.254  424.600   24.206 -26.42224 30.31705 
1 1 1    3   14   19 o  349.573   15.052  2284.26  170.745  1929.86  295.617  2461.68  209.163  327.312   25.553  371.834   15.915 -44.52170 30.10431 
1 1 1    3   14   21 o   86.784   15.292  140.580   46.784  131.761   66.250  149.351   66.075   84.103   22.026   89.465   21.217 -5.362183 30.58300 
1 1 1    3   14   23 o  208.165   15.923  784.025  116.611  868.186  164.786  699.606  165.039  219.624   21.229  196.705   23.738 22.91937 31.84587 
1 1 1    3   14   25 o  264.769   15.863  1270.64  147.851  1141.07  208.894  1400.71  209.292  250.903   23.556  278.636   21.252 -27.73311 31.72570 
1 1 1    3   14   27 o  187.990   13.698  657.275   84.113  578.301  145.602  696.833  103.048  178.499   23.079  197.482   14.764 -18.98370 27.39685 
1 1 1    3   14   29 o  113.679   13.613  240.199   49.841  227.130   86.058  246.795   61.139  109.880   22.902  117.478   14.724 -7.597992 27.22678 
1 1 1    3   14   31 o  127.328   13.956  308.947   56.263  267.154   97.001  330.136   69.069  118.866   23.917  135.790   14.391 -16.92325 27.91280 
1 1 1    3   14   33 o  126.836   12.806  296.776   48.145  291.414   95.344  298.610   55.778  124.391   22.515  129.281   12.207 -4.890297 25.61122 
1 1 1    3   14   35 o   73.814   12.398   97.854   29.310  113.964   55.930   91.755   34.415   77.455   20.215   70.174   14.359 7.281616 24.79591 
1 1 1    3   14   37 o  151.668   16.004  432.116   85.561  462.089  120.239  401.371  121.780  157.390   21.615  145.946   23.608 11.44353 32.00843 
1 1 1    3   14   39 o   96.129   13.943  179.631   47.077  100.313   65.127  266.433   68.130   72.073   22.812  120.185   16.039 -48.11270 27.88630 
1 1 1    3   14   41 o  113.599   17.240  268.619   67.173  289.423   94.000  246.909   96.025  119.022   23.179  108.176   25.527 10.84563 34.47985 
1 1 1    3   15    0 f  756.196   17.024 10165.00  454.682 10595.67  642.992  9734.26  643.043  772.311   23.556  740.080   24.583 32.23022 34.04710 
1 1 1    3   15    2 o  918.348   19.465 15018.78  631.363 15661.29  892.860 14376.21  892.904  938.144   26.927  898.552   28.115 39.59174 38.93004 
1 1 1    3   15    4 o  238.417   11.117  1007.01   93.672  1017.97  132.427  996.039  132.518  239.719   15.630  237.116   15.812 2.602707 22.23333 
1 1 1    3   15    6 o  635.512   18.743  7140.05  398.126  7341.97  689.535  7039.08  487.616  641.475   30.413  629.549   21.914 11.92584 37.48566 
1 1 1    3   15    8 o  278.836   22.812  1382.43  224.814  1382.43  224.814   0.0000   0.0000  278.836   22.812  ?   ?       ?      ? 
1 1 1    3   15   10 o  560.124   20.350  5609.59  402.607  5378.89  569.401  5840.25  569.344  548.471   29.373  571.776   28.173 -23.30518 40.69960 
1 1 1    3   15   12 o  372.624   14.877  2456.10  185.246  2424.10  226.895  2520.08  320.811  369.439   17.376  375.808   24.153 -6.369263 29.75379 
1 1 1    3   15   14 o  139.098   10.443  343.788   51.273  322.589   72.425  365.087   72.597  134.777   15.204  143.420   14.321 -8.642761 20.88689 
1 1 1    3   15   16 o  606.704   15.043  6583.96  322.575  6620.60  456.155  6547.30  456.226  608.414   21.213  604.994   21.336 3.419373 30.08634 
1 1 1    3   15   18 o  355.492   12.012  2255.70  150.766  2134.52  213.167  2376.99  213.264  345.844   17.439  365.140   16.525 -19.29599 24.02467 
1 1 1    3   15   20 o  117.683   15.260  246.877   63.473   0.0000   0.0000  246.877   63.473  ?   ?   117.683   15.260      ?      ? 
1 1 1    3   15   22 o  232.276   22.325  973.782  183.283   0.0000   0.0000  973.782  183.283  ?   ?   232.276   22.325      ?      ? 
1 1 1    3   15   24 o  111.733   13.043  220.044   47.990  252.720   83.152  203.724   58.765  116.710   20.927  106.755   15.574 9.954704 26.08604 
1 1 1    3   15   26 o  138.126   12.811  327.322   60.026  398.485  103.801  291.568   73.576  148.676   19.753  127.576   16.317 21.10029 25.62132 
1 1 1    3   15   28 o   76.462   13.557  108.865   37.651   71.268   52.596  148.381   53.922   63.569   20.541   89.355   17.700 -25.78638 27.11498 
1 1 1    3   15   30 o   42.161   10.386   26.761   18.420   36.660   30.841   21.272   22.967   46.714   15.755   37.609   13.537 9.105686 20.77184 
1 1 1    3   15   32 f  352.223   15.303  2396.98  172.977  1924.85  298.980  2634.53  212.074  321.837   26.284  382.610   15.682 -60.77325 30.60665 
1 1 1    3   15   34 o   81.569   11.426  146.551   31.244   52.240   51.609  201.111   39.254   56.993   20.315  106.144   10.463 -49.15112 22.85167 
1 1 1    3   15   36 o   68.328   14.774   87.719   39.297  100.025   54.327   74.212   56.913   72.385   20.373   64.271   21.401 8.113655 29.54814 
1 1 1    3   15   38 o   54.624   8.3168   35.796   18.459  -3.2377   22.347  119.638   32.752   27.857   12.127   81.392   11.385 -53.53498 16.63354 
1 1 1    3   15   40 o   60.590   13.615   68.882   32.717   55.811   43.231   86.405   50.053   55.059   18.653   66.121   19.838 -11.06207 27.22988 
1 1 1    3   16    1 o  189.801   13.131  613.549   84.395  728.233  146.145  556.170  103.373  202.490   20.420  177.112   16.514 25.37819 26.26184 
1 1 1    3   16    3 o  564.549   20.183  5698.66  401.737  6153.39  568.210  5244.15  568.072  587.332   27.372  541.766   29.667 45.56628 40.36515 
1 1 1    3   16    5 o  449.413   18.455  3602.57  293.084  3520.36  414.516  3684.76  414.451  444.237   26.400  454.588   25.795 -10.35031 36.90997 
1 1 1    3   16    7 o  306.370   23.271  1672.39  251.990  1672.39  251.990   0.0000   0.0000  306.370   23.271  ?   ?       ?      ? 
1 1 1    3   16    9 o  223.122   10.886  883.505   85.840  869.783  121.353  897.247  121.438  221.382   15.509  224.863   15.280 -3.481873 21.77167 
1 1 1    3   16   11 o  931.013   19.580 15570.17  644.201 15279.58  910.994 15860.81  911.082  922.182   27.950  939.844   27.427 -17.66168 39.15921 
1 1 1    3   16   13 o  234.468   11.041  978.430   91.381  922.034  129.190  1034.90  129.273  227.659   16.056  241.277   15.159 -13.61835 22.08113 
1 1 1    3   16   15 o  272.702   11.294  1327.44  108.477  1200.65  153.363  1454.38  153.457  259.540   16.718  285.863   15.188 -26.32275 22.58739 
1 1 1    3   16   17 o  518.429   13.874  4815.48  254.101  4646.33  359.308  4984.72  359.397  509.196   19.965  527.662   19.271 -18.46576 27.74796 
1 1 1    3   16   19 o  211.697   10.902  803.059   80.998  694.284  114.494  912.040  114.602  197.147   16.431  226.248   14.331 -29.10088 21.80313 
1 1 1    3   16   21 o  224.410   13.727  905.673  102.541  902.745  177.504  907.139  125.622  223.506   22.470  225.314   15.775 -1.808228 27.45408 
1 1 1    3   16   23 o  149.361   15.043  398.602   79.413   0.0000   0.0000  398.602   79.413  ?   ?   149.361   15.043      ?      ? 
1 1 1    3   16   25 o  222.126   14.078  917.332  102.272  813.537  177.006  969.348  125.305  211.463   23.683  232.790   15.229 -21.32661 28.15693 
1 1 1    3   16   27 o  120.724   14.235  284.677   53.770  224.069   92.997  315.113   65.902  108.663   24.765  132.785   14.042 -24.12141 28.46936 
1 1 1    3   16   29 o  224.419   13.621  909.117  101.936  919.904  176.347  903.704  124.921  224.530   22.222  224.308   15.757 0.2219391 27.24108 
1 1 1    3   16   31 o  201.708   15.775  746.417  112.454  754.924  158.571  737.810  159.501  202.930   22.108  200.485   22.509 2.445404 31.55065 
1 1 1    3   16   33 o   36.263   9.4617   6.0500   17.885   40.285   28.365 -16.5431   23.042   47.551   15.055   24.976   11.464 22.57501 18.92338 
1 1 1    3   16   35 o  155.314   15.133  452.149   82.207  379.176  115.810  526.263  116.711  141.950   23.083  168.679   19.576 -26.72867 30.26640 
1 1 1    3   16   37 o  187.629   15.301  676.426   99.783  541.742  140.392  813.917  141.847  167.183   23.759  208.074   19.288 -40.89180 30.60258 
1 1 1    3   16   39 o  106.603   24.117  235.735   88.743   0.0000   0.0000  235.735   88.743  ?   ?   106.603   24.117      ?      ? 
1 1 1    3   17    0 f  334.881   23.777  2000.63  281.427  2000.63  281.427   0.0000   0.0000  334.881   23.777  ?   ?       ?      ? 
1 1 1    3   17    2 o  261.646   15.929  1222.01  147.014  1310.00  207.947  1134.08  207.871  271.157   21.698  252.135   23.326 19.02217 31.85735 
1 1 1    3   17    4 o  187.177   13.078  602.160   82.731  693.778  143.243  556.302  101.342  197.363   20.535  176.991   16.200 20.37193 26.15560 
1 1 1    3   17    6 f  473.496   18.477  4027.55  308.027  3623.98  435.428  4431.81  435.805  449.364   27.416  497.629   24.778 -48.26505 36.95358 
1 1 1    3   17    8 o  112.019   10.508  222.982   41.582  214.516   58.798  231.452   58.813  109.880   15.140  114.158   14.576 -4.277504 21.01640 
1 1 1    3   17   10 o  250.562   10.998  1119.57   97.008  1003.87  137.123  1235.49  137.258  237.485   16.336  263.638   14.730 -26.15350 21.99668 
1 1 1    3   17   12 o  341.934   12.062  2085.24  145.718  2150.54  206.050  2019.90  206.102  347.339   16.784  336.528   17.328 10.81049 24.12375 
1 1 1    3   17   14 o  141.705   10.519  359.911   52.142  300.798   73.695  419.165   73.783  129.889   16.053  153.521   13.598 -23.63214 21.03785 
1 1 1    3   17   16 o  182.496   10.761  593.888   69.395  580.200   98.100  607.597   98.180  180.373   15.388  184.619   15.046 -4.246155 21.52138 
1 1 1    3   17   18 o  154.057   11.123  427.064   59.867  500.283   84.612  353.667   84.716  167.521   14.290  140.593   17.048 26.92844 22.24546 
1 1 1    3   17   20 o  180.205   10.841  580.593   68.979  609.665   97.506  551.467   97.597  184.775   14.930  175.635   15.722 9.139175 21.68154 
1 1 1    3   17   22 o  116.682   15.452  250.876   62.343  271.378   88.187  230.393   88.145  122.646   20.344  110.718   23.264 11.92811 30.90440 
1 1 1    3   17   24 o  301.045   13.920  1580.59  141.548  1819.37  245.172  1461.20  173.359  316.802   21.896  285.289   17.193 31.51239 27.83907 
1 1 1    3   17   26 o   39.494   9.9055   24.279   16.934   21.327   28.353   25.916   21.114   39.826   14.919   39.163   13.035 0.6626472 19.81101 
1 1 1    3   17   28 o  163.527   13.773  512.033   72.410  411.798  125.069  562.572   88.807  149.840   23.616  177.215   14.178 -27.37520 27.54507 
1 1 1    3   17   30 o  290.141   14.492  1558.12  138.834  1475.31  240.210  1599.65  170.127  282.500   24.058  297.783   16.164 -15.28256 28.98365 
1 1 1    3   17   32 o   93.153   13.384  170.385   40.861  134.790   69.570  189.129   50.486   83.820   22.854  102.487   13.937 -18.66727 26.76879 
1 1 1    3   17   34 o   52.110   18.119   45.673   40.867   0.0000   0.0000   45.673   40.867  ?   ?    52.110   18.119      ?      ? 
1 1 1    3   18    1 o  557.586   18.032  5663.44  332.033  5820.75  406.599  5348.56  575.259  571.041   20.146  544.131   29.912 26.91064 36.06311 
1 1 1    3   18    3 o  366.938   15.656  2479.79  188.107  2612.62  230.339  2213.82  325.935  383.065   17.013  350.812   26.287 32.25238 31.31170 
1 1 1    3   18    5 o  119.794   15.649  261.850   64.778  282.677   91.460  240.886   91.762  125.740   20.580  113.847   23.580 11.89324 31.29763 
1 1 1    3   18    7 o  376.705   17.028  2562.06  225.135  2217.93  318.194  2907.04  318.583  350.831   25.661  402.580   22.390 -51.74918 34.05576 
1 1 1    3   18    9 o  171.348   13.113  516.851   75.398  549.383  130.481  500.542   92.384  175.058   21.088  167.637   15.592 7.421265 26.22662 
1 1 1    3   18   11 o  500.295   13.662  4481.40  241.577  4476.08  341.607  4486.73  341.675  499.995   19.330  500.595   19.311 -0.6007996 27.32368 
1 1 1    3   18   13 o  249.030   11.164  1107.12   98.170  1052.12  138.799  1162.18  138.866  242.778   16.175  255.281   15.391 -12.50307 22.32754 
1 1 1    3   18   15 f  251.800   11.227  1132.46   99.906  1149.56  141.256  1115.35  141.321  253.723   15.752  249.877   16.001 3.845779 22.45350 
1 1 1    3   18   17 o  423.177   12.765  3215.41  190.586  2995.67  269.462  3435.36  269.595  408.480   18.664  437.874   17.420 -29.39423 25.53032 
1 1 1    3   18   19 o  304.640   11.658  1662.71  125.427  1587.33  177.326  1738.18  177.436  297.636   16.856  311.643   16.109 -14.00671 23.31600 
1 1 1    3   18   21 o  421.263   12.806  3189.91  190.663  3159.74  269.582  3220.09  269.693  419.238   18.193  423.288   18.027 -4.050171 25.61157 
1 1 1    3   18   23 f  370.764   24.838  2512.66  325.493   0.0000   0.0000  2512.66  325.493  ?   ?   370.764   24.838      ?      ? 
1 1 1    3   18   25 o  122.726   12.623  260.288   52.470  310.840   90.837  234.976   64.278  131.048   19.612  114.404   15.897 16.64394 25.24513 
1 1 1    3   18   27 o  236.993   14.316  1072.22  109.487  883.199  189.265  1167.29  134.226  218.972   24.455  255.014   14.892 -36.04219 28.63210 
1 1 1    3   18   29 f   51.725   15.352   48.925   30.097   0.0000   0.0000   48.925   30.097  ?   ?    51.725   15.352      ?      ? 
1 1 1    3   18   35 o   78.158   21.497  121.093   61.239  121.093   61.239   0.0000   0.0000   78.158   21.497  ?   ?       ?      ? 
1 1 1    3   18   37 f   88.583   16.050  162.088   50.490  155.976   70.714  168.445   72.114   86.835   22.763   90.331   22.633 -3.495728 32.10016 
1 1 1    3   19    0 o  383.473   12.557  2632.12  169.495  2903.15  239.695  2361.05  239.710  403.471   16.808  363.474   18.659 39.99710 25.11350 
1 1 1    3   19    2 o  221.771   11.329  882.501   87.863  1028.63  124.249  736.337  124.265  240.416   14.622  203.126   17.309 37.29013 22.65828 
1 1 1    3   19    4 o  266.439   11.421  1267.88  107.264  1374.34  151.666  1161.34  151.722  277.749   15.450  255.129   16.825 22.61917 22.84263 
1 1 1    3   19    6 o  281.875   11.552  1419.23  114.856  1522.34  162.421  1316.10  162.440  292.225   15.726  271.524   16.926 20.70132 23.10397 
1 1 1    3   19    8 o  206.019   15.921  864.504   99.594  1028.14  121.970  537.118  172.523  240.277   14.362  171.762   28.418 68.51453 31.84152 
1 1 1    3   19   10 o  406.670   17.772  2998.79  255.101  2820.84  360.589  3177.09  360.947  394.282   25.875  419.057   24.370 -24.77521 35.54451 
1 1 1    3   19   12 f  183.754   15.609  609.966  101.171  652.960  142.951  566.820  143.204  190.389   21.243  177.119   22.875 13.26991 31.21807 
1 1 1    3   19   14 o  225.910   13.872  937.830  103.080  860.184  178.412  976.736  126.291  217.969   23.158  233.851   15.280 -15.88223 27.74497 
1 1 1    3   19   16 o  272.348   11.468  1327.72  110.365  1358.31  156.045  1297.09  156.115  275.529   16.024  269.168   16.410 6.361603 22.93552 
1 1 1    3   19   18 o   67.093   10.296   83.181   24.490   52.829   34.507  113.982   34.762   54.185   16.520   80.001   12.294 -25.81632 20.59236 
1 1 1    3   19   20 o  238.777   11.319  1024.09   95.147  1126.91  134.527  921.181  134.591  250.967   15.166  226.588   16.806 24.37871 22.63723 
1 1 1    3   19   22 o  194.598   12.912  652.372   85.162  789.360  147.473  583.835  104.312  208.872   19.976  180.324   16.367 28.54713 25.82483 
1 1 1    3   19   24 o   95.499   22.275  172.784   73.805   0.0000   0.0000  172.784   73.805  ?   ?    95.499   22.275      ?      ? 
1 1 1    3   19   26 o  169.417   21.936  525.466  131.353   0.0000   0.0000  525.466  131.353  ?   ?   169.417   21.936      ?      ? 
1 1 1    3   19   28 o   74.591   21.236  105.004   58.676   0.0000   0.0000  105.004   58.676  ?   ?    74.591   21.236      ?      ? 
1 1 1    3   19   30 o  187.414   15.767  654.338  104.435  656.626  147.279  652.024  148.112  187.790   22.190  187.038   22.405 0.7518921 31.53323 
1 1 1    3   19   32 o  159.753   13.540  480.115   71.580  456.978  123.212  491.902   87.943  155.332   22.443  164.174   15.156 -8.842468 27.08073 
1 1 1    3   19   34 o   67.020   14.346   87.169   36.903   82.099   51.301   92.605   53.124   65.230   20.187   68.810   20.390 -3.580650 28.69296 
1 1 1    3   19   36 o   86.877   15.222  154.139   46.872  125.702   64.795  185.355   67.888   78.041   22.349   95.713   20.672 -17.67232 30.44408 
1 1 1    3   20    1 o   97.094   10.017  167.923   34.368  164.075   48.570  171.783   48.636   95.971   14.319   98.216   14.011 -2.244980 20.03320 
1 1 1    3   20    3 f  141.864   10.579  360.451   52.674  408.835   74.482  312.039   74.503  151.517   13.908  132.211   15.944 19.30533 21.15743 
1 1 1    3   20    5 o   59.599   11.768   63.211   24.654   58.864   30.164   71.959   42.788   56.451   14.900   62.747   18.218 -6.296227 23.53514 
1 1 1    3   20    7 f  316.146   11.745  1787.28  131.221  1752.25  185.531  1822.33  185.617  313.011   16.770  319.281   16.448 -6.270142 23.49017 
1 1 1    3   20    9 o   84.593   10.941  130.701   31.832  149.505   45.001  111.869   45.034   91.584   13.902   77.602   16.898 13.98138 21.88155 
1 1 1    3   20   11 f  457.489   13.159  3760.99  212.553  3567.03  300.536  3955.09  300.653  445.490   19.087  469.487   18.118 -23.99664 26.31719 
1 1 1    3   20   13 o  191.402   13.814  674.886   86.814  704.394  106.283  615.727  150.486  198.536   15.146  184.268   23.106 14.26782 27.62783 
1 1 1    3   20   15 o  306.780   16.806  1715.38  181.512  1885.98  256.679  1544.74  256.715  322.516   22.517  291.044   24.956 31.47205 33.61292 
1 1 1    3   20   17 o  184.143   15.384  614.509  100.091  594.138  141.260  635.049  141.843  181.010   22.080  187.277   21.429 -6.266479 30.76891 
1 1 1    3   20   19 o  129.048   14.429  297.802   65.814   0.0000   0.0000  297.802   65.814  ?   ?   129.048   14.429      ?      ? 
1 1 1    3   20   21 o  285.387   16.473  1489.07  166.132  1520.12  235.000  1458.04  234.892  288.462   23.049  282.312   23.541 6.149658 32.94595 
1 1 1    3   20   23 o  100.187   15.847  190.394   54.712  191.121   77.511  189.672   77.238  100.380   22.414   99.994   22.409 0.3867035 31.69473 
1 1 1    3   20   25 o  180.715   15.747  602.869   99.820  684.657  141.145  521.032  141.188  193.525   20.635  167.905   23.791 25.61958 31.49327 
1 1 1    3   20   27 o  140.402   13.296  361.356   62.112  356.260  107.103  363.938   76.242  138.858   21.823  141.947   15.197 -3.089310 26.59285 
1 1 1    3   20   29 o  184.035   13.722  635.749   83.251  593.082  143.614  657.344  102.169  177.785   22.855  190.285   15.191 -12.49965 27.44314 
1 1 1    3   20   31 o  155.444   14.461  486.945   69.404  381.443  119.361  540.836   85.308  138.565   25.304  172.322   14.006 -33.75710 28.92214 
1 1 1    3   20   33 o   29.409   8.4898   6.3833   14.011   11.146   18.053  -0.8313   22.219   30.402   11.778   28.416   12.230 1.986265 16.97952 
1 1 1    3   21    0 o   78.050   11.182  112.821   29.787  120.334   42.044  105.251   42.205   80.799   15.282   75.301   16.328 5.498352 22.36428 
1 1 1    3   21    2 o  195.286   10.959  681.857   75.550  719.760  106.817  643.916  106.870  200.781   15.052  189.792   15.932 10.98946 21.91765 
1 1 1    3   21    4 o   54.762   17.886   51.855   39.823   51.855   39.823   0.0000   0.0000   54.762   17.886  ?   ?       ?      ? 
1 1 1    3   21    6 o  206.230   10.826  762.827   78.437  666.810  110.865  859.057  110.987  193.044   16.249  219.417   14.311 -26.37206 21.65259 
1 1 1    3   21    8 o  158.200   10.803  447.753   60.313  475.509   85.261  419.952   85.329  163.168   14.784  153.231   15.755 9.937439 21.60557 
1 1 1    3   21   10 o  357.932   12.168  2299.06  153.796  2187.24  217.457  2410.96  217.544  349.091   17.624  366.772   16.781 -17.68192 24.33592 
1 1 1    3   21   12 o  220.381   10.967  869.101   85.410  849.872  120.645  888.422  120.933  217.910   15.664  222.852   15.353 -4.942612 21.93398 
1 1 1    3   21   14 o  258.872   13.792  1192.10  119.689  1260.93  207.155  1157.61  146.642  263.626   22.233  254.118   16.327 9.507202 27.58349 
1 1 1    3   21   16 o  339.863   17.171  2109.96  206.224  2066.92  291.704  2152.97  291.585  336.279   24.543  343.447   24.021 -7.168091 34.34147 
1 1 1    3   21   18 o  203.802   22.128  756.532  159.395  756.532  159.395   0.0000   0.0000  203.802   22.128  ?   ?       ?      ? 
1 1 1    3   21   20 o   77.994   21.316  114.422   60.435  114.422   60.435   0.0000   0.0000   77.994   21.316  ?   ?       ?      ? 
1 1 1    3   21   22 o  196.453   15.732  707.740  109.226  715.949  154.079  699.448  154.861  197.660   22.055  195.246   22.441 2.413757 31.46447 
1 1 1    3   21   24 o   90.757   15.700  157.818   50.118  176.604   70.751  138.896   71.005   96.294   21.348   85.219   23.027 11.07440 31.40081 
1 1 1    3   21   26 o   66.659   12.422   89.817   30.390   49.592   52.000  110.683   37.452   56.151   20.346   77.166   14.257 -21.01519 24.84374 
1 1 1    3   21   28 o   86.451   13.786  137.969   39.614  165.033   67.657  123.850   48.867   92.270   21.192   80.632   17.638 11.63840 27.57165 
1 1 1    3   21   30 o  149.203   13.543  419.041   67.254  416.771  115.770  420.198   82.626  147.337   22.231  151.070   15.475 -3.733109 27.08666 
1 1 1    3   21   32 o   78.102   15.381  123.513   44.028  119.955   61.529  127.247   63.029   77.003   21.685   79.201   21.819 -2.197517 30.76208 
1 1 1    3   22    1 o  355.353   12.075  2264.22  151.658  2256.92  214.424  2271.52  214.530  354.773   17.100  355.933   17.053 -1.159576 24.14994 
1 1 1    3   22    3 o  143.169   16.417  384.478   78.851  487.775  111.478  281.056  111.545  164.613   19.160  121.725   26.665 42.88826 32.83472 
1 1 1    3   22    5 o  211.665   10.955  801.619   81.937  819.506  115.830  783.702  115.922  214.059   15.310  209.271   15.672 4.787994 21.90914 
1 1 1    3   22    7 o  470.344   13.315  3982.19  221.342  4029.74  312.966  3934.60  313.084  473.207   18.712  467.481   18.949 5.726410 26.63073 
1 1 1    3   22    9 o  232.100   13.703  964.218  106.290  992.568  183.962  950.011  130.227  233.915   22.251  230.285   16.000 3.629959 27.40627 
1 1 1    3   22   11 o  118.748   15.924  263.978   64.387  265.743   91.081  262.216   91.032  119.171   22.448  118.325   22.591 0.8466492 31.84721 
1 1 1    3   22   13 o  210.418   15.725  805.802  116.822  763.892  165.225  847.698  165.197  204.783   22.828  216.053   21.633 -11.26974 31.45002 
1 1 1    3   22   15 o  433.538   16.105  3442.73  231.769  3468.10  283.868  3391.98  401.404  438.372   18.321  428.704   26.491 9.667358 32.20959 
1 1 1    3   22   17 o  155.365   11.184  437.650   60.579  518.144   85.562  356.743   85.781  170.064   14.235  140.665   17.254 29.39896 22.36792 
1 1 1    3   22   19 f  240.066   11.459  1041.89   96.718  1161.77  136.690  921.682  136.871  254.217   15.213  225.915   17.141 28.30190 22.91852 
1 1 1    3   22   21 o  221.026   11.060  881.462   86.353  847.763  121.982  915.316  122.263  216.708   15.926  225.344   15.351 -8.636658 22.11953 
1 1 1    3   22   23 o  242.985   13.165  1039.60  108.012  953.754  132.122  1212.60  187.554  229.346   16.299  256.624   20.678 -27.27849 26.32948 
1 1 1    3   22   27 o   97.063   16.058  185.631   54.105  186.073   76.033  185.178   77.009   97.234   22.560   96.891   22.857 0.3437424 32.11573 
1 1 1    3   22   29 o  184.732   15.741  664.406  101.843  568.157  143.606  761.795  144.453  169.956   23.907  199.508   20.486 -29.55243 31.48299 
1 1 1    3   22   31 o  105.375   16.205  228.807   58.708  203.985   82.438  254.350   83.625   98.812   23.872  111.939   21.921 -13.12682 32.40985 
1 1 1    3   23    0 o  367.817   12.114  2430.98  157.279  2572.80  222.389  2289.06  222.464  378.731   16.614  356.904   17.636 21.82742 24.22854 
1 1 1    3   23    2 o  165.724   13.119  486.179   73.031  521.151  126.261  468.596   89.527  169.688   21.052  161.760   15.659 7.928711 26.23728 
1 1 1    3   23    4 o  264.699   13.705  1249.51  121.472  1309.15  210.288  1219.64  148.810  268.561   22.154  260.836   16.141 7.724152 27.41071 
1 1 1    3   23    6 o  374.949   17.604  2571.48  233.254  2623.55  329.966  2519.48  329.776  378.872   24.641  371.026   25.147 7.846039 35.20753 
1 1 1    3   23    8 o  144.201   15.222  377.615   77.575  381.742  109.640  373.478  109.776  145.014   21.391  143.388   21.661 1.626526 30.44318 
1 1 1    3   23   10 o   75.388   13.175  108.210   33.687  113.792   41.254   97.039   58.359   78.348   15.447   72.427   21.347 5.920593 26.34961 
1 1 1    3   23   12 o  152.949   10.878  420.103   58.752  439.592   82.932  400.467   83.244  156.572   14.986  149.326   15.772 7.246323 21.75649 
1 1 1    3   23   14 o  187.349   10.956  630.937   72.505  655.143  102.390  606.592  102.685  191.020   15.166  183.679   15.817 7.341064 21.91290 
1 1 1    3   23   16 o  144.519   10.454  377.007   52.920  318.747   74.598  436.028   75.083  133.046   15.864  155.992   13.618 -22.94550 20.90733 
1 1 1    3   23   18 o  213.120   10.784  821.979   80.608  705.800  113.792  938.998  114.203  197.648   16.289  228.591   14.135 -30.94382 21.56714 
1 1 1    3   23   20 o  148.377   10.645  398.786   55.491  348.375   78.285  449.692   78.667  138.725   15.966  158.029   14.084 -19.30409 21.29059 
1 1 1    3   23   22 o  167.245   10.832  507.355   64.002  490.444   90.383  524.363   90.643  164.382   15.557  170.108   15.076 -5.725555 21.66316 
1 1 1    3   23   24 o  137.957   10.732  348.117   51.992  303.108   73.369  393.519   73.688  128.695   16.130  147.219   14.162 -18.52338 21.46434 
1 1 1    3   23   26 o  111.843   15.419  230.280   60.950   0.0000   0.0000  230.280   60.950  ?   ?   111.843   15.419      ?      ? 
1 1 1    3   23   28 o   73.489   13.134  105.458   36.389   54.704   50.671  159.506   52.290   56.061   20.114   90.917   16.894 -34.85626 26.26788 
1 1 1    3   24    1 f  136.881   15.229  340.848   73.634  354.115  104.189  327.609  104.081  139.618   21.113  134.143   21.952 5.474701 30.45791 
1 1 1    3   24    3 o   57.162   12.957   55.524   30.875   80.148   43.736   31.062   43.592   65.664   18.209   48.661   18.439 17.00351 25.91482 
1 1 1    3   24    5 o  179.726   13.634  604.056   79.987  641.259   98.023  529.920  138.373  189.178   14.660  170.275   22.992 18.90286 27.26826 
1 1 1    3   24    7 o  318.029   11.798  1821.10  132.548  1756.72  187.356  1885.61  187.547  312.298   16.974  323.759   16.390 -11.46085 23.59504 
1 1 1    3   24    9 o  215.155   10.945  831.919   83.188  801.413  117.554  862.520  117.737  211.140   15.752  219.170   15.199 -8.030121 21.88932 
1 1 1    3   24   11 o  105.886   10.674  201.559   39.922  208.918   56.284  194.108   56.635  107.870   14.763  103.901   15.422 3.968414 21.34890 
1 1 1    3   24   13 o  277.921   11.366  1393.48  111.565  1332.58  157.717  1454.48  157.837  271.718   16.423  284.124   15.717 -12.40598 22.73190 
1 1 1    3   24   15 o  113.375   10.880  232.340   43.480  249.686   61.141  214.592   61.844  117.767   14.689  108.982   16.055 8.784325 21.76093 
1 1 1    3   24   17 o  156.094   10.703  440.192   59.027  425.021   83.294  455.497   83.661  153.340   15.369  158.849   14.901 -5.508896 21.40669 
1 1 1    3   24   19 o   67.490   11.406   86.779   27.317  110.777   38.283   61.882   38.993   77.077   14.587   57.902   17.540 19.17513 22.81297 
1 1 1    3   24   21 o   70.010   11.571   93.220   28.130   98.433   39.256   87.718   40.330   72.128   15.833   67.892   16.879 4.236610 23.14262 
1 1 1    3   24   23 o  149.918   10.657  415.952   55.406  325.425   78.071  507.810   78.643  132.727   16.642  167.109   13.315 -34.38133 21.31317 
1 1 1    3   24   25 o   31.106   8.9519   7.2364   15.699   14.504   19.993  -4.4507   25.353   32.898   12.483   29.314   12.835 3.583845 17.90373 
1 1 1    3   24   27 o   87.842   13.678  156.016   40.250  138.085   68.889  165.309   49.595   81.614   22.932   94.069   14.917 -12.45545 27.35652 
1 1 1    3   25    0 o  184.061   22.013  619.623  143.205  619.623  143.205   0.0000   0.0000  184.061   22.013  ?   ?       ?      ? 
1 1 1    3   25    2 o  101.272   16.479  197.004   58.318  241.774   81.886  150.925   83.074  113.446   21.202   89.098   25.234 24.34790 32.95885 
1 1 1    3   25    4 o   50.413   10.290   31.483   21.606   88.200   36.578   1.0882   26.777   68.722   15.436   32.105   13.610 36.61678 20.57948 
1 1 1    3   25    6 o  212.998   13.900  839.944   97.546  783.156  168.807  868.413  119.522  206.310   23.150  219.686   15.393 -13.37592 27.80050 
1 1 1    3   25    8 o  149.695   10.785  403.533   57.055  408.930   80.467  398.077   80.911  150.728   15.104  148.661   15.399 2.066772 21.57001 
1 1 1    3   25   10 o  144.177   10.848  375.527   55.123  406.776   77.835  344.085   78.076  150.333   14.649  138.022   16.005 12.31139 21.69655 
1 1 1    3   25   12 o   90.910   11.690  154.712   36.155  192.944   50.991  116.060   51.272  103.560   13.931   78.260   18.776 25.29999 23.38008 
1 1 1    3   25   14 o  148.988   10.725  401.483   56.475  402.174   79.747  400.788   79.989  149.124   15.130  148.850   15.204 0.2738953 21.44957 
1 1 1    3   25   16 o  202.527   10.926  746.211   77.930  673.869  110.041  818.999  110.380  192.398   16.182  212.655   14.686 -20.25783 21.85244 
1 1 1    3   25   18 o   92.409   11.949  163.808   37.253  219.558   52.532  107.410   52.836  110.127   13.496   74.691   19.723 35.43629 23.89843 
1 1 1    3   25   20 f  184.990   11.266  632.550   73.061  720.725  103.236  544.071  103.413  198.506   14.714  171.475   17.063 27.03087 22.53114 
1 1 1    3   25   22 o   35.210   8.6914   19.539   13.753   28.140   19.100   10.277   19.820   39.405   12.338   31.015   12.245 8.389935 17.38284 
1 1 1    3   25   24 o   69.138   10.509   91.201   25.693   59.537   35.689  125.270   37.019   55.680   16.761   82.595   12.681 -26.91460 21.01789 
1 1 1    3   26    1 o  122.360   16.613  286.653   69.654  359.948   98.158  212.310   98.857  140.303   19.794  104.417   26.686 35.88655 33.22581 
1 1 1    3   26    3 o  171.868   10.705  533.281   64.884  491.250   91.397  575.987   92.128  164.908   15.681  178.829   14.576 -13.92136 21.40901 
1 1 1    3   26    5 o   50.060   10.519   36.767   19.552   20.848   23.396   73.621   35.599   37.499   13.638   62.620   16.019 -25.12054 21.03862 
1 1 1    3   26    7 o  100.573   14.838  190.235   52.075  145.015   72.362  238.810   74.999   86.804   23.158  114.341   18.558 -27.53785 29.67639 
1 1 1    3   26    9 f  246.174   16.389  1131.04  142.547  1162.72  201.257  1099.15  201.928  249.850   22.790  242.497   23.560 7.352386 32.77893 
1 1 1    3   26   11 o   91.122   13.489  157.177   40.679  150.078   69.911  160.811   50.019   88.044   22.409   94.200   15.023 -6.156540 26.97888 
1 1 1    3   26   13 o   46.653   10.012   39.451   18.040   33.510   25.045   45.858   26.008   43.631   14.181   49.676   14.137 -6.044975 20.02367 
1 1 1    3   26   15 o   96.855   11.059  174.595   36.674  149.254   51.680  200.301   52.052   88.718   17.101  104.993   14.027 -16.27472 22.11790 
1 1 1    3   26   17 o  130.786   10.956  315.516   50.390  349.952   71.157  280.876   71.369  138.265   14.561  123.306   16.376 14.95896 21.91297 
1 1 1    3   26   19 o  159.324   11.104  471.948   62.299  515.576   87.987  428.088   88.221  167.103   14.898  151.546   16.471 15.55724 22.20855 
1 1 1    3   26   21 o  132.835   10.888  329.634   51.092  317.032   72.051  342.380   72.459  130.157   15.662  135.513   15.128 -5.356079 21.77553 
1 1 1    3   27    0 o   64.143   14.304   74.300   37.740  101.934   52.267   44.198   54.552   73.110   19.757   55.176   20.689 17.93423 28.60725 
1 1 1    3   27    2 o   88.092   10.996  143.298   33.382  128.139   46.940  158.810   47.483   82.478   16.676   93.705   14.337 -11.22675 21.99142 
1 1 1    3   27    4 o   87.206   10.791  141.918   31.912  106.054   44.761  178.992   45.509   74.746   17.287   99.666   12.919 -24.91994 21.58144 
1 1 1    3   27    6 o  182.792   10.879  607.780   70.283  611.183   99.225  604.354   99.568  183.329   15.313  182.254   15.457 1.075531 21.75802 
1 1 1    3   27    8 o   62.003   11.117   72.899   24.502   82.006   34.500   63.632   34.803   65.872   15.136   58.135   16.287 7.737541 22.23449 
1 1 1    3   27   10 o   66.147   13.263   89.534   34.053  113.435   41.226   38.205   60.414   77.489   15.593   54.804   21.458 22.68488 26.52537 
1 1 1    3   27   12 o  142.084   15.750  385.689   79.077  393.023  111.586  378.289  112.080  143.576   21.989  140.591   22.555 2.984711 31.50028 
1 1 1    3   27   14 o  156.802   16.031  476.555   88.739  498.877  125.140  453.978  125.854  160.895   22.006  152.708   23.318 8.186874 32.06176 
1 1 1    3   27   16 o   93.267   13.882  182.203   42.662  130.770   73.338  208.509   52.450   80.116   24.007  106.418   13.945 -26.30194 27.76337 
1 1 1    3   27   18 o   67.776   11.200   89.558   26.558   71.427   37.371  108.057   37.749   60.496   16.852   75.057   14.756 -14.56091 22.39910 
1 1 1    3   28    1 o   70.558   11.176   94.789   27.267   79.845   38.216  110.285   38.916   64.637   16.632   76.478   14.933 -11.84161 22.35170 
1 1 1    3   28    3 o   74.718   10.782  105.185   27.976   77.065   39.256  134.207   39.880   63.468   17.110   85.967   13.125 -22.49854 21.56469 
1 1 1    3   28    5 o   40.234   9.2450   26.312   16.435   44.172   22.800   6.9953   23.711   48.475   13.028   31.994   13.121 16.48159 18.49003 
1 1 1    3   28    7 o   94.723   11.278  168.750   36.665  189.456   51.755  147.890   51.949  101.657   14.404   87.790   17.357 13.86626 22.55568 
1 1 1    3   28    9 o   57.803   10.898   63.811   23.313   83.431   32.927   44.090   33.011   66.174   14.481   49.432   16.292 16.74129 21.79688 
1 1 1    3   28   11 o  116.234   10.792  251.887   43.920  213.387   61.952  290.789   62.274  106.829   16.408  125.640   14.024 -18.81083 21.58428 
1 1 1    3   28   13 o  104.864   11.270  209.050   40.522  182.100   57.240  236.126   57.374   96.900   17.350  112.827   14.387 -15.92802 22.53945 
1 1 1    3   28   15 o  119.212   14.087  275.304   54.933  298.763   94.600  263.369   67.474  120.409   23.068  118.014   16.176 2.394882 28.17498 
1 1 1    3   29    0 o  112.255   10.815  234.202   42.853  220.277   60.390  248.325   60.818  108.740   15.713  115.769   14.864 -7.028717 21.62906 
1 1 1    3   29    2 o   75.919   11.425  111.496   29.722  119.440   41.828  103.394   42.242   78.914   15.550   72.923   16.743 5.990700 22.84993 
1 1 1    3   29    4 f  121.896   11.949  286.554   48.745  357.420   68.868  215.408   69.004  139.105   14.007  104.687   19.362 34.41836 23.89776 
1 1 1    3   29    6 o   40.101   8.9690   26.063   15.935   47.394   22.481   4.5264   22.590   49.883   12.714   30.320   12.654 19.56296 17.93801 
1 1 1    3   29    8 o   62.389   13.217   77.824   30.903   64.441   53.884   84.384   37.723   59.114   20.792   65.665   16.324 -6.550869 26.43407 
1 1 1    4    0    0 o   34.357   11.271   30.462   21.428   30.462   21.428   30.462   21.428   34.357   15.939   34.357   15.939 -0.000000 0.000000 
1 1 1    4    0    2 o  120.421   11.294  269.618   64.641  269.618   64.641  269.618   64.641  120.421   15.972  120.421   15.972 -0.000000 0.000000 
1 1 1    4    0    4 o  1123.34   22.413 22413.44  1256.23 22413.44  1256.23 22413.44  1256.23  1123.34   31.697  1123.34   31.697 -0.000000 0.000000 
1 1 1    4    0    6 f   21.708   8.3899   11.623   12.982   11.623   12.982   11.623   12.982   21.708   11.865   21.708   11.865 -0.000000 0.000000 
1 1 1    4    0    8 o  200.662   11.089  725.431  109.660  725.431  109.660  725.431  109.660  200.662   15.682  200.662   15.682 -0.000000 0.000000 
1 1 1    4    0   10 o  564.465   14.140  5664.35  397.815  5664.35  397.815  5664.35  397.815  564.465   19.997  564.465   19.997 -0.000000 0.000000 
1 1 1    4    0   12 o  633.404   15.243  7128.31  481.333  7128.31  481.333  7128.31  481.333  633.404   21.557  633.404   21.557 -0.000000 0.000000 
1 1 1    4    0   14 o  257.027   16.390  1197.59  206.632  1197.59  206.632  1197.59  206.632  257.027   23.179  257.027   23.179 -0.000000 0.000000 
1 1 1    4    0   16 o  1199.66   33.653 25713.47  2010.78 25713.47  2010.78 25713.47  2010.78  1199.66   47.593  1199.66   47.593 -0.000000 0.000000 
1 1 1    4    0   18 o  188.738   9.8272  640.044   91.554  640.044   91.554  640.044   91.554  188.738   13.898  188.738   13.898 -0.000000 0.000000 
1 1 1    4    0   20 o  183.616   7.9725  602.779   72.539  602.779   72.539  602.779   72.539  183.616   11.275  183.616   11.275 -0.000000 0.000000 
1 1 1    4    0   22 o  275.354   16.516  1371.50  223.555  1371.50  223.555  1371.50  223.555  275.354   23.357  275.354   23.357 -0.000000 0.000000 
1 1 1    4    0   24 o  894.648   26.981 14332.83  1201.56 14332.83  1201.56 14332.83  1201.56  894.648   38.157  894.648   38.157 -0.000000 0.000000 
1 1 1    4    0   28 o  166.640   16.491  521.865  129.657  521.865  129.657  521.865  129.657  166.640   23.322  166.640   23.322 -0.000000 0.000000 
1 1 1    4    0   30 o  308.790   11.411  1706.38  175.027  1706.38  175.027  1706.38  175.027  308.790   16.138  308.790   16.138 -0.000000 0.000000 
1 1 1    4    0   32 o   46.071   16.908   55.354   50.444   55.354   50.444   55.354   50.444   46.071   23.912   46.071   23.912 -0.000000 0.000000 
1 1 1    4    0   34 o  312.979   11.086  1754.43  172.430  1754.43  172.430  1754.43  172.430  312.979   15.677  312.979   15.677 -0.000000 0.000000 
1 1 1    4    0   36 o   30.378   11.935   22.435   26.767   22.435   26.767   22.435   26.767   30.378   16.879   30.378   16.879 -0.000000 0.000000 
1 1 1    4    0   38 o   43.073   12.902   46.817   28.132   46.817   28.132   46.817   28.132   43.073   18.247   43.073   18.247 -0.000000 0.000000 
1 1 1    4    0   40 o   81.394   18.959  152.304   68.487  152.304   68.487  152.304   68.487   81.394   26.813   81.394   26.813 -0.000000 0.000000 
1 1 1    4    0   42 o  ?   ?  -71.9902   14.081 -71.9902   14.081 -71.9902   14.081  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1    4    1    1 o  718.803   16.050  9152.43  407.713  9000.68  576.592  9304.17  576.595  712.830   22.886  724.776   22.509 -11.94568 32.09960 
1 1 1    4    1    3 o  403.390   12.496  2884.40  177.767  2663.57  251.387  3105.28  251.414  387.900   18.336  418.880   16.982 -30.98026 24.99162 
1 1 1    4    1    5 o  527.344   13.813  4927.48  257.391  5057.83  364.009  4797.13  364.002  534.338   19.274  520.350   19.792 13.98755 27.62633 
1 1 1    4    1    7 o  692.040   16.009  8504.87  391.579  8446.37  553.773  8563.37  553.779  689.648   22.719  694.432   22.562 -4.783142 32.01884 
1 1 1    4    1    9 o  719.246   16.335  9199.21  415.213  9360.43  587.207  9038.00  587.193  725.588   22.897  712.905   23.304 12.68317 32.67036 
1 1 1    4    1   11 o  557.876   20.157  5544.81  397.300  5720.13  561.888  5369.53  561.847  566.766   28.050  548.986   28.956 17.78058 40.31398 
1 1 1    4    1   13 o  609.151   18.850  6762.89  376.988  7091.90  461.717  6104.91  652.952  632.555   20.652  585.747   31.539 46.80853 37.69908 
1 1 1    4    1   15 o  1253.48   34.030 27953.36  1507.66 27953.36  1507.66   0.0000   0.0000  1253.48   34.030  ?   ?       ?      ? 
1 1 1    4    1   17 o  617.193   17.318  6560.96  360.576  6144.77  441.587  7393.65  624.611  588.923   21.215  645.462   27.379 -56.53857 34.63639 
1 1 1    4    1   19 o  999.288   28.999 17833.09  1024.11 17540.56  1448.27 18125.66  1448.35  991.005   41.348  1007.57   40.671 -16.56543 57.99764 
1 1 1    4    1   21 o  995.600   41.054 17739.53  1444.65   0.0000   0.0000 17739.53  1444.65  ?   ?   995.600   41.054      ?      ? 
1 1 1    4    1   23 o  662.077   19.377  7595.52  432.471  7151.51  529.704  8483.18  748.957  634.439   23.622  689.715   30.723 -55.27539 38.75478 
1 1 1    4    1   25 o  176.275   12.143  551.531   75.593  524.734  106.747  578.486  107.064  171.963   17.563  180.588   16.774 -8.625366 24.28630 
1 1 1    4    1   27 o  245.988   9.5432  1073.81   82.921  1029.30  117.116  1118.56  117.422  240.857   13.757  251.120   13.230 -10.26405 19.08633 
1 1 1    4    1   29 o  387.404   14.791  2704.83  190.286  2638.44  329.178  2738.15  233.196  382.899   24.324  391.909   16.835 -9.009827 29.58131 
1 1 1    4    1   31 o  301.047   14.277  1635.41  142.841  1652.22  175.110  1601.98  246.940  304.194   16.287  297.900   23.453 6.294952 28.55369 
1 1 1    4    1   33 o  136.195   13.363  322.396   61.954  373.171  105.490  295.661   76.546  143.888   20.743  128.503   16.854 15.38458 26.72648 
1 1 1    4    1   35 o  159.077   10.267  453.513   57.168  376.982   79.870  533.909   81.862  145.143   15.569  173.011   13.387 -27.86855 20.53342 
1 1 1    4    1   37 o  107.996   12.613  222.541   44.126  183.081   72.286  245.977   55.709   98.645   21.352  117.347   13.432 -18.70230 25.22556 
1 1 1    4    1   39 o  184.054   21.909  619.011  142.527  619.011  142.527   0.0000   0.0000  184.054   21.909  ?   ?       ?      ? 
1 1 1    4    1   41 f  143.733   16.447  383.998   81.349  334.775  109.749  444.018  121.189  132.342   24.360  155.123   22.104 -22.78023 32.89399 
1 1 1    4    2    0 o  665.432   15.508  7843.15  364.724  7944.19  515.800  7742.10  515.794  669.729   21.790  661.136   22.073 8.592468 31.01679 
1 1 1    4    2    2 o  627.237   21.488  6968.92  476.382  6968.92  476.382   0.0000   0.0000  627.237   21.488  ?   ?       ?      ? 
1 1 1    4    2    4 o  395.158   15.136  2742.98  200.135  2842.48  346.614  2693.21  245.125  400.314   24.498  390.002   17.783 10.31235 30.27150 
1 1 1    4    2    6 f  406.291   12.552  2928.11  179.964  2739.17  254.501  3117.08  254.515  393.132   18.316  419.449   17.168 -26.31729 25.10396 
1 1 1    4    2    8 o  253.760   11.099  1141.18   99.543  1129.61  140.777  1152.75  140.774  252.470   15.776  255.049   15.616 -2.579773 22.19815 
1 1 1    4    2   10 o  565.440   14.440  5688.55  287.541  6244.45  406.661  5132.73  406.628  593.254   19.394  537.627   21.399 55.62732 28.88004 
1 1 1    4    2   12 o  185.435   15.450  610.348  101.170  639.744  142.954  580.852  143.199  189.928   21.295  180.941   22.391 8.986679 30.90099 
1 1 1    4    2   14 o  587.328   29.223  6127.51  606.632  6127.51  606.632   0.0000   0.0000  587.328   29.223  ?   ?       ?      ? 
1 1 1    4    2   16 o  210.907   15.547  788.629  115.806  823.330  163.710  753.872  163.840  215.566   21.487  206.248   22.476 9.318146 31.09400 
1 1 1    4    2   18 o  372.746   14.723  2341.42  186.228  2892.99  322.407  2065.25  228.134  403.997   22.579  341.496   18.901 62.50122 29.44590 
1 1 1    4    2   20 o  231.386   10.776  956.282   86.880  770.582  122.696  1143.02  123.037  208.617   16.640  254.156   13.697 -45.53870 21.55228 
1 1 1    4    2   22 o  409.140   12.514  2966.95  180.871  2859.14  255.653  3074.98  255.927  401.677   18.007  416.602   17.381 -14.92465 25.02734 
1 1 1    4    2   24 o  342.310   14.930  2037.01  172.023  2224.33  297.613  1943.03  210.804  353.643   23.810  330.977   18.020 22.66614 29.86078 
1 1 1    4    2   26 o  288.616   16.091  1486.13  163.984  1562.19  231.945  1410.12  231.872  296.069   22.165  281.163   23.333 14.90665 32.18268 
1 1 1    4    2   28 o  252.222   22.484  1139.50  200.436   0.0000   0.0000  1139.50  200.436  ?   ?   252.222   22.484      ?      ? 
1 1 1    4    2   30 o  173.237   14.174  513.766   83.274  623.896  144.074  458.517  102.046  186.318   21.878  160.156   18.027 26.16185 28.34852 
1 1 1    4    2   32 o  295.974   16.685  1585.80  174.499  1548.21  247.118  1623.19  246.442  292.380   23.913  299.568   23.276 -7.187836 33.37045 
1 1 1    4    2   34 o   63.539   19.268   73.169   47.034   0.0000   0.0000   73.169   47.034  ?   ?    63.539   19.268      ?      ? 
1 1 1    4    2   36 o  177.987   21.917  574.587  137.875  574.587  137.875   0.0000   0.0000  177.987   21.917  ?   ?       ?      ? 
1 1 1    4    2   38 o  163.474   21.902  487.085  126.546  487.085  126.546   0.0000   0.0000  163.474   21.902  ?   ?       ?      ? 
1 1 1    4    2   40 o   53.611   15.351   53.006   30.571   53.006   30.571   0.0000   0.0000   53.611   15.351  ?   ?       ?      ? 
1 1 1    4    2   42 o  199.442   22.320  740.026  157.335  740.026  157.335   0.0000   0.0000  199.442   22.320  ?   ?       ?      ? 
1 1 1    4    3    1 o  492.456   19.078  4307.36  331.500  4018.74  468.813  4595.98  468.812  475.874   27.873  509.039   26.057 -33.16409 38.15618 
1 1 1    4    3    3 o  222.107   13.331  870.703   98.799  883.179  171.226  864.477  120.967  223.213   21.703  221.002   15.486 2.211487 26.66216 
1 1 1    4    3    5 o  431.332   15.692  3303.50  225.402  3296.16  390.491  3307.18  276.030  430.668   25.654  431.995   18.078 -1.326874 31.38361 
1 1 1    4    3    7 o  1005.94   20.923 18056.92  743.855 17816.56  1051.96 18297.29  1051.97  999.181   29.788  1012.70   29.390 -13.52112 41.84607 
1 1 1    4    3    9 o  761.882   21.365 10594.89  535.348 11042.68  655.636  9699.07  927.332  788.077   23.538  735.688   35.663 52.38892 42.73077 
1 1 1    4    3   11 o  596.349   14.813  6308.03  312.222  6327.51  441.520  6288.55  441.578  597.273   20.915  595.425   20.983 1.848450 29.62614 
1 1 1    4    3   13 o  541.995   16.439  5083.02  300.104  5619.39  519.765  4814.79  367.562  562.680   26.135  521.310   19.949 41.36908 32.87852 
1 1 1    4    3   15 o  332.532   11.669  1958.70  136.974  1844.87  193.623  2072.75  193.799  322.838   16.969  342.226   16.022 -19.38834 23.33770 
1 1 1    4    3   17 o  460.194   18.110  3776.47  292.175  3225.27  413.121  4328.08  413.274  426.294   27.419  494.095   23.665 -67.80035 36.21910 
1 1 1    4    3   19 o  879.164   22.761 13777.06  665.815 13827.34  815.314 13676.41  1153.62  882.584   26.137  875.743   37.271 6.840881 45.52163 
1 1 1    4    3   21 o  424.410   16.914  3214.45  251.570  2731.37  355.309  3700.07  356.240  392.124   25.637  456.697   22.070 -64.57230 33.82764 
1 1 1    4    3   23 o  787.801   21.877 11501.10  561.344  9905.45  971.948 12299.73  687.620  743.610   36.981  831.993   23.383 -88.38306 43.75356 
1 1 1    4    3   25 o  322.815   17.145  1861.44  194.958  1686.24  275.776  2036.47  275.648  307.467   25.377  338.163   23.063 -30.69672 34.29097 
1 1 1    4    3   27 o  317.499   18.014  1822.84  199.547  1492.31  282.271  2153.04  282.132  288.059   27.725  346.939   23.008 -58.88065 36.02808 
1 1 1    4    3   29 o   94.359   15.043  165.948   49.015  179.596   69.377  152.345   69.260   98.346   20.618   90.372   21.910 7.973480 30.08593 
1 1 1    4    3   31 o  179.313   16.089  574.156  101.967  574.156  101.967   0.0000   0.0000  179.313   16.089  ?   ?       ?      ? 
1 1 1    4    3   33 o   98.738   17.168  186.363   59.851  214.551   80.971  152.413   88.864  107.078   22.126   90.398   26.257 16.68079 34.33634 
1 1 1    4    3   35 o  237.365   16.930  1029.83  141.379  1119.56  197.604  935.733  202.361  248.406   22.507  226.325   25.297 22.08063 33.86018 
1 1 1    4    3   37 o  141.237   16.710  370.233   81.000  375.821  109.082  363.364  120.937  143.812   21.460  138.663   25.620 5.149063 33.42055 
1 1 1    4    3   39 o  269.902   15.180  1329.61  143.277  1089.76  197.865  1594.01  207.743  243.689   22.973  296.116   19.849 -52.42647 30.36017 
1 1 1    4    3   41 o  134.905   21.613  335.663  103.052  335.663  103.052   0.0000   0.0000  134.905   21.613  ?   ?       ?      ? 
1 1 1    4    3   43 o   99.100   16.882  176.560   55.501  143.472   66.814  250.212   99.685   85.863   21.936  112.338   25.668 -26.47485 33.76437 
1 1 1    4    4    0 o  584.071   20.587  6063.35  424.888  6211.67  600.919  5915.06  600.846  591.255   28.756  576.887   29.468 14.36780 41.17339 
1 1 1    4    4    2 o  493.694   19.021  4333.30  331.510  4577.51  468.871  4089.19  468.781  507.686   26.130  479.702   27.649 27.98416 38.04253 
1 1 1    4    4    4 o  393.119   17.489  2756.94  241.602  3096.36  341.736  2417.76  341.616  417.538   23.157  368.699   26.215 48.83905 34.97773 
1 1 1    4    4    6 o  368.315   14.248  2370.70  176.093  2526.81  305.087  2292.71  215.639  377.022   22.895  359.608   16.966 17.41440 28.49587 
1 1 1    4    4    8 o  733.403   19.130  9311.55  473.165 10478.56  819.662  8728.29  579.466  766.148   30.269  700.658   23.399 65.48938 38.25903 
1 1 1    4    4   10 o  227.388   13.104  904.261   99.915  954.804  173.024  878.976  122.382  231.990   21.102  222.785   15.542 9.205185 26.20762 
1 1 1    4    4   12 o  766.982   20.036 10239.89  516.729 11127.41  894.971  9796.09  632.872  790.852   32.018  743.113   24.096 47.73840 40.07188 
1 1 1    4    4   14 o  646.252   18.021  7228.34  392.275  7993.48  679.361  6845.63  480.465  670.969   28.647  621.536   21.871 49.43329 36.04168 
1 1 1    4    4   16 o  114.490   22.105  240.157   86.211   0.0000   0.0000  240.157   86.211  ?   ?   114.490   22.105      ?      ? 
1 1 1    4    4   20 o  781.630   34.561 10892.79  954.786   0.0000   0.0000 10892.79  954.786  ?   ?   781.630   34.561      ?      ? 
1 1 1    4    4   22 o  1009.73   29.148 18333.57  1037.96 16957.74  1467.84 19709.61  1467.95  971.181   42.762  1048.29   39.620 -77.10681 58.29517 
1 1 1    4    4   24 o  354.696   17.048  2240.70  213.594  2150.83  302.065  2330.57  302.069  347.527   24.592  361.865   23.618 -14.33743 34.09634 
1 1 1    4    4   26 o  465.408   17.851  3852.03  293.645   0.0000   0.0000  3852.03  293.645  ?   ?   465.408   17.851      ?      ? 
1 1 1    4    4   28 o  125.605   11.216  278.069   47.368  289.949   81.297  271.963   58.284  127.480   18.043  123.730   13.328 3.749573 22.43160 
1 1 1    4    4   30 o  352.159   16.756  2238.71  208.354  2121.58  293.994  2356.89  295.325  342.723   24.270  361.595   23.108 -18.87207 33.51138 
1 1 1    4    4   32 o  139.490   14.881  350.479   73.311  331.968  102.380  369.959  105.026  135.672   21.350  143.307   20.735 -7.634888 29.76210 
1 1 1    4    4   34 o  270.087   15.638  1321.80  148.914  1206.59  208.918  1440.80  212.316  257.874   22.922  282.301   21.279 -24.42673 31.27628 
1 1 1    4    4   36 o  281.666   23.172  1444.45  230.680  1444.45  230.680   0.0000   0.0000  281.666   23.172  ?   ?       ?      ? 
1 1 1    4    4   38 o  227.979   15.106  943.049  120.983  808.756  165.942  1095.43  176.762  210.411   22.314  245.547   20.367 -35.13617 30.21134 
1 1 1    4    4   40 o  203.469   15.781  757.012  113.079  693.556  152.475  834.570  168.568  194.095   22.226  212.844   22.408 -18.74940 31.56103 
1 1 1    4    4   42 o  195.733   15.472  704.490  106.294  607.752  142.076  827.477  160.196  180.482   22.272  210.984   21.482 -30.50200 30.94426 
1 1 1    4    4   44 o   36.528   13.813   18.115   24.428   18.115   24.428   0.0000   0.0000   36.528   13.813  ?   ?       ?      ? 
1 1 1    4    5    1 o  730.025   23.442  9515.86  604.863  9504.92  855.412  9526.79  855.399  729.601   33.172  730.449   33.133 -0.8479004 46.88450 
1 1 1    4    5    3 o  758.072   24.048 10296.46  642.557 11164.97  908.740  9428.05  908.686  790.485   32.526  725.659   35.429 64.82556 48.09515 
1 1 1    4    5    5 o  503.381   19.273  4516.38  342.892  4503.59  484.863  4529.19  484.983  502.662   27.291  504.100   27.220 -1.437988 38.54533 
1 1 1    4    5    7 o  256.203   15.969  1167.26  144.445  1229.14  204.235  1105.33  204.317  263.039   21.968  249.366   23.182 13.67303 31.93720 
1 1 1    4    5    9 o  386.408   17.401  2652.50  237.629  2606.40  335.933  2698.67  336.182  383.031   24.814  389.785   24.402 -6.754486 34.80244 
1 1 1    4    5   11 o  434.552   18.440  3344.67  283.223   0.0000   0.0000  3344.67  283.223  ?   ?   434.552   18.440      ?      ? 
1 1 1    4    5   15 o  477.974   26.579  4053.39  449.024   0.0000   0.0000  4053.39  449.024  ?   ?   477.974   26.579      ?      ? 
1 1 1    4    5   17 o  122.757   22.148  275.271   92.561   0.0000   0.0000  275.271   92.561  ?   ?   122.757   22.148      ?      ? 
1 1 1    4    5   19 o  222.669   15.450  884.855  120.391  742.067  170.210  1027.81  170.308  204.516   23.547  240.822   20.009 -36.30649 30.90009 
1 1 1    4    5   21 o  950.667   28.488 16202.38  956.966 16623.22  1352.97 15781.06  1353.74  963.203   39.742  938.131   40.827 25.07159 56.97636 
1 1 1    4    5   23 o  339.222   16.163  2049.59  193.164  1855.48  272.561  2245.47  273.794  322.963   23.878  355.482   21.791 -32.51868 32.32658 
1 1 1    4    5   25 o  504.498   19.541  4558.01  348.396  4636.13  492.208  4479.57  493.207  508.895   27.365  500.101   27.903 8.794006 39.08249 
1 1 1    4    5   27 o  233.618   22.382  977.404  184.809   0.0000   0.0000  977.404  184.809  ?   ?   233.618   22.382      ?      ? 
1 1 1    4    5   29 o  469.218   18.233  3986.60  301.675  3674.16  426.005  4300.88  427.263  450.339   26.764  488.097   24.767 -37.75784 36.46525 
1 1 1    4    5   31 o  141.085   21.315  358.610  106.286  358.610  106.286   0.0000   0.0000  141.085   21.315  ?   ?       ?      ? 
1 1 1    4    5   33 o   99.292   17.261  188.926   60.761  224.242   82.694  147.489   89.575  109.477   22.132   89.106   26.494 20.37063 34.52195 
1 1 1    4    5   35 o  167.897   16.688  517.244   98.114  581.027  136.597  449.268  141.016  179.077   21.581  156.716   25.459 22.36179 33.37514 
1 1 1    4    5   37 o  118.950   17.919  272.001   74.192  327.092  100.723  206.655  109.698  134.128   21.247  103.773   28.860 30.35462 35.83749 
1 1 1    4    5   39 o  275.373   17.335  1405.92  168.167  1502.93  235.097  1304.26  240.648  285.727   23.280  265.019   25.691 20.70767 34.66963 
1 1 1    4    5   41 o  135.960   15.597  335.718   72.143  270.538   93.329  432.487  113.718  118.839   23.051  153.081   21.018 -34.24186 31.19475 
1 1 1    4    5   43 o   66.914   15.168   60.379   34.270   42.139   38.088  137.940   78.540   50.099   17.488   83.729   24.788 -33.63023 30.33654 
1 1 1    4    6    0 o  444.916   16.492  3579.92  242.152  3346.80  419.468  3696.44  296.558  433.352   27.387  456.479   18.381 -23.12711 32.98309 
1 1 1    4    6    2 o  777.711   24.597 10850.72  674.862 11602.99  954.375 10098.38  954.423  805.081   33.540  750.342   35.988 54.73828 49.19419 
1 1 1    4    6    4 f  504.023   27.278  4527.23  485.939   0.0000   0.0000  4527.23  485.939  ?   ?   504.023   27.278      ?      ? 
1 1 1    4    6    6 o  1240.71   49.330 27863.41  2163.25   0.0000   0.0000 27863.41  2163.25  ?   ?   1240.71   49.330      ?      ? 
1 1 1    4    6   12 o  915.085   38.464 14924.78  1244.04 14924.78  1244.04   0.0000   0.0000  915.085   38.464  ?   ?       ?      ? 
1 1 1    4    6   14 o  897.141   27.356 14354.55  866.369 15165.78  1225.04 13542.82  1225.42  922.734   37.562  871.548   39.781 51.18561 54.71245 
1 1 1    4    6   16 o  280.625   12.944  1384.60  121.503  1424.94  210.259  1364.37  148.878  283.584   20.977  277.666   15.170 5.918579 25.88793 
1 1 1    4    6   18 o  254.685   22.408  1150.30  201.707   0.0000   0.0000  1150.30  201.707  ?   ?   254.685   22.408      ?      ? 
1 1 1    4    6   20 f  577.758   16.760  5837.22  298.495  6110.50  596.831  5746.06  344.703  585.996   28.816  569.521   17.124 16.47546 33.52040 
1 1 1    4    6   22 o  967.127   21.743 16887.29  696.173 16144.37  1205.46 17259.07  852.757  949.198   35.932  985.055   24.493 -35.85651 43.48554 
1 1 1    4    6   24 f  147.564   12.071  378.818   55.154  402.769  109.936  370.762   63.758  150.460   20.673  144.667   12.469 5.793243 24.14224 
1 1 1    4    6   26 o  183.984   15.212  604.898   98.911  591.809  139.190  618.251  140.582  181.961   21.643  186.007   21.384 -4.045685 30.42464 
1 1 1    4    6   28 o  350.794   16.334  2218.62  201.604  1975.08  284.478  2464.35  285.750  331.076   24.311  370.511   21.820 -39.43457 32.66728 
1 1 1    4    6   30 o  181.837   14.958  595.281   95.966  551.606  134.925  639.996  136.521  174.980   21.816  188.694   20.470 -13.71429 29.91635 
1 1 1    4    6   32 o  181.318   14.438  594.745   91.604  494.896  128.314  698.528  130.817  165.464   21.941  197.171   18.772 -31.70691 28.87504 
1 1 1    4    6   34 o  302.719   15.101  1671.55  158.781  1311.15  222.689  2044.26  226.461  268.518   23.464  336.919   19.017 -68.40121 30.20298 
1 1 1    4    6   36 o  300.123   15.749  1642.35  166.206  1441.99  232.951  1850.10  237.207  280.968   23.458  319.277   21.020 -38.30951 31.49799 
1 1 1    4    6   38 o  100.771   16.964  194.756   59.277  202.254   78.960  185.073   89.728  103.301   22.281   98.240   25.587 5.061470 33.92882 
1 1 1    4    6   40 o  172.051   14.401  538.773   85.659  401.052  115.801  705.188  127.294  147.342   22.236  196.760   18.304 -49.41792 28.80103 
1 1 1    4    6   42 f   74.090   16.213  103.273   45.605  102.345   56.938  104.933   76.170   73.120   20.954   75.061   24.747 -1.940536 32.42678 
1 1 1    4    6   44 o  233.591   24.749  1076.42  204.334   0.0000   0.0000  1076.42  204.334  ?   ?   233.591   24.749      ?      ? 
1 1 1    4    7    1 o  870.458   26.938 13495.86  828.761   0.0000   0.0000 13495.86  828.761  ?   ?   870.458   26.938      ?      ? 
1 1 1    4    7    3 o  751.604   33.772 10097.06  897.162   0.0000   0.0000 10097.06  897.162  ?   ?   751.604   33.772      ?      ? 
1 1 1    4    7    5 o  399.290   24.924  2832.97  351.738   0.0000   0.0000  2832.97  351.738  ?   ?   399.290   24.924      ?      ? 
1 1 1    4    7    7 o  1085.11   30.827 21096.69  1182.14 21515.59  1671.91 20677.90  1671.68  1096.04   43.159  1074.19   44.030 21.83960 61.65479 
1 1 1    4    7    9 o  472.035   15.655  3890.49  247.951  4135.72  429.434  3767.86  303.688  482.818   25.165  461.252   18.628 21.56686 31.30927 
1 1 1    4    7   11 o  672.776   22.095  8044.47  525.285  7852.53  742.677  8236.60  743.053  664.701   31.612  680.851   30.878 -16.14984 44.19018 
1 1 1    4    7   13 o  584.512   17.879  6091.18  347.261  5965.42  601.374  6154.10  425.342  579.597   29.356  589.426   20.417 -9.828491 35.75788 
1 1 1    4    7   15 o  278.605   13.370  1381.41  123.847  1354.69  214.349  1394.79  151.738  276.470   21.936  280.741   15.292 -4.270416 26.74001 
1 1 1    4    7   17 o  705.025   18.324  8747.18  396.976  8982.82  793.865  8668.61  458.405  710.506   31.612  699.544   18.540 10.96198 36.64818 
1 1 1    4    7   19 o  651.116   16.499  7508.82  379.696   0.0000   0.0000  7508.82  379.696  ?   ?   651.116   16.499      ?      ? 
1 1 1    4    7   21 o  327.681   12.904  1953.74  127.692  1808.04  255.155  2002.43  147.490  319.015   22.629  336.347   12.407 -17.33243 25.80723 
1 1 1    4    7   23 o  655.424   17.502  7671.44  350.536  7637.93  700.862  7682.62  404.805  652.981   30.368  657.867   17.410 -4.885681 35.00409 
1 1 1    4    7   25 o  330.993   14.573  1943.35  161.197  1989.98  278.945  1919.97  197.515  333.453   23.668  328.534   17.010 4.919067 29.14645 
1 1 1    4    7   27 o  233.535   15.644  978.792  129.100  955.038  182.153  1002.77  183.001  230.652   22.344  236.418   21.900 -5.765762 31.28706 
1 1 1    4    7   29 o  357.773   15.989  2324.66  199.518  1893.75  281.438  2760.03  282.891  323.537   24.611  392.008   20.418 -68.47052 31.97815 
1 1 1    4    7   31 o  256.070   15.476  1186.16  139.604  1072.88  196.709  1301.10  198.159  243.483   22.858  268.658   20.869 -25.17509 30.95128 
1 1 1    4    7   33 o  212.888   15.663  821.039  117.844  810.616  165.560  831.742  167.774  211.520   22.145  214.256   22.155 -2.736313 31.32516 
1 1 1    4    7   35 o  221.028   15.749  887.529  123.004  863.903  171.754  912.406  176.241  218.005   22.291  224.051   22.256 -6.046051 31.49898 
1 1 1    4    7   37 o   79.266   14.434  113.309   40.574   86.714   52.442  152.971   64.042   68.503   20.249   90.028   20.576 -21.52522 28.86839 
1 1 1    4    7   39 o  212.422   15.350  828.528  114.960  752.241  159.848  910.258  165.453  202.045   22.384  222.799   21.011 -20.75385 30.70008 
1 1 1    4    7   41 o   34.388   10.423   5.4065   19.335   13.689   20.981 -41.2490   49.796   33.267   12.748   35.509   16.494 -2.241432 20.84629 
1 1 1    4    7   43 o  108.132   16.912  230.014   62.311  209.814   81.513  258.414   96.651  102.798   23.009  113.466   24.793 -10.66759 33.82452 
1 1 1    4    7   45 o   30.526   12.112   9.8029   19.482   9.8029   19.482   0.0000   0.0000   30.526   12.112  ?   ?       ?      ? 
1 1 1    4    8    0 o  392.577   24.800  2738.14  344.113  2738.14  344.113   0.0000   0.0000  392.577   24.800  ?   ?       ?      ? 
1 1 1    4    8    2 o  549.267   20.062  5366.86  389.455  5315.81  550.857  5417.87  550.688  546.638   28.511  551.896   28.231 -5.258301 40.12352 
1 1 1    4    8    4 o  563.708   16.809  5640.24  315.638  5634.16  546.660  5643.28  386.590  563.093   27.467  564.323   19.382 -1.229919 33.61731 
1 1 1    4    8    6 o  118.391   10.806  245.831   42.837  255.030   74.114  241.217   52.493  120.011   17.473  116.770   12.719 3.241325 21.61160 
1 1 1    4    8    8 o  964.732   23.642 16548.36  759.927 16576.13  1316.16 16534.46  930.743  964.291   38.617  965.174   27.284 -0.8821411 47.28308 
1 1 1    4    8   10 o  579.146   17.400  5925.31  336.381  6015.15  582.569  5880.37  412.003  582.109   28.315  576.182   20.231 5.927307 34.80031 
1 1 1    4    8   12 o  688.071   19.247  8296.18  443.884  8732.35  768.781  8078.04  543.662  701.037   31.027  675.105   22.784 25.93243 38.49430 
1 1 1    4    8   14 o  1064.58   25.884 20279.98  915.778 19928.32  1586.05 20455.85  1121.64  1056.13   42.489  1073.03   29.575 -16.89893 51.76885 
1 1 1    4    8   16 o  1074.95   27.225 20588.07  975.719 20761.55  1689.90 20501.32  1195.04  1076.53   44.414  1073.38   31.500 3.151489 54.45010 
1 1 1    4    8   18 o  1369.97   37.883 33945.67  1834.33 33895.14  2594.22 33996.19  2594.05  1368.93   53.617  1371.02   53.532 -2.088989 75.76627 
1 1 1    4    8   20 o  618.348   18.114  6761.67  374.253  6926.78  648.048  6679.05  458.427  623.323   29.415  613.373   21.146 9.949951 36.22719 
1 1 1    4    8   22 o  221.303   12.932  859.993   88.081  889.348  176.004  850.184  101.737  223.539   22.277  219.066   13.140 4.472824 25.86308 
1 1 1    4    8   24 o  452.742   15.517  3743.26  212.261  3497.97  424.303  3825.14  245.140  441.366   27.199  464.117   14.944 -22.75027 31.03418 
1 1 1    4    8   26 o  281.906   13.255  1404.40  114.914  1450.43  229.608  1389.01  132.734  284.228   22.856  279.585   13.432 4.642303 26.51080 
1 1 1    4    8   28 o  691.198   17.922  8498.88  415.849  9128.60  719.981  8183.65  509.412  707.700   28.784  674.696   21.362 33.00354 35.84486 
1 1 1    4    8   30 o  183.922   16.811  618.778  107.735  731.270  151.795  504.597  152.931  201.374   21.327  166.470   25.992 34.90337 33.62188 
1 1 1    4    8   32 o  147.046   14.239  403.592   68.668  265.884   95.910  548.420   98.358  119.043   23.629  175.048   15.898 -56.00508 28.47897 
1 1 1    4    8   34 o   79.016   13.719  115.171   38.600   83.306   52.532  152.567   56.909   67.537   20.337   90.496   18.419 -22.95953 27.43752 
1 1 1    4    8   36 f   41.239   11.529   18.161   24.264   27.241   28.751  -4.3094   45.230   42.257   15.153   40.221   17.380 2.035900 23.05803 
1 1 1    4    8   38 o   91.461   15.639  154.359   49.433  129.364   63.688  192.238   78.401   82.523   21.588  100.399   22.635 -17.87624 31.27885 
1 1 1    4    8   40 o  203.306   15.194  763.186  108.639  665.561  149.642  871.985  157.974  189.205   22.377  217.407   20.559 -28.20251 30.38720 
1 1 1    4    8   42 o  104.343   25.933  219.004   95.223   0.0000   0.0000  219.004   95.223  ?   ?   104.343   25.933      ?      ? 
1 1 1    4    9    1 o  240.384   15.694  1113.26  118.991  1265.25  145.693  808.769  206.212  267.364   15.418  213.404   27.340 53.96016 31.38715 
1 1 1    4    9    3 o  487.257   18.955  4214.53  326.439  4210.51  461.531  4218.55  461.778  487.024   26.812  487.490   26.801 -0.4657288 37.91002 
1 1 1    4    9    5 o  511.068   19.350  4636.15  349.517  4640.89  494.165  4631.39  494.418  511.331   27.343  510.804   27.385 0.5270691 38.69903 
1 1 1    4    9    7 f  621.247   18.733  6835.29  388.082  6885.27  672.128  6810.30  475.319  622.542   30.547  619.953   21.692 2.588745 37.46535 
1 1 1    4    9    9 o  769.633   19.406 10394.04  500.304 10879.49  866.485 10151.26  612.768  782.473   31.331  756.794   22.909 25.67834 38.81264 
1 1 1    4    9   11 o  658.304   22.197  7704.42  516.200  7980.19  729.863  7428.43  730.171  670.161   30.814  646.446   31.957 23.71564 44.39318 
1 1 1    4    9   13 o  782.749   21.412 10821.94  560.083 11099.16  970.026 10683.30  685.983  789.510   34.762  775.989   25.011 13.52014 42.82488 
1 1 1    4    9   15 o  269.258   13.380  1278.69  120.351  1302.21  208.289  1266.90  147.459  270.999   21.746  267.517   15.595 3.482361 26.76015 
1 1 1    4    9   17 o  1318.50   31.031 31973.85  1343.52 29062.73  2326.84 33429.80  1645.55  1268.21   51.910  1368.78   34.014 -100.5699 62.06154 
1 1 1    4    9   19 o  678.938   31.733  8230.84  761.495   0.0000   0.0000  8230.84  761.495  ?   ?   678.938   31.733      ?      ? 
1 1 1    4    9   21 o  609.224   16.740  6448.54  315.677  6952.33  631.264  6280.55  364.529  623.576   28.642  594.871   17.338 28.70459 33.48060 
1 1 1    4    9   23 o  210.834   13.219  783.634   93.345  815.630  161.438  767.564  114.410  213.797   21.364  207.871   15.572 5.925934 26.43702 
1 1 1    4    9   25 o  342.167   13.845  2081.49  145.237  2115.51  290.339  2070.14  167.731  343.060   23.945  341.273   13.906 1.787109 27.68988 
1 1 1    4    9   27 o  198.333   11.743  676.152   72.553  758.156  144.898  648.713   83.817  205.617   19.938  191.049   12.413 14.56798 23.48619 
1 1 1    4    9   29 o  501.519   14.992  4396.63  233.108  4822.32  466.018  4254.57  269.208  514.989   25.603  488.050   15.606 26.93915 29.98424 
1 1 1    4    9   31 o  163.149   15.092  481.067   86.972  460.089  122.444  502.428  123.558  159.494   21.721  166.803   20.958 -7.309021 30.18307 
1 1 1    4    9   33 o  386.791   17.317  2732.06  236.371  2552.91  333.477  2912.95  335.087  373.653   25.251  399.929   23.706 -26.27588 34.63489 
1 1 1    4    9   35 o   71.517   21.809   93.781   60.134   0.0000   0.0000   93.781   60.134  ?   ?    71.517   21.809      ?      ? 
1 1 1    4    9   37 o   68.160   22.427   82.415   62.565   0.0000   0.0000   82.415   62.565  ?   ?    68.160   22.427      ?      ? 
1 1 1    4    9   43 o   91.605   22.637  169.437   72.870  169.437   72.870   0.0000   0.0000   91.605   22.637  ?   ?       ?      ? 
1 1 1    4   10    0 o  225.469   11.151  899.691   88.864  901.483  125.617  897.896  125.728  225.695   15.747  225.244   15.793 0.4503937 22.30215 
1 1 1    4   10    2 o  474.966   13.351  3994.91  224.124  3973.13  316.918  4016.70  317.000  473.668   18.930  476.263   18.832 -2.594910 26.70180 
1 1 1    4   10    4 o  1058.00   21.227 19882.16  793.768 19727.78  1122.51 20036.57  1122.61  1053.87   30.136  1062.13   29.904 -8.257202 42.45486 
1 1 1    4   10    6 o  1069.46   30.621 20424.58  1157.46 20474.82  1636.74 20374.32  1637.06  1070.79   43.247  1068.13   43.363 2.660767 61.24265 
1 1 1    4   10    8 o  415.165   17.667  3058.10  259.061  2926.09  366.215  3190.34  366.522  406.162   25.510  424.169   24.448 -18.00696 35.33379 
1 1 1    4   10   10 o  120.977   15.779  264.710   65.889  290.295   92.976  238.898   93.388  128.005   20.551  113.949   23.949 14.05663 31.55725 
1 1 1    4   10   12 o  666.260   19.609  7903.72  434.716  7827.90  752.873  7941.64  532.443  663.281   32.115  669.239   22.510 -5.958618 39.21795 
1 1 1    4   10   14 o  562.755   17.295  5626.95  324.124  5606.35  561.281  5637.25  397.010  561.558   28.279  563.952   19.918 -2.394470 34.58934 
1 1 1    4   10   16 o  1371.92   32.127 33946.99  1465.40 33622.18  2538.02 34109.42  1794.79  1362.75   52.694  1381.08   36.768 -18.32947 64.25360 
1 1 1    4   10   18 o  650.161   18.546  7514.13  401.978  7559.97  696.109  7491.20  492.370  650.855   30.260  649.467   21.449 1.387756 37.09119 
1 1 1    4   10   20 o  454.414   18.530  3667.56  297.612   0.0000   0.0000  3667.56  297.612  ?   ?   454.414   18.530      ?      ? 
1 1 1    4   10   22 f  645.782   19.324  7507.03  414.971  7432.62  718.612  7544.25  508.283  641.612   31.688  649.953   22.126 -8.341064 38.64871 
1 1 1    4   10   24 o  254.804   12.979  1133.16  111.355  1242.80  192.602  1078.11  136.478  263.516   20.679  246.093   15.691 17.42215 25.95818 
1 1 1    4   10   26 o   88.247   11.171  132.341   30.310  162.118   60.231  122.242   35.075   93.542   18.869   82.952   11.963 10.58987 22.34163 
1 1 1    4   10   28 o  130.138   11.389  280.284   46.899  354.055   93.534  255.507   54.206  140.461   18.841  119.815   12.800 20.64596 22.77749 
1 1 1    4   10   30 o   60.531   12.504   67.623   25.865   0.0000   0.0000   67.623   25.865  ?   ?    60.531   12.504      ?      ? 
1 1 1    4   10   36 o  117.890   22.566  262.435   90.602  262.435   90.602   0.0000   0.0000  117.890   22.566  ?   ?       ?      ? 
1 1 1    4   10   38 o   92.963   22.121  165.651   71.631  165.651   71.631   0.0000   0.0000   92.963   22.121  ?   ?       ?      ? 
1 1 1    4   10   40 o  192.651   15.208  692.807  103.053  606.904  142.780  786.224  148.892  179.715   22.478  205.586   20.491 -25.87120 30.41610 
1 1 1    4   10   42 o   68.607   12.740   75.885   32.143   37.483   39.387  152.458   55.617   48.489   17.686   88.725   18.341 -40.23557 25.47946 
1 1 1    4   10   44 o   67.743   16.061   92.718   46.325  111.246   58.505   61.578   75.848   73.807   21.266   61.679   24.073 12.12735 32.12102 
1 1 1    4   11    1 o  247.951   11.264  1088.17   98.689  1061.90  139.523  1114.47  139.612  244.952   16.116  250.950   15.740 -5.997803 22.52706 
1 1 1    4   11    3 o  381.265   12.481  2573.50  168.179  2606.81  237.807  2540.18  237.874  383.738   17.534  378.793   17.767 4.944794 24.96211 
1 1 1    4   11    5 o  116.611   10.835  240.683   44.643  246.881   63.070  234.460   63.200  118.118   15.107  115.104   15.535 3.014153 21.66947 
1 1 1    4   11    7 o  736.712   19.949  9612.67  490.258  9709.95  849.062  9564.01  600.473  738.933   32.510  734.491   23.131 4.442078 39.89877 
1 1 1    4   11    9 o  435.944   18.475  3377.16  284.161  3604.98  401.733  3149.04  401.997  450.740   25.217  421.147   27.006 29.59232 36.94916 
1 1 1    4   11   11 o  648.440   21.908  7481.09  502.058  7601.12  709.839  7360.95  710.196  653.680   30.724  643.199   31.240 10.48120 43.81660 
1 1 1    4   11   13 o  756.125   23.304 10206.11  621.296  9393.73  878.382 11019.46  878.908  725.711   34.245  786.539   31.616 -60.82861 46.60781 
1 1 1    4   11   15 o  326.422   16.775  1893.30  193.504  1928.78  273.424  1857.70  273.888  329.504   23.478  323.340   23.966 6.163300 33.54943 
1 1 1    4   11   17 o  325.317   14.631  1924.59  156.532  1752.25  270.941  2010.94  191.775  313.808   24.428  336.826   16.109 -23.01794 29.26147 
1 1 1    4   11   19 o  702.060   22.951  8853.89  569.492  8929.58  805.463  8778.24  805.304  705.109   32.320  699.012   32.595 6.096497 45.90235 
1 1 1    4   11   21 o  513.328   17.084  4829.50  288.200  4399.94  498.994  5044.51  353.036  494.478   28.551  532.178   18.769 -37.70007 34.16813 
1 1 1    4   11   23 o  602.187   18.119  6613.56  360.854  6306.01  624.832  6767.48  442.019  589.385   29.995  614.989   20.335 -25.60437 36.23824 
1 1 1    4   11   25 o  230.235   14.694  944.225  119.573   0.0000   0.0000  944.225  119.573  ?   ?   230.235   14.694      ?      ? 
1 1 1    4   11   27 o  312.668   17.206  1749.90  190.143   0.0000   0.0000  1749.90  190.143  ?   ?   312.668   17.206      ?      ? 
1 1 1    4   11   29 o  253.327   22.714  1162.71  203.378   0.0000   0.0000  1162.71  203.378  ?   ?   253.327   22.714      ?      ? 
1 1 1    4   11   31 o  200.952   12.859  690.851   87.691  854.298  151.755  608.917  107.445  217.615   19.730  184.289   16.496 33.32605 25.71750 
1 1 1    4   11   33 f  148.063   14.334  399.207   73.994  321.472  103.448  480.642  105.881  132.898   22.023  163.229   18.353 -30.33035 28.66796 
1 1 1    4   11   35 o  153.539   15.381  430.659   83.452  424.909  116.654  436.687  119.435  152.516   21.640  154.563   21.863 -2.047302 30.76171 
1 1 1    4   11   37 o   59.562   13.016   57.195   29.389   39.498   36.007   92.510   50.866   49.000   17.009   70.124   19.706 -21.12417 26.03149 
1 1 1    4   11   39 o   86.929   15.483  143.368   47.311  122.182   62.309  172.212   72.703   79.610   21.596   94.248   22.192 -14.63818 30.96613 
1 1 1    4   11   41 o  127.665   14.851  310.740   63.984  227.653   86.244  412.453   95.423  106.761   23.493  148.569   18.172 -41.80708 29.70111 
1 1 1    4   11   43 o   49.342   12.871   35.888   27.524   28.299   32.730   54.218   50.866   43.024   16.046   55.659   20.130 -12.63514 25.74255 
1 1 1    4   12    0 o  394.353   12.324  2753.35  171.755  2708.62  242.846  2798.11  242.951  391.143   17.566  397.563   17.290 -6.419891 24.64765 
1 1 1    4   12    2 o  496.172   13.753  4361.64  241.089  4503.52  340.914  4219.70  340.989  504.264   19.128  488.079   19.766 16.18430 27.50616 
1 1 1    4   12    4 o  835.321   17.956 12380.17  530.123 12260.79  749.649 12499.57  749.765  831.277   25.515  839.364   25.273 -8.087097 35.91270 
1 1 1    4   12    6 o  1407.94   26.933 35362.60  1340.25 35329.11  1895.34 35396.10  1895.46  1407.27   38.106  1408.61   38.072 -1.345337 53.86552 
1 1 1    4   12    8 o  929.948   23.285 15485.81  719.170 15137.18  1245.51 15660.18  880.845  920.833   38.269  939.062   26.539 -18.22845 46.57079 
1 1 1    4   12   10 o  711.940   19.707  8965.42  468.569  9150.19  811.497  8873.00  573.908  716.734   32.034  707.146   22.962 9.588440 39.41356 
1 1 1    4   12   12 f  138.264   12.036  344.690   54.973  321.394   95.041  356.403   67.390  134.627   19.974  141.902   13.437 -7.275635 24.07269 
1 1 1    4   12   14 o  348.573   14.660  2142.73  170.818  2198.66  295.742  2114.73  209.253  351.728   23.789  345.418   17.140 6.310883 29.32088 
1 1 1    4   12   16 o  139.797   14.915  354.605   71.039  291.087  100.085  419.095  100.848  125.933   23.346  153.661   18.569 -27.72826 29.82979 
1 1 1    4   12   18 o  455.170   18.124  3706.72  291.009  3438.92  411.261  3975.27  411.838  438.504   26.535  471.836   24.695 -33.33197 36.24888 
1 1 1    4   12   22 o  497.193   27.386  4470.96  481.257   0.0000   0.0000  4470.96  481.257  ?   ?   497.193   27.386      ?      ? 
1 1 1    4   12   24 o  127.158   21.148  290.530   95.045   0.0000   0.0000  290.530   95.045  ?   ?   127.158   21.148      ?      ? 
1 1 1    4   12   26 o  169.615   15.448  519.385   92.515  493.264  130.929  545.432  130.742  165.261   22.415  173.968   21.263 -8.706940 30.89604 
1 1 1    4   12   28 o  288.110   14.105  1494.70  135.368  1497.75  234.257  1493.17  165.864  287.405   23.061  288.816   16.248 -1.410980 28.21031 
1 1 1    4   12   30 o  247.209   13.664  1106.80  112.252  1085.36  194.043  1117.58  137.615  244.557   22.449  249.861   15.583 -5.304276 27.32740 
1 1 1    4   12   32 o  220.749   13.652  824.121  102.506  1105.74  176.974  681.941  125.748  247.045   20.268  194.453   18.296 52.59244 27.30486 
1 1 1    4   12   34 o  365.819   16.324  2473.68  207.823  1985.74  292.896  2968.40  294.926  327.865   25.275  403.772   20.666 -75.90744 32.64856 
1 1 1    4   12   36 o   72.774   13.443   98.053   35.741   67.995   48.741  133.014   52.568   61.541   19.762   84.008   18.228 -22.46674 26.88531 
1 1 1    4   12   38 f   38.055   10.822   7.5143   24.688   31.144   29.361 -49.5092   45.612   43.790   15.351   32.321   15.258 11.46910 21.64371 
1 1 1    4   12   40 o  148.189   14.835  419.776   73.406  301.277  100.318  556.351  107.697  123.299   23.882  173.080   17.605 -49.78109 29.66991 
1 1 1    4   12   42 o  130.927   17.057  349.310   77.114  362.099  106.904  335.438  111.342  135.282   22.358  126.572   25.765 8.709610 34.11306 
1 1 1    4   13    1 o  1058.20   21.614 19920.54  807.992 20632.75  1142.63 19208.21  1142.72  1077.25   30.010  1039.16   31.113 38.08826 43.22734 
1 1 1    4   13    3 o  527.185   14.032  4924.93  261.456  4942.40  369.705  4907.44  369.803  528.124   19.806  526.247   19.882 1.876526 28.06380 
1 1 1    4   13    5 f  427.822   12.906  3242.55  195.143  3290.08  275.930  3195.00  276.019  430.966   18.115  424.677   18.389 6.288452 25.81294 
1 1 1    4   13    7 o  969.519   20.147 16730.00  689.527 17680.64  975.102 15779.22  975.175  997.263   27.664  941.774   29.296 55.48871 40.29393 
1 1 1    4   13    9 o  595.317   17.668  6231.86  352.044  6100.22  431.064  6495.51  610.042  586.454   20.796  604.180   28.568 -17.72595 35.33546 
1 1 1    4   13   11 o  288.532   11.476  1476.21  116.879  1387.95  165.209  1564.66  165.374  279.868   16.702  297.195   15.744 -17.32703 22.95229 
1 1 1    4   13   13 o  255.358   14.054  1175.73  118.609  1105.05  205.263  1211.16  145.327  249.293   23.296  261.424   15.728 -12.13092 28.10835 
1 1 1    4   13   15 o  492.091   19.377  4302.45  337.009   0.0000   0.0000  4302.45  337.009  ?   ?   492.091   19.377      ?      ? 
1 1 1    4   13   17 o  186.193   21.614  618.188  142.241   0.0000   0.0000  618.188  142.241  ?   ?   186.193   21.614      ?      ? 
1 1 1    4   13   19 o   63.395   19.200   72.133   46.726   0.0000   0.0000   72.133   46.726  ?   ?    63.395   19.200      ?      ? 
1 1 1    4   13   23 o  115.144   14.193  248.424   54.640  158.785   76.677  340.902   77.881   92.073   23.487  138.214   15.943 -46.14089 28.38667 
1 1 1    4   13   25 o  245.380   13.610  1125.40  108.591  961.695  187.895  1207.50  133.064  230.571   23.056  260.188   14.470 -29.61700 27.22065 
1 1 1    4   13   27 o  218.498   13.379  852.070   97.732  878.803  169.149  838.674  119.741  220.452   21.709  216.544   15.645 3.907303 26.75895 
1 1 1    4   13   29 o   93.547   13.030  184.348   39.047   98.960   67.153  227.965   47.994   73.952   23.131  113.142   12.002 -39.18939 26.05929 
1 1 1    4   13   31 o  163.758   11.973  466.071   61.028  516.985  121.607  448.932   70.556  168.901   20.371  158.615   12.586 10.28575 23.94502 
1 1 1    4   13   33 o   51.910   11.908   40.652   25.112   71.666   41.516   22.756   31.536   62.248   17.908   41.572   15.700 20.67591 23.81590 
1 1 1    4   13   35 o  115.446   12.718  235.999   44.931  267.250   88.000  224.980   52.256  118.906   21.740  111.987   13.202 6.919106 25.43505 
1 1 1    4   13   37 f  170.663   15.504  542.100   93.480  521.586  130.634  563.629  133.826  167.289   22.094  174.038   21.756 -6.748444 31.00719 
1 1 1    4   13   39 o   77.516   16.109  118.411   47.105  127.600   62.551  106.376   71.592   80.623   21.541   74.408   23.957 6.215805 32.21735 
1 1 1    4   13   41 o  107.617   14.090  222.908   51.510  143.011   68.648  325.856   77.924   83.630   22.660  131.604   16.753 -47.97317 28.18065 
1 1 1    4   14    0 o  204.210   10.861  738.778   78.323  773.224  110.684  704.230  110.848  208.990   14.984  199.430   15.726 9.559601 21.72182 
1 1 1    4   14    2 o  668.235   15.599  7922.10  368.420  7861.09  520.958  7983.15  521.090  665.652   22.143  670.819   21.978 -5.167419 31.19842 
1 1 1    4   14    4 o  326.471   11.174  1892.51  128.396  1692.69  181.479  2092.77  181.679  309.135   16.610  343.807   14.951 -34.67184 22.34747 
1 1 1    4   14    6 o  1045.02   21.107 19458.26  779.439 19925.48  1102.24 18990.95  1102.35  1057.67   29.485  1032.36   30.211 25.30249 42.21488 
1 1 1    4   14    8 o  971.007   24.330 16751.50  789.109 16538.34  966.352 17178.10  1367.07  963.581   28.374  978.432   39.531 -14.85095 48.66038 
1 1 1    4   14   10 o  964.263   25.176 16877.29  802.724 16039.44  1390.22 17296.34  983.180  943.587   41.685  984.938   28.243 -41.35101 50.35179 
1 1 1    4   14   12 o  789.437   24.742 11194.06  690.367 11217.72  976.368 11170.41  976.286  790.285   34.955  788.590   35.027 1.694641 49.48494 
1 1 1    4   14   14 o  419.801   25.445  3148.69  377.543   0.0000   0.0000  3148.69  377.543  ?   ?   419.801   25.445      ?      ? 
1 1 1    4   14   16 o   79.313   14.637  116.317   41.577  104.575   58.701  128.137   58.898   75.497   21.153   83.130   20.236 -7.633209 29.27344 
1 1 1    4   14   18 o  194.175   13.357  685.971   85.522  636.280  147.966  710.899  104.800  188.415   22.219  199.935   14.830 -11.51985 26.71391 
1 1 1    4   14   20 o  345.991   15.008  2150.63  172.831  2141.15  299.203  2155.38  211.727  344.520   24.572  347.462   17.240 -2.941956 30.01653 
1 1 1    4   14   22 o  291.000   16.985  1513.80  174.696   0.0000   0.0000  1513.80  174.696  ?   ?   291.000   16.985      ?      ? 
1 1 1    4   14   24 o  290.642   15.976  1531.66  163.308  1357.98  230.627  1706.32  231.280  273.697   23.841  307.588   21.274 -33.89084 31.95253 
1 1 1    4   14   26 o  326.902   16.871  1942.23  194.923  1918.10  275.363  1966.47  275.965  324.819   23.985  328.985   23.733 -4.166199 33.74257 
1 1 1    4   14   28 o  115.445   16.974  253.956   68.588  351.821   96.667  154.736   97.334  139.658   19.583   91.231   27.730 48.42721 33.94760 
1 1 1    4   14   30 o   56.908   11.948   60.802   25.846   41.820   43.950   70.836   31.955   52.137   18.730   61.678   14.839 -9.541374 23.89580 
1 1 1    4   14   32 o   95.852   13.450  174.557   42.137  154.576   72.236  184.863   51.877   90.177   22.684  101.527   14.457 -11.35044 26.89955 
1 1 1    4   14   34 o   53.294   11.669   34.444   26.927   95.574   44.505  -0.8557   33.819   71.205   17.747   35.383   15.155 35.82180 23.33764 
1 1 1    4   14   36 o   81.102   15.474  126.520   45.328  125.509   62.290  127.657   66.085   80.790   21.454   81.414   22.306 -0.6242065 30.94865 
1 1 1    4   14   38 o   90.483   16.720  163.939   54.487  186.708   74.962  138.433   79.338   97.398   22.261   83.569   24.954 13.82909 33.44049 
1 1 1    4   14   40 o  124.421   16.764  314.093   70.955  298.456   97.512  331.691  103.442  121.114   23.628  127.728   23.789 -6.613747 33.52884 
1 1 1    4   15    1 o  216.534   10.370  831.260   79.217  772.109  111.912  890.659  112.146  208.789   15.165  224.278   14.147 -15.48920 20.73968 
1 1 1    4   15    3 o  463.736   15.767  3822.21  243.519  3810.47  421.664  3828.08  298.292  462.817   25.777  464.656   18.163 -1.839661 31.53359 
1 1 1    4   15    5 o  646.552   19.073  7566.26  407.184  7094.92  705.118  7802.07  498.748  630.259   31.654  662.845   21.289 -32.58612 38.14648 
1 1 1    4   15    9 o  341.442   16.877  2076.52  203.654  2109.74  288.027  2043.31  287.992  344.194   23.676  338.690   24.058 5.504181 33.75417 
1 1 1    4   15   11 o  680.088   19.346  8212.15  439.794  8083.92  538.652  8468.57  761.698  673.498   22.628  686.679   31.384 -13.18115 38.69107 
1 1 1    4   15   13 o  311.939   11.569  1729.61  127.502  1672.86  180.219  1786.47  180.412  306.788   16.620  317.090   16.098 -10.30252 23.13816 
1 1 1    4   15   15 o  139.087   13.220  342.243   61.538  353.630  106.395  336.518   75.437  140.615   21.408  137.559   15.516 3.055710 26.43915 
1 1 1    4   15   17 o  264.430   14.141  1273.08  123.367  1188.55  213.535  1315.43  151.144  257.096   23.499  271.763   15.735 -14.66788 28.28108 
1 1 1    4   15   19 o  306.218   17.011  1674.66  184.116   0.0000   0.0000  1674.66  184.116  ?   ?   306.218   17.011      ?      ? 
1 1 1    4   15   21 o  206.798   15.545  771.085  113.616  775.872  160.757  766.307  160.598  207.451   21.925  206.146   22.042 1.304459 31.08908 
1 1 1    4   15   23 o  631.758   18.898  7275.49  397.502  7327.28  688.361  7249.58  486.886  629.991   30.914  633.525   21.744 -3.533325 37.79567 
1 1 1    4   15   25 o  351.463   15.197  2255.89  176.839  2169.53  306.133  2299.14  216.640  344.892   25.113  358.035   17.120 -13.14288 30.39353 
1 1 1    4   15   27 o  279.745   16.708  1427.24  164.819  1533.25  232.833  1320.77  233.348  290.499   22.677  268.991   24.544 21.50818 33.41621 
1 1 1    4   15   29 o  344.483   16.879  2175.19  204.947  1991.14  289.415  2360.31  290.263  329.340   24.863  359.625   22.836 -30.28467 33.75891 
1 1 1    4   15   31 o  264.670   13.673  1230.84  122.226  1408.59  211.495  1141.71  149.768  277.721   21.546  251.619   16.841 26.10196 27.34673 
1 1 1    4   15   33 o  131.891   11.911  293.717   49.719  364.416   98.687  269.668   57.558  141.198   19.775  122.584   13.285 18.61420 23.82274 
1 1 1    4   15   35 o   74.452   13.645  101.696   35.074  122.759   58.937   90.146   43.644   79.973   20.693   68.930   17.793 11.04208 27.29061 
1 1 1    4   15   37 o  106.577   16.089  222.612   58.702  204.460   80.301  243.448   86.030  101.771   22.880  111.383   22.625 -9.612022 32.17771 
1 1 1    4   15   39 o   23.811   7.3195   0.0149   10.569   6.8951   11.485 -38.0458   27.012   24.255   9.3949   23.367   11.226 0.8887920 14.63895 
1 1 1    4   16    0 o  182.388   15.251  591.343   98.305  583.186  139.049  599.494  138.999  181.123   21.721  183.653   21.414 -2.530182 30.50147 
1 1 1    4   16    2 o  347.183   16.953  2146.09  208.026  2135.64  294.212  2156.55  294.174  346.331   24.035  348.036   23.914 -1.704468 33.90567 
1 1 1    4   16    4 o  612.872   18.292  6685.25  373.807  6655.84  457.832  6744.05  647.412  611.790   21.173  613.954   29.835 -2.163696 36.58444 
1 1 1    4   16    6 o  166.089   21.403  490.964  125.642  490.964  125.642   0.0000   0.0000  166.089   21.403  ?   ?       ?      ? 
1 1 1    4   16    8 o  249.721   11.120  1108.05   97.983  1034.44  138.492  1181.81  138.645  241.373   16.234  258.070   15.200 -16.69647 22.23902 
1 1 1    4   16   10 o  231.802   11.137  954.619   91.237  963.418  128.952  945.799  129.104  232.878   15.667  230.726   15.832 2.151978 22.27300 
1 1 1    4   16   12 o  286.304   11.502  1458.40  116.394  1454.78  164.546  1462.03  164.664  285.947   16.281  286.661   16.252 -0.7148438 23.00445 
1 1 1    4   16   14 o  507.388   13.826  4604.81  247.734  4386.11  350.279  4823.67  350.417  495.190   20.013  519.586   19.081 -24.39676 27.65203 
1 1 1    4   16   16 o  274.065   14.091  1335.40  129.129  1377.54  223.506  1314.28  158.204  276.699   22.854  271.431   16.491 5.268097 28.18229 
1 1 1    4   16   18 o  392.654   15.679  2784.80  204.677  2754.54  354.365  2799.94  250.729  389.761   25.724  395.547   17.934 -5.786438 31.35837 
1 1 1    4   16   20 o   45.126   10.689   30.063   19.552   49.296   33.490   20.117   24.083   52.618   16.315   37.634   13.814 14.98380 21.37757 
1 1 1    4   16   22 o  341.751   24.176  2122.10  292.019   0.0000   0.0000  2122.10  292.019  ?   ?   341.751   24.176      ?      ? 
1 1 1    4   16   24 o  409.637   15.653  3000.35  214.816  3169.27  371.996  2915.84  263.122  416.635   25.262  402.639   18.489 13.99548 31.30504 
1 1 1    4   16   26 o   58.534   13.041   60.733   30.297   69.988   43.032   51.636   42.663   61.888   18.354   55.180   18.531 6.708004 26.08207 
1 1 1    4   16   28 o  355.339   15.305  2389.04  176.660  2046.63  305.674  2560.76  216.473  333.189   25.957  377.490   16.225 -44.30093 30.61029 
1 1 1    4   16   30 o  269.314   15.975  1333.60  151.249  1177.52  213.454  1490.99  214.347  252.868   23.883  285.759   21.223 -32.89034 31.94989 
1 1 1    4   16   32 o  193.429   15.850  691.278  108.303  712.485  152.730  669.829  153.599  196.573   21.983  190.284   22.838 6.288773 31.69911 
1 1 1    4   16   34 o  110.649   13.462  214.335   49.897  284.973   85.528  177.888   61.435  124.328   19.463   96.969   18.602 27.35877 26.92300 
1 1 1    4   16   36 o   67.506   13.474   83.955   34.239   57.191   45.513  118.849   51.968   56.668   19.139   78.345   18.970 -21.67707 26.94754 
1 1 1    4   16   38 o   44.747   17.677   24.397   41.325   0.0000   0.0000   24.397   41.325  ?   ?    44.747   17.677      ?      ? 
1 1 1    4   17    1 o  309.989   17.312  1728.84  187.633  2015.91  265.196  1441.11  265.509  336.222   22.316  283.755   26.474 52.46631 34.62472 
1 1 1    4   17    3 o  484.499   16.299  4168.68  263.739  4259.92  456.678  4123.02  323.059  487.662   26.495  481.337   18.989 6.324707 32.59768 
1 1 1    4   17    5 o  383.731   15.187  2590.21  195.463  2746.20  338.457  2512.16  239.426  391.725   24.446  375.737   18.029 15.98816 30.37484 
1 1 1    4   17    7 o  189.794   11.088  641.179   74.228  687.693  104.931  594.589  105.017  196.734   15.091  182.854   16.249 13.88029 22.17580 
1 1 1    4   17    9 o  189.485   10.873  638.649   72.805  651.535  102.897  625.730  103.028  191.412   15.209  187.557   15.542 3.854599 21.74564 
1 1 1    4   17   11 o  284.421   11.560  1441.79  116.152  1387.53  164.206  1496.12  164.323  279.021   16.651  289.822   16.042 -10.80130 23.12093 
1 1 1    4   17   13 o  482.219   13.386  4164.66  227.721  3872.66  321.968  4456.94  322.123  465.080   19.587  499.358   18.251 -34.27859 26.77215 
1 1 1    4   17   15 o  278.393   11.531  1383.57  113.453  1362.86  160.390  1404.30  160.504  276.288   16.425  280.497   16.190 -4.209930 23.06236 
1 1 1    4   17   17 o  494.449   16.944  4438.33  278.396  4385.92  482.057  4464.56  341.013  490.210   27.823  498.689   19.347 -8.479126 33.88820 
1 1 1    4   17   19 o  183.225   13.466  605.009   82.076  597.810  141.942  608.625  100.600  181.884   22.080  184.567   15.421 -2.683136 26.93214 
1 1 1    4   17   21 o   19.947   5.7177   2.9412   6.1610   1.7347   10.011   3.6768   7.8168   20.406   8.4625   19.489   7.6913 0.9174786 11.43546 
1 1 1    4   17   23 o   76.502   17.112  109.079   45.112   0.0000   0.0000  109.079   45.112  ?   ?    76.502   17.112      ?      ? 
1 1 1    4   17   25 o  206.400   13.504  759.510   93.389  798.724  161.591  739.843  114.435  209.696   21.802  203.103   15.941 6.593140 27.00871 
1 1 1    4   17   27 o  347.904   15.349  2275.83  174.338  2006.88  301.609  2410.78  213.645  329.753   25.878  366.055   16.513 -36.30151 30.69789 
1 1 1    4   17   29 o  164.993   13.197  485.079   73.163  522.406  126.462  466.299   89.699  169.068   21.163  160.918   15.771 8.150406 26.39319 
1 1 1    4   17   31 o  144.862   12.471  362.662   61.383  451.541  105.953  317.760   75.309  157.213   19.068  132.510   16.080 24.70297 24.94276 
1 1 1    4   17   33 o  174.980   22.524  573.534  139.298   0.0000   0.0000  573.534  139.298  ?   ?   174.980   22.524      ?      ? 
1 1 1    4   18    0 f  128.383   10.291  292.880   46.696  289.669   65.961  296.106   66.116  127.674   14.617  129.091   14.491 -1.416893 20.58258 
1 1 1    4   18    2 o  168.321   17.163  593.583   84.261  715.983  103.127  347.756  146.148  200.715   14.537  135.927   31.095 64.78775 34.32520 
1 1 1    4   18    4 o  411.466   14.902  2976.62  205.809  2866.17  251.961  3198.06  356.760  400.934   17.780  421.999   23.919 -21.06531 29.80376 
1 1 1    4   18    6 o  369.006   17.609  2453.35  229.398  2585.11  324.244  2321.30  324.594  379.124   24.198  358.888   25.589 20.23502 35.21841 
1 1 1    4   18    8 o  428.799   16.195  3382.86  228.150  3082.58  394.996  3533.19  279.486  412.748   27.076  444.850   17.776 -32.10190 32.38976 
1 1 1    4   18   10 o  261.811   14.058  1230.61  122.458  1220.83  211.978  1235.51  150.024  260.415   23.031  263.208   16.127 -2.793060 28.11535 
1 1 1    4   18   12 f  287.731   11.355  1479.15  115.273  1377.89  162.957  1580.57  163.085  277.767   16.599  297.694   15.500 -19.92725 22.71025 
1 1 1    4   18   14 o  116.771   10.507  243.459   43.281  225.979   61.129  261.030   61.289  112.525   15.370  121.016   14.329 -8.489998 21.01344 
1 1 1    4   18   16 o   74.360   11.276  103.104   28.808  120.644   40.569   85.264   40.914   81.007   14.711   67.714   17.093 13.29342 22.55216 
1 1 1    4   18   18 o   49.471   11.192   41.717   21.341   46.817   36.275   39.017   26.391   52.120   17.073   46.822   14.477 5.297462 22.38487 
1 1 1    4   18   20 o  153.053   13.342  430.847   67.198  394.879  116.164  448.936   82.380  147.603   22.267  158.502   14.705 -10.89902 26.68424 
1 1 1    4   18   22 o  151.378   15.335  417.204   81.453  360.881  115.184  473.543  115.200  140.850   23.138  161.906   20.131 -21.05638 30.66933 
1 1 1    4   18   24 o   45.303   10.165   37.217   18.572   19.411   32.421   45.914   22.657   40.820   15.792   49.785   12.804 -8.965309 20.33058 
1 1 1    4   18   26 o  201.331   13.516  728.178   91.022  753.818  157.392  715.293  111.572  203.193   21.916  199.469   15.826 3.723206 27.03235 
1 1 1    4   18   28 o  177.273   15.564  566.215   97.518   0.0000   0.0000  566.215   97.518  ?   ?   177.273   15.564      ?      ? 
1 1 1    4   18   30 o  175.577   22.090  570.703  137.082   0.0000   0.0000  570.703  137.082  ?   ?   175.577   22.090      ?      ? 
1 1 1    4   18   32 o  211.952   22.701  844.848  170.058   0.0000   0.0000  844.848  170.058  ?   ?   211.952   22.701      ?      ? 
1 1 1    4   18   34 o   59.546   19.057   66.040   45.353   66.040   45.353   0.0000   0.0000   59.546   19.057  ?   ?       ?      ? 
1 1 1    4   18   36 o   79.910   14.450  127.297   41.922   90.499   57.843  168.012   60.844   67.700   21.506   92.120   19.305 -24.41968 28.89984 
1 1 1    4   19    1 o  146.891   10.219  385.325   52.753  337.782   74.507  433.116   74.702  137.711   15.308  156.071   13.542 -18.36000 20.43810 
1 1 1    4   19    3 o  604.250   14.781  6549.96  315.659  6452.17  446.331  6647.81  446.487  599.671   21.058  608.829   20.749 -9.157593 29.56293 
1 1 1    4   19    5 o  355.168   15.719  2345.50  182.135  2489.91  222.987  2056.04  315.698  373.456   16.894  336.879   26.514 36.57639 31.43863 
1 1 1    4   19    7 o  416.905   12.834  3110.40  189.048  3202.55  267.311  3018.19  267.397  423.162   17.873  410.649   18.423 12.51355 25.66806 
1 1 1    4   19    9 o  313.840   14.038  1740.12  147.736  1682.02  180.842  1856.70  256.161  306.807   16.677  320.873   22.587 -14.06619 28.07657 
1 1 1    4   19   11 o  313.892   16.912  1784.59  187.502  1856.24  264.928  1712.68  265.409  320.369   23.397  307.415   24.427 12.95389 33.82435 
1 1 1    4   19   13 o  365.793   17.290  2429.37  223.444  2350.54  315.766  2508.43  316.229  359.694   24.838  371.891   24.058 -12.19769 34.57911 
1 1 1    4   19   15 o  185.194   13.522  641.960   81.419  547.754  140.805  689.280   99.794  173.869   22.913  196.518   14.367 -22.64955 27.04470 
1 1 1    4   19   17 o  277.380   11.317  1379.51  110.680  1268.34  156.445  1490.90  156.605  266.031   16.638  288.729   15.346 -22.69763 22.63474 
1 1 1    4   19   19 o   58.232   12.200   60.137   25.865   67.017   44.464   56.619   31.799   60.988   18.781   55.477   15.577 5.511044 24.40017 
1 1 1    4   19   21 o  240.795   13.865  1105.95  107.461  891.693  185.536  1214.10  131.824  221.029   23.750  260.561   14.314 -39.53166 27.72982 
1 1 1    4   19   23 o  164.234   21.691  491.214  125.914   0.0000   0.0000  491.214  125.914  ?   ?   164.234   21.691      ?      ? 
1 1 1    4   19   25 o  278.359   23.273  1423.32  228.968   0.0000   0.0000  1423.32  228.968  ?   ?   278.359   23.273      ?      ? 
1 1 1    4   19   27 o  270.076   23.237  1348.72  221.816   0.0000   0.0000  1348.72  221.816  ?   ?   270.076   23.237      ?      ? 
1 1 1    4   19   29 o  245.105   16.161  1119.92  139.840  1059.30  197.579  1180.76  197.949  238.108   23.477  252.103   22.215 -13.99553 32.32199 
1 1 1    4   19   31 o  157.486   13.287  457.533   69.841  463.389  120.358  454.560   85.756  157.066   21.681  157.905   15.365 -0.8390808 26.57334 
1 1 1    4   19   33 o  119.632   15.099  280.035   61.361  209.544   85.708  354.159   87.889  101.772   24.184  137.492   18.086 -35.72073 30.19866 
1 1 1    4   19   35 o   62.259   14.277   75.209   35.975   80.006   49.309   69.750   52.604   63.823   19.798   60.696   20.576 3.127705 28.55367 
1 1 1    4   20    0 o   68.010   11.122   86.332   26.471  107.087   37.325   65.329   37.547   76.308   14.366   59.711   16.983 16.59660 22.24447 
1 1 1    4   20    2 f   40.049   9.4015   27.018   15.566   29.417   21.834   24.538   22.200   41.192   13.227   38.907   13.364 2.284866 18.80296 
1 1 1    4   20    4 o  515.221   20.063  4850.63  365.050  5069.29  516.051  4631.62  516.467  527.245   27.692  503.197   29.039 24.04803 40.12654 
1 1 1    4   20    6 o  358.606   12.290  2304.54  155.513  2454.72  219.915  2154.34  219.943  370.456   16.796  346.757   17.946 23.69965 24.57942 
1 1 1    4   20    8 o  157.659   10.480  444.219   58.259  408.875   82.325  479.676   82.457  151.307   15.394  164.011   14.224 -12.70325 20.95966 
1 1 1    4   20   10 o  152.236   10.534  413.834   56.674  407.078   80.069  420.618   80.230  150.980   15.005  153.493   14.789 -2.513321 21.06753 
1 1 1    4   20   12 o  237.447   11.363  1011.02   95.056  1103.44  134.418  918.560  134.442  248.461   15.307  226.432   16.799 22.02945 22.72642 
1 1 1    4   20   14 f  395.545   16.695  2982.27  213.037  3238.61  260.866  2468.98  369.132  424.831   17.373  366.259   28.515 58.57257 33.39067 
1 1 1    4   20   16 o  267.357   15.434  1312.08  142.519  996.185  201.018  1631.36  202.090  233.766   24.330  300.949   18.999 -67.18309 30.86894 
1 1 1    4   20   18 o  255.888   22.926  1191.40  207.351   0.0000   0.0000  1191.40  207.351  ?   ?   255.888   22.926      ?      ? 
1 1 1    4   20   20 o   85.286   17.382  135.528   50.619   0.0000   0.0000  135.528   50.619  ?   ?    85.286   17.382      ?      ? 
1 1 1    4   20   22 o  253.222   22.835  1173.89  204.372   0.0000   0.0000  1173.89  204.372  ?   ?   253.222   22.835      ?      ? 
1 1 1    4   20   24 o   90.166   21.997  154.792   69.477   0.0000   0.0000  154.792   69.477  ?   ?    90.166   21.997      ?      ? 
1 1 1    4   20   26 o  146.458   13.298  399.170   64.093  368.701  110.801  414.493   78.573  141.265   22.192  151.652   14.659 -10.38647 26.59620 
1 1 1    4   20   28 o  186.371   13.343  640.568   82.698  631.646  142.633  645.086  101.499  184.135   21.916  188.608   15.226 -4.472427 26.68592 
1 1 1    4   20   30 o  123.163   16.642  297.622   69.766  313.737   98.119  281.144   99.217  127.025   22.687  119.301   24.354 7.723885 33.28391 
1 1 1    4   20   32 o   35.498   9.3739   14.181   16.028   3.5924   20.561   30.580   25.588   28.879   12.065   42.117   14.350 -13.23863 18.74780 
1 1 1    4   20   34 o  159.355   15.812  508.159   88.576  450.684  124.465  567.136  126.081  149.150   23.610  169.559   21.038 -20.40883 31.62363 
1 1 1    4   21    1 o  212.051   10.869  803.556   81.412  771.550  115.071  835.632  115.197  207.777   15.669  216.324   15.067 -8.547668 21.73779 
1 1 1    4   21    3 o  241.033   22.485  1050.95  191.550  1050.95  191.550   0.0000   0.0000  241.033   22.485  ?   ?       ?      ? 
1 1 1    4   21    5 o  224.419   10.967  900.235   86.991  900.542  122.953  899.928  123.096  224.459   15.498  224.379   15.522 0.8038330E-01 21.93444 
1 1 1    4   21    7 o  218.711   11.019  855.588   85.140  825.118  120.325  886.140  120.487  214.766   15.852  222.656   15.310 -7.890503 22.03806 
1 1 1    4   21    9 o   30.867   7.7803   13.607   10.982   7.0971   15.352   20.430   15.716   27.215   10.767   34.518   11.235 -7.303802 15.56064 
1 1 1    4   21   11 o  196.977   10.690  695.763   74.073  617.564  104.603  774.418  104.908  185.716   15.936  208.239   14.254 -22.52307 21.38034 
1 1 1    4   21   13 o  213.204   13.846  859.595   95.462  712.509  165.028  933.563  117.030  197.854   23.599  228.555   14.487 -30.70116 27.69106 
1 1 1    4   21   15 o  118.666   15.909  263.738   64.283  263.908   90.957  263.569   90.863  118.704   22.503  118.629   22.494 0.7559204E-01 31.81787 
1 1 1    4   21   17 f  208.053   15.676  788.306  115.273  786.450  163.112  790.157  162.928  207.797   22.209  208.308   22.129 -0.5112915 31.35198 
1 1 1    4   21   19 o  169.066   15.228  513.000   90.994  513.000   90.994   0.0000   0.0000  169.066   15.228  ?   ?       ?      ? 
1 1 1    4   21   21 o  209.738   15.841  806.485  117.424  810.774  165.580  802.146  166.550  210.343   22.272  209.133   22.532 1.209732 31.68191 
1 1 1    4   21   23 f  196.041   15.511  707.708  107.296  659.890  151.244  756.159  152.241  189.120   22.627  202.961   21.223 -13.84077 31.02196 
1 1 1    4   21   25 o   53.268   11.874   50.848   24.255   49.525   41.269   51.546   29.979   53.751   18.225   52.785   15.227 0.9652977 23.74869 
1 1 1    4   21   27 o  177.793   13.295  579.351   78.919  595.570  136.487  571.205   96.729  178.426   21.643  177.160   15.448 1.266571 26.59042 
1 1 1    4   21   29 o  126.185   13.961  304.209   56.873  298.567   97.874  307.085   69.881  123.006   23.367  129.364   15.284 -6.357941 27.92120 
1 1 1    4   21   31 o   74.745   12.615  112.868   32.925   85.006   55.461  128.032   40.916   66.113   21.065   83.376   13.884 -17.26322 25.22922 
1 1 1    4   22    0 o   91.258   11.363  152.880   35.459  179.697   50.036  125.823   50.259  100.333   14.110   82.183   17.816 18.15067 22.72678 
1 1 1    4   22    2 o  221.935   13.470  859.276  100.933  978.386  174.683  799.579  123.666  232.633   21.245  211.237   16.564 21.39561 26.93914 
1 1 1    4   22    4 o  217.274   11.211  845.741   85.999  889.734  121.486  801.552  121.757  223.019   15.412  211.530   16.286 11.48914 22.42220 
1 1 1    4   22    6 o   60.887   11.103   68.889   24.061   71.768   33.710   65.899   34.355   62.130   15.423   59.644   15.976 2.486485 22.20568 
1 1 1    4   22    8 o  164.575   13.436  469.744   74.831  550.753  129.465  429.101   91.701  174.488   20.993  154.662   16.775 19.82533 26.87194 
1 1 1    4   22   10 o  372.011   17.677  2532.54  232.038  2368.97  328.185  2696.05  328.117  359.572   25.823  384.451   24.147 -24.87891 35.35445 
1 1 1    4   22   12 o   82.440   15.119  127.866   44.442  123.492   62.777  132.260   62.924   81.065   21.542   83.815   21.220 -2.749748 30.23857 
1 1 1    4   22   14 o   39.166   9.6262   22.896   15.673   18.310   19.281   31.828   26.909   34.717   12.413   43.615   14.717 -8.897835 19.25236 
1 1 1    4   22   16 o   38.286   8.9078   24.015   14.110   16.934   18.979   32.765   21.099   33.902   12.291   42.670   12.897 -8.768414 17.81556 
1 1 1    4   22   18 o  168.160   10.817  508.316   64.290  507.292   90.705  509.349   91.137  167.994   15.276  168.327   15.319 -0.3324890 21.63390 
1 1 1    4   22   20 o  208.734   11.112  785.764   81.979  775.933  115.605  795.708  116.269  207.406   15.770  210.062   15.660 -2.655853 22.22471 
1 1 1    4   22   22 o  144.962   13.272  377.871   64.589  403.188  111.567  365.109   79.214  147.865   21.348  142.059   15.777 5.806000 26.54461 
1 1 1    4   22   24 o  201.639   22.429  759.621  159.848  759.621  159.848   0.0000   0.0000  201.639   22.429  ?   ?       ?      ? 
1 1 1    4   22   26 o   64.901   14.182   78.852   35.770   72.912   48.846   85.722   52.528   62.594   19.750   67.209   20.358 -4.614292 28.36425 
1 1 1    4   22   28 f   68.274   13.195   87.735   31.661  102.223   53.462   79.908   39.293   72.186   20.173   64.361   17.014 7.825150 26.39011 
1 1 1    4   22   30 o  161.392   14.832  540.952   73.645  428.740  126.813  598.055   90.464  143.187   26.016  179.597   14.251 -36.41040 29.66363 
1 1 1    4   23    1 o  328.598   11.978  1940.97  138.818  2082.40  196.206  1799.22  196.430  340.792   16.289  316.404   17.565 24.38828 23.95553 
1 1 1    4   23    3 o  179.077   15.493  581.847   98.053  579.199  137.790  584.563  139.562  178.684   21.818  179.470   22.002 -0.7862701 30.98526 
1 1 1    4   23    5 o  329.754   17.031  1985.24  198.463  1943.98  280.720  2026.47  280.617  326.213   24.347  333.294   23.821 -7.081665 34.06247 
1 1 1    4   23    7 o  176.587   15.377  566.970   95.886  594.882  135.663  539.106  135.543  181.053   21.200  172.121   22.280 8.932129 30.75477 
1 1 1    4   23    9 o  329.557   14.617  1960.51  160.714  1940.40  196.848  2000.72  278.325  328.432   16.958  330.682   23.813 -2.250488 29.23421 
1 1 1    4   23   11 o  375.461   12.269  2542.27  162.578  2384.04  229.695  2701.13  230.145  363.521   17.877  387.401   16.808 -23.87952 24.53797 
1 1 1    4   23   13 o  283.697   11.529  1448.52  115.597  1461.34  163.344  1435.67  163.614  284.981   16.217  282.412   16.391 2.568909 23.05787 
1 1 1    4   23   15 o  173.655   10.626  542.588   65.056  497.890   91.784  587.716   92.225  166.344   15.611  180.966   14.419 -14.62119 21.25121 
1 1 1    4   23   17 o  182.661   10.812  601.087   69.798  593.830   98.480  608.413   98.939  181.540   15.348  183.782   15.232 -2.242279 21.62331 
1 1 1    4   23   19 o  229.600   11.184  953.706   90.695  910.764  127.988  997.017  128.538  224.297   16.145  234.902   15.482 -10.60577 22.36823 
1 1 1    4   23   21 o  150.484   13.379  420.590   66.649  400.875  114.895  430.588   81.823  146.750   22.151  154.217   15.012 -7.466965 26.75875 
1 1 1    4   23   23 o   55.224   11.455   59.066   24.491   33.993   41.162   72.808   30.472   48.264   17.996   62.183   14.179 -13.91832 22.91079 
1 1 1    4   23   25 f  100.330   22.860  199.871   79.257   0.0000   0.0000  199.871   79.257  ?   ?   100.330   22.860      ?      ? 
1 1 1    4   23   27 o   76.659   15.442  118.088   43.902  123.422   61.318  112.477   62.884   78.400   21.489   74.918   22.181 3.482300 30.88323 
1 1 1    4   23   29 o   64.323   13.669   73.709   39.855  140.740   55.600   2.8614   57.161   83.758   19.193   44.887   19.467 38.87083 27.33734 
1 1 1    4   24    0 o  192.893   22.024  677.795  150.151   0.0000   0.0000  677.795  150.151  ?   ?   192.893   22.024      ?      ? 
1 1 1    4   24    2 o  226.309   22.455  934.338  179.610  934.338  179.610   0.0000   0.0000  226.309   22.455  ?   ?       ?      ? 
1 1 1    4   24    4 o  216.852   13.527  852.692   97.490  856.392  119.382  845.285  168.909  218.437   15.463  215.266   22.200 3.170593 27.05466 
1 1 1    4   24    6 o   88.927   10.755  143.900   33.139  140.525   46.509  147.380   47.230   87.191   15.668   90.663   14.739 -3.472137 21.51080 
1 1 1    4   24    8 o  225.433   11.087  913.540   88.326  892.731  124.718  934.478  125.107  222.820   15.836  228.047   15.522 -5.227371 22.17465 
1 1 1    4   24   10 o   96.075   10.546  169.673   34.185  128.634   47.725  212.917   48.991   83.030   16.839  109.121   12.702 -26.09105 21.09261 
1 1 1    4   24   12 o   33.207   8.7490   15.076   13.740   16.262   18.632   13.663   20.341   33.390   12.167   33.024   12.576 0.3664131 17.49809 
1 1 1    4   24   14 o  168.059   10.795  509.137   64.121  506.701   90.469  511.596   90.895  167.655   15.267  168.463   15.266 -0.8082886 21.59007 
1 1 1    4   24   16 o   77.632   11.364  112.853   30.154  106.654   42.154  119.349   43.153   75.355   16.301   79.908   15.839 -4.552963 22.72870 
1 1 1    4   24   18 o  127.542   10.566  298.245   46.516  225.239   65.527  372.409   66.045  111.230   16.668  143.854   12.990 -32.62400 21.13156 
1 1 1    4   24   20 f   53.825   10.754   54.158   21.358   54.107   29.816   54.213   30.608   53.777   15.078   53.872   15.338 -0.9479141E-01 21.50813 
1 1 1    4   24   22 o   51.845   10.959   43.178   21.623   76.062   36.745   25.758   26.744   63.125   16.342   40.566   14.607 22.55938 21.91839 
1 1 1    4   24   24 f   90.932   13.446  161.047   40.436  153.316   69.458  165.010   49.733   87.289   22.401   94.576   14.878 -7.287079 26.89194 
1 1 1    4   24   26 o   59.864   19.476   68.723   47.233   0.0000   0.0000   68.723   47.233  ?   ?    59.864   19.476      ?      ? 
1 1 1    4   25    1 o  319.124   16.744  1875.37  188.623  1765.64  266.189  1986.04  267.322  309.382   24.343  328.866   22.998 -19.48438 33.48885 
1 1 1    4   25    3 o   71.411   11.801   90.117   32.135   37.115   43.574  153.316   47.582   50.415   18.570   92.408   14.568 -41.99257 23.60266 
1 1 1    4   25    5 o  236.082   14.003  1033.75  108.918  959.360  188.197  1071.21  133.558  228.223   23.331  243.941   15.490 -15.71877 28.00524 
1 1 1    4   25    7 o  110.456   11.946  228.262   44.063  289.660   62.117  166.078   62.514  127.037   13.834   93.876   19.479 33.16107 23.89208 
1 1 1    4   25    9 o  410.165   12.849  3057.82  186.265  3034.84  263.285  3080.84  263.551  408.584   18.232  411.745   18.110 -3.160828 25.69745 
1 1 1    4   25   11 o   68.523   10.034   87.162   23.998   57.989   33.543  117.754   34.348   55.954   16.097   81.091   11.984 -25.13653 20.06803 
1 1 1    4   25   13 o  159.148   10.471  457.922   58.765  420.478   82.699  496.112   83.519  152.443   15.349  165.854   14.248 -13.41139 20.94219 
1 1 1    4   25   15 o  245.098   11.322  1092.55   98.075  1103.19  138.552  1081.87  138.845  246.336   15.914  243.860   16.109 2.475784 22.64379 
1 1 1    4   25   17 o  202.674   11.009  749.427   78.789  785.151  111.348  713.604  111.502  207.672   15.170  197.676   15.959 9.996689 22.01867 
1 1 1    4   25   19 o  161.557   10.755  477.983   61.401  465.974   86.599  490.124   87.072  159.458   15.366  163.655   15.053 -4.197495 21.51039 
1 1 1    4   25   21 o  110.393   10.458  225.316   40.427  190.110   56.837  261.367   57.515  101.288   15.877  119.497   13.618 -18.20879 20.91656 
1 1 1    4   25   23 o  118.290   14.451  295.985   53.088  216.982   91.204  336.469   65.289  101.533   25.461  135.048   13.678 -33.51556 28.90256 
1 1 1    4   26    0 o  400.917   18.478  3016.43  261.750  3092.76  369.695  2939.70  370.648  406.349   25.741  395.484   26.516 10.86481 36.95549 
1 1 1    4   26    2 o   60.599   10.516   68.409   22.619   52.350   31.358   85.826   32.657   53.329   15.628   67.869   14.076 -14.53918 21.03254 
1 1 1    4   26    4 o  220.553   13.704  885.549  100.557  876.609  122.884  903.666  174.946  220.145   15.793  220.961   22.401 -0.8164673 27.40856 
1 1 1    4   26    6 o  144.156   14.960  402.260   67.686  428.216   82.635  349.343  117.990  153.926   15.189  134.387   25.779 19.53838 29.92067 
1 1 1    4   26    8 o  214.475   16.100  857.113  122.005  876.364  171.967  837.603  173.120  217.070   22.414  211.880   23.117 5.190689 32.19959 
1 1 1    4   26   10 o  264.738   14.259  1305.35  125.002  1264.00  216.113  1326.15  153.237  259.437   23.568  270.039   16.055 -10.60211 28.51721 
1 1 1    4   26   12 o   52.206   11.840   44.879   24.179   66.465   40.614   33.028   30.093   59.698   17.860   44.713   15.548 14.98528 23.67997 
1 1 1    4   26   14 o  209.355   11.187  802.162   82.756  821.553  116.909  782.687  117.161  211.990   15.603  206.721   16.035 5.268494 22.37387 
1 1 1    4   26   16 o  177.443   10.885  578.263   68.259  568.675   96.340  587.928   96.728  175.922   15.494  178.964   15.292 -3.041962 21.76962 
1 1 1    4   26   18 o  170.764   10.897  539.678   65.691  509.292   92.644  570.406   93.162  165.724   15.817  175.805   14.993 -10.08124 21.79335 
1 1 1    4   26   20 o  111.472   11.861  238.575   44.880  281.396   63.239  195.120   63.705  123.181   14.525   99.764   18.755 23.41769 23.72207 
1 1 1    4   27    1 o  129.453   10.500  305.592   47.454  250.321   66.736  362.122   67.492  117.254   16.103  141.652   13.481 -24.39841 21.00089 
1 1 1    4   27    3 o  100.779   12.319  194.617   41.453  257.426   58.239  130.120   59.017  119.337   13.808   82.221   20.405 37.11520 24.63737 
1 1 1    4   27    5 o  205.706   11.159  771.117   81.123  758.369  114.373  784.023  115.080  203.962   15.866  207.451   15.695 -3.488846 22.31712 
1 1 1    4   27    7 o   67.557   11.629   86.887   27.556   94.254   38.703   79.313   39.244   70.526   15.906   64.588   16.970 5.938156 23.25893 
1 1 1    4   27    9 o  159.982   14.067  493.013   73.332  435.224  126.768  522.078   89.901  150.848   23.777  169.117   15.040 -18.26915 28.13422 
1 1 1    4   27   11 f  157.290   13.310  457.146   69.738  446.732   85.157  478.352  121.518  155.999   15.445  158.581   21.680 -2.581467 26.61919 
1 1 1    4   27   13 o  135.768   15.793  360.638   73.326  305.211  102.924  417.766  104.491  123.135   24.511  148.400   19.922 -25.26476 31.58573 
1 1 1    4   27   15 o   75.343   15.382  113.662   43.253  116.719   60.062  110.368   62.340   76.371   21.396   74.316   22.104 2.055107 30.76303 
1 1 1    4   27   17 o  120.266   12.878  262.787   52.635  327.579   90.724  229.914   64.622  130.107   19.729  110.425   16.557 19.68137 25.75614 
1 1 1    4   28    0 o   93.408   11.317  163.108   36.449  174.199   51.108  151.628   51.998   97.578   14.819   89.237   17.109 8.340965 22.63407 
1 1 1    4   28    2 o  127.568   10.920  299.405   49.106  322.286   69.246  276.257   69.649  132.687   14.766  122.450   16.093 10.23763 21.84049 
1 1 1    4   28    4 o   37.592   9.0176   21.415   15.618   37.922   21.559   3.1838   22.657   45.107   12.883   30.077   12.622 15.03069 18.03524 
1 1 1    4   28    6 o  158.183   10.885  461.603   60.759  431.376   85.695  492.159   86.161  152.765   15.871  163.600   14.901 -10.83498 21.76981 
1 1 1    4   28    8 o   78.795   11.032  117.332   30.089   97.778   42.238  137.480   42.873   71.047   17.040   86.542   14.016 -15.49537 22.06382 
1 1 1    4   28   10 o   27.684   7.7187   7.5334   11.395   13.199   15.298   0.4745   17.077   29.961   11.008   25.407   10.823 4.553431 15.43743 
1 1 1    4   28   12 f  123.630   11.080  286.628   48.219  313.578   67.996  259.365   68.389  129.855   14.815  117.406   16.481 12.44816 22.16078 
1 1 1    4   28   14 o   82.287   13.337  141.317   37.377  105.883   64.494  159.237   45.865   72.031   22.691   92.543   14.022 -20.51222 26.67399 
1 1 1    4   29    1 o   96.420   11.359  176.207   37.856  183.359   53.164  168.851   53.916   99.292   15.149   93.549   16.930 5.743057 22.71796 
1 1 1    4   29    3 o  147.972   10.842  409.216   56.395  360.854   79.457  458.310   80.055  138.685   16.210  157.259   14.403 -18.57362 21.68444 
1 1 1    4   29    5 o   70.201   11.734   97.170   29.037  120.274   40.686   73.186   41.453   79.192   15.087   61.211   17.977 17.98196 23.46890 
1 1 1    4   29    7 o   89.398   14.000  168.578   42.238  124.126   72.099  191.805   52.117   77.348   23.931  101.449   14.535 -24.10143 27.99925 
1 1 1    5    0    1 o   37.549   11.764   35.906   23.287   35.906   23.287   35.906   23.287   37.549   16.637   37.549   16.637 -0.000000 0.000000 
1 1 1    5    0    3 o  367.735   12.192  2407.75  222.987  2407.75  222.987  2407.75  222.987  367.735   17.243  367.735   17.243 -0.000000 0.000000 
1 1 1    5    0    5 o   60.683   17.568   91.128   52.544   91.128   52.544   91.128   52.544   60.683   24.845   60.683   24.845 -0.000000 0.000000 
1 1 1    5    0    7 o  258.367   11.364  1194.99  145.457  1194.99  145.457  1194.99  145.457  258.367   16.071  258.367   16.071 -0.000000 0.000000 
1 1 1    5    0    9 o  484.053   19.157  4195.93  460.179  4195.93  460.179  4195.93  460.179  484.053   27.092  484.053   27.092 -0.000000 0.000000 
1 1 1    5    0   11 o  202.596   16.222  754.319  158.841  754.319  158.841  754.319  158.841  202.596   22.941  202.596   22.941 -0.000000 0.000000 
1 1 1    5    0   13 o  303.547   16.777  1660.75  250.976  1660.75  250.976  1660.75  250.976  303.547   23.726  303.547   23.726 -0.000000 0.000000 
1 1 1    5    0   15 o  277.456   16.546  1391.27  225.710  1391.27  225.710  1391.27  225.710  277.456   23.399  277.456   23.399 -0.000000 0.000000 
1 1 1    5    0   17 o  1723.18   32.286 52899.00  2776.41 52899.00  2776.41 52899.00  2776.41  1723.18   45.659  1723.18   45.659 -0.000000 0.000000 
1 1 1    5    0   19 o  373.452   11.317  2480.32  210.376  2480.32  210.376  2480.32  210.376  373.452   16.005  373.452   16.005 -0.000000 0.000000 
1 1 1    5    0   21 o  421.318   18.227  3180.29  380.558  3180.29  380.558  3180.29  380.558  421.318   25.777  421.318   25.777 -0.000000 0.000000 
1 1 1    5    0   23 o  374.903   12.804  2505.36  238.654  2505.36  238.654  2505.36  238.654  374.903   18.107  374.903   18.107 -0.000000 0.000000 
1 1 1    5    0   25 o  468.552   12.552  3905.81  293.023  3905.81  293.023  3905.81  293.023  468.552   17.752  468.552   17.752 -0.000000 0.000000 
1 1 1    5    0   27 o   49.729   14.068   60.704   33.920   60.704   33.920   60.704   33.920   49.729   19.895   49.729   19.895 -0.000000 0.000000 
1 1 1    5    0   29 f  104.009   14.356  212.675   66.490  212.675   66.490  212.675   66.490  104.009   20.302  104.009   20.302 -0.000000 0.000000 
1 1 1    5    0   31 o  409.015   12.880  2994.13  262.137  2994.13  262.137  2994.13  262.137  409.015   18.215  409.015   18.215 -0.000000 0.000000 
1 1 1    5    0   33 o  233.449   10.656  980.259  123.160  980.259  123.160  980.259  123.160  233.449   15.070  233.449   15.070 -0.000000 0.000000 
1 1 1    5    0   35 o  260.146   16.520  1241.46  210.836  1241.46  210.836  1241.46  210.836  260.146   23.364  260.146   23.364 -0.000000 0.000000 
1 1 1    5    0   37 o  367.666   12.005  2425.48  219.559  2425.48  219.559  2425.48  219.559  367.666   16.978  367.666   16.978 -0.000000 0.000000 
1 1 1    5    0   39 o  109.298   11.315  226.053   57.941  226.053   57.941  226.053   57.941  109.298   16.002  109.298   16.002 -0.000000 0.000000 
1 1 1    5    0   41 o   51.489   13.907   64.399   33.748   64.399   33.748   64.399   33.748   51.489   19.668   51.489   19.668 -0.000000 0.000000 
1 1 1    5    1    0 o  226.844   10.955  910.519   87.837  909.582  124.220  911.456  124.219  226.728   15.501  226.961   15.485 -0.2336884 21.91078 
1 1 1    5    1    2 o  218.092   10.540  841.716   81.239  856.174  114.896  827.262  114.882  219.968   14.778  216.217   15.033 3.750717 21.08051 
1 1 1    5    1    4 o  1027.26   25.285 18690.72  868.174 19238.28  1503.69 18416.93  1063.30  1036.94   41.028  1017.58   29.565 19.36908 50.57046 
1 1 1    5    1    6 o  708.227   20.106  9003.56  472.437  9135.58  578.616  8739.53  818.279  717.097   22.829  699.357   33.104 17.74072 40.21270 
1 1 1    5    1    8 o  607.743   18.521  6650.96  372.730  6792.36  456.500  6368.17  645.587  618.409   20.885  597.078   30.592 21.33093 37.04128 
1 1 1    5    1   10 o  813.346   17.706 11759.83  509.002 11674.78  719.838 11844.89  719.837  810.387   25.132  816.305   24.949 -5.917480 35.41298 
1 1 1    5    1   12 o  566.125   17.711  5715.63  333.204  5769.91  408.090  5607.07  577.125  570.598   20.235  561.652   29.073 8.946045 35.42134 
1 1 1    5    1   14 f  339.454   23.780  2043.02  285.307  2043.02  285.307   0.0000   0.0000  339.454   23.780  ?   ?       ?      ? 
1 1 1    5    1   16 o  1134.49   31.718 23049.61  1267.73 20937.84  1792.73 25161.90  1792.95  1081.82   46.886  1187.16   42.730 -105.3419 63.43618 
1 1 1    5    1   18 o  816.464   17.561 11825.13  506.750 11843.07  716.619 11807.18  716.686  817.086   24.814  815.841   24.854 1.244019 35.12101 
1 1 1    5    1   20 o  895.354   26.848 14241.80  849.615   0.0000   0.0000 14241.80  849.615  ?   ?   895.354   26.848      ?      ? 
1 1 1    5    1   22 o  183.495   15.110  598.173   97.842  558.696  138.267  637.767  138.471  177.400   22.052  189.591   20.664 -12.19081 30.22084 
1 1 1    5    1   24 o  240.368   13.767  1023.03  110.455  1017.17  135.349  1034.73  191.116  239.526   15.988  241.210   22.417 -1.683487 27.53427 
1 1 1    5    1   26 o  260.517   13.443  1209.08  116.672  1211.40  142.982  1204.46  201.829  261.201   15.488  259.834   21.977 1.367279 26.88600 
1 1 1    5    1   28 o   98.984   11.994  178.001   40.856  195.812   57.521  159.867   58.041  104.892   15.515   93.077   18.295 11.81492 23.98847 
1 1 1    5    1   30 o  176.663   11.571  557.133   72.241  563.716  102.001  550.508  102.328  177.724   16.238  175.603   16.487 2.121002 23.14100 
1 1 1    5    1   32 o   78.784   14.820  115.772   42.063  106.818   59.504  124.716   59.470   75.903   21.307   81.664   20.604 -5.761726 29.64032 
1 1 1    5    1   34 o  304.467   16.612  1684.85  178.553  1585.85  251.439  1785.56  253.599  295.225   24.097  313.710   22.872 -18.48492 33.22313 
1 1 1    5    1   36 o  261.425   15.398  1224.00  142.278   0.0000   0.0000  1224.00  142.278  ?   ?   261.425   15.398      ?      ? 
1 1 1    5    1   38 o  218.185   16.192  917.718  113.682  745.093  196.270  1004.87  139.456  200.149   27.745  236.221   16.703 -36.07204 32.38467 
1 1 1    5    1   40 o   39.228   10.458   17.321   17.920   31.486   34.843   12.227   20.895   45.778   16.644   32.679   12.668 13.09896 20.91673 
1 1 1    5    1   42 o   86.632   26.613  145.286   89.347   0.0000   0.0000  145.286   89.347  ?   ?    86.632   26.613      ?      ? 
1 1 1    5    2    1 o  762.896   16.853 10323.05  454.236  9979.34  642.383 10666.78  642.392  750.149   24.228  775.643   23.432 -25.49457 33.70607 
1 1 1    5    2    3 o  661.583   15.349  7764.60  358.647  7427.88  507.200  8101.33  507.208  647.182   22.173  675.983   21.229 -28.80023 30.69742 
1 1 1    5    2    5 o  255.019   13.828  1160.75  117.120  1132.28  202.818  1174.99  143.456  252.494   22.727  257.544   15.760 -5.050446 27.65619 
1 1 1    5    2    7 o  801.286   21.305 11334.42  571.696 11064.64  700.158 11874.11  990.274  788.406   25.126  814.166   34.413 -25.75983 42.60962 
1 1 1    5    2    9 o  685.447   19.591  8327.35  448.382  8244.02  549.164  8493.98  776.591  681.191   22.809  689.703   31.857 -8.512207 39.18111 
1 1 1    5    2   11 o  523.796   16.966  4838.57  297.013  4774.95  363.775  4965.79  514.410  519.027   19.830  528.566   27.535 -9.538574 33.93264 
1 1 1    5    2   13 f  771.273   23.464 10641.50  634.118 12242.81  896.961  9041.49  896.596  829.990   30.576  712.557   35.601 117.4337 46.92860 
1 1 1    5    2   15 o  676.688   21.259  8112.70  508.454  8112.70  508.454   0.0000   0.0000  676.688   21.259  ?   ?       ?      ? 
1 1 1    5    2   17 o  305.849   11.435  1656.04  123.568  1601.02  174.657  1711.19  174.847  300.754   16.431  310.944   15.909 -10.19064 22.87081 
1 1 1    5    2   19 o  594.700   17.673  6232.14  351.346  6141.55  430.273  6413.40  608.652  588.658   20.680  600.743   28.666 -12.08502 35.34681 
1 1 1    5    2   21 o  178.051   21.526  562.368  135.468  562.368  135.468   0.0000   0.0000  178.051   21.526  ?   ?       ?      ? 
1 1 1    5    2   23 o  666.321   19.089  7855.81  425.027  7750.19  520.539  8067.07  736.198  660.469   22.299  672.172   30.988 -11.70313 38.17709 
1 1 1    5    2   25 o  164.570   15.306  482.453   88.976  464.368  126.050  500.412  125.614  161.470   22.087  167.671   21.196 -6.200867 30.61224 
1 1 1    5    2   27 o  478.505   19.293  4084.28  326.286   0.0000   0.0000  4084.28  326.286  ?   ?   478.505   19.293      ?      ? 
1 1 1    5    2   29 o  300.435   16.746  1626.19  177.736  1572.02  251.587  1680.16  251.128  295.338   24.102  305.533   23.255 -10.19492 33.49171 
1 1 1    5    2   31 o  281.235   23.038  1428.95  229.000   0.0000   0.0000  1428.95  229.000  ?   ?   281.235   23.038      ?      ? 
1 1 1    5    2   33 o  391.380   17.566  2788.40  242.925  2865.18  343.984  2712.01  343.113  396.901   24.521  385.859   25.159 11.04279 35.13165 
1 1 1    5    2   35 o  150.775   13.500  401.824   68.527  384.918   84.113  435.194  118.174  146.549   16.239  155.000   21.571 -8.451126 27.00023 
1 1 1    5    2   37 o  288.210   14.486  1501.33  139.309  1489.96  170.768  1523.95  240.867  287.809   16.787  288.611   23.613 -0.8017578 28.97189 
1 1 1    5    2   39 o  186.650   14.303  670.954   85.798  738.752  105.331  537.270  147.907  202.800   14.695  170.501   24.544 32.29912 28.60665 
1 1 1    5    2   41 o  108.553   22.593  225.916   83.865  225.916   83.865   0.0000   0.0000  108.553   22.593  ?   ?       ?      ? 
1 1 1    5    3    0 o  977.649   25.769 17381.67  829.958 16075.62  1437.59 18034.61  1016.47  947.871   42.911  1007.43   28.547 -59.55664 51.53880 
1 1 1    5    3    2 o  480.852   16.060  4081.20  257.944  4166.97  446.720  4038.30  315.935  484.318   26.097  477.385   18.724 6.932465 32.11913 
1 1 1    5    3    4 o  562.145   14.363  5611.73  285.002  5287.14  403.053  5936.32  403.055  545.808   20.893  578.482   19.713 -32.67365 28.72501 
1 1 1    5    3    6 o  414.678   15.025  2971.86  210.075  2794.33  257.304  3326.78  363.815  396.880   18.343  432.477   23.801 -35.59750 30.04921 
1 1 1    5    3    8 o  250.160   13.822  1126.68  114.323  1158.26  140.047  1063.59  197.926  255.681   15.497  244.638   22.891 11.04326 27.64314 
1 1 1    5    3   10 o  616.676   18.335  6711.28  377.906  6900.21  654.668  6616.86  462.798  622.604   29.750  610.748   21.439 11.85590 36.67032 
1 1 1    5    3   12 o  597.943   21.556  6403.85  450.282  5290.48  636.842  7516.90  636.749  545.268   33.045  650.617   27.690 -105.3483 43.11246 
1 1 1    5    3   14 o  984.405   27.578 17198.91  959.517 17198.91  959.517   0.0000   0.0000  984.405   27.578  ?   ?       ?      ? 
1 1 1    5    3   16 o  673.165   22.330  8054.73  531.162  8250.06  751.122  7859.34  751.232  681.376   31.189  664.954   31.964 16.42218 44.65945 
1 1 1    5    3   18 o  527.122   17.235  5053.11  298.585  4580.77  516.888  5289.66  365.789  507.772   28.801  546.473   18.938 -38.70123 34.46967 
1 1 1    5    3   20 o  543.902   17.389  5373.64  311.219  4909.72  538.679  5606.07  381.295  525.378   29.009  562.427   19.181 -37.04889 34.77731 
1 1 1    5    3   22 o  513.667   19.219  4699.85  348.534  4444.00  492.755  4956.00  493.048  499.567   27.907  527.766   26.432 -28.19894 38.43766 
1 1 1    5    3   24 o  693.839   22.658  8646.63  553.657  7811.26  782.932  9482.24  783.047  659.770   33.575  727.907   30.436 -68.13715 45.31693 
1 1 1    5    3   26 o  342.859   15.262  2179.59  170.406  2331.23  208.727  1876.53  295.086  362.167   16.306  323.551   25.804 38.61557 30.52428 
1 1 1    5    3   28 o   67.763   12.567   84.258   29.339   84.039   35.996   84.690   50.638   67.382   15.445   68.144   19.828 -0.7617188 25.13374 
1 1 1    5    3   30 o  454.414   16.475  3659.21  251.481  3942.66  435.195  3517.11  308.136  466.042   26.420  442.786   19.689 23.25598 32.94999 
1 1 1    5    3   32 o  155.762   13.150  432.536   68.505  426.205   83.981  445.126  118.428  154.457   15.383  157.067   21.333 -2.610580 26.30096 
1 1 1    5    3   34 o  136.043   13.217  327.980   60.382  317.357   74.058  349.047  104.290  133.158   15.736  138.928   21.239 -5.770599 26.43302 
1 1 1    5    3   36 o  171.174   13.715  539.279   77.390  559.083   94.897  499.956  133.723  176.670   15.197  165.677   22.836 10.99361 27.43081 
1 1 1    5    3   38 o   76.326   17.039  107.413   49.562  115.260   59.296   89.224   90.280   78.215   21.005   74.437   26.833 3.777664 34.07704 
1 1 1    5    3   40 o  178.563   21.945  587.432  138.498  587.432  138.498   0.0000   0.0000  178.563   21.945  ?   ?       ?      ? 
1 1 1    5    3   42 o   94.813   18.875  188.170   68.837  234.053   85.076  101.182  117.142  110.019   22.634   79.607   30.212 30.41220 37.75016 
1 1 1    5    4    1 o  814.724   25.073 11869.92  721.459 12394.31  1020.36 11345.67  1020.23  832.932   34.660  796.516   36.240 36.41504 50.14586 
1 1 1    5    4    3 o  759.155   21.013 10236.61  532.330 10403.70  922.185 10153.11  651.911  762.664   34.211  755.647   24.409 7.016785 42.02599 
1 1 1    5    4    5 o  630.648   22.159  7119.02  492.757  6563.02  697.015  7674.55  696.714  605.713   32.558  655.583   30.068 -49.87048 44.31820 
1 1 1    5    4    7 o  181.140   13.490  591.083   80.712  556.395  139.910  608.385   98.812  176.964   22.369  185.317   15.086 -8.353012 26.98059 
1 1 1    5    4    9 o  418.576   15.540  3107.23  216.744  3113.77  375.492  3103.97  265.427  418.623   25.378  418.528   17.943 0.9414673E-01 31.08058 
1 1 1    5    4   11 o  596.192   17.241  6190.33  345.354  6673.04  598.269  5949.08  422.936  612.980   27.614  579.403   20.653 33.57758 34.48278 
1 1 1    5    4   13 o  863.778   26.154 13289.12  798.459 13341.93  1128.93 13236.26  1129.46  865.511   36.904  862.046   37.070 3.464355 52.30743 
1 1 1    5    4   15 o  431.999   18.176  3311.31  277.391  3425.71  392.246  3196.86  392.335  439.493   25.251  424.505   26.149 14.98822 36.35108 
1 1 1    5    4   17 o  283.246   22.837  1422.36  228.628   0.0000   0.0000  1422.36  228.628  ?   ?   283.246   22.837      ?      ? 
1 1 1    5    4   21 o  198.388   18.150  727.014  118.882  952.012  167.852  500.546  168.400  231.654   20.501  165.122   29.958 66.53191 36.30087 
1 1 1    5    4   23 o  412.128   15.464  2908.19  215.692  3399.60  373.119  2661.56  264.335  437.052   24.154  387.204   19.315 49.84778 30.92735 
1 1 1    5    4   25 o  339.659   17.891  2069.38  213.811  2285.60  301.699  1851.21  303.056  357.760   23.860  321.558   26.665 36.20181 35.78132 
1 1 1    5    4   27 o  243.272   13.916  1109.02  109.662  917.879  189.297  1205.57  134.536  226.134   23.684  260.409   14.617 -34.27534 27.83168 
1 1 1    5    4   29 o  170.200   13.725  499.732   79.208  586.396  136.443  455.679   97.279  180.676   21.366  159.723   17.232 20.95250 27.44908 
1 1 1    5    4   31 o  240.715   14.312  1033.18  121.769   0.0000   0.0000  1033.18  121.769  ?   ?   240.715   14.312      ?      ? 
1 1 1    5    4   33 o  200.610   15.280  726.492  108.193  675.999  149.928  781.358  156.286  193.277   21.947  207.943   21.265 -14.66585 30.55928 
1 1 1    5    4   35 o   66.600   19.757   81.279   49.853   81.279   49.853   0.0000   0.0000   66.600   19.757  ?   ?       ?      ? 
1 1 1    5    4   37 o  119.377   18.404  276.929   76.205  321.853  100.203  215.306  117.359  132.992   21.317  105.763   30.006 27.22887 36.80777 
1 1 1    5    4   39 o  194.417   16.840  700.300  114.808  716.395  154.304  680.339  171.834  197.512   22.104  191.322   25.411 6.190140 33.67929 
1 1 1    5    4   41 o  113.920   22.664  248.991   88.045  248.991   88.045   0.0000   0.0000  113.920   22.664  ?   ?       ?      ? 
1 1 1    5    4   43 o   81.213   17.897  122.819   51.971  116.272   60.309  141.706  102.439   77.213   21.372   85.212   28.714 -7.999046 35.79475 
1 1 1    5    5    0 o  530.689   19.776  5020.98  370.674  4802.07  524.231  5239.85  524.193  519.019   28.577  542.359   27.345 -23.33972 39.55285 
1 1 1    5    5    2 f  338.242   16.810  2035.23  200.904  2094.71  284.171  1975.79  284.073  343.215   23.426  333.269   24.117 9.946472 33.62101 
1 1 1    5    5    4 o  590.091   20.663  6235.85  428.547  6989.23  606.154  5482.94  605.960  626.201   27.387  553.981   30.948 72.22028 41.32586 
1 1 1    5    5    6 o  194.167   21.699  669.444  148.913   0.0000   0.0000  669.444  148.913  ?   ?   194.167   21.699      ?      ? 
1 1 1    5    5    8 o  245.433   15.387  1066.60  133.475   0.0000   0.0000  1066.60  133.475  ?   ?   245.433   15.387      ?      ? 
1 1 1    5    5   10 o  610.602   29.823  6626.87  643.615   0.0000   0.0000  6626.87  643.615  ?   ?   610.602   29.823      ?      ? 
1 1 1    5    5   14 o  1069.82   29.866 20503.62  1122.79 23015.90  1587.98 17992.14  1587.73  1136.25   39.542  1003.39   44.770 132.8597 59.73180 
1 1 1    5    5   16 f  1246.82   34.608 27878.62  1524.23 28955.07  2155.63 26802.26  2155.54  1271.25   47.976  1222.40   49.891 48.85120 69.21572 
1 1 1    5    5   18 o  570.144   20.680  5781.18  416.507  5997.75  588.700  5564.12  589.360  580.905   28.673  559.383   29.809 21.52228 41.36081 
1 1 1    5    5   20 o  360.044   14.078  2210.71  171.641  2601.67  296.889  2014.43  210.359  382.910   21.937  337.177   17.652 45.73270 28.15684 
1 1 1    5    5   22 o  424.583   15.549  3144.92  221.918  3388.25  383.939  3022.84  271.947  436.375   24.893  412.791   18.640 23.58411 31.09836 
1 1 1    5    5   24 o  241.510   16.522  1042.51  140.586  1130.07  197.981  953.450  199.667  251.865   22.240  231.155   24.439 20.70973 33.04359 
1 1 1    5    5   26 o  137.361   13.698  317.001   64.272  418.376  109.512  263.738   79.381  153.078   20.241  121.643   18.463 31.43492 27.39678 
1 1 1    5    5   28 o   34.046   8.8657   14.944   14.134   23.040   21.449   8.7304   18.791   37.949   13.131   30.143   11.916 7.805605 17.73137 
1 1 1    5    5   30 o  130.588   15.075  311.599   67.972  333.288   96.197  289.974   96.056  136.204   19.982  124.971   22.578 11.23299 30.15047 
1 1 1    5    5   32 o  209.385   16.248  795.896  120.002  835.126  167.634  754.661  171.863  214.887   22.071  203.883   23.850 11.00449 32.49547 
1 1 1    5    5   34 o  107.577   16.775  218.188   61.678  217.482   82.093  219.103   93.458  107.643   22.310  107.512   25.058 0.1309204 33.55081 
1 1 1    5    5   36 o  363.984   17.529  2429.90  225.470  2392.79  315.509  2468.61  322.325  361.185   24.715  366.782   24.864 -5.596863 35.05759 
1 1 1    5    5   38 o  111.067   18.903  248.502   77.565  326.209  100.767  135.511  121.509  133.644   21.333   88.491   31.212 45.15224 37.80559 
1 1 1    5    5   40 o  201.031   22.259  747.612  158.158  747.612  158.158   0.0000   0.0000  201.031   22.259  ?   ?       ?      ? 
1 1 1    5    5   42 o   97.511   22.469  185.444   75.848  185.444   75.848   0.0000   0.0000   97.511   22.469  ?   ?       ?      ? 
1 1 1    5    6    1 f  275.807   22.775  1352.26  222.011   0.0000   0.0000  1352.26  222.011  ?   ?   275.807   22.775      ?      ? 
1 1 1    5    6    9 o  555.248   28.433  5476.32  557.998  5476.32  557.998   0.0000   0.0000  555.248   28.433  ?   ?       ?      ? 
1 1 1    5    6   11 o  949.121   27.737 16063.25  930.238 16474.80  1315.68 15651.87  1315.43  961.386   38.720  936.856   39.726 24.52979 55.47405 
1 1 1    5    6   13 o  1059.07   25.519 19858.16  902.694 20297.17  1563.39 19638.61  1105.61  1066.57   41.472  1051.56   29.747 15.00500 51.03774 
1 1 1    5    6   15 o  973.555   23.824 16768.62  774.808 17153.23  1341.82 16576.23  949.008  980.836   38.706  966.274   27.788 14.56201 47.64762 
1 1 1    5    6   17 o  419.524   25.329  3124.03  375.576   0.0000   0.0000  3124.03  375.576  ?   ?   419.524   25.329      ?      ? 
1 1 1    5    6   19 o  518.081   16.370  4612.09  286.520  5274.07  495.981  4280.53  351.016  544.824   25.757  491.339   20.213 53.48486 32.74074 
1 1 1    5    6   21 o  496.064   19.326  4382.92  338.803  4458.89  478.570  4306.58  479.711  500.412   27.058  491.716   27.602 8.696503 38.65267 
1 1 1    5    6   23 o  375.533   14.923  2515.44  186.567  2488.72  322.630  2528.87  228.679  373.609   24.432  377.457   17.141 -3.848480 29.84566 
1 1 1    5    6   25 o  142.451   13.328  398.122   58.181  286.181   99.451  456.369   71.738  124.498   23.462  160.404   12.654 -35.90594 26.65626 
1 1 1    5    6   27 o  160.679   13.498  441.262   73.773  536.489  126.701  392.418   90.742  173.051   20.715  148.306   17.311 24.74568 26.99612 
1 1 1    5    6   29 o   47.534   10.261   40.858   19.180   28.283   29.856   49.694   25.027   43.179   15.445   51.889   13.513 -8.710217 20.52199 
1 1 1    5    6   31 o  329.409   17.449  1973.56  202.934  2058.91  285.468  1886.36  288.542  336.869   23.976  321.948   25.357 14.92001 34.89754 
1 1 1    5    6   33 o  155.652   21.491  438.389  118.233  438.389  118.233   0.0000   0.0000  155.652   21.491  ?   ?       ?      ? 
1 1 1    5    6   35 o  360.774   17.462  2382.03  222.656  2360.36  312.744  2404.31  317.067  359.139   24.638  362.409   24.753 -3.269989 34.92496 
1 1 1    5    6   37 o  286.599   16.965  1510.49  171.697  1542.68  239.729  1476.58  246.027  290.010   23.388  283.189   24.580 6.821411 33.92900 
1 1 1    5    6   39 o   45.454   13.060   16.317   21.344   14.472   22.486   33.100   67.824   34.412   13.194   56.497   22.542 -22.08490 26.11924 
1 1 1    5    6   41 o  105.534   16.793  199.702   58.503  161.384   70.998  280.752  103.258   91.265   22.218  119.803   25.185 -28.53732 33.58504 
1 1 1    5    6   43 o  102.710   22.939  209.943   81.172  209.943   81.172   0.0000   0.0000  102.710   22.939  ?   ?       ?      ? 
1 1 1    5    7    4 o   59.647   18.683   62.331   43.791   62.331   43.791   0.0000   0.0000   59.647   18.683  ?   ?       ?      ? 
1 1 1    5    7    6 o  267.141   16.113  1267.21  151.863  1354.25  214.705  1180.07  214.829  276.365   21.981  257.917   23.566 18.44781 32.22609 
1 1 1    5    7    8 o  642.797   22.089  7365.13  499.785  8130.25  706.711  6599.60  706.894  676.483   29.557  609.110   32.835 67.37341 44.17893 
1 1 1    5    7   10 o  589.776   21.289  6200.13  441.437  6928.40  624.156  5471.27  624.416  624.728   28.267  554.825   31.842 69.90332 42.57855 
1 1 1    5    7   12 o  807.944   24.623 11618.62  702.742 11165.88  993.528 12071.90  994.126  792.082   35.489  823.806   34.143 -31.72412 49.24593 
1 1 1    5    7   14 o  492.723   18.121  4331.84  312.747  3662.99  441.876  5003.21  442.707  454.246   27.523  531.200   23.580 -76.95410 36.24220 
1 1 1    5    7   16 o  317.026   14.257  1725.65  152.652  1966.43  264.253  1605.06  187.012  333.001   22.452  301.051   17.576 31.94928 28.51303 
1 1 1    5    7   18 o  744.904   33.527  9894.96  882.706   0.0000   0.0000  9894.96  882.706  ?   ?   744.904   33.527      ?      ? 
1 1 1    5    7   20 o  504.280   17.248  4507.44  307.422   0.0000   0.0000  4507.44  307.422  ?   ?   504.280   17.248      ?      ? 
1 1 1    5    7   22 o  269.771   13.389  1304.80  110.062  1268.42  219.816  1316.97  127.148  266.888   23.303  272.653   13.194 -5.764282 26.77888 
1 1 1    5    7   24 o  482.675   15.264  4202.03  224.117  4071.28  447.887  4245.70  258.855  476.374   26.601  488.975   14.978 -12.60114 30.52795 
1 1 1    5    7   26 o  144.041   13.413  352.935   65.662  435.805  113.201  310.915   80.608  156.040   20.526  132.042   17.272 23.99731 26.82588 
1 1 1    5    7   28 o  261.781   16.239  1235.59  150.183  1194.55  212.458  1276.58  212.324  257.347   23.358  266.215   22.566 -8.868347 32.47761 
1 1 1    5    7   30 o   44.613   11.721   27.067   25.039   37.028   32.929   13.413   38.553   47.525   16.278   41.701   16.869 5.824848 23.44256 
1 1 1    5    7   32 o  290.553   15.581  1532.26  159.098  1339.58  223.722  1729.38  226.295  271.614   23.304  309.491   20.687 -37.87671 31.16189 
1 1 1    5    7   34 o  161.724   14.621  472.361   83.110  408.261  114.858  542.807  120.409  150.045   21.658  173.404   19.646 -23.35823 29.24125 
1 1 1    5    7   36 o  123.004   14.866  274.382   62.421  217.495   82.963  348.601   94.763  107.262   22.597  138.745   19.324 -31.48235 29.73273 
1 1 1    5    7   38 o  130.155   16.698  316.953   74.554  312.760   99.184  322.399  113.041  130.610   21.485  129.699   25.568 0.9107513 33.39684 
1 1 1    5    7   40 o   84.043   11.478   85.920   31.216   35.887   35.328  264.082   66.665   47.387   16.817  120.699   15.627 -73.31252 22.95690 
1 1 1    5    7   42 o  113.771   16.546  245.679   63.219  207.102   80.514  307.699  102.087  102.556   22.802  124.987   23.982 -22.43084 33.09181 
1 1 1    5    7   44 f  116.334   17.787  268.062   68.820  230.692   85.479  336.916  116.029  106.187   23.406  126.480   26.789 -20.29337 35.57349 
1 1 1    5    8    1 o  328.880   16.706  1919.32  194.191  1929.19  274.539  1909.43  274.717  329.730   23.557  328.030   23.695 1.700653 33.41236 
1 1 1    5    8    3 o  196.626   15.494  686.156  107.525  727.416  151.956  644.779  152.171  202.572   21.224  190.680   22.579 11.89175 30.98793 
1 1 1    5    8    5 o  195.441   12.554  671.228   82.084  692.148  142.075  660.747  100.566  197.649   20.338  193.232   14.725 4.417297 25.10870 
1 1 1    5    8    7 o  695.993   19.599  8610.83  454.119  8562.88  786.517  8634.80  556.195  694.012   32.064  697.973   22.546 -3.960876 39.19736 
1 1 1    5    8    9 o  207.294   14.594  789.365   98.731  684.541  170.922  841.856  120.951  196.480   24.613  218.109   15.690 -21.62956 29.18827 
1 1 1    5    8   11 o  569.700   20.526  5764.34  413.170  5930.05  584.089  5598.38  584.533  577.937   28.594  561.463   29.456 16.47382 41.05193 
1 1 1    5    8   13 o  859.871   22.685 13045.33  652.299 13465.84  1129.72 12835.02  798.931  869.346   36.767  850.396   26.581 18.94940 45.36918 
1 1 1    5    8   15 o  424.136   15.471  3185.96  218.790  3200.59  378.799  3178.64  268.017  424.634   25.239  423.638   17.900 0.9966431 30.94207 
1 1 1    5    8   17 o  1207.67   26.945 25757.93  1090.22 27079.65  1888.10 25096.85  1335.31  1228.51   43.484  1186.84   31.833 41.67334 53.89004 
1 1 1    5    8   19 o  579.719   17.210  5956.77  352.635   0.0000   0.0000  5956.77  352.635  ?   ?   579.719   17.210      ?      ? 
1 1 1    5    8   21 o  404.597   13.597  2914.33  168.206  2894.09  336.052  2921.09  194.296  403.143   23.585  406.052   13.538 -2.909058 27.19402 
1 1 1    5    8   23 o  703.175   19.192  8805.16  413.917  9001.47  827.592  8739.67  477.996  705.781   33.176  700.569   19.304 5.211609 38.38376 
1 1 1    5    8   25 o  213.436   13.341  774.432   89.114  898.557  177.980  732.903  102.947  223.837   22.497  203.036   14.346 20.80081 26.68156 
1 1 1    5    8   27 o  272.777   12.659  1315.93  106.255  1360.05  212.100  1301.14  122.772  275.028   21.819  270.526   12.840 4.501770 25.31718 
1 1 1    5    8   29 o  237.187   15.953  1005.28  133.737   0.0000   0.0000  1005.28  133.737  ?   ?   237.187   15.953      ?      ? 
1 1 1    5    8   31 o  190.620   14.677  657.585   98.177  563.645  137.698  754.712  140.016  176.473   22.076  204.766   19.346 -28.29253 29.35393 
1 1 1    5    8   33 f  114.449   13.910  242.071   53.518  163.787   73.545  330.182   78.025   93.182   22.570  135.716   16.266 -42.53403 27.82047 
1 1 1    5    8   35 o   77.556   16.274  113.134   48.949  138.485   64.653   79.086   74.928   85.638   21.416   69.474   24.509 16.16368 32.54727 
1 1 1    5    8   37 o   88.913   14.887  139.582   45.473  102.475   57.098  203.935   75.193   73.906   20.916  103.920   21.190 -30.01403 29.77456 
1 1 1    5    8   39 o  144.961   14.804  381.891   75.090  315.327  100.411  466.347  113.104  130.589   21.755  159.333   20.084 -28.74355 29.60812 
1 1 1    5    9    0 o  471.246   16.565  3957.26  259.414  3880.03  449.319  3995.87  317.715  467.504   27.193  474.987   18.925 -7.482971 33.12990 
1 1 1    5    9    2 o  477.208   18.711  4041.83  315.528  3945.33  446.031  4138.50  446.416  471.483   26.766  482.934   26.154 -11.45050 37.42214 
1 1 1    5    9    4 o  650.636   21.816  7522.48  501.682  7493.22  709.310  7551.78  709.662  649.363   30.905  651.908   30.800 -2.544800 43.63175 
1 1 1    5    9    6 f  1075.29   30.934 20656.55  1175.41 21149.91  1662.07 20162.95  1662.47  1088.28   43.211  1062.31   44.278 25.97168 61.86818 
1 1 1    5    9    8 o  1098.34   31.286 21552.73  1214.53 21618.26  1717.37 21487.17  1717.83  1100.03   44.171  1096.65   44.319 3.380005 62.57239 
1 1 1    5    9   10 o  721.717   23.234  9262.44  592.664  9301.72  837.923  9223.13  838.385  723.258   32.779  720.175   32.937 3.083374 46.46815 
1 1 1    5    9   12 o  354.660   13.045  2216.05  154.598  2263.14  267.579  2192.45  189.410  357.353   21.185  351.968   15.226 5.385101 26.08913 
1 1 1    5    9   14 o  611.759   16.181  6616.88  330.401  6703.51  572.019  6573.50  404.746  614.387   26.342  609.131   18.800 5.256042 32.36244 
1 1 1    5    9   16 o  925.091   22.725 15357.05  697.747 14942.09  1208.26 15564.68  854.659  914.270   37.391  935.911   25.837 -21.64056 45.44905 
1 1 1    5    9   18 o  346.826   17.247  2144.74  210.483  1913.48  297.705  2375.88  297.630  327.965   25.683  365.686   23.028 -37.72205 34.49442 
1 1 1    5    9   20 o  635.997   17.449  7228.88  338.901  7166.49  677.557  7249.70  391.376  632.820   30.293  639.174   17.324 -6.353455 34.89709 
1 1 1    5    9   22 o  640.229   17.829  7119.01  353.998  7797.52  707.853  6892.71  408.790  658.106   30.432  622.352   18.584 35.75488 35.65760 
1 1 1    5    9   24 o  347.361   13.622  2147.58  145.011  2170.18  289.688  2140.03  167.509  347.663   23.575  347.059   13.656 0.6045227 27.24445 
1 1 1    5    9   26 o  107.989   12.206  216.057   38.889  203.435   77.056  220.371   45.046  104.571   21.565  111.407   11.440 -6.836357 24.41136 
1 1 1    5    9   28 o  155.907   14.037  421.677   74.090  489.369  127.868  387.464   90.905  164.707   21.965  147.107   17.484 17.60017 28.07382 
1 1 1    5    9   30 o  167.964   12.679  482.533   72.362  593.756  124.771  426.162   88.826  181.633   19.436  154.294   16.288 27.33865 25.35826 
1 1 1    5    9   32 o  204.513   15.552  758.116  112.402  741.610  157.798  775.118  160.150  202.234   22.076  206.791   21.912 -4.557419 31.10434 
1 1 1    5    9   34 o   59.074   20.144   58.703   50.421   0.0000   0.0000   58.703   50.421  ?   ?    59.074   20.144      ?      ? 
1 1 1    5    9   40 o   84.821   21.777  139.574   65.623  139.574   65.623   0.0000   0.0000   84.821   21.777  ?   ?       ?      ? 
1 1 1    5    9   42 o   89.104   22.296  158.743   70.047  158.743   70.047   0.0000   0.0000   89.104   22.296  ?   ?       ?      ? 
1 1 1    5    9   44 o   44.629   12.899   23.210   28.972   32.248   32.106 -16.4245   67.234   44.198   15.991   45.060   20.244 -0.8626785 25.79840 
1 1 1    5   10    1 o  404.021   15.012  2879.84  202.529  2929.10  350.701  2855.19  248.078  406.437   24.413  401.604   17.477 4.832703 30.02414 
1 1 1    5   10    3 f  755.011   19.853 10018.10  501.788 10429.69  869.066  9812.27  614.583  766.019   32.099  744.004   23.371 22.01459 39.70613 
1 1 1    5   10    5 o  891.858   23.075 14259.35  682.564 13791.02  1182.14 14493.57  836.002  879.835   38.014  903.880   26.168 -24.04462 46.15040 
1 1 1    5   10    7 o  351.971   16.831  2197.12  209.255  2109.21  295.725  2285.27  296.137  344.895   24.259  359.047   23.336 -14.15131 33.66120 
1 1 1    5   10    9 o  522.888   19.384  4854.50  358.137  4715.54  506.219  4993.75  506.747  515.363   27.791  530.414   27.031 -15.05096 38.76851 
1 1 1    5   10   11 o  337.995   17.215  2030.02  205.187  2184.05  289.939  1875.48  290.417  350.911   23.377  325.079   25.276 25.83194 34.42925 
1 1 1    5   10   13 o  499.824   18.648  4444.93  328.606  4078.29  464.355  4812.72  465.083  479.040   27.426  520.609   25.275 -41.56873 37.29636 
1 1 1    5   10   15 o  1049.44   26.362 19678.72  921.776 19757.75  1596.39 19639.20  1129.00  1048.93   43.060  1049.96   30.423 -1.035156 52.72302 
1 1 1    5   10   17 o  494.245   16.318  4358.87  268.179  4288.37  464.261  4394.17  328.536  490.757   26.765  497.733   18.675 -6.975983 32.63673 
1 1 1    5   10   19 o  234.249   22.164  976.492  183.501   0.0000   0.0000  976.492  183.501  ?   ?   234.249   22.164      ?      ? 
1 1 1    5   10   21 o  540.553   17.756  5271.67  318.348  5109.04  551.108  5353.11  389.996  533.011   29.254  548.095   20.132 -15.08374 35.51157 
1 1 1    5   10   23 o  509.782   14.354  4527.50  226.611  4898.06  452.912  4403.76  261.727  521.956   24.550  497.608   14.881 24.34796 28.70850 
1 1 1    5   10   25 o  251.646   13.335  1080.36  104.935  1248.67  209.633  1024.09  121.214  263.441   22.514  239.852   14.298 23.58893 26.67080 
1 1 1    5   10   27 o  203.959   13.435  750.629   83.619  737.928  166.784  754.893   96.643  202.011   23.359  205.908   13.279 -3.897232 26.86998 
1 1 1    5   10   29 o  261.302   22.767  1236.81  210.262   0.0000   0.0000  1236.81  210.262  ?   ?   261.302   22.767      ?      ? 
1 1 1    5   10   31 o  323.634   23.862  1906.75  272.944   0.0000   0.0000  1906.75  272.944  ?   ?   323.634   23.862      ?      ? 
1 1 1    5   10   35 o   50.519   17.196   42.746   36.742   42.746   36.742   0.0000   0.0000   50.519   17.196  ?   ?       ?      ? 
1 1 1    5   10   37 o  108.451   16.055  221.530   59.258  196.173   78.679  254.768   90.081  101.270   22.560  115.633   22.851 -14.36265 32.11093 
1 1 1    5   10   39 o  268.021   15.022  1342.11  139.519  1033.53  193.824  1673.94  200.990  234.466   23.389  301.576   18.856 -67.11017 30.04317 
1 1 1    5   10   41 o   67.522   15.515   86.355   41.740   89.816   52.590   80.463   68.615   68.215   20.304   66.829   23.464 1.385338 31.02980 
1 1 1    5   10   43 o   87.080   16.471  151.602   50.553  130.262   63.884  187.350   82.684   79.774   21.962   94.386   24.552 -14.61158 32.94182 
1 1 1    5   11    0 o  474.720   15.474  3942.65  246.261  4151.95  426.462  3837.94  301.633  483.861   24.937  465.578   18.330 18.28250 30.94890 
1 1 1    5   11    2 f  727.354   20.427  9503.71  491.946  9073.14  851.954  9719.09  602.550  714.225   33.749  740.484   23.023 -26.25922 40.85394 
1 1 1    5   11    4 o  347.890   14.587  2120.09  170.006  2218.79  294.399  2070.71  208.236  353.767   23.545  342.013   17.226 11.75421 29.17384 
1 1 1    5   11    6 o  498.471   16.644  4364.49  277.688  4533.41  480.903  4280.00  340.120  505.383   26.923  491.559   19.577 13.82397 33.28764 
1 1 1    5   11    8 o  1437.11   34.359 37051.47  1644.16 37072.40  2847.65 37041.01  2013.71  1433.76   56.194  1440.47   39.552 -6.708130 68.71803 
1 1 1    5   11   10 o  589.023   16.937  6109.85  333.632  6298.46  577.735  6015.49  408.661  595.420   27.453  582.625   19.845 12.79504 33.87447 
1 1 1    5   11   12 o  298.115   15.999  1578.96  168.210  1457.06  237.548  1701.56  238.223  286.515   23.458  309.715   21.762 -23.20050 31.99767 
1 1 1    5   11   14 o  1208.88   33.570 26385.32  1433.66 25458.48  2027.13 27312.83  2027.86  1187.18   48.311  1230.57   46.624 -43.39063 67.13978 
1 1 1    5   11   16 o  498.546   19.654  4434.51  345.910  4675.37  488.784  4192.84  489.598  512.242   26.997  484.850   28.570 27.39124 39.30786 
1 1 1    5   11   18 o  445.866   15.360  3572.75  227.032  3437.10  392.962  3640.72  278.152  438.881   25.333  452.851   17.378 -13.97061 30.72064 
1 1 1    5   11   20 o  261.067   14.184  1209.70  130.884   0.0000   0.0000  1209.70  130.884  ?   ?   261.067   14.184      ?      ? 
1 1 1    5   11   22 o   73.187   11.550  103.789   28.629   74.215   48.606  119.498   35.425   64.322   19.606   82.052   12.215 -17.72962 23.09966 
1 1 1    5   11   24 o  338.111   13.358  2033.21  159.631   0.0000   0.0000  2033.21  159.631  ?   ?   338.111   13.358      ?      ? 
1 1 1    5   11   26 o   67.800   14.094   84.923   32.672   0.0000   0.0000   84.923   32.672  ?   ?    67.800   14.094      ?      ? 
1 1 1    5   11   28 o  164.345   16.336  483.433   94.888   0.0000   0.0000  483.433   94.888  ?   ?   164.345   16.336      ?      ? 
1 1 1    5   11   30 f  172.917   12.520  548.580   71.280  504.104  123.220  570.950   87.385  166.989   20.877  178.846   13.824 -11.85735 25.03934 
1 1 1    5   11   32 o  235.145   17.193  1021.97  140.543  1224.05  198.398  818.419  199.119  259.563   21.626  210.727   26.734 48.83575 34.38618 
1 1 1    5   11   34 o  243.110   15.373  1080.31  131.472  954.398  184.457  1210.32  187.437  228.281   22.862  257.939   20.560 -29.65788 30.74662 
1 1 1    5   11   36 o  128.357   15.198  303.704   66.970  256.990   90.294  360.822   99.843  116.237   22.793  140.478   20.109 -24.24073 30.39542 
1 1 1    5   11   38 o   36.831   10.887   9.5121   21.128   17.315   23.472 -23.8055   48.502   35.968   13.554   37.695   17.041 -1.727154 21.77373 
1 1 1    5   11   40 o  115.929   13.915  246.154   53.642  151.111   69.665  384.573   84.072   87.420   22.435  144.438   16.468 -57.01840 27.83020 
1 1 1    5   11   42 o  118.256   14.504  267.301   57.553  175.488   75.663  393.360   88.657   92.331   23.211  144.182   17.397 -51.85064 29.00708 
1 1 1    5   12    1 o  1074.65   21.870 20530.14  830.578 20873.51  1174.54 20186.69  1174.69  1083.69   30.665  1065.60   31.189 18.08313 43.73924 
1 1 1    5   12    3 o  882.383   22.295 13761.23  657.358 14106.28  1138.45 13588.64  805.139  889.753   36.201  875.013   26.034 14.74023 44.59032 
1 1 1    5   12    5 o  520.653   17.191  4807.15  298.290  4816.36  516.544  4802.54  365.367  520.687   28.068  520.619   19.856 0.6781006E-01 34.38118 
1 1 1    5   12    7 o  816.732   22.138 11921.22  600.955 11715.41  1040.74 12024.17  736.066  810.451   36.333  823.013   25.304 -12.56195 44.27586 
1 1 1    5   12    9 o  104.170   16.074  200.441   57.556  218.532   80.846  181.848   81.959  109.093   21.730   99.247   23.693 9.846527 32.14894 
1 1 1    5   12   11 o  359.534   14.556  2264.64  175.434  2380.93  303.697  2206.41  214.920  366.178   23.465  352.889   17.231 13.28894 29.11260 
1 1 1    5   12   13 o  128.081   12.159  297.500   51.346  271.493   88.543  310.677   63.026  123.693   20.253  132.470   13.461 -8.776611 24.31834 
1 1 1    5   12   15 f   53.571   12.241   49.637   25.840   42.376   44.027   53.452   31.916   52.779   18.769   54.362   15.720 -1.582851 24.48250 
1 1 1    5   12   17 o  513.676   18.650  4732.58  336.762  4165.17  475.806  5302.13  476.702  482.370   27.908  544.982   24.748 -62.61243 37.30059 
1 1 1    5   12   19 o  165.366   21.597  488.488  126.230   0.0000   0.0000  488.488  126.230  ?   ?   165.366   21.597      ?      ? 
1 1 1    5   12   23 o  131.217   21.178  309.271   98.218   0.0000   0.0000  309.271   98.218  ?   ?   131.217   21.178      ?      ? 
1 1 1    5   12   25 o   73.303   14.551   99.372   39.292   93.006   55.657  105.697   55.477   71.205   20.808   75.402   20.346 -4.197578 29.10184 
1 1 1    5   12   27 o  199.567   12.715  721.623   77.260  700.995  154.124  728.547   89.290  196.852   22.152  202.283   12.489 -5.430557 25.42977 
1 1 1    5   12   29 o   83.339   12.327  126.013   31.817  129.139   62.612  124.925   36.943   82.944   21.259   83.735   12.483 -0.7911072 24.65307 
1 1 1    5   12   31 f  179.904   12.057  550.995   68.148  650.563  135.651  517.382   78.816  189.570   20.246  170.238   13.099 19.33231 24.11374 
1 1 1    5   12   33 f  277.602   12.192  1285.92  107.120  1629.70  213.511  1170.28  123.833  299.514   20.169  255.689   13.703 43.82436 24.38333 
1 1 1    5   12   35 o   46.868   12.341   31.316   27.203   38.190   34.328   19.713   44.599   48.110   16.613   45.626   18.254 2.483376 24.68197 
1 1 1    5   12   37 o  110.455   16.666  236.006   62.949  236.375   85.954  235.579   92.445  110.844   22.704  110.066   24.404 0.7774658 33.33148 
1 1 1    5   12   39 o  199.041   15.113  746.918  105.395  626.161  145.508  880.198  152.867  181.318   22.705  216.763   19.953 -35.44482 30.22663 
1 1 1    5   12   41 o   86.251   15.317  143.168   46.303  110.030   59.241  195.195   74.229   74.105   21.413   98.397   21.907 -24.29199 30.63391 
1 1 1    5   13    0 o  512.805   13.550  4659.19  245.585  4615.30  347.215  4703.13  347.405  510.383   19.248  515.228   19.077 -4.844971 27.10026 
1 1 1    5   13    2 o  613.528   14.966  6673.25  324.543  6667.96  458.886  6678.55  459.060  613.284   21.170  613.772   21.161 -0.4878540 29.93279 
1 1 1    5   13    4 o  155.030   10.013  429.710   53.969  339.944   76.141  520.344   76.509  138.569   15.547  171.491   12.623 -32.92212 20.02560 
1 1 1    5   13    6 o  316.329   13.609  1804.60  142.148  1684.44  245.988  1864.84  174.172  308.110   22.589  324.548   15.184 -16.43832 27.21744 
1 1 1    5   13    8 o  716.251   23.801  9171.19  600.904  9938.84  849.584  8402.73  850.029  746.592   32.196  685.909   35.063 60.68268 47.60238 
1 1 1    5   13   10 o  681.256   19.563  8285.90  443.343  8195.35  767.734  8331.20  543.037  677.589   32.057  684.924   22.432 -7.335022 39.12611 
1 1 1    5   13   12 o  486.280   19.036  4196.20  327.184   0.0000   0.0000  4196.20  327.184  ?   ?   486.280   19.036      ?      ? 
1 1 1    5   13   14 o  303.999   15.938  1639.11  171.243   0.0000   0.0000  1639.11  171.243  ?   ?   303.999   15.938      ?      ? 
1 1 1    5   13   16 o  311.940   23.386  1737.48  257.842   0.0000   0.0000  1737.48  257.842  ?   ?   311.940   23.386      ?      ? 
1 1 1    5   13   18 o  392.462   17.692  2765.48  245.383  2717.30  347.068  2813.63  346.979  388.989   25.244  395.935   24.795 -6.946655 35.38410 
1 1 1    5   13   20 o   71.416   14.258   93.720   37.573   96.777   53.225   90.683   53.048   72.454   20.086   70.377   20.242 2.076843 28.51655 
1 1 1    5   13   22 o  154.515   15.847  431.388   86.128  476.761  121.396  385.401  122.215  162.889   21.086  146.141   23.661 16.74832 31.69321 
1 1 1    5   13   24 o  185.663   14.919  621.927   97.590  563.057  137.489  681.704  138.542  176.637   22.022  194.690   20.133 -18.05322 29.83867 
1 1 1    5   13   26 o  187.047   13.021  651.697   79.460  563.930  137.188  696.005   97.475  176.573   21.982  197.521   13.962 -20.94751 26.04169 
1 1 1    5   13   28 o  228.641   13.979  953.351  105.868  911.670  182.907  974.350  129.826  223.995   23.103  233.286   15.745 -9.290665 27.95843 
1 1 1    5   13   30 o  210.257   12.847  802.416   82.370  784.782  164.101  808.356   95.236  207.657   22.359  212.858   12.659 -5.201157 25.69346 
1 1 1    5   13   32 o  335.336   14.233  2146.73  141.598  1842.36  282.542  2248.81  163.630  316.017   25.296  354.656   13.054 -38.63913 28.46563 
1 1 1    5   13   34 o  171.305   11.567  483.810   63.196  641.642  125.287  429.950   73.188  187.780   18.877  154.829   13.374 32.95119 23.13472 
1 1 1    5   13   36 o   57.946   13.626   54.258   31.125   43.076   37.850   77.613   54.701   50.651   17.448   65.240   20.934 -14.58892 27.25180 
1 1 1    5   13   38 o   99.458   16.935  196.947   58.796  207.920   80.131  184.148   86.539  102.945   22.639   95.971   25.193 6.973587 33.87020 
1 1 1    5   13   40 o  121.650   17.666  304.612   73.143  313.576   99.146  293.909  108.344  124.713   23.351  118.588   26.514 6.125008 35.33105 
1 1 1    5   14    1 o  232.060   10.399  955.331   85.007  863.888  120.063  1047.25  120.374  220.883   15.379  243.237   14.002 -22.35437 20.79812 
1 1 1    5   14    3 o  302.476   11.041  1620.27  118.036  1623.33  166.808  1617.20  167.049  302.763   15.588  302.189   15.640 0.5740356 22.08194 
1 1 1    5   14    5 o  651.620   15.523  7540.00  357.369  7790.63  505.317  7289.22  505.476  662.506   21.580  640.734   22.320 21.77173 31.04679 
1 1 1    5   14    7 o  327.036   23.641  1900.61  273.268   0.0000   0.0000  1900.61  273.268  ?   ?   327.036   23.641      ?      ? 
1 1 1    5   14    9 o  248.092   17.407  1091.46  152.640   0.0000   0.0000  1091.46  152.640  ?   ?   248.092   17.407      ?      ? 
1 1 1    5   14   11 o   80.869   21.134  120.533   61.078   0.0000   0.0000  120.533   61.078  ?   ?    80.869   21.134      ?      ? 
1 1 1    5   14   13 o  595.233   21.019  6359.14  441.761  6038.68  624.757  6679.57  624.732  580.002   30.476  610.465   28.954 -30.46332 42.03753 
1 1 1    5   14   15 o  280.973   16.197  1411.63  160.809  1376.54  227.408  1446.72  227.429  277.439   23.191  284.506   22.617 -7.066620 32.39359 
1 1 1    5   14   17 o  130.853   13.706  317.724   57.283  288.976   98.878  332.246   70.277  124.999   23.236  136.706   14.545 -11.70641 27.41268 
1 1 1    5   14   19 o   69.815   12.483   95.969   30.696   62.377   52.709  113.208   37.760   61.029   20.597   78.600   14.111 -17.57096 24.96662 
1 1 1    5   14   21 o  206.423   21.960  767.324  160.215   0.0000   0.0000  767.324  160.215  ?   ?   206.423   21.960      ?      ? 
1 1 1    5   14   23 o  500.878   17.215  4577.56  286.042  4470.53  495.219  4631.14  350.407  494.153   28.354  507.603   19.531 -13.45038 34.42994 
1 1 1    5   14   25 o  244.959   14.982  1092.21  127.846  879.909  180.051  1308.08  181.561  220.253   23.129  269.664   19.049 -49.41080 29.96357 
1 1 1    5   14   27 o  188.025   14.353  649.457   92.390  465.054  129.935  838.025  131.394  159.986   22.979  216.065   17.206 -56.07947 28.70637 
1 1 1    5   14   29 o  159.105   13.060  456.540   69.276  456.706  119.614  456.457   84.980  158.588   21.340  159.622   15.063 -1.034515 26.12041 
1 1 1    5   14   31 o  108.092   12.925  221.640   41.126  201.425   81.373  228.575   47.660  103.008   22.939  113.175   11.915 -10.16690 25.84902 
1 1 1    5   14   33 o  185.120   12.210  594.427   70.740  678.511  140.534  565.892   81.868  192.549   20.650  177.691   13.036 14.85858 24.42017 
1 1 1    5   14   35 o  293.033   14.270  1585.45  139.102  1572.07  240.063  1592.21  170.674  290.014   23.420  296.051   16.311 -6.036682 28.54021 
1 1 1    5   14   37 o  108.436   14.809  220.460   55.253  165.804   73.678  290.703   83.525   91.783   22.811  125.090   18.892 -33.30738 29.61867 
1 1 1    5   14   39 o  121.057   13.972  277.898   55.668  164.908   73.504  429.877   85.247   90.092   23.003  152.021   15.866 -61.92844 27.94419 
1 1 1    5   15    0 o  435.921   12.376  3368.60  190.670  3330.43  269.527  3406.83  269.771  433.442   17.593  438.400   17.410 -4.957367 24.75166 
1 1 1    5   15    2 o  340.291   14.495  2076.79  163.489  1992.48  282.959  2119.04  200.307  334.785   23.913  345.796   16.389 -11.01062 28.99041 
1 1 1    5   15    4 o  478.503   18.823  4078.77  318.279  4169.46  450.161  3988.12  450.067  483.863   26.322  473.142   26.913 10.72125 37.64560 
1 1 1    5   15    6 o  491.494   26.991  4307.42  468.881   0.0000   0.0000  4307.42  468.881  ?   ?   491.494   26.991      ?      ? 
1 1 1    5   15    8 o  101.612   12.366  178.757   41.463  162.356   50.719  211.806   71.996   95.698   14.995  107.525   19.669 -11.82756 24.73291 
1 1 1    5   15   10 f  238.971   15.755  1023.39  131.895  868.055  186.481  1178.89  186.574  220.572   23.920  257.372   20.510 -36.80008 31.50945 
1 1 1    5   15   12 o  256.427   14.169  1184.96  120.353  1133.21  208.259  1210.91  147.472  251.787   23.402  261.067   15.982 -9.280533 28.33864 
1 1 1    5   15   14 o  251.715   14.236  1125.37  119.717  1150.60  207.192  1112.72  146.680  253.399   23.134  250.031   16.598 3.368439 28.47229 
1 1 1    5   15   16 o  224.239   13.838  912.625  102.566  860.411  177.412  938.837  125.701  218.852   22.936  229.626   15.488 -10.77379 27.67542 
1 1 1    5   15   18 o  146.600   13.178  394.943   63.437  355.139  109.590  415.001   77.797  140.529   22.064  152.670   14.417 -12.14108 26.35678 
1 1 1    5   15   20 o  500.582   17.487  4650.95  287.247  4223.13  497.245  4865.22  351.903  480.395   29.285  520.770   19.119 -40.37466 34.97372 
1 1 1    5   15   22 o  646.352   22.837  7560.48  521.719   0.0000   0.0000  7560.48  521.719  ?   ?   646.352   22.837      ?      ? 
1 1 1    5   15   24 o  394.624   15.326  2859.68  199.629  2691.64  345.514  2943.89  244.584  384.063   25.453  405.186   17.079 -21.12262 30.65204 
1 1 1    5   15   26 o  169.271   13.345  528.161   74.271  481.411  128.377  551.680   91.057  162.875   22.300  175.667   14.666 -12.79172 26.69064 
1 1 1    5   15   28 o  272.074   16.426  1351.77  157.941  1368.24  222.810  1335.14  223.920  273.818   23.022  270.331   23.436 3.486511 32.85210 
1 1 1    5   15   30 o  143.257   15.634  375.636   79.028  395.815  110.999  354.893  112.542  147.332   21.316  139.183   22.877 8.149582 31.26890 
1 1 1    5   15   32 o  190.995   13.174  646.604   84.868  720.527  146.530  609.288  104.108  198.293   20.907  183.697   16.035 14.59662 26.34818 
1 1 1    5   15   34 o   59.740   10.584   72.714   22.357   37.798   41.907   86.605   26.432   49.900   18.237   69.580   10.748 -19.67985 21.16840 
1 1 1    5   15   36 o  272.872   15.985  1414.91  153.247  1238.74  215.214  1596.10  218.265  254.485   23.927  291.259   21.202 -36.77417 31.96942 
1 1 1    5   15   38 o  183.856   15.709  657.212  101.764  591.702  141.046  728.339  146.967  173.727   22.971  193.984   21.436 -20.25722 31.41868 
1 1 1    5   16    1 o  347.707   16.956  2153.61  208.380  2165.31  294.722  2141.91  294.665  348.659   23.916  346.756   24.043 1.903107 33.91222 
1 1 1    5   16    3 o  348.452   14.745  2169.32  170.761  2189.00  209.154  2129.98  295.725  351.217   16.849  345.688   24.204 5.528717 29.49082 
1 1 1    5   16    5 o  268.799   14.241  1295.02  127.071  1256.24  219.850  1314.47  155.717  265.445   23.433  272.153   16.188 -6.707977 28.48113 
1 1 1    5   16    7 o  398.844   12.506  2827.61  176.281  2776.62  249.172  2878.71  249.426  395.224   17.838  402.463   17.535 -7.239471 25.01278 
1 1 1    5   16    9 o  376.283   11.979  2519.21  159.172  2395.10  224.958  2643.64  225.250  366.941   17.345  385.626   16.526 -18.68484 23.95798 
1 1 1    5   16   11 o  417.842   15.647  3164.76  216.249  3006.36  374.323  3244.11  264.932  408.928   25.899  426.756   17.564 -17.82794 31.29306 
1 1 1    5   16   13 o  305.696   14.568  1685.45  147.747  1634.84  255.721  1710.80  181.017  301.533   23.994  309.859   16.529 -8.325623 29.13637 
1 1 1    5   16   15 o  203.179   13.640  742.984   92.074  726.653  159.263  751.182  112.844  201.042   22.413  205.316   15.550 -4.274261 27.27938 
1 1 1    5   16   17 o  104.228   13.195  200.077   44.599  192.164   76.850  204.095   54.764  101.425   22.065  107.030   14.477 -5.604134 26.39046 
1 1 1    5   16   19 o  418.433   16.164  3179.34  224.567  3119.87  388.787  3209.12  275.099  413.841   26.580  423.024   18.399 -9.183136 32.32716 
1 1 1    5   16   21 o  409.134   18.061  3050.28  261.175  3067.14  369.443  3033.43  369.272  410.297   25.476  407.971   25.609 2.325592 36.12276 
1 1 1    5   16   23 o  283.978   14.523  1484.00  135.831  1374.85  235.050  1538.73  166.434  274.816   24.199  293.139   16.064 -18.32291 29.04548 
1 1 1    5   16   25 o  159.869   15.295  464.267   86.125  420.772  121.781  507.788  121.819  152.170   22.643  167.568   20.568 -15.39851 30.59013 
1 1 1    5   16   27 o  298.667   14.759  1634.77  145.966  1574.02  252.567  1665.23  178.861  293.005   24.388  304.329   16.628 -11.32413 29.51769 
1 1 1    5   16   29 o  175.934   13.276  551.290   78.500  591.834  135.542  530.826   96.294  180.097   21.293  171.770   15.861 8.326538 26.55154 
1 1 1    5   16   31 o  114.026   14.269  245.865   54.700  160.965   76.075  336.738   78.706   91.576   23.413  136.476   16.317 -44.90001 28.53778 
1 1 1    5   16   33 o   62.789   14.491   67.647   39.991  105.337   54.192   22.581   59.258   74.325   20.131   51.253   20.849 23.07142 28.98177 
1 1 1    5   16   35 o  209.356   15.174  829.301  110.796  673.830  154.623  993.373  158.842  187.950   23.276  230.763   19.475 -42.81358 30.34893 
1 1 1    5   16   37 o  107.295   24.569  236.217   91.167   0.0000   0.0000  236.217   91.167  ?   ?   107.295   24.569      ?      ? 
1 1 1    5   17    0 o   84.955   14.298  133.447   42.595  108.084   59.438  160.223   61.072   76.713   21.211   93.198   19.180 -16.48521 28.59678 
1 1 1    5   17    2 o  472.783   18.343  4012.11  305.599  3655.47  431.822  4369.94  432.543  451.410   27.065  494.156   24.765 -42.74609 36.68594 
1 1 1    5   17    4 o  282.869   13.643  1404.45  129.523  1493.42  224.143  1359.84  158.703  289.154   21.932  276.584   16.234 12.57010 27.28672 
1 1 1    5   17    6 o  628.667   18.290  7018.39  384.841  6851.82  471.175  7352.20  667.010  619.152   21.531  638.182   29.571 -19.03046 36.57917 
1 1 1    5   17    8 o  521.063   13.971  4849.86  257.293  4879.94  363.780  4819.76  363.956  522.698   19.691  519.428   19.825 3.270386 27.94185 
1 1 1    5   17   10 o  341.684   12.065  2082.04  145.671  2031.29  205.910  2132.89  206.108  337.479   17.263  345.889   16.859 -8.410248 24.12960 
1 1 1    5   17   12 o  305.711   14.514  1702.96  146.476  1595.64  253.474  1756.76  179.477  297.537   24.103  313.886   16.178 -16.34912 29.02887 
1 1 1    5   17   14 f   77.490   13.017  112.712   33.831  105.308   58.166  116.497   41.589   75.461   21.025   79.520   15.353 -4.058815 26.03445 
1 1 1    5   17   16 o  143.165   13.805  390.780   62.020  324.288  107.083  424.342   76.079  132.003   23.829  154.327   13.948 -22.32390 27.61064 
1 1 1    5   17   18 o  379.820   15.693  2647.72  196.697  2488.09  340.480  2727.68  240.979  369.496   26.071  390.145   17.476 -20.64825 31.38638 
1 1 1    5   17   20 o  123.018   13.652  279.229   54.104  268.175   93.401  284.811   66.374  119.775   22.898  126.261   14.873 -6.485619 27.30413 
1 1 1    5   17   22 o  227.411   22.334  937.985  179.514   0.0000   0.0000  937.985  179.514  ?   ?   227.411   22.334      ?      ? 
1 1 1    5   17   24 o  214.549   13.770  805.130   99.761  918.778  172.643  748.159  122.235  225.008   21.709  204.090   16.945 20.91739 27.53927 
1 1 1    5   17   26 o  181.379   13.655  591.561   82.792  607.667  143.078  583.453  101.515  182.539   22.177  180.220   15.937 2.319092 27.30920 
1 1 1    5   17   28 o   60.633   12.255   66.427   26.596   73.360   45.356   62.793   32.834   63.167   18.869   58.099   15.642 5.068348 24.50925 
1 1 1    5   17   30 o  114.079   14.062  257.088   50.597  201.242   86.898  285.732   62.234  102.100   24.411  126.058   13.968 -23.95765 28.12468 
1 1 1    5   17   32 o   49.454   15.108   44.572   28.841   0.0000   0.0000   44.572   28.841  ?   ?    49.454   15.108      ?      ? 
1 1 1    5   18    1 o  583.699   14.636  6093.61  301.940  6115.28  426.906  6071.93  427.110  584.751   20.656  582.647   20.740 2.104492 29.27145 
1 1 1    5   18    3 o  455.696   17.254  3867.39  256.191  4117.62  313.656  3365.84  444.057  480.305   18.476  431.086   29.144 49.21887 34.50751 
1 1 1    5   18    5 o  203.244   17.315  759.040  120.363  972.743  169.987  544.164  170.453  233.079   20.634  173.408   27.811 59.67108 34.62975 
1 1 1    5   18    7 o  330.548   16.832  1967.09  196.647  1950.61  277.796  1983.65  278.406  329.141   23.879  331.955   23.729 -2.814240 33.66438 
1 1 1    5   18    9 o  133.741   13.542  359.033   54.614  243.741   94.194  417.419   67.031  114.209   24.092  153.272   12.374 -39.06294 27.08417 
1 1 1    5   18   11 o  169.150   10.677  510.428   63.749  480.075   90.030  540.950   90.279  164.061   15.526  174.239   14.660 -10.17828 21.35334 
1 1 1    5   18   13 f  236.418   13.826  1032.10  107.136  922.995  185.288  1086.90  131.312  226.005   23.196  246.831   15.052 -20.82585 27.65142 
1 1 1    5   18   15 o  166.124   13.555  512.188   73.615  449.920  127.213  543.537   90.264  157.715   22.821  174.534   14.632 -16.81871 27.10924 
1 1 1    5   18   17 o  296.056   14.474  1548.06  144.079  1685.05  249.397  1479.44  176.516  304.867   23.145  287.246   17.386 17.62103 28.94802 
1 1 1    5   18   19 o  342.286   15.218  2109.54  173.829  2150.96  300.905  2088.80  212.958  343.497   24.785  341.075   17.665 2.422485 30.43611 
1 1 1    5   18   21 o  307.193   14.616  1735.20  148.075  1622.11  256.194  1791.93  181.453  298.214   24.306  316.172   16.238 -17.95874 29.23114 
1 1 1    5   18   23 o  160.209   16.041  460.712   90.832   0.0000   0.0000  460.712   90.832  ?   ?   160.209   16.041      ?      ? 
1 1 1    5   18   25 o  166.482   13.361  507.084   73.679  485.341  127.267  518.045   90.362  163.049   22.084  169.915   15.046 -6.866287 26.72264 
1 1 1    5   18   27 o  258.895   16.110  1208.51  147.417   0.0000   0.0000  1208.51  147.417  ?   ?   258.895   16.110      ?      ? 
1 1 1    5   18   29 o  145.473   21.694  390.544  111.543   0.0000   0.0000  390.544  111.543  ?   ?   145.473   21.694      ?      ? 
1 1 1    5   18   33 o   64.792   19.996   79.629   50.373   79.629   50.373   0.0000   0.0000   64.792   19.996  ?   ?       ?      ? 
1 1 1    5   18   35 o   94.728   15.020  175.119   49.260  128.611   65.026  237.752   75.462   79.662   22.243  109.794   20.190 -30.13243 30.03992 
1 1 1    5   19    0 o  334.584   11.770  1997.36  139.192  1985.74  196.712  2009.01  196.984  333.602   16.683  335.565   16.609 -1.962891 23.54096 
1 1 1    5   19    2 o  264.355   11.570  1248.07  107.929  1329.19  152.553  1166.78  152.717  273.048   15.807  255.663   16.900 17.38445 23.14087 
1 1 1    5   19    4 o  175.419   14.638  580.099   82.278  348.202  115.824  816.332  116.901  136.843   24.863  213.995   15.456 -77.15132 29.27542 
1 1 1    5   19    6 o  489.353   13.591  4291.69  235.067  4277.75  332.340  4305.64  332.532  488.549   19.247  490.158   19.195 -1.608551 27.18198 
1 1 1    5   19    8 o  328.174   15.082  1981.60  162.580  2064.65  199.001  1814.90  281.931  339.924   16.564  316.424   25.209 23.49982 30.16350 
1 1 1    5   19   10 o  273.533   15.511  1432.94  135.753  1582.43  166.175  1133.02  235.377  297.648   15.796  249.418   26.700 48.23076 31.02282 
1 1 1    5   19   12 o  258.642   16.737  1216.71  152.137  1359.88  214.893  1072.85  215.415  274.349   22.161  242.935   25.088 31.41428 33.47444 
1 1 1    5   19   14 o  309.072   16.688  1733.40  182.303  1729.78  257.511  1737.05  258.120  308.750   23.598  309.395   23.604 -0.6456604 33.37670 
1 1 1    5   19   16 o  147.824   13.215  393.961   65.034  390.137  112.353  395.888   79.753  146.842   21.648  148.805   15.164 -1.962601 26.43041 
1 1 1    5   19   18 o  226.060   15.401  927.947  122.544  830.716  172.889  1026.12  173.721  213.845   22.874  238.274   20.628 -24.42851 30.80175 
1 1 1    5   19   20 o   58.491   11.803   64.194   25.346   51.714   42.488   71.089   31.581   55.158   18.493   61.824   14.673 -6.666523 23.60678 
1 1 1    5   19   22 o  383.772   25.198  2708.55  341.795   0.0000   0.0000  2708.55  341.795  ?   ?   383.772   25.198      ?      ? 
1 1 1    5   19   24 f   94.994   22.103  171.277   72.814   0.0000   0.0000  171.277   72.814  ?   ?    94.994   22.103      ?      ? 
1 1 1    5   19   26 o  148.789   21.648  406.555  113.842   0.0000   0.0000  406.555  113.842  ?   ?   148.789   21.648      ?      ? 
1 1 1    5   19   28 o  332.674   17.285  2073.34  203.168  2133.64  287.394  2013.10  287.251  337.795   24.072  327.553   24.812 10.24231 34.56977 
1 1 1    5   19   30 o  180.099   13.687  616.449   80.759  553.154  139.197  648.565   99.153  171.256   22.997  188.942   14.848 -17.68582 27.37324 
1 1 1    5   19   32 o  124.118   14.041  311.287   54.617  245.886   92.881  345.855   67.526  110.617   24.411  137.620   13.882 -27.00331 28.08211 
1 1 1    5   19   34 o   74.561   15.993  112.855   45.717  117.624   60.542  106.527   69.737   76.268   21.522   72.854   23.663 3.414162 31.98621 
1 1 1    5   20    1 o  273.607   11.394  1337.21  110.180  1326.27  155.717  1348.18  155.919  272.476   16.169  274.738   16.057 -2.262177 22.78735 
1 1 1    5   20    3 o  288.983   14.310  1513.48  137.142  1465.30  237.291  1537.64  168.051  284.619   23.588  293.347   16.208 -8.727844 28.62022 
1 1 1    5   20    5 o   54.406   10.152   54.764   19.928   62.540   27.888   46.650   28.486   58.096   13.788   50.715   14.905 7.380726 20.30470 
1 1 1    5   20    7 o  176.898   10.511  558.540   65.713  550.391   92.824  566.726   93.040  175.594   14.957  178.203   14.772 -2.608414 21.02152 
1 1 1    5   20    9 o  460.833   13.276  3816.27  216.124  3678.68  305.550  3954.03  305.742  452.383   19.110  469.283   18.433 -16.90060 26.55122 
1 1 1    5   20   11 o  199.101   10.813  710.002   75.832  641.583  107.102  778.779  107.383  189.356   16.003  208.846   14.547 -19.49026 21.62693 
1 1 1    5   20   13 o  350.546   12.149  2204.34  150.512  2181.57  212.771  2227.15  212.942  348.709   17.264  352.384   17.097 -3.674561 24.29701 
1 1 1    5   20   15 o  372.154   17.854  2531.95  234.660  2639.39  331.415  2423.93  332.304  380.361   24.652  363.947   25.833 16.41406 35.70833 
1 1 1    5   20   17 o  295.959   23.546  1596.03  246.298   0.0000   0.0000  1596.03  246.298  ?   ?   295.959   23.546      ?      ? 
1 1 1    5   20   21 o  178.189   21.868  579.382  137.726   0.0000   0.0000  579.382  137.726  ?   ?   178.189   21.868      ?      ? 
1 1 1    5   20   23 o  121.497   22.612  278.799   93.527   0.0000   0.0000  278.799   93.527  ?   ?   121.497   22.612      ?      ? 
1 1 1    5   20   25 o  161.592   13.784  512.789   70.630  384.476  121.670  578.006   86.742  143.838   23.932  179.346   13.684 -35.50778 27.56841 
1 1 1    5   20   27 o  189.212   13.671  677.377   84.679  602.914  145.966  715.151  103.961  179.613   22.993  198.812   14.795 -19.19911 27.34151 
1 1 1    5   20   29 o  101.574   13.681  191.863   45.832  205.693   78.494  184.709   56.454  102.668   22.272  100.481   15.896 2.186844 27.36298 
1 1 1    5   20   31 o   85.719   12.937  151.670   36.967  105.261   62.754  176.332   45.747   73.144   22.273   98.293   13.168 -25.14947 25.87422 
1 1 1    5   20   33 o  105.103   16.566  228.043   59.947  216.564   82.948  240.595   86.734  102.254   23.451  107.953   23.406 -5.698456 33.13292 
1 1 1    5   21    0 o  205.841   11.266  758.829   81.781  815.873  115.570  701.615  115.741  213.695   15.301  197.987   16.540 15.70848 22.53212 
1 1 1    5   21    2 o  394.754   12.469  2794.45  173.970  2765.38  245.914  2823.57  246.148  392.671   17.719  396.837   17.549 -4.165466 24.93870 
1 1 1    5   21    4 o   73.411   11.026   99.917   27.726   97.298   39.005  102.593   39.420   72.407   15.694   74.416   15.491 -2.009300 22.05173 
1 1 1    5   21    6 o  226.029   10.891  915.279   86.710  827.629  122.504  1003.28  122.748  215.039   16.118  237.020   14.652 -21.98161 21.78272 
1 1 1    5   21    8 o   78.382   10.231  112.805   27.390   84.133   38.312  142.777   39.172   67.226   16.294   89.538   12.378 -22.31242 20.46249 
1 1 1    5   21   10 o  213.562   11.160  816.506   84.236  822.486  118.918  810.484  119.338  214.362   15.696  212.763   15.869 1.599808 22.32027 
1 1 1    5   21   12 o  319.950   15.201  1906.75  159.247  1704.07  275.489  2008.46  195.155  305.219   25.537  334.681   16.498 -29.46115 30.40276 
1 1 1    5   21   14 o  136.099   16.381  346.837   75.556  267.914  106.941  425.501  106.765  118.694   26.193  153.505   19.678 -34.81069 32.76165 
1 1 1    5   21   16 o  337.823   24.240  2090.12  289.433   0.0000   0.0000  2090.12  289.433  ?   ?   337.823   24.240      ?      ? 
1 1 1    5   21   18 o  161.281   15.303  474.092   87.216  484.030  123.382  464.168  123.301  163.021   21.413  159.540   21.866 3.481049 30.60516 
1 1 1    5   21   20 o  213.459   14.558  842.961  106.427  605.373  149.311  1088.34  151.739  181.502   23.275  245.416   17.493 -63.91420 29.11602 
1 1 1    5   21   22 o   87.186   15.873  144.960   49.070  142.507   66.468  147.897   72.748   86.446   21.768   87.926   23.107 -1.479637 31.74509 
1 1 1    5   21   24 o  136.856   14.687  338.040   71.043   0.0000   0.0000  338.040   71.043  ?   ?   136.856   14.687      ?      ? 
1 1 1    5   21   26 o  168.337   13.477  515.845   76.076  544.866  131.282  501.173   93.346  170.787   21.748  165.887   15.921 4.900604 26.95304 
1 1 1    5   21   28 o   31.998   8.7705   12.349   13.939   7.5757   23.143   15.067   17.461   31.916   13.011   32.080   11.764 -0.1642685 17.54104 
1 1 1    5   21   30 f   47.524   11.568   39.162   23.061   38.558   37.734   39.522   29.134   48.277   17.354   46.772   15.300 1.504845 23.13521 
1 1 1    5   21   32 o   71.761   15.262  105.020   41.834  106.495   57.505  103.362   60.971   72.299   21.157   71.224   22.002 1.075211 30.52367 
1 1 1    5   22    1 o  196.583   10.919  693.923   75.431  778.121  106.617  609.539  106.734  208.716   14.453  184.450   16.372 24.26576 21.83865 
1 1 1    5   22    3 o   83.356   14.115  141.625   41.491  173.017   50.277   74.602   73.464   98.412   14.454   68.300   24.250 30.11207 28.23072 
1 1 1    5   22    5 o  192.881   10.450  665.617   71.110  618.143  100.292  713.610  100.839  185.885   15.265  199.877   14.274 -13.99167 20.89914 
1 1 1    5   22    7 o  308.880   14.343  1728.61  147.294  1707.44  254.829  1739.23  180.500  306.295   23.539  311.466   16.396 -5.171051 28.68673 
1 1 1    5   22    9 o   58.774   13.194   61.281   30.795   62.943   43.642   59.633   43.462   59.382   18.659   58.166   18.660 1.215931 26.38840 
1 1 1    5   22   11 o  214.799   15.791  839.965  119.740  793.808  169.383  886.073  169.294  208.721   22.961  220.877   21.686 -12.15633 31.58245 
1 1 1    5   22   13 o  231.843   13.629  965.288  105.545  951.396  129.279  993.053  182.771  230.207   15.889  233.480   22.148 -3.272812 27.25790 
1 1 1    5   22   15 o  233.166   11.118  977.257   91.511  920.517  129.132  1034.50  129.703  226.259   16.148  240.073   15.286 -13.81409 22.23509 
1 1 1    5   22   17 o   80.057   13.126  117.227   35.165  132.741   59.554  108.922   43.571   83.794   20.318   76.319   16.623 7.475212 26.25193 
1 1 1    5   22   19 o  204.594   13.686  798.223   90.642  663.809  156.269  866.375  111.273  189.620   23.317  219.568   14.338 -29.94836 27.37261 
1 1 1    5   22   21 o  224.958   14.075  944.464  104.331  876.879  180.094  978.602  127.996  217.223   23.457  232.693   15.563 -15.47050 28.15034 
1 1 1    5   22   23 o  162.443   15.592  491.411   89.516  487.921  125.871  494.982  127.332  161.879   22.000  163.008   22.101 -1.128845 31.18386 
1 1 1    5   22   25 o  109.215   15.922  232.181   59.425  211.156   83.000  254.295   85.121  103.742   23.216  114.688   21.796 -10.94553 31.84379 
1 1 1    5   22   27 o   78.082   15.380  120.513   43.990  117.586   60.848  123.717   63.670   77.163   21.507   79.001   21.993 -1.838074 30.76054 
1 1 1    5   22   29 o  122.598   13.894  293.203   54.961  289.809   94.659  294.929   67.506  119.331   23.279  125.865   15.175 -6.534294 27.78836 
1 1 1    5   23    0 o  248.448   11.857  1117.34  102.766  1319.03  145.171  914.754  145.496  271.471   15.130  225.424   18.261 46.04732 23.71478 
1 1 1    5   23    2 o  235.929   22.757  1012.38  189.767   0.0000   0.0000  1012.38  189.767  ?   ?   235.929   22.757      ?      ? 
1 1 1    5   23    4 o   55.935   12.895   54.502   29.286   53.132   41.523   55.858   41.311   55.461   18.271   56.408   18.202 -0.9476471 25.79074 
1 1 1    5   23    6 o  129.448   15.835  310.805   70.454  273.521   99.703  347.990   99.572  120.294   24.287  138.602   20.326 -18.30786 31.67003 
1 1 1    5   23    8 o   89.143   13.346  145.497   38.995  138.867   47.845  158.615   67.298   86.587   16.230   91.700   21.190 -5.112846 26.69127 
1 1 1    5   23   10 o  341.458   14.920  2165.19  167.511  1990.41  289.786  2252.90  205.283  328.978   24.922  353.939   16.410 -24.96133 29.83977 
1 1 1    5   23   12 o  126.302   10.194  286.857   45.172  245.244   63.411  329.730   64.364  116.853   15.354  135.751   13.415 -18.89896 20.38831 
1 1 1    5   23   14 o  142.643   9.9989  370.298   49.004  269.694   68.769  474.082   69.848  122.389   15.898  162.898   12.132 -40.50889 19.99775 
1 1 1    5   23   16 o  157.103   13.417  450.246   70.235  445.657  120.941  452.582   86.274  155.723   21.974  158.484   15.402 -2.760590 26.83388 
1 1 1    5   23   18 o   82.807   12.357  138.179   34.018   91.797   57.526  163.121   42.185   70.228   21.312   95.386   12.513 -25.15794 24.71333 
1 1 1    5   23   20 o  166.597   13.554  507.903   75.365  515.215  130.044  504.205   92.478  166.460   22.103  166.734   15.693 -0.2739563 27.10755 
1 1 1    5   23   22 o  129.266   13.976  328.231   56.806  273.699   97.500  356.255   69.895  118.322   24.132  140.209   14.104 -21.88716 27.95141 
1 1 1    5   23   24 f  138.429   15.553  365.078   76.051  379.293  107.696  350.939  107.409  141.312   21.563  135.546   22.420 5.766541 31.10624 
1 1 1    5   23   26 o   67.283   12.845   87.311   30.280   90.768   51.287   85.461   37.517   68.047   19.999   66.520   16.125 1.527000 25.69037 
1 1 1    5   23   28 o   39.555   8.6849   16.455   15.028  -4.0484   18.467   56.652   25.857   24.797   10.903   54.314   13.522 -29.51725 17.36979 
1 1 1    5   24    1 o  261.353   22.929  1248.47  211.803  1248.47  211.803   0.0000   0.0000  261.353   22.929  ?   ?       ?      ? 
1 1 1    5   24    3 o  325.192   14.270  1886.75  155.701  1818.43  190.689  2023.40  269.696  317.758   16.979  332.626   22.940 -14.86795 28.54007 
1 1 1    5   24    5 o  126.196   10.340  286.301   45.804  246.116   64.275  327.766   65.291  117.057   15.536  135.334   13.650 -18.27751 20.68009 
1 1 1    5   24    7 o   79.538   10.765  115.739   29.571   97.688   41.171  134.975   42.500   72.266   16.484   86.810   13.852 -14.54424 21.53084 
1 1 1    5   24    9 f  202.583   10.584  738.506   75.522  665.908  106.442  812.101  107.171  192.385   15.654  212.780   14.250 -20.39493 21.16872 
1 1 1    5   24   11 o  138.805   10.838  347.201   53.103  363.781   74.650  330.215   75.556  142.241   14.849  135.368   15.792 6.872894 21.67626 
1 1 1    5   24   13 o  145.747   10.556  382.648   54.330  362.085   76.430  403.651   77.244  141.727   15.258  149.766   14.593 -8.039520 21.11261 
1 1 1    5   24   15 o  248.808   11.227  1120.59   98.650  1066.25  139.207  1175.41  139.820  242.615   16.234  255.001   15.513 -12.38600 22.45457 
1 1 1    5   24   17 o   81.027   14.043  120.263   38.475  145.769   65.589  106.882   47.507   87.041   21.457   75.013   18.121 12.02743 28.08515 
1 1 1    5   24   19 o   93.367   14.265  163.162   43.927  182.137   75.126  153.305   54.147   96.751   22.410   89.983   17.656 6.767876 28.52933 
1 1 1    5   24   21 o  151.504   13.470  425.683   68.161  435.751  117.534  420.581   83.666  151.543   21.944  151.465   15.629 0.7841492E-01 26.94010 
1 1 1    5   24   23 o   32.266   8.5542   14.538   13.020   12.580   20.817   15.796   16.687   32.511   12.633   32.021   11.537 0.4901810 17.10844 
1 1 1    5   24   25 o   57.166   18.893   61.440   44.385   0.0000   0.0000   61.440   44.385  ?   ?    57.166   18.893      ?      ? 
1 1 1    5   25    0 o  237.657   17.382  1052.03  144.153  1228.76  203.040  872.392  204.697  258.913   22.187  216.402   26.763 42.51193 34.76389 
1 1 1    5   25    2 o  234.204   14.913  1008.42  121.594  805.825  170.329  1218.97  173.639  209.324   23.022  259.085   18.962 -49.76065 29.82598 
1 1 1    5   25    4 o  189.189   16.761  665.151  110.949  762.015  155.955  565.888  157.874  203.905   21.640  174.473   25.601 29.43150 33.52164 
1 1 1    5   25    6 o  210.051   13.828  821.018   95.655  755.246  164.955  854.339  117.411  202.318   23.068  217.784   15.253 -15.46626 27.65500 
1 1 1    5   25    8 f  244.412   11.069  1080.36   95.265  972.437  134.438  1189.22  135.015  231.875   16.404  256.948   14.867 -25.07242 22.13836 
1 1 1    5   25   10 o   85.386   10.521  133.317   31.047  123.154   43.199  144.175   44.650   81.276   15.605   89.497   14.115 -8.220627 21.04225 
1 1 1    5   25   12 o  221.821   11.186  891.855   87.676  914.161  123.742  869.367  124.245  224.689   15.582  218.953   16.055 5.736298 22.37298 
1 1 1    5   25   14 o  117.832   10.445  251.279   43.452  235.490   60.713  267.860   62.216  113.981   15.070  121.683   14.466 -7.701309 20.88996 
1 1 1    5   25   16 o   71.148   10.795   95.416   26.423   75.801   36.714  116.493   38.057   63.232   16.318   79.064   14.138 -15.83197 21.59047 
1 1 1    5   25   18 o   65.466   12.763   82.795   29.902   75.253   49.959   87.005   37.327   63.355   19.973   67.576   15.894 -4.220982 25.52520 
1 1 1    5   25   20 o  166.769   13.821  530.573   76.328  514.295  131.558  538.833   93.714  162.759   22.869  170.779   15.526 -8.019333 27.64136 
1 1 1    5   25   22 o   65.310   12.736   83.579   29.509   80.887   50.223   84.998   36.467   64.377   19.982   66.243   15.797 -1.866127 25.47251 
1 1 1    5   26    1 o   73.110   9.6271  101.390   23.959   45.064   33.071  163.609   34.758   50.476   16.286   95.745   10.271 -45.26870 19.25427 
1 1 1    5   26    3 o  123.802   10.589  276.683   46.291  261.402   64.958  292.451   65.986  120.276   15.280  127.329   14.662 -7.053673 21.17726 
1 1 1    5   26    5 o  147.983   15.426  432.767   70.541  471.738   85.946  352.319  123.483  161.559   15.051  134.406   26.932 27.15361 30.85250 
1 1 1    5   26    7 f  161.197   14.808  483.851   82.819  377.973  115.947  594.140  118.338  142.299   23.053  180.094   18.591 -37.79430 29.61562 
1 1 1    5   26    9 o  111.386   16.836  241.887   64.275  262.161   89.489  220.282   92.377  116.790   22.495  105.982   25.056 10.80849 33.67265 
1 1 1    5   26   11 o  183.433   13.722  624.846   83.663  615.431  144.271  629.617  102.693  180.936   22.560  185.931   15.627 -4.994370 27.44337 
1 1 1    5   26   13 o   98.494   13.570  189.436   43.574  164.908   74.240  202.326   53.819   91.534   22.981  105.455   14.439 -13.92149 27.14085 
1 1 1    5   26   15 o   78.210   11.415  116.375   30.502  112.680   42.564  120.276   43.734   76.898   16.173   79.523   16.112 -2.625153 22.82906 
1 1 1    5   26   17 o   50.576   11.130   48.825   23.015   23.559   38.494   62.881   28.712   43.719   17.126   57.433   14.220 -13.71402 22.25961 
1 1 1    5   26   19 o   89.936   13.424  168.142   39.915  124.434   68.227  190.886   49.216   78.112   23.098  101.759   13.684 -23.64780 26.84742 
1 1 1    5   27    0 f   96.302   13.548  166.214   42.170  146.559   50.879  209.349   75.371   88.200   16.937  104.404   21.150 -16.20432 27.09561 
1 1 1    5   27    2 o   31.797   8.3609   12.612   12.634   6.4657   16.636   20.985   19.418   27.654   11.118   35.940   12.490 -8.285635 16.72185 
1 1 1    5   27    4 o  243.825   11.397  1085.77   98.201  1058.89  138.597  1112.86  139.159  240.710   16.291  246.940   15.944 -6.229492 22.79475 
1 1 1    5   27    6 o   79.644   11.923  122.130   33.337  164.039   46.425   77.514   47.900   95.115   13.810   64.174   19.441 30.94117 23.84647 
1 1 1    5   27    8 o   44.681   10.910   32.846   20.325   36.877   33.806   30.564   25.436   47.078   16.473   42.284   14.308 4.793846 21.81949 
1 1 1    5   27   10 o   60.629   10.941   69.724   23.718   56.785   32.989   83.567   34.123   54.926   16.011   66.333   14.916 -11.40736 21.88246 
1 1 1    5   27   12 o   57.961   11.946   57.215   24.219   46.048   28.687   84.925   45.189   49.717   15.041   66.206   18.563 -16.48880 23.89166 
1 1 1    5   27   14 o   79.358   16.021  127.667   47.747  148.691   66.093  104.718   69.052   85.949   21.741   72.768   23.539 13.18063 32.04288 
1 1 1    5   27   16 o   81.145   15.360  132.926   45.040  113.830   61.247  155.416   66.466   74.915   21.809   87.375   21.636 -12.46043 30.72079 
1 1 1    5   28    1 o   39.160   9.0544   26.182   15.268   38.103   20.607   11.672   22.734   45.140   12.492   33.180   13.110 11.95959 18.10872 
1 1 1    5   28    3 o   87.201   14.515  162.596   44.072  194.208   53.360   94.752   78.172  102.888   14.673   71.514   25.049 31.37483 29.03028 
1 1 1    5   28    5 o   82.538   11.293  129.942   31.739  133.137   44.357  126.590   45.435   83.741   15.559   81.335   16.371 2.406097 22.58585 
1 1 1    5   28    7 o   79.476   11.693  121.557   31.771  122.488   44.446  120.583   45.432   79.876   16.295   79.077   16.775 0.7991867 23.38674 
1 1 1    5   28    9 o  112.679   10.829  236.222   42.920  209.398   60.341  263.690   61.060  105.897   16.122  119.462   14.461 -13.56485 21.65731 
1 1 1    5   28   11 o  142.030   10.999  377.128   55.212  374.429   77.831  379.863   78.335  141.516   15.561  142.545   15.548 -1.029343 21.99740 
1 1 1    5   28   13 o   72.723   17.538  104.674   44.555   0.0000   0.0000  104.674   44.555  ?   ?    72.723   17.538      ?      ? 
1 1 1    5   29    0 o   42.410   9.9522   32.091   17.403   33.635   23.649   30.266   25.702   42.967   13.762   41.854   14.380 1.113564 19.90440 
1 1 1    5   29    2 o  102.220   10.740  194.967   38.683  176.282   54.161  214.425   55.269   96.998   15.798  107.441   14.554 -10.44276 21.48032 
1 1 1    5   29    4 o   49.377   10.614   36.526   18.628   24.239   21.589   72.325   36.850   37.892   13.170   60.863   16.649 -22.97102 21.22812 
1 1 1    5   29    6 o   62.581   12.098   79.302   27.421   62.109   45.969   88.798   34.164   57.337   19.236   67.826   14.678 -10.48895 24.19578 
1 1 1    6    0    0 o  349.238   12.078  2173.00  209.695  2173.00  209.695  2173.00  209.695  349.238   17.081  349.238   17.081 -0.000000 0.000000 
1 1 1    6    0    2 o  515.272   13.787  4719.27  353.927  4719.27  353.927  4719.27  353.927  515.272   19.497  515.272   19.497 -0.000000 0.000000 
1 1 1    6    0    4 o  785.730   17.339 10974.87  679.483 10974.87  679.483 10974.87  679.483  785.730   24.521  785.730   24.521 -0.000000 0.000000 
1 1 1    6    0    6 o  109.179   11.434  224.356   58.377  224.356   58.377  224.356   58.377  109.179   16.171  109.179   16.171 -0.000000 0.000000 
1 1 1    6    0    8 o  267.223   16.471  1293.88  216.154  1293.88  216.154  1293.88  216.154  267.223   23.293  267.223   23.293 -0.000000 0.000000 
1 1 1    6    0   10 f  210.593   11.153  797.615  115.885  797.615  115.885  797.615  115.885  210.593   15.772  210.593   15.772 -0.000000 0.000000 
1 1 1    6    0   12 o  118.580   11.386  262.072   63.974  262.072   63.974  262.072   63.974  118.580   16.102  118.580   16.102 -0.000000 0.000000 
1 1 1    6    0   16 o  184.170   16.337  628.013  143.979  628.013  143.979  628.013  143.979  184.170   23.104  184.170   23.104 -0.000000 0.000000 
1 1 1    6    0   18 o  685.007   22.676  8374.84  772.548  8374.84  772.548  8374.84  772.548  685.007   32.069  685.007   32.069 -0.000000 0.000000 
1 1 1    6    0   20 o  864.353   18.422 13274.42  794.277 13274.42  794.277 13274.42  794.277  864.353   26.053  864.353   26.053 -0.000000 0.000000 
1 1 1    6    0   22 o  722.208   16.535  9271.72  595.488  9271.72  595.488  9271.72  595.488  722.208   23.384  722.208   23.384 -0.000000 0.000000 
1 1 1    6    0   24 o  238.429   16.302  1036.28  190.108  1036.28  190.108  1036.28  190.108  238.429   23.054  238.429   23.054 -0.000000 0.000000 
1 1 1    6    0   26 o   96.140   18.762  197.429   77.975  197.429   77.975  197.429   77.975   96.140   26.534   96.140   26.534 -0.000000 0.000000 
1 1 1    6    0   28 f  224.242   12.338  908.941  136.368  908.941  136.368  908.941  136.368  224.242   17.449  224.242   17.449 -0.000000 0.000000 
1 1 1    6    0   30 f  274.941   12.897  1362.22  175.453  1362.22  175.453  1362.22  175.453  274.941   18.239  274.941   18.239 -0.000000 0.000000 
1 1 1    6    0   32 o   80.473   18.787  147.947   67.139  147.947   67.139  147.947   67.139   80.473   26.569   80.473   26.569 -0.000000 0.000000 
1 1 1    6    0   34 o  307.767   11.264  1698.37  172.227  1698.37  172.227  1698.37  172.227  307.767   15.930  307.767   15.930 -0.000000 0.000000 
1 1 1    6    0   36 o  221.608   10.731  886.002  117.583  886.002  117.583  886.002  117.583  221.608   15.175  221.608   15.175 -0.000000 0.000000 
1 1 1    6    0   38 o  221.860   11.104  890.428  121.723  890.428  121.723  890.428  121.723  221.860   15.704  221.860   15.704 -0.000000 0.000000 
1 1 1    6    0   40 o   60.991   12.112   80.154   31.962   80.154   31.962   80.154   31.962   60.991   17.129   60.991   17.129 -0.000000 0.000000 
1 1 1    6    1    1 o  816.596   21.866 11904.53  593.826 11761.42  1028.57 11976.08  727.273  811.906   35.843  821.285   25.054 -9.379028 43.73181 
1 1 1    6    1    3 o  506.581   13.606  4552.68  243.467  4735.16  344.324  4370.23  344.306  516.772   18.852  496.390   19.625 20.38181 27.21227 
1 1 1    6    1    5 o  701.706   19.976  8857.03  464.704  8550.01  804.831  9010.57  569.166  691.389   32.935  712.023   22.616 -20.63373 39.95300 
1 1 1    6    1    7 o  596.823   14.736  6333.53  310.233  6790.50  438.742  5876.59  438.729  618.486   20.071  575.161   21.582 43.32489 29.47201 
1 1 1    6    1    9 o  555.286   14.177  5470.66  278.110  5666.68  393.305  5274.62  393.309  565.274   19.686  545.298   20.407 19.97626 28.35437 
1 1 1    6    1   11 o  215.061   13.332  812.706   95.899  799.248  117.443  839.636  166.129  212.491   15.637  217.632   21.597 -5.141129 26.66420 
1 1 1    6    1   13 o  374.347   15.728  2586.94  191.541  2205.74  331.757  2777.55  234.590  352.569   26.623  396.126   16.755 -43.55707 31.45677 
1 1 1    6    1   15 o  284.348   16.155  1433.06  162.354  1422.00  229.496  1444.14  229.710  283.246   22.924  285.449   22.768 -2.202454 32.30960 
1 1 1    6    1   17 o  555.511   14.168  5473.47  277.667  5092.33  392.651  5854.72  392.709  536.097   20.723  574.926   19.326 -38.82977 28.33573 
1 1 1    6    1   19 o  902.433   18.967 14471.51  604.669 14996.69  855.120 13946.29  855.143  918.899   26.329  885.967   27.309 32.93213 37.93409 
1 1 1    6    1   21 o  971.818   24.433 16763.13  793.357 17210.27  1374.03 16539.52  971.698  979.801   39.677  963.836   28.524 15.96539 48.86578 
1 1 1    6    1   23 o  247.053   13.867  1125.84  111.756  968.407  193.049  1205.19  137.057  233.311   23.411  260.794   14.869 -27.48297 27.73342 
1 1 1    6    1   25 o  298.790   14.259  1552.79  143.527  1710.09  248.208  1473.77  175.922  309.597   22.683  287.983   17.284 21.61374 28.51729 
1 1 1    6    1   27 o  171.088   14.220  520.244   85.987   0.0000   0.0000  520.244   85.987  ?   ?   171.088   14.220      ?      ? 
1 1 1    6    1   29 o   95.179   14.896  176.562   47.472  130.678   82.041  199.658   58.205   84.532   25.406  105.826   15.561 -21.29366 29.79266 
1 1 1    6    1   31 o  293.104   15.160  1533.61  157.050   0.0000   0.0000  1533.61  157.050  ?   ?   293.104   15.160      ?      ? 
1 1 1    6    1   33 o  243.602   17.569  1089.28  149.562  911.240  212.347  1264.54  210.687  223.056   26.935  264.148   22.567 -41.09222 35.13891 
1 1 1    6    1   35 o  443.136   18.282  3599.46  286.172  3743.64  405.555  3456.48  403.866  452.269   25.371  434.003   26.328 18.26584 36.56307 
1 1 1    6    1   37 o  192.927   21.343  740.367  132.574  427.069  188.704  1045.71  186.293  146.406   36.574  239.447   22.012 -93.04100 42.68694 
1 1 1    6    1   39 o  120.759   16.805  276.079   70.092  247.337  101.753  302.033   96.691  113.147   25.991  128.370   21.311 -15.22301 33.61064 
1 1 1    6    1   41 o   91.555   22.071  161.677   70.586   0.0000   0.0000  161.677   70.586  ?   ?    91.555   22.071      ?      ? 
1 1 1    6    2    0 o  596.992   14.647  6319.48  309.049  6321.36  437.057  6317.60  437.065  597.081   20.710  596.902   20.717 0.1784668 29.29332 
1 1 1    6    2    2 o  160.120   10.253  453.966   58.025  453.011   82.057  454.922   82.063  159.951   14.515  160.289   14.485 -0.3377533 20.50606 
1 1 1    6    2    4 o  239.535   13.113  978.218  106.316  1153.66  184.130  890.477  130.216  254.925   20.436  224.146   16.437 30.77859 26.22570 
1 1 1    6    2    6 o  302.223   11.621  1620.38  123.990  1530.55  175.343  1710.21  175.354  293.813   16.885  310.633   15.972 -16.81985 23.24197 
1 1 1    6    2    8 o  576.296   14.558  5893.80  296.501  5982.65  419.314  5804.94  419.318  580.658   20.431  571.933   20.743 8.724609 29.11574 
1 1 1    6    2   10 o  139.124   14.859  343.333   73.003  326.620  103.173  360.092  103.312  135.721   21.508  142.527   20.508 -6.806335 29.71845 
1 1 1    6    2   12 f  1062.55   21.609 20063.64  811.486 20272.66  1147.61 19854.61  1147.62  1068.12   30.399  1056.99   30.719 11.13171 43.21732 
1 1 1    6    2   14 f  364.415   14.947  2356.03  181.321  2362.65  222.039  2342.79  314.152  365.338   17.195  363.493   24.453 1.845612 29.89333 
1 1 1    6    2   16 o  872.004   22.714 13480.54  660.751 13634.35  1144.34 13403.61  809.291  874.871   37.008  869.137   26.345 5.733704 45.42709 
1 1 1    6    2   18 o  1342.49   32.685 32694.35  1451.57 33448.25  1777.74 31186.28  2514.33  1369.52   36.727  1315.47   54.078 54.05078 65.37050 
1 1 1    6    2   20 o  741.016   33.425  9791.69  875.417  9791.69  875.417   0.0000   0.0000  741.016   33.425  ?   ?       ?      ? 
1 1 1    6    2   22 o  496.037   16.936  4547.94  273.645  3902.59  473.528  4871.52  335.301  467.934   28.631  524.140   18.100 -56.20612 33.87248 
1 1 1    6    2   24 o  310.822   16.681  1729.70  181.972  1963.09  257.355  1496.35  257.341  332.065   21.928  289.579   25.143 42.48563 33.36158 
1 1 1    6    2   26 o  452.218   18.925  3689.43  300.755  3242.46  425.396  4136.14  425.268  424.261   28.369  480.176   25.058 -55.91537 37.85073 
1 1 1    6    2   28 o  328.301   17.050  1942.19  197.721  1868.57  279.825  2015.59  279.414  321.961   24.590  334.641   23.624 -12.67969 34.09932 
1 1 1    6    2   30 o   64.121   13.654   74.414   33.506   70.879   47.369   77.953   47.401   62.872   19.388   65.370   19.231 -2.498497 27.30820 
1 1 1    6    2   32 o  337.076   14.568  2063.17  162.919  2092.67  199.669  2004.41  281.804  341.899   16.523  332.253   23.997 9.645752 29.13538 
1 1 1    6    2   34 f  368.285   15.203  2412.47  188.336  2596.41  324.820  2319.30  231.158  377.434   24.349  359.137   18.211 18.29675 30.40576 
1 1 1    6    2   36 o  142.299   9.6236  360.984   48.338  340.111   66.454  384.438   70.441  137.940   13.630  146.659   13.589 -8.718750 19.24730 
1 1 1    6    2   38 o   51.772   15.446   48.807   30.407   0.0000   0.0000   48.807   30.407  ?   ?    51.772   15.446      ?      ? 
1 1 1    6    2   40 o   28.504   7.5235   10.413   10.485   16.106   14.148   3.4785   15.615   31.289   10.670   25.718   10.609 5.571745 15.04695 
1 1 1    6    2   42 o  134.035   17.922  350.998   81.660  361.220  106.906  336.680  126.526  138.745   21.801  129.326   28.453 9.418671 35.84464 
1 1 1    6    3    1 o  228.097   11.042  921.688   89.018  912.468  125.894  930.907  125.888  226.953   15.695  229.240   15.537 -2.287231 22.08450 
1 1 1    6    3    3 o  249.752   11.362  1105.89  100.239  1150.29  141.770  1061.50  141.747  254.781   15.743  244.723   16.388 10.05824 22.72474 
1 1 1    6    3    5 o  161.119   13.389  483.944   69.789  399.099  120.772  526.478   85.511  149.831   22.806  172.407   14.033 -22.57565 26.77726 
1 1 1    6    3    7 o  109.182   9.8817  211.508   38.013  192.152   53.745  230.883   53.773  104.163   14.598  114.200   13.322 -10.03641 19.76335 
1 1 1    6    3    9 o  213.657   10.700  808.657   80.728  768.425  114.151  848.911  114.183  208.328   15.503  218.986   14.752 -10.65807 21.40028 
1 1 1    6    3   11 o  714.889   19.503  8963.66  467.216  8735.91  572.238  9419.06  809.190  701.936   23.065  727.842   31.455 -25.90637 39.00565 
1 1 1    6    3   13 o  626.609   21.312  6974.43  471.973  6898.23  667.278  7050.72  667.663  623.167   30.296  630.050   29.982 -6.883667 42.62348 
1 1 1    6    3   15 o  790.357   34.754 11114.99  970.840 11114.99  970.840   0.0000   0.0000  790.357   34.754  ?   ?       ?      ? 
1 1 1    6    3   17 o  1453.64   56.181 38097.63  2886.44 38097.63  2886.44   0.0000   0.0000  1453.64   56.181  ?   ?       ?      ? 
1 1 1    6    3   19 o  679.126   22.210  8218.67  532.481  7758.84  752.923  8678.79  753.160  659.964   32.278  698.288   30.516 -38.32465 44.42000 
1 1 1    6    3   21 o  114.270   22.210  239.746   86.472  239.746   86.472   0.0000   0.0000  114.270   22.210  ?   ?       ?      ? 
1 1 1    6    3   23 o  461.785   17.209  3941.12  258.944  4207.16  317.062  3408.25  448.724  486.834   18.427  436.735   29.070 50.09879 34.41778 
1 1 1    6    3   25 o  468.709   15.570  3812.98  246.000  3581.90  301.212  4275.82  426.295  448.558   18.999  488.860   24.672 -40.30243 31.13964 
1 1 1    6    3   27 o  320.933   12.114  1836.35  137.395  1861.48  194.053  1811.09  194.558  323.158   16.990  318.708   17.272 4.449371 24.22732 
1 1 1    6    3   29 f  329.427   12.262  1940.07  142.708  1868.59  201.556  2011.92  202.084  323.277   17.640  335.577   17.038 -12.30005 24.52487 
1 1 1    6    3   31 o  157.650   11.233  444.401   62.564  455.118   88.025  433.460   88.939  159.603   15.604  155.698   16.162 3.905350 22.46555 
1 1 1    6    3   33 f  212.715   13.626  810.985   96.796  803.270  118.649  826.338  167.378  211.849   15.846  213.582   22.172 -1.732697 27.25275 
1 1 1    6    3   35 o  158.214   15.027  453.891   83.944  477.988  118.808  429.870  118.621  162.513   20.684  153.915   21.805 8.598465 30.05496 
1 1 1    6    3   37 o  121.887   11.148  267.622   47.723  273.456   64.423  260.529   71.042  123.487   14.760  120.287   16.710 3.199951 22.29556 
1 1 1    6    3   39 o  203.361   11.781  606.354   76.218  415.081   88.043  1178.42  152.262  151.541   16.438  255.181   16.882 -103.6405 23.56272 
1 1 1    6    3   41 o  100.339   17.479  156.026   53.749  118.734   60.517  295.352  116.972   78.651   21.261  122.027   27.748 -43.37578 34.95737 
1 1 1    6    4    0 o  509.150   19.348  4599.77  348.188   0.0000   0.0000  4599.77  348.188  ?   ?   509.150   19.348      ?      ? 
1 1 1    6    4    2 o  209.844   14.213  801.274   97.962  727.237  169.833  838.189  119.922  202.206   23.763  217.481   15.601 -15.27521 28.42698 
1 1 1    6    4    4 o  392.819   15.920  2830.67  204.565  2500.18  354.402  2995.79  250.510  374.606   26.767  411.033   17.244 -36.42688 31.84056 
1 1 1    6    4    6 o  752.303   24.114 10059.34  641.173   0.0000   0.0000 10059.34  641.173  ?   ?   752.303   24.114      ?      ? 
1 1 1    6    4    8 o  657.589   19.068  7717.61  416.849  7592.38  721.867  7780.26  510.582  652.916   31.281  662.263   21.813 -9.346619 38.13534 
1 1 1    6    4   10 f  1116.16   32.022 22159.01  1263.28   0.0000   0.0000 22159.01  1263.28  ?   ?   1116.16   32.022      ?      ? 
1 1 1    6    4   14 o  598.368   20.618  6370.94  434.645  5785.38  614.598  6956.82  614.763  570.673   30.471  626.063   27.782 -55.38940 41.23507 
1 1 1    6    4   16 o  395.412   17.825  2784.25  247.708  3123.85  350.282  2444.53  350.341  419.716   23.613  371.108   26.710 48.60794 35.65056 
1 1 1    6    4   18 o  993.292   23.503 17313.87  783.106 16772.30  959.081 18397.18  1356.45  971.484   27.932  1015.10   37.807 -43.61621 47.00599 
1 1 1    6    4   20 o  716.688   15.656  9122.07  396.228  8682.54  560.136  9562.28  560.567  699.324   22.662  734.051   21.606 -34.72754 31.31122 
1 1 1    6    4   22 o  493.898   14.605  4082.06  244.949  3493.71  299.855  5262.20  424.675  443.675   19.122  544.121   22.082 -100.4456 29.21060 
1 1 1    6    4   24 o  129.771   14.836  317.472   60.459  338.832   73.539  272.927  106.199  138.193   15.056  121.349   25.567 16.84315 29.67121 
1 1 1    6    4   26 o  139.450   12.173  327.050   57.180  287.465   69.375  410.905  100.973  127.134   15.439  151.765   18.824 -24.63058 24.34557 
1 1 1    6    4   28 f  231.308   13.213  923.121  103.311  848.450  126.504  1072.64  179.009  218.084   16.412  244.532   20.712 -26.44762 26.42609 
1 1 1    6    4   30 o  207.883   15.599  780.002  114.522  815.430  161.948  744.565  161.969  212.706   21.542  203.061   22.568 9.645279 31.19831 
1 1 1    6    4   32 o  172.229   15.398  536.573   93.676  516.065  132.515  557.057  132.440  168.861   22.203  175.597   21.339 -6.736328 30.79529 
1 1 1    6    4   34 o   82.672   14.605  128.298   42.654  141.378   60.521  115.387   60.125   86.817   20.117   78.528   21.178 8.289299 29.20939 
1 1 1    6    4   36 o  164.516   14.327  473.966   81.139  347.128  105.382  658.635  127.156  138.122   21.587  190.911   18.844 -52.78915 28.65470 
1 1 1    6    4   38 f  295.519   18.612  1639.74  192.291  1832.66  265.755  1427.75  278.579  315.263   23.850  275.776   28.581 39.48682 37.22461 
1 1 1    6    4   40 o  207.951   22.372  802.089  164.434  802.089  164.434   0.0000   0.0000  207.951   22.372  ?   ?       ?      ? 
1 1 1    6    4   42 o  161.045   22.055  489.488  125.540  489.488  125.540   0.0000   0.0000  161.045   22.055  ?   ?       ?      ? 
1 1 1    6    5    1 o  274.401   22.747  1338.52  220.616   0.0000   0.0000  1338.52  220.616  ?   ?   274.401   22.747      ?      ? 
1 1 1    6    5    3 o  483.428   26.793  4162.35  457.790   0.0000   0.0000  4162.35  457.790  ?   ?   483.428   26.793      ?      ? 
1 1 1    6    5    5 o  613.430   29.956  6705.92  649.491   0.0000   0.0000  6705.92  649.491  ?   ?   613.430   29.956      ?      ? 
1 1 1    6    5    7 o  990.892   40.911 17572.38  1432.80   0.0000   0.0000 17572.38  1432.80  ?   ?   990.892   40.911      ?      ? 
1 1 1    6    5    9 o  581.222   29.069  6001.79  597.172   0.0000   0.0000  6001.79  597.172  ?   ?   581.222   29.069      ?      ? 
1 1 1    6    5   11 o  799.460   23.800 11407.68  668.857 12770.69  946.189 10046.31  945.623  847.667   31.581  751.254   35.613 96.41321 47.59928 
1 1 1    6    5   13 o  984.027   40.590 17270.50  1411.71 17270.50  1411.71   0.0000   0.0000  984.027   40.590  ?   ?       ?      ? 
1 1 1    6    5   15 o  145.989   12.487  368.910   61.411  404.831  106.172  350.850   75.282  151.173   19.871  140.805   15.127 10.36896 24.97345 
1 1 1    6    5   17 o  577.038   19.902  5900.60  405.902   0.0000   0.0000  5900.60  405.902  ?   ?   577.038   19.902      ?      ? 
1 1 1    6    5   19 o  960.939   23.495 16244.36  756.995 17177.02  1310.86 15777.71  927.230  980.045   37.843  941.833   27.854 38.21179 46.98919 
1 1 1    6    5   21 o  716.354   20.044  9130.46  478.810  9198.09  828.929  9096.59  586.559  717.326   32.695  715.383   23.198 1.942993 40.08884 
1 1 1    6    5   23 o  372.721   17.129  2478.41  225.515  2380.36  318.681  2576.77  319.172  365.269   24.684  380.173   23.753 -14.90369 34.25703 
1 1 1    6    5   25 o  193.266   15.253  666.592  104.116  633.300  144.462  702.576  150.187  188.238   21.713  198.295   21.429 -10.05737 30.50692 
1 1 1    6    5   27 o  167.143   12.836  526.304   69.738  422.759  118.443  581.248   86.278  153.469   21.836  180.816   13.500 -27.34700 25.67213 
1 1 1    6    5   29 o  125.291   13.391  299.562   53.383  244.603   89.613  329.792   66.462  114.499   22.943  136.083   13.818 -21.58320 26.78292 
1 1 1    6    5   31 o  140.143   13.912  391.459   59.748  271.422  100.715  456.644   74.219  120.187   24.539  160.099   13.116 -39.91164 27.82465 
1 1 1    6    5   33 o   69.980   13.780   90.726   35.494  101.951   50.341   79.629   50.052   73.879   19.129   66.082   19.840 7.796562 27.55957 
1 1 1    6    5   35 o  220.271   24.512  1012.97  169.036  1536.69  235.629  457.654  242.630  290.290   22.966  150.253   43.312 140.0364 49.02398 
1 1 1    6    5   37 o  141.346   21.493  364.646  107.375  364.646  107.375   0.0000   0.0000  141.346   21.493  ?   ?       ?      ? 
1 1 1    6    5   39 o  144.526   21.613  384.637  110.404  384.637  110.404   0.0000   0.0000  144.526   21.613  ?   ?       ?      ? 
1 1 1    6    5   41 o  240.999   23.004  1092.48  195.944  1092.48  195.944   0.0000   0.0000  240.999   23.004  ?   ?       ?      ? 
1 1 1    6    5   43 o   66.417   16.857   81.528   49.875  102.978   56.053  -0.0014  109.281   72.460   20.798   60.374   26.535 12.08599 33.71386 
1 1 1    6    6    6 f  142.340   21.220  359.185  106.758  359.185  106.758   0.0000   0.0000  142.340   21.220  ?   ?       ?      ? 
1 1 1    6    6    8 o  1285.48   34.989 29654.32  1588.56 30931.76  2246.86 28377.54  2246.28  1313.58   48.395  1257.37   50.545 56.21289 69.97764 
1 1 1    6    6   10 o  687.867   18.329  8123.47  425.822  9297.61  737.725  7536.83  521.459  723.628   28.844  652.106   22.625 71.52246 36.65874 
1 1 1    6    6   12 o  473.080   19.000  3979.52  316.682  4341.55  447.750  3617.15  447.961  494.742   25.606  451.418   28.076 43.32422 37.99916 
1 1 1    6    6   14 o  593.353   18.274  6192.77  362.779  6413.19  628.321  6082.55  444.322  600.838   29.587  585.868   21.457 14.96942 36.54893 
1 1 1    6    6   16 o  327.140   16.647  1899.54  192.322  1989.59  272.012  1809.53  271.955  334.927   22.978  319.354   24.094 15.57269 33.29433 
1 1 1    6    6   18 o  357.968   15.868  2285.65  198.789  1906.40  279.612  2673.24  282.673  327.671   24.143  388.265   20.599 -60.59375 31.73647 
1 1 1    6    6   20 o  739.255   24.081  9774.41  628.938 10090.13  888.677  9457.59  890.230  751.367   33.464  727.143   34.639 24.22406 48.16276 
1 1 1    6    6   22 f  470.287   16.063  3982.49  250.379  3805.32  432.714  4071.67  306.989  461.706   26.516  478.868   18.138 -17.16251 32.12640 
1 1 1    6    6   24 o  183.806   13.571  737.576   68.606  342.321  116.232  948.912   84.991  136.165   25.075  231.447   10.390 -95.28183 27.14239 
1 1 1    6    6   26 o   66.562   11.555   66.145   27.160   33.422   32.680  139.219   48.836   46.137   16.194   86.986   16.488 -40.84815 23.11040 
1 1 1    6    6   28 o  354.252   14.829  2185.28  177.631  2494.45  306.570  2029.03  217.943  371.827   23.328  336.677   18.315 35.15033 29.65831 
1 1 1    6    6   30 o   82.983   16.537  129.909   51.203  152.008   67.898  100.770   77.966   90.035   21.611   75.932   25.038 14.10350 33.07442 
1 1 1    6    6   32 o  219.483   12.828  870.912   94.093  848.768  160.643  882.477  116.091  216.737   20.970  222.229   14.780 -5.491852 25.65565 
1 1 1    6    6   34 o  145.069   19.720  415.226   96.720  539.849  131.270  267.223  143.054  172.543   21.525  117.595   33.047 54.94728 39.43911 
1 1 1    6    6   36 o  222.574   15.862  901.906  124.557  849.077  170.154  962.898  182.828  215.610   22.328  229.538   22.536 -13.92783 31.72378 
1 1 1    6    6   38 o  204.862   17.118  781.422  122.839  810.334  165.268  745.734  183.618  209.843   22.283  199.881   25.991 9.962570 34.23545 
1 1 1    6    6   40 o   70.132   16.744   90.957   50.293  115.298   59.337   28.863   94.773   77.600   21.085   62.664   26.017 14.93607 33.48807 
1 1 1    6    6   42 o   33.196   12.790   13.557   21.196   13.557   21.196   0.0000   0.0000   33.196   12.790  ?   ?       ?      ? 
1 1 1    6    7    1 o  101.503   22.068  189.869   76.913  189.869   76.913   0.0000   0.0000  101.503   22.068  ?   ?       ?      ? 
1 1 1    6    7    3 o  1055.23   30.366 19947.16  1132.07 19287.59  1600.97 20606.78  1601.02  1037.55   43.657  1072.92   42.219 -35.37000 60.73229 
1 1 1    6    7    5 o  594.685   20.892  6297.69  437.787  6863.21  619.136  5732.21  619.114  621.589   28.181  567.781   30.851 53.80853 41.78489 
1 1 1    6    7    7 o  1211.43   34.090 26340.41  1455.22 28673.95  2057.98 24006.81  2058.00  1265.93   45.995  1156.93   50.329 109.0020 68.18051 
1 1 1    6    7    9 o  966.815   28.717 16722.50  976.676 18575.40  1381.18 14869.31  1381.28  1021.04   38.272  912.586   42.824 108.4562 57.43407 
1 1 1    6    7   11 o  1026.90   29.588 18820.17  1073.86 18617.54  1518.46 19022.90  1518.88  1021.32   42.065  1032.48   41.622 -11.16559 59.17651 
1 1 1    6    7   13 o  415.712   15.344  3043.66  213.217  3121.14  369.169  3004.88  261.183  419.471   24.900  411.954   17.938 7.517303 30.68871 
1 1 1    6    7   15 o  469.642   15.718  3889.41  246.682  3977.46  427.025  3845.31  302.209  473.357   25.524  465.928   18.351 7.428680 31.43616 
1 1 1    6    7   17 o  927.358   38.959 15383.63  1276.96 15383.63  1276.96   0.0000   0.0000  927.358   38.959  ?   ?       ?      ? 
1 1 1    6    7   19 f  452.239   16.930  3624.65  270.617   0.0000   0.0000  3624.65  270.617  ?   ?   452.239   16.930      ?      ? 
1 1 1    6    7   21 o  102.309   13.996  182.872   47.430  233.646   79.497  154.809   59.101  112.909   20.683   91.709   18.863 21.20029 27.99276 
1 1 1    6    7   23 o  439.272   15.388  3361.55  227.813  3711.92  393.770  3185.28  279.301  455.510   24.458  423.034   18.680 32.47635 30.77575 
1 1 1    6    7   25 o  745.213   19.808 10055.28  491.089  9996.32  849.840 10084.84  601.725  740.681   32.463  749.744   22.707 -9.063599 39.61631 
1 1 1    6    7   27 o  242.833   15.211  1060.07  130.131  951.671  181.889  1173.74  186.254  229.945   22.380  255.721   20.607 -25.77652 30.42247 
1 1 1    6    7   29 o  164.634   13.886  486.837   79.177  366.695  108.417  624.151  115.906  142.601   21.511  186.666   17.568 -44.06494 27.77297 
1 1 1    6    7   31 o   89.186   15.481  149.626   48.609  131.051   68.788  168.154   68.699   83.656   22.690   94.717   21.066 -11.06065 30.96153 
1 1 1    6    7   33 o  165.084   16.600  499.572   96.106  539.221  131.832  454.601  140.401  172.489   21.624  157.678   25.193 14.81165 33.20070 
1 1 1    6    7   35 o  181.288   14.141  591.208   88.590  437.377  119.688  777.598  131.747  154.955   21.854  207.622   17.953 -52.66615 28.28272 
1 1 1    6    7   37 o  203.788   14.422  744.876  101.600  553.558  135.326  992.026  153.810  173.756   22.035  233.820   18.612 -60.06403 28.84353 
1 1 1    6    7   39 o   62.296   15.544   62.600   47.525  101.839   55.508 -45.1557   91.984   73.294   20.581   51.298   23.301 21.99563 31.08864 
1 1 1    6    7   41 o   55.254   14.589   42.158   42.761   78.481   48.618 -81.9495   89.866   64.522   19.595   45.986   21.619 18.53592 29.17751 
1 1 1    6    7   43 o  116.864   23.316  275.788   92.929  275.788   92.929   0.0000   0.0000  116.864   23.316  ?   ?       ?      ? 
1 1 1    6    8    0 o  1017.26   29.484 18518.45  1058.35 19724.58  1496.78 17312.45  1496.70  1050.80   40.301  983.715   43.047 67.08789 58.96807 
1 1 1    6    8    2 o  1349.03   37.076 32965.80  1746.72 38720.82  2470.36 27211.94  2470.11  1469.72   47.556  1228.34   56.895 241.3719 74.15301 
1 1 1    6    8    4 o  982.126   28.899 17255.11  999.596 18912.34  1413.62 15597.78  1413.66  1029.87   38.836  934.383   42.806 95.48615 57.79732 
1 1 1    6    8    6 o  812.576   25.018 11752.59  718.501 11668.98  1015.96 11836.24  1016.27  809.665   35.502  815.487   35.259 -5.821960 50.03584 
1 1 1    6    8    8 o  1031.79   29.930 19005.74  1091.15 19525.18  1542.94 18486.06  1543.31  1046.03   41.733  1017.54   42.912 28.49670 59.85930 
1 1 1    6    8   10 o  1050.04   30.408 19695.28  1128.10 20322.50  1595.17 19067.73  1595.59  1066.95   42.300  1033.14   43.696 33.81213 60.81654 
1 1 1    6    8   12 o  141.998   14.772  358.047   73.835  319.535  104.033  397.134  104.808  134.268   21.922  149.727   19.805 -15.45883 29.54326 
1 1 1    6    8   14 o  310.857   12.923  1713.47  133.858  1706.23  231.555  1717.11  164.045  310.242   21.117  311.472   14.901 -1.229523 25.84528 
1 1 1    6    8   16 o  217.662   11.720  798.346   86.687  988.081  149.562  702.358  106.379  236.150   17.919  199.174   15.111 36.97575 23.44008 
1 1 1    6    8   20 o  522.716   16.840  4811.88  294.912  5032.37  510.344  4701.34  361.354  531.008   27.192  514.423   19.874 16.58563 33.68077 
1 1 1    6    8   22 o  438.373   14.015  3385.84  189.028  3497.59  377.640  3348.47  218.351  442.327   24.155  434.420   14.221 7.906494 28.03064 
1 1 1    6    8   24 o  294.121   12.974  1538.90  127.444  1557.27  220.163  1529.65  156.291  294.984   21.117  293.259   15.079 1.725311 25.94770 
1 1 1    6    8   26 o  201.216   12.590  750.422   76.143  671.851  151.540  776.959   88.068  193.285   22.182  209.148   11.914 -15.86253 25.17920 
1 1 1    6    8   28 o   44.273   10.685   32.412   19.945   25.922   32.153   36.471   25.428   43.089   15.937   45.458   14.236 -2.369553 21.36938 
1 1 1    6    8   30 o   92.397   15.523  154.388   48.528  186.411   80.970  136.438   60.622   99.457   23.421   85.338   20.380 14.11953 31.04618 
1 1 1    6    8   32 o  273.224   13.115  1330.51  120.305  1385.55  206.868  1302.37  147.884  276.710   21.152  269.738   15.512 6.971558 26.23002 
1 1 1    6    8   34 o  102.185   22.241  197.115   78.046  197.115   78.046   0.0000   0.0000  102.185   22.241  ?   ?       ?      ? 
1 1 1    6    8   36 o   68.543   15.678   79.428   49.928  134.614   63.359 -10.9921   81.100   84.285   21.268   52.800   23.040 31.48477 31.35609 
1 1 1    6    8   38 f  122.951   26.285  293.607  110.766   0.0000   0.0000  293.607  110.766  ?   ?   122.951   26.285      ?      ? 
1 1 1    6    8   40 o  102.589   28.553  211.924  107.331   0.0000   0.0000  211.924  107.331  ?   ?   102.589   28.553      ?      ? 
1 1 1    6    9    1 o  1367.86   32.499 33764.34  1473.39 32602.76  2552.04 34345.09  1804.51  1347.08   53.601  1388.65   36.766 -41.56458 64.99859 
1 1 1    6    9    3 o  487.500   15.744  4110.89  258.451  4538.95  447.742  3897.00  316.504  505.894   25.041  469.106   19.089 36.78848 31.48710 
1 1 1    6    9    5 o  583.812   20.638  6052.20  425.852  6101.85  602.075  6002.49  602.415  586.220   29.058  581.403   29.316 4.816772 41.27694 
1 1 1    6    9    7 o  884.724   26.530 13942.25  829.576 13887.83  1172.94 13996.71  1173.45  882.985   37.584  886.464   37.453 -3.478760 53.05913 
1 1 1    6    9    9 o  211.911   14.779  806.789  108.197  609.557  152.581  1006.28  153.451  185.428   23.281  238.393   18.212 -52.96490 29.55816 
1 1 1    6    9   11 o  1034.04   30.485 19141.29  1112.26 20409.91  1572.70 17871.82  1573.23  1068.77   41.633  999.319   44.542 69.45013 60.96976 
1 1 1    6    9   13 o  270.730   12.416  1286.39  112.613  1334.73  194.632  1262.07  138.072  274.427   20.066  267.033   14.629 7.394440 24.83282 
1 1 1    6    9   15 o  333.014   15.642  1977.66  173.156  1938.26  299.696  1997.40  212.149  330.280   25.673  335.749   17.877 -5.469238 31.28442 
1 1 1    6    9   17 o  597.741   17.232  6148.26  347.955  7035.44  602.417  5704.10  426.249  628.639   27.113  566.842   21.276 61.79633 34.46384 
1 1 1    6    9   19 o  335.975   18.883  2004.43  224.238   0.0000   0.0000  2004.43  224.238  ?   ?   335.975   18.883      ?      ? 
1 1 1    6    9   21 o  382.241   12.867  2543.84  152.114  2713.37  303.874  2487.15  175.714  389.981   22.046  374.502   13.275 15.47830 25.73421 
1 1 1    6    9   23 o  206.045   11.874  738.710   75.862  792.883  151.138  720.465   87.712  210.606   20.304  201.485   12.317 9.121185 23.74779 
1 1 1    6    9   25 o  193.516   13.285  727.226   81.263  526.501  139.778  829.707   99.876  171.003   23.127  216.030   13.081 -45.02647 26.56976 
1 1 1    6    9   27 f  117.406   14.187  250.225   54.425  256.962   93.388  246.760   66.975  117.288   23.348  117.523   16.124 -0.2348251 28.37474 
1 1 1    6    9   29 o  130.552   13.884  320.488   57.822  284.312   99.129  339.144   71.188  123.277   23.611  137.826   14.613 -14.54886 27.76715 
1 1 1    6    9   31 o  380.536   14.789  2748.54  167.261  2368.66  333.704  2876.00  193.294  359.621   26.254  401.451   13.623 -41.82971 29.57795 
1 1 1    6    9   33 o  131.173   14.077  307.735   65.264   0.0000   0.0000  307.735   65.264  ?   ?   131.173   14.077      ?      ? 
1 1 1    6    9   39 o   50.342   17.229   43.068   36.885   43.068   36.885   0.0000   0.0000   50.342   17.229  ?   ?       ?      ? 
1 1 1    6    9   41 o  151.617   17.500  454.750   90.873  468.816  122.650  437.631  135.308  156.401   22.187  146.832   27.070 9.568848 35.00082 
1 1 1    6    9   43 o   92.520   16.892  163.541   53.033  130.565   64.092  235.144   94.444   79.820   22.008  105.220   25.632 -25.40064 33.78359 
1 1 1    6   10    0 o  905.633   22.713 14196.27  693.248 15828.94  1200.85 13380.16  849.013  942.992   36.030  868.274   27.665 74.71765 45.42603 
1 1 1    6   10    2 f  872.040   21.567 13291.66  631.312 14196.99  1093.49 12839.03  773.188  893.299   34.634  850.780   25.713 42.51953 43.13500 
1 1 1    6   10    4 o  387.000   14.029  2627.32  181.753  2731.02  314.733  2575.43  222.628  392.543   22.685  381.457   16.513 11.08588 28.05821 
1 1 1    6   10    6 o  422.497   16.525  3170.02  232.420  3148.07  402.527  3181.00  284.668  421.172   27.041  423.822   19.004 -2.649414 33.05038 
1 1 1    6   10    8 o  773.353   20.868 10624.06  537.682 10630.82  931.184 10620.68  658.561  772.850   34.089  773.856   24.078 -1.005859 41.73522 
1 1 1    6   10   10 o  528.039   19.764  4953.94  368.807  5042.88  521.247  4864.77  521.897  532.812   27.679  523.265   28.219 9.546753 39.52771 
1 1 1    6   10   12 o  279.250   16.485  1385.33  162.468  1467.78  229.336  1302.27  230.195  287.637   22.558  270.864   24.045 16.77350 32.97029 
1 1 1    6   10   14 o  179.314   15.500  571.010   98.163  591.208  138.127  550.400  139.531  182.537   21.409  176.091   22.419 6.446426 30.99951 
1 1 1    6   10   16 o  975.651   23.386 16737.88  765.874 17900.20  1326.31 16156.42  938.081  999.036   37.561  952.266   27.872 46.77014 46.77276 
1 1 1    6   10   18 o  514.511   19.420  4728.13  353.106  4809.54  499.449  4646.77  499.285  518.985   27.228  510.036   27.697 8.948975 38.83900 
1 1 1    6   10   20 o  508.555   15.284  4530.28  239.883  4785.73  479.430  4444.98  277.058  516.823   26.246  500.288   15.669 16.53461 30.56728 
1 1 1    6   10   22 f  530.062   15.100  4909.34  247.609  5279.12  494.892  4785.86  285.977  541.497   25.858  518.628   15.601 22.86926 30.19983 
1 1 1    6   10   24 o  139.373   13.104  389.759   54.951  261.470   94.260  455.802   67.632  118.546   23.328  160.199   11.945 -41.65276 26.20782 
1 1 1    6   10   26 o  164.650   12.699  482.314   73.904   0.0000   0.0000  482.314   73.904  ?   ?   164.650   12.699      ?      ? 
1 1 1    6   10   28 o  166.557   15.502  495.858   91.255   0.0000   0.0000  495.858   91.255  ?   ?   166.557   15.502      ?      ? 
1 1 1    6   10   30 o  175.961   13.769  552.601   85.630   0.0000   0.0000  552.601   85.630  ?   ?   175.961   13.769      ?      ? 
1 1 1    6   10   32 o  289.011   15.329  1527.08  154.541  1244.27  217.511  1815.38  219.611  261.094   23.570  316.928   19.605 -55.83435 30.65820 
1 1 1    6   10   34 o  233.716   14.700  1009.21  118.243  1268.09  167.425  751.583  167.017  264.971   17.877  202.460   23.340 62.51053 29.39983 
1 1 1    6   10   36 o   50.920   13.469   36.779   30.256   38.916   35.385   30.967   58.343   48.655   16.864   53.185   21.005 -4.530235 26.93704 
1 1 1    6   10   38 o   99.116   18.361  200.806   68.148  261.220   89.565  117.739  105.023  116.655   22.539   81.576   28.991 35.07819 36.72134 
1 1 1    6   10   40 o   77.345   16.282  112.567   45.892  101.807   56.342  133.778   79.106   72.455   20.867   82.234   24.999 -9.779251 32.56386 
1 1 1    6   10   42 o  108.616   17.249  239.786   63.742  217.482   82.476  272.868  100.446  103.029   23.206  114.202   25.527 -11.17328 34.49848 
1 1 1    6   11    1 f  728.219   21.900  9627.51  525.028  8845.97  909.320 10018.35  643.045  704.786   36.504  751.652   24.205 -46.86627 43.79972 
1 1 1    6   11    3 o  845.883   23.149 12874.08  648.259 12290.90  1122.72 13165.74  793.987  830.368   38.254  861.398   26.079 -31.02936 46.29801 
1 1 1    6   11    5 o  772.070   21.814 10634.57  560.024 10482.39  969.910 10710.69  685.915  767.132   35.772  777.008   24.976 -9.876770 43.62830 
1 1 1    6   11    7 o  763.023   19.763 10104.29  507.647 11114.41  879.195  9599.10  621.765  790.442   31.470  735.604   23.915 54.83734 39.52542 
1 1 1    6   11    9 o  229.985   15.855  938.724  128.777  979.260  181.730  897.841  182.509  234.995   21.880  224.975   22.952 10.01982 31.71044 
1 1 1    6   11   11 o  140.011   10.972  360.411   50.218  310.357   86.496  385.861   61.677  132.340   18.492  147.682   11.816 -15.34213 21.94499 
1 1 1    6   11   13 o  692.164   18.106  8418.92  419.943  8834.50  727.099  8210.91  514.416  704.181   29.214  680.148   21.399 24.03284 36.21275 
1 1 1    6   11   15 o  253.056   15.854  1138.12  141.799  1126.77  199.957  1149.60  201.115  251.783   22.469  254.328   22.373 -2.544464 31.70863 
1 1 1    6   11   17 o  414.863   18.899  3087.53  275.334  3481.20  388.964  2692.17  389.799  441.773   24.911  387.953   28.428 53.81964 37.79802 
1 1 1    6   11   21 o   82.754   16.188  126.088   45.653   0.0000   0.0000  126.088   45.653  ?   ?    82.754   16.188      ?      ? 
1 1 1    6   11   23 f  434.093   18.747  3371.44  287.637   0.0000   0.0000  3371.44  287.637  ?   ?   434.093   18.747      ?      ? 
1 1 1    6   11   25 o  336.947   24.019  2054.82  286.051   0.0000   0.0000  2054.82  286.051  ?   ?   336.947   24.019      ?      ? 
1 1 1    6   11   27 o  230.061   14.149  968.766  107.407  907.481  185.872  999.489  131.605  223.692   23.509  236.430   15.749 -12.73795 28.29701 
1 1 1    6   11   29 o  109.202   13.599  224.851   47.708  200.434   82.015  237.339   58.652  103.138   23.075  115.267   14.397 -12.12946 27.19812 
1 1 1    6   11   31 o  107.267   12.653  203.310   41.473  226.698   81.291  195.080   48.221  109.982   21.683  104.551   13.049 5.430634 25.30691 
1 1 1    6   11   33 o  247.629   12.488  1066.60   96.563  1193.52  191.765  1023.48  111.768  256.013   21.193  239.244   13.218 16.76918 24.97673 
1 1 1    6   11   35 o   80.347   12.498  119.743   33.864  128.998   54.422  113.895   43.259   82.634   19.027   78.059   16.210 4.575447 24.99556 
1 1 1    6   11   37 o  181.019   15.681  607.331  100.174  574.550  137.248  644.701  146.542  175.844   22.083  186.194   22.268 -10.34946 31.36102 
1 1 1    6   11   39 o   78.114   16.939  120.397   51.006  132.902   63.882   98.406   84.716   82.415   21.650   73.813   26.058 8.601822 33.87889 
1 1 1    6   11   41 o   60.623   14.738   59.551   34.267   48.604   39.603   92.159   68.351   52.141   17.852   69.106   23.454 -16.96482 29.47523 
1 1 1    6   12    0 o  231.774   13.089  935.352  101.955  1002.68  176.326  901.536  124.964  237.861   20.974  225.686   15.666 12.17528 26.17848 
1 1 1    6   12    2 o  189.633   13.823  640.665   87.177  626.510  150.672  647.788  106.884  187.967   22.679  191.299   15.808 -3.331940 27.64510 
1 1 1    6   12    4 f  1078.12   27.284 20871.86  976.681 20390.21  1691.53 21112.74  1196.23  1066.82   44.861  1089.42   31.067 -22.59888 54.56778 
1 1 1    6   12    6 o  427.577   13.196  3153.29  190.276  3521.05  329.302  2968.97  233.133  445.658   20.906  409.495   16.108 36.16318 26.39175 
1 1 1    6   12    8 o  414.826   17.810  3056.32  261.119  3022.98  368.767  3089.85  369.793  412.549   25.290  417.104   25.084 -4.554901 35.62028 
1 1 1    6   12   10 o  515.489   17.196  4725.06  295.223  4708.34  511.137  4733.43  361.646  514.347   28.116  516.632   19.805 -2.284851 34.39165 
1 1 1    6   12   12 o  338.253   14.842  2018.44  167.836  2069.44  290.439  1992.88  205.649  341.203   24.084  335.302   17.353 5.901611 29.68401 
1 1 1    6   12   14 o  341.770   15.565  2055.35  178.157  2144.03  308.383  2010.93  218.265  346.928   25.150  336.613   18.346 10.31494 31.12984 
1 1 1    6   12   16 o  124.143   14.922  273.359   65.475   0.0000   0.0000  273.359   65.475  ?   ?   124.143   14.922      ?      ? 
1 1 1    6   12   18 o  295.047   23.134  1557.29  241.243   0.0000   0.0000  1557.29  241.243  ?   ?   295.047   23.134      ?      ? 
1 1 1    6   12   22 o  274.148   22.900  1353.31  221.888  1353.31  221.888   0.0000   0.0000  274.148   22.900  ?   ?       ?      ? 
1 1 1    6   12   24 f  265.021   16.096  1268.45  150.769  1280.75  213.273  1256.17  213.167  266.332   22.656  263.710   22.870 2.621765 32.19266 
1 1 1    6   12   26 o  316.787   15.360  1840.22  160.734  1733.91  277.903  1893.66  197.034  308.498   25.487  325.076   17.149 -16.57837 30.71930 
1 1 1    6   12   28 o  150.339   13.167  424.667   59.245  371.824  117.714  442.593   68.561  143.045   23.283  157.634   12.306 -14.58913 26.33480 
1 1 1    6   12   30 o  117.145   13.280  252.639   46.326  248.954   91.461  253.910   53.727  114.980   23.304  119.310   12.741 -4.329834 26.55933 
1 1 1    6   12   32 o  166.266   12.000  512.514   60.481  468.863  119.398  527.580   70.147  160.516   21.045  172.016   11.538 -11.50002 24.00062 
1 1 1    6   12   34 o  207.575   12.395  762.369   79.844  818.810  158.486  743.171   92.431  211.436   21.208  203.714   12.837 7.722275 24.79023 
1 1 1    6   12   36 o  184.195   16.504  634.709  107.053  660.169  147.443  606.323  155.684  188.608   22.118  179.781   24.501 8.827286 33.00743 
1 1 1    6   12   38 o   89.796   13.665  137.650   42.708   84.989   53.087  234.260   71.903   67.018   20.502  112.574   18.071 -45.55621 27.32922 
1 1 1    6   12   40 o   71.977   15.696   99.492   42.541   90.750   53.020  115.291   71.278   68.055   20.417   75.899   23.846 -7.844650 31.39211 
1 1 1    6   13    1 o  1016.16   24.121 18119.93  822.542 19319.84  1424.54 17519.79  1007.46  1039.72   38.765  992.607   28.716 47.11523 48.24240 
1 1 1    6   13    3 o  396.642   16.023  2807.28  211.186  2744.34  365.530  2838.81  258.738  393.011   26.315  400.274   18.289 -7.263519 32.04594 
1 1 1    6   13    5 o  529.266   16.943  4950.42  299.478  5043.92  518.533  4903.63  366.846  532.602   27.546  525.929   19.735 6.673645 33.88558 
1 1 1    6   13    7 o  309.539   16.399  1701.54  179.401  1671.10  253.240  1732.20  254.184  306.750   23.358  312.328   23.026 -5.578796 32.79895 
1 1 1    6   13    9 o  377.038   14.366  2492.30  181.572  2617.29  314.227  2429.64  222.473  383.819   23.163  370.257   17.000 13.56165 28.73213 
1 1 1    6   13   11 o  506.438   19.058  4551.82  341.134   0.0000   0.0000  4551.82  341.134  ?   ?   506.438   19.058      ?      ? 
1 1 1    6   13   13 o  316.544   23.441  1784.84  262.257   0.0000   0.0000  1784.84  262.257  ?   ?   316.544   23.441      ?      ? 
1 1 1    6   13   15 o  523.456   27.851  4913.96  515.276   0.0000   0.0000  4913.96  515.276  ?   ?   523.456   27.851      ?      ? 
1 1 1    6   13   17 f  309.243   16.519  1713.36  180.547  1733.43  255.390  1693.30  255.274  311.078   23.228  307.408   23.495 3.670044 33.03857 
1 1 1    6   13   19 o  516.549   17.108  4747.31  295.949  4977.69  512.356  4631.96  362.548  524.407   27.643  508.692   20.165 15.71539 34.21611 
1 1 1    6   13   21 o  187.945   12.718  636.853   79.426  616.450  136.974  647.189   97.489  185.264   20.918  190.626   14.470 -5.362473 25.43512 
1 1 1    6   13   23 o  297.918   15.967  1605.19  167.662  1464.77  236.448  1747.19  237.779  284.525   23.512  311.310   21.610 -26.78479 31.93476 
1 1 1    6   13   25 o  197.158   15.402  702.545  107.306  684.155  151.001  721.307  152.517  194.515   21.964  199.801   21.597 -5.286575 30.80340 
1 1 1    6   13   27 o  206.424   14.061  784.438   95.685  722.322  165.023  815.897  117.442  199.329   23.424  213.519   15.562 -14.18993 28.12190 
1 1 1    6   13   29 o   67.558   11.774   86.954   25.846   75.873   49.895   91.018   30.216   64.712   19.889   70.405   12.605 -5.693611 23.54712 
1 1 1    6   13   31 o  285.726   13.814  1500.32  119.812  1437.56  238.737  1521.44  138.519  279.797   24.141  291.655   13.438 -11.85822 27.62897 
1 1 1    6   13   33 o  162.686   13.048  502.324   63.675  437.444  125.624  524.756   73.866  154.074   23.069  171.298   12.200 -17.22453 26.09627 
1 1 1    6   13   35 o  159.908   13.448  464.034   72.589  483.266  123.203  453.808   89.839  161.616   21.568  158.200   16.067 3.416489 26.89503 
1 1 1    6   13   37 o  297.295   16.346  1675.62  171.160  1503.94  238.911  1856.65  245.332  280.798   24.073  313.793   22.120 -32.99423 32.69239 
1 1 1    6   13   39 o   46.972   12.827   28.835   26.206   27.344   29.653   34.152   55.994   41.966   15.340   51.978   20.562 -10.01238 25.65407 
1 1 1    6   14    0 o  673.538   19.618  8014.42  441.739  8248.48  764.944  7897.32  541.078  680.143   31.821  666.933   22.954 13.21014 39.23566 
1 1 1    6   14    2 o  776.130   21.287 10644.32  552.641 11014.95  957.033 10458.91  676.905  785.170   34.486  767.090   24.967 18.08020 42.57489 
1 1 1    6   14    4 o  654.649   17.676  7548.57  387.290  7840.09  670.555  7402.64  474.420  663.435   28.597  645.862   20.783 17.57324 35.35101 
1 1 1    6   14    6 o  257.718   14.686  1176.37  133.771   0.0000   0.0000  1176.37  133.771  ?   ?   257.718   14.686      ?      ? 
1 1 1    6   14    8 o  315.499   23.402  1770.48  260.961   0.0000   0.0000  1770.48  260.961  ?   ?   315.499   23.402      ?      ? 
1 1 1    6   14   10 o  545.711   28.320  5321.72  546.230   0.0000   0.0000  5321.72  546.230  ?   ?   545.711   28.320      ?      ? 
1 1 1    6   14   12 o  370.655   17.321  2461.77  225.668  2167.43  319.116  2756.21  319.171  348.184   25.931  393.126   22.971 -44.94205 34.64192 
1 1 1    6   14   14 o  589.199   18.372  6358.92  356.255  5851.75  616.724  6612.91  436.438  569.479   30.640  608.919   20.279 -39.44055 36.74317 
1 1 1    6   14   16 o  240.352   14.079  1037.85  112.498  1015.82  194.420  1048.94  137.935  237.961   23.116  242.743   16.077 -4.782654 28.15721 
1 1 1    6   14   18 o  168.816   13.021  536.316   71.043  437.438  122.528  586.391   87.196  156.038   22.217  181.594   13.585 -25.55598 26.04136 
1 1 1    6   14   20 o  222.770   15.698  894.299  123.505  854.860  174.662  933.740  174.664  217.761   22.693  227.779   21.695 -10.01822 31.39545 
1 1 1    6   14   22 o  241.535   14.120  1037.09  114.277  1087.48  197.622  1011.77  140.071  245.255   22.798  237.815   16.664 7.440277 28.23919 
1 1 1    6   14   24 o  231.506   13.300  1001.14  100.351  859.053  173.110  1073.06  123.156  217.804   22.487  245.208   14.210 -27.40408 26.60089 
1 1 1    6   14   26 o  289.441   15.771  1522.61  160.613  1354.81  226.312  1692.89  227.980  272.944   23.459  305.937   21.084 -32.99265 31.54121 
1 1 1    6   14   28 o  247.953   16.124  1119.83  141.295  1122.72  199.001  1116.89  200.653  248.317   22.674  247.589   22.929 0.7287445 32.24701 
1 1 1    6   14   30 o  169.468   13.156  537.069   72.922  469.083  125.530  571.696   89.588  160.285   22.158  178.650   14.188 -18.36552 26.31147 
1 1 1    6   14   32 o  145.029   12.594  397.941   54.799  348.275  108.281  415.041   63.536  137.660   22.255  152.397   11.796 -14.73679 25.18750 
1 1 1    6   14   34 o  231.777   13.083  1013.70   91.208  918.419  180.985  1046.14  105.598  222.103   23.055  241.450   12.374 -19.34737 26.16595 
1 1 1    6   14   36 o  121.474   14.498  272.522   59.154  186.534   77.921  389.487   90.879   97.533   22.981  145.414   17.682 -47.88145 28.99650 
1 1 1    6   14   38 o   77.441   16.508  120.268   48.483  124.935   62.133  113.003   77.523   79.154   21.605   75.729   24.966 3.424904 33.01651 
1 1 1    6   15    1 o  690.051   22.776  8463.82  555.501   0.0000   0.0000  8463.82  555.501  ?   ?   690.051   22.776      ?      ? 
1 1 1    6   15    3 o  542.183   28.196  5244.19  540.332   0.0000   0.0000  5244.19  540.332  ?   ?   542.183   28.196      ?      ? 
1 1 1    6   15    5 f  177.564   21.497  560.531  134.911   0.0000   0.0000  560.531  134.911  ?   ?   177.564   21.497      ?      ? 
1 1 1    6   15    7 o  248.956   22.390  1103.40  197.015  1103.40  197.015   0.0000   0.0000  248.956   22.390  ?   ?       ?      ? 
1 1 1    6   15    9 o  504.199   19.351  4551.45  344.845  4520.47  487.687  4582.44  487.682  502.461   27.461  505.938   27.272 -3.477509 38.70250 
1 1 1    6   15   11 o  364.329   15.188  2407.58  182.745  2257.47  316.224  2482.85  223.923  354.987   25.204  373.671   16.955 -18.68387 30.37566 
1 1 1    6   15   13 o  464.524   16.303  3831.98  253.376  3975.74  438.618  3759.99  310.406  470.001   26.404  459.047   19.132 10.95413 32.60648 
1 1 1    6   15   15 o  296.005   14.522  1576.51  142.877  1546.22  247.096  1591.73  175.120  293.184   23.845  298.826   16.580 -5.642609 29.04338 
1 1 1    6   15   17 o   56.482   9.7127   63.108   20.067   30.556   33.596   81.162   25.020   45.327   16.365   67.636   10.466 -22.30837 19.42530 
1 1 1    6   15   19 o  265.759   14.532  1274.17  128.414  1256.60  222.137  1282.99  157.375  263.593   23.843  267.925   16.619 -4.331635 29.06355 
1 1 1    6   15   21 f  328.477   23.905  1956.68  277.535   0.0000   0.0000  1956.68  277.535  ?   ?   328.477   23.905      ?      ? 
1 1 1    6   15   23 o  146.542   13.758  397.068   66.225  356.775  114.181  417.495   81.297  140.242   23.035  152.841   15.049 -12.59929 27.51550 
1 1 1    6   15   25 o  280.653   14.927  1456.82  137.751  1333.58  238.176  1518.76  168.858  270.241   24.936  291.064   16.414 -20.82318 29.85329 
1 1 1    6   15   27 o  456.479   16.999  3792.56  258.850  3868.91  447.969  3754.29  317.157  457.371   27.711  455.587   19.696 1.784332 33.99804 
1 1 1    6   15   29 o  122.495   13.652  274.064   54.776  281.409   93.304  270.201   67.663  122.361   22.400  122.630   15.611 -0.2686310 27.30306 
1 1 1    6   15   31 o   48.866   11.977   34.928   24.491   24.035   30.218   55.784   41.813   41.477   15.428   56.255   18.325 -14.77853 23.95497 
1 1 1    6   15   33 o  236.388   13.682  1008.27  108.736  1080.52  187.363  971.576  133.523  241.420   21.958  231.357   16.329 10.06334 27.36376 
1 1 1    6   15   35 o   72.568   15.523  101.113   43.814  118.983   59.562   80.040   64.678   78.351   21.056   66.784   22.814 11.56779 31.04628 
1 1 1    6   15   37 o   80.129   15.551  126.129   45.020  111.651   59.140  146.083   69.427   75.056   21.303   85.202   22.661 -10.14662 31.10184 
1 1 1    6   15   39 o   93.924   15.996  179.757   52.304  151.999   69.232  216.671   79.836   85.494   22.577  102.354   22.666 -16.85934 31.99183 
1 1 1    6   16    0 o  423.454   18.052  3200.12  270.167  3168.46  382.115  3231.76  382.032  421.340   25.659  425.569   25.399 -4.229828 36.10370 
1 1 1    6   16    2 o  218.277   14.487  910.661  100.584  1021.32  123.208  689.555  174.162  239.999   14.525  196.555   25.070 43.44415 28.97346 
1 1 1    6   16    4 o  294.243   13.299  1533.07  130.722  1558.74  226.071  1520.18  160.223  295.798   21.624  292.688   15.488 3.109680 26.59828 
1 1 1    6   16    6 o  404.185   17.782  2922.68  254.027  2909.71  358.835  2935.72  359.664  403.280   25.175  405.089   25.120 -1.808807 35.56414 
1 1 1    6   16    8 o  550.570   18.075  5458.51  330.702  5368.73  572.507  5503.47  405.126  545.761   29.680  555.378   20.639 -9.617554 36.15014 
1 1 1    6   16   10 o  620.707   18.872  7042.44  386.748  6629.66  669.524  7249.15  473.790  604.675   31.327  636.739   21.053 -32.06409 37.74407 
1 1 1    6   16   12 o  374.573   15.450  2543.00  191.640  2435.53  331.655  2596.87  234.807  367.580   25.528  381.566   17.411 -13.98550 30.90004 
1 1 1    6   16   14 o  237.391   13.813  1035.40  107.685  934.347  186.165  1086.21  132.012  227.837   23.118  246.943   15.125 -19.10599 27.62631 
1 1 1    6   16   16 o  371.778   15.416  2522.68  189.399  2385.61  327.751  2591.40  232.071  362.823   25.558  380.732   17.246 -17.90875 30.83231 
1 1 1    6   16   18 o  266.174   13.870  1313.73  120.745  1158.75  208.751  1391.65  148.020  253.087   23.337  279.260   14.997 -26.17253 27.73976 
1 1 1    6   16   20 o  254.798   14.180  1192.85  119.004  1100.78  205.768  1239.13  145.874  246.331   23.634  263.265   15.677 -16.93398 28.36092 
1 1 1    6   16   22 o  520.933   20.088  4894.70  369.855   0.0000   0.0000  4894.70  369.855  ?   ?   520.933   20.088      ?      ? 
1 1 1    6   16   24 o  480.492   17.766  4372.31  277.770  3793.85  480.685  4662.31  340.349  452.302   30.068  508.682   18.930 -56.37997 35.53127 
1 1 1    6   16   26 o  387.867   15.938  2781.74  204.109  2625.52  352.963  2860.22  250.181  377.319   26.467  398.415   17.766 -21.09631 31.87683 
1 1 1    6   16   28 f  143.531   12.940  374.988   61.799  365.375  106.346  379.890   75.936  141.556   21.255  145.505   14.766 -3.948776 25.88085 
1 1 1    6   16   30 o  215.265   13.701  838.475   98.747  864.686  170.170  825.168  121.250  216.748   22.213  213.783   16.047 2.964493 27.40291 
1 1 1    6   16   32 o   48.685   12.040   36.029   25.960   54.709   39.081   21.278   34.728   55.221   17.692   42.148   16.334 13.07249 24.07912 
1 1 1    6   16   34 o   87.528   15.342  141.857   46.678  110.305   59.296  193.270   75.692   75.518   21.295   99.538   22.092 -24.02001 30.68436 
1 1 1    6   16   36 o   70.008   23.243   94.377   67.148   0.0000   0.0000   94.377   67.148  ?   ?    70.008   23.243      ?      ? 
1 1 1    6   17    1 o  299.920   16.699  1610.41  176.884  1678.80  249.709  1541.54  250.596  306.400   23.058  293.439   24.162 12.96109 33.39901 
1 1 1    6   17    3 o  268.953   15.514  1295.53  146.893  1159.72  207.039  1433.19  208.444  254.579   23.010  283.327   20.815 -28.74750 31.02765 
1 1 1    6   17    5 o  495.073   19.812  4424.06  346.096  4707.43  489.008  4139.65  489.901  511.307   27.059  478.840   28.947 32.46671 39.62456 
1 1 1    6   17    7 o  431.723   16.064  3377.33  229.687  3239.12  397.555  3446.58  281.405  423.880   26.536  439.565   18.113 -15.68460 32.12836 
1 1 1    6   17    9 o   84.591   12.441  136.248   34.695  111.253   59.329  149.238   42.771   77.538   21.090   91.644   13.205 -14.10509 24.88291 
1 1 1    6   17   11 o  117.670   13.065  267.702   48.009  209.452   82.540  297.484   59.019  105.970   22.720  129.371   12.907 -23.40052 26.13019 
1 1 1    6   17   13 f  178.522   13.710  569.909   81.684  575.551  141.168  567.070  100.153  178.770   22.342  178.274   15.895 0.4962311 27.41920 
1 1 1    6   17   15 o  167.723   13.415  499.809   75.374  520.020  130.206  489.622   92.437  169.864   21.688  165.582   15.795 4.281845 26.82953 
1 1 1    6   17   17 o  125.054   13.557  295.720   53.744  256.092   92.560  315.874   66.011  117.013   23.200  133.094   14.032 -16.08158 27.11377 
1 1 1    6   17   19 o  164.484   14.156  494.387   77.012  467.377  133.021  508.005   94.451  160.463   23.454  168.505   15.859 -8.041504 28.31282 
1 1 1    6   17   21 o  386.589   17.880  2733.93  243.680  2516.39  344.631  2951.43  344.599  370.668   26.306  402.509   24.222 -31.84045 35.75912 
1 1 1    6   17   23 o  156.372   13.169  455.996   67.358  396.797  115.883  486.203   82.778  147.810   22.182  164.934   14.200 -17.12476 26.33767 
1 1 1    6   17   25 o  318.866   15.046  1893.72  157.483  1719.52  272.292  1981.28  193.045  305.769   25.195  331.964   16.453 -26.19489 30.09176 
1 1 1    6   17   27 o  286.617   15.911  1478.55  161.181   0.0000   0.0000  1478.55  161.181  ?   ?   286.617   15.911      ?      ? 
1 1 1    6   17   29 o  118.848   13.330  271.395   50.591  230.366   85.455  293.534   62.774  109.889   22.751  127.808   13.896 -17.91921 26.65954 
1 1 1    6   17   31 o   54.666   14.256   55.947   27.829   0.0000   0.0000   55.947   27.829  ?   ?    54.666   14.256      ?      ? 
1 1 1    6   18    0 o  310.924   11.219  1722.20  123.170  1632.15  173.993  1812.66  174.385  302.714   16.262  319.134   15.460 -16.42007 22.43827 
1 1 1    6   18    2 o  513.858   13.382  4717.65  243.037  4687.53  343.543  4747.82  343.870  512.201   18.977  515.515   18.873 -3.313904 26.76361 
1 1 1    6   18    4 o  224.977   16.074  910.386  127.613  965.396  180.034  854.839  180.912  231.938   21.962  218.016   23.478 13.92168 32.14846 
1 1 1    6   18    6 o  179.922   15.769  582.832  100.022  627.617  141.042  537.521  141.867  187.015   21.338  172.830   23.224 14.18530 31.53837 
1 1 1    6   18    8 o   88.743   16.150  147.307   52.911  201.635   74.264   91.297   75.404  104.212   20.890   73.273   24.636 30.93860 32.30007 
1 1 1    6   18   10 o  246.031   16.170  1092.11  140.510  1135.63  198.326  1048.26  199.099  251.064   22.350  240.998   23.374 10.06622 32.33983 
1 1 1    6   18   12 o  135.528   13.291  325.715   60.427  341.277  104.260  317.844   74.151  137.640   21.431  133.417   15.725 4.223221 26.58156 
1 1 1    6   18   14 o   89.040   13.795  143.553   40.527  162.409   69.648  133.899   49.832   93.082   21.589   84.997   17.179 8.084785 27.58962 
1 1 1    6   18   16 o  112.880   13.093  248.087   46.240  192.426   79.506  276.538   56.842  101.167   22.783  124.592   12.908 -23.42492 26.18554 
1 1 1    6   18   18 o   76.311   15.032  108.505   42.080  113.479   58.496  103.171   60.578   77.919   20.836   74.704   21.673 3.215355 30.06447 
1 1 1    6   18   20 o  124.136   13.347  312.845   50.073  207.318   85.988  366.990   61.593  104.739   23.772  143.534   12.141 -38.79505 26.69303 
1 1 1    6   18   22 o   38.937   14.453   21.000   26.489   0.0000   0.0000   21.000   26.489  ?   ?    38.937   14.453      ?      ? 
1 1 1    6   18   24 o  221.377   14.227  919.879  102.930  803.022  177.309  979.276  126.411  209.179   23.982  233.575   15.312 -24.39655 28.45380 
1 1 1    6   18   26 o  148.344   15.370  395.907   80.585   0.0000   0.0000  395.907   80.585  ?   ?   148.344   15.370      ?      ? 
1 1 1    6   18   28 o  190.758   22.121  671.911  149.146   0.0000   0.0000  671.911  149.146  ?   ?   190.758   22.121      ?      ? 
1 1 1    6   18   30 o   76.660   21.091  112.642   58.939   0.0000   0.0000  112.642   58.939  ?   ?    76.660   21.091      ?      ? 
1 1 1    6   18   32 o  149.316   15.543  423.572   81.782  459.075  115.731  388.159  115.583  156.027   20.986  142.604   22.932 13.42340 31.08507 
1 1 1    6   18   34 o   22.360   8.0639  -3.5267   2.9525  -3.5608   2.9624   1.5389   36.091   8.1549   3.8614   36.564   15.659 -28.40956 16.12779 
1 1 1    6   19    1 o  140.326   10.557  350.868   52.340  338.157   73.809  363.726   74.232  137.752   15.160  142.901   14.697 -5.148651 21.11472 
1 1 1    6   19    3 o  246.766   15.866  1097.34  138.198  1033.90  195.392  1160.84  195.492  239.491   23.083  254.042   21.772 -14.55179 31.73116 
1 1 1    6   19    5 f  195.462   11.415  686.879   78.020  799.590  110.221  573.692  110.453  211.813   14.723  179.110   17.448 32.70294 22.82947 
1 1 1    6   19    7 o  315.425   14.624  1766.60  154.603  1860.71  267.526  1719.41  189.439  320.831   23.592  310.020   17.289 10.81152 29.24872 
1 1 1    6   19    9 o  359.357   16.710  2343.16  211.299  2090.27  298.316  2597.77  299.331  339.393   24.869  379.320   22.327 -39.92709 33.42065 
1 1 1    6   19   11 o  244.293   15.016  1085.27  127.743  872.642  180.074  1300.67  181.244  219.523   23.209  269.063   19.059 -49.54022 30.03127 
1 1 1    6   19   13 o  156.687   14.283  445.108   78.020  358.990  109.416  534.188  111.282  140.894   21.972  172.479   18.254 -31.58487 28.56544 
1 1 1    6   19   15 o  144.200   16.926  387.259   83.127  455.373  117.050  317.947  118.075  158.777   20.858  129.623   26.662 29.15404 33.85145 
1 1 1    6   19   17 o   44.998   10.062   35.627   17.517   33.312   29.317   36.913   21.846   44.974   15.360   45.023   13.002 -0.4868698E-01 20.12392 
1 1 1    6   19   19 o  171.776   14.135  525.737   81.585  557.768  140.594  509.475  100.176  175.109   22.716  168.443   16.826 6.666183 28.26947 
1 1 1    6   19   21 o  208.924   15.416  783.027  113.839   0.0000   0.0000  783.027  113.839  ?   ?   208.924   15.416      ?      ? 
1 1 1    6   19   23 o  154.561   21.640  436.133  118.215   0.0000   0.0000  436.133  118.215  ?   ?   154.561   21.640      ?      ? 
1 1 1    6   19   25 o  120.632   22.636  275.660   92.966   0.0000   0.0000  275.660   92.966  ?   ?   120.632   22.636      ?      ? 
1 1 1    6   19   27 o   57.881   13.178   60.017   30.634   60.836   43.539   59.213   43.110   58.204   18.677   57.557   18.597 0.6466331 26.35632 
1 1 1    6   19   29 o   88.840   13.832  147.081   40.934  167.132   68.631  136.009   50.999   92.990   21.335   84.690   17.612 8.300217 27.66474 
1 1 1    6   19   31 o  137.777   13.213  358.325   60.847  342.222  102.771  367.016   75.502  134.070   21.688  141.484   15.099 -7.413864 26.42596 
1 1 1    6   19   33 o   50.673   13.171   42.059   30.580   47.262   38.316   32.930   50.753   51.385   17.560   49.961   19.636 1.423885 26.34245 
1 1 1    6   20    0 o  249.091   11.341  1108.96   99.800  1146.85  140.943  1070.85  141.334  253.412   15.736  244.771   16.337 8.640869 22.68287 
1 1 1    6   20    2 f   6.6449   1.9976  -1.6923   1.0515   1.0495   1.4172  -5.0499   1.5684   8.9325   3.3375   4.3572   2.1961 4.575282 3.995229 
1 1 1    6   20    4 o  113.488   14.380  245.672   51.829  263.076   63.218  209.990   90.519  121.427   14.730  105.549   24.702 15.87765 28.76020 
1 1 1    6   20    6 o  246.207   11.190  1083.72   97.338  1048.60  137.512  1119.00  137.801  242.165   16.066  250.249   15.580 -8.083374 22.37964 
1 1 1    6   20    8 o  327.736   11.730  1927.11  135.385  1738.12  191.271  2116.86  191.656  311.392   17.379  344.079   15.760 -32.68768 23.46038 
1 1 1    6   20   10 o  158.503   13.278  433.259   71.301  516.275  123.350  391.602   87.378  169.159   20.631  147.846   16.721 21.31255 26.55651 
1 1 1    6   20   12 o  224.779   13.805  915.843  103.104  893.534  178.046  927.099  126.467  221.950   22.696  227.607   15.721 -5.657303 27.60920 
1 1 1    6   20   14 o  257.948   14.256  1180.83  123.565  1267.60  213.520  1137.14  151.514  264.167   22.869  251.729   17.029 12.43837 28.51266 
1 1 1    6   20   16 o  199.097   22.326  720.079  157.107   0.0000   0.0000  720.079  157.107  ?   ?   199.097   22.326      ?      ? 
1 1 1    6   20   22 o   75.597   14.799  107.529   40.967   99.399   57.931  115.661   57.941   72.953   21.203   78.242   20.650 -5.288582 29.59707 
1 1 1    6   20   24 o  130.244   14.482  316.555   61.179  310.529  104.708  319.679   75.386  127.495   24.120  132.992   16.038 -5.496948 28.96490 
1 1 1    6   20   26 o   46.918   11.138   37.873   22.208   24.287   34.792   47.214   28.849   43.152   16.444   50.685   15.027 -7.533226 22.27621 
1 1 1    6   20   28 o  191.298   13.582  674.270   87.156  693.290  149.244  664.427  107.367  191.920   22.002  190.674   15.932 1.245956 27.16408 
1 1 1    6   20   30 o   44.356   10.586   33.901   20.753   12.949   33.061   47.524   26.659   38.452   15.598   50.261   14.316 -11.80878 21.17190 
1 1 1    6   20   32 o   70.212   13.658   85.479   34.803   53.197   42.706  149.318   60.055   54.080   18.538   86.343   20.062 -32.26303 27.31537 
1 1 1    6   21    1 o  120.547   11.355  261.377   48.013  296.916   67.721  225.459   68.081  128.937   14.860  112.158   17.174 16.77927 22.71086 
1 1 1    6   21    3 o  237.919   15.134  1078.12  115.717  1178.07  141.552  876.745  200.919  256.670   15.603  219.168   25.937 37.50214 30.26884 
1 1 1    6   21    5 o  127.268   10.563  289.406   47.511  286.588   66.984  292.259   67.399  126.642   14.965  127.894   14.910 -1.252068 21.12503 
1 1 1    6   21    7 o  279.091   11.627  1395.62  114.676  1415.38  161.928  1375.73  162.425  281.107   16.298  277.076   16.586 4.030396 23.25306 
1 1 1    6   21    9 o  167.209   12.687  513.134   70.007  471.007  120.450  534.624   86.030  161.381   21.117  173.037   14.067 -11.65587 25.37322 
1 1 1    6   21   11 o  208.474   15.507  778.043  114.261   0.0000   0.0000  778.043  114.261  ?   ?   208.474   15.507      ?      ? 
1 1 1    6   21   13 o  285.260   23.254  1481.94  234.452   0.0000   0.0000  1481.94  234.452  ?   ?   285.260   23.254      ?      ? 
1 1 1    6   21   15 o   39.620   14.632   22.139   27.082   0.0000   0.0000   22.139   27.082  ?   ?    39.620   14.632      ?      ? 
1 1 1    6   21   17 o  209.921   15.672  804.661  116.173  843.856  164.361  765.530  164.225  215.197   21.609  204.646   22.705 10.55093 31.34436 
1 1 1    6   21   19 o  407.569   15.940  3024.76  216.939  3106.48  375.209  2983.72  265.887  409.311   25.936  405.827   18.537 3.484344 31.87911 
1 1 1    6   21   21 o  133.887   15.271  332.677   70.434  295.527   97.520  373.190  101.839  124.864   22.943  142.911   20.162 -18.04683 30.54280 
1 1 1    6   21   25 o   68.033   12.805   88.701   30.757   81.151   50.869   93.051   38.616   65.871   20.052   70.194   15.930 -4.323479 25.60933 
1 1 1    6   21   27 o   83.107   13.540  135.242   37.793  124.236   63.460  141.291   47.046   79.675   21.870   86.539   15.970 -6.863724 27.08033 
1 1 1    6   21   29 o   31.287   7.9246   11.561   12.797  -9.3607   19.591   27.132   16.901   24.138   10.878   38.435   11.526 -14.29780 15.84920 
1 1 1    6   21   31 o   61.465   11.081   57.415   25.640   20.600   31.221  133.676   44.935   39.789   15.468   83.140   15.870 -43.35064 22.16168 
1 1 1    6   22    0 o  102.156   10.119  186.384   36.535  184.940   51.366  187.863   51.976  101.757   14.282  102.554   14.339 -0.7966843 20.23840 
1 1 1    6   22    2 o  137.587   17.498  356.532   81.904  432.332  114.597  277.380  117.103  154.630   20.968  120.543   28.018 34.08727 34.99527 
1 1 1    6   22    4 o  248.129   10.590  1106.52   92.059  935.909  129.779  1279.30  130.605  228.561   16.065  267.698   13.804 -39.13669 21.18090 
1 1 1    6   22    6 o  202.062   14.097  749.153   94.110  701.583  162.406  773.202  115.474  196.346   23.402  207.779   15.724 -11.43311 28.19419 
1 1 1    6   22    8 o   45.119   11.318   31.684   22.629   32.689   31.918   30.668   32.086   45.478   16.001   44.760   16.012 0.7180595 22.63663 
1 1 1    6   22   10 o  115.016   22.546  248.545   88.377   0.0000   0.0000  248.545   88.377  ?   ?   115.016   22.546      ?      ? 
1 1 1    6   22   12 o  267.867   16.275  1310.45  154.086  1305.37  217.906  1315.52  217.914  267.331   23.062  268.402   22.971 -1.071503 32.55037 
1 1 1    6   22   14 o  188.822   12.998  647.818   81.698  633.752  140.632  654.983  100.372  186.540   21.330  191.104   14.860 -4.564148 25.99613 
1 1 1    6   22   16 o  318.819   14.510  1877.65  152.850  1772.81  264.026  1930.49  187.458  310.240   24.078  327.397   16.200 -17.15619 29.02075 
1 1 1    6   22   18 o  221.039   13.465  933.403   96.222  766.855  165.640  1018.23  118.213  203.954   22.978  238.124   14.046 -34.16972 26.93088 
1 1 1    6   22   20 o   65.700   12.500   83.104   29.398   67.385   48.740   92.094   36.858   61.276   19.771   70.125   15.301 -8.848976 25.00037 
1 1 1    6   22   22 o  150.815   13.502  432.101   66.656  376.113  114.127  461.087   82.117  141.936   22.750  159.695   14.549 -17.75920 27.00395 
1 1 1    6   22   24 o  196.180   23.043  728.564  159.778   0.0000   0.0000  728.564  159.778  ?   ?   196.180   23.043      ?      ? 
1 1 1    6   22   26 o   44.941   12.087   24.089   28.797   47.975   36.693 -14.2133   46.465   51.742   17.182   38.140   17.004 13.60189 24.17325 
1 1 1    6   22   28 o   40.146   11.017   6.2537   27.414   46.010   34.290 -64.1681   45.636   50.227   16.606   30.064   14.482 20.16335 22.03380 
1 1 1    6   23    1 o  153.916   22.436  430.901  122.051   0.0000   0.0000  430.901  122.051  ?   ?   153.916   22.436      ?      ? 
1 1 1    6   23    3 o  256.573   16.327  1207.59  146.553  1015.30  207.244  1399.94  207.271  235.366   24.912  277.781   21.111 -42.41435 32.65461 
1 1 1    6   23    5 o  289.113   16.515  1527.20  168.667  1470.47  238.500  1583.96  238.562  283.561   23.797  294.666   22.906 -11.10403 33.03003 
1 1 1    6   23    7 o  334.197   14.454  1996.15  161.895  1933.70  198.253  2121.14  280.484  327.758   17.114  340.636   23.297 -12.87830 28.90722 
1 1 1    6   23    9 o  152.134   10.499  415.181   56.330  380.970   79.082  450.416   80.256  145.693   15.357  158.575   14.319 -12.88264 20.99743 
1 1 1    6   23   11 f  223.723   13.911  875.393  105.399  1024.04  181.907  800.270  129.319  236.851   21.730  210.595   17.374 26.25601 27.82140 
1 1 1    6   23   13 f  283.034   14.204  1446.69  134.501  1495.24  232.280  1422.21  164.972  285.270   23.038  280.798   16.622 4.471832 28.40833 
1 1 1    6   23   15 o  147.883   13.056  391.232   65.056  417.935  111.578  377.479   80.076  151.076   20.896  144.689   15.658 6.386795 26.11171 
1 1 1    6   23   17 o  275.620   13.967  1421.80  126.654  1298.88  218.217  1484.24  155.531  264.535   23.339  286.704   15.348 -22.16919 27.93373 
1 1 1    6   23   19 o   42.289   10.490   28.497   19.103   31.044   30.186   26.795   24.673   44.041   15.554   40.537   14.080 3.503460 20.98017 
1 1 1    6   23   21 o   95.143   13.962  168.239   43.770  191.801   74.375  155.754   54.138   99.531   21.750   90.755   17.512 8.775803 27.92365 
1 1 1    6   23   23 o   26.247   7.2346   6.7290   9.9961   0.0000   14.448   12.908   13.845   23.325   9.9460   29.170   10.509 -5.844967 14.46929 
1 1 1    6   23   25 o  121.312   14.130  294.884   54.369  252.755   92.944  316.798   67.034  111.466   24.279  131.159   14.460 -19.69275 28.25904 
1 1 1    6   23   27 o   34.605   8.6108   17.787   14.251   0.7663   21.608   30.891   18.959   28.458   12.150   40.753   12.205 -12.29510 17.22158 
1 1 1    6   24    0 o  171.081   15.398  533.570   93.105  527.164  131.226  540.063  132.118  170.033   21.836  172.130   21.716 -2.096725 30.79602 
1 1 1    6   24    2 o  308.181   12.225  1715.21  132.838  1844.06  187.450  1585.22  188.276  320.077   16.570  296.286   17.979 23.79080 24.44980 
1 1 1    6   24    4 o  193.337   10.696  671.310   72.977  625.179  102.670  718.416  103.750  186.531   15.573  200.143   14.667 -13.61244 21.39217 
1 1 1    6   24    6 o  312.088   11.826  1755.75  130.432  1776.94  184.141  1734.41  184.778  314.027   16.591  310.149   16.856 3.877869 23.65125 
1 1 1    6   24    8 o  105.301   10.282  198.933   38.192  182.556   53.275  216.248   54.781  100.798   14.954  109.805   14.115 -9.006378 20.56347 
1 1 1    6   24   10 o  211.173   10.623  804.707   78.801  700.239  110.941  911.078  111.947  197.066   15.928  225.280   14.059 -28.21436 21.24549 
1 1 1    6   24   12 o   74.070   13.765  101.003   35.327  113.975   59.503   93.942   43.902   77.533   21.134   70.607   17.642 6.925743 27.53015 
1 1 1    6   24   14 o  149.488   13.152  414.060   65.104  389.178  111.807  426.825   80.081  145.149   21.794  153.828   14.729 -8.678848 26.30428 
1 1 1    6   24   16 o   93.467   12.264  174.536   36.716  126.587   61.774  200.728   45.655   81.203   21.270  105.732   12.217 -24.52862 24.52893 
1 1 1    6   24   18 o   52.452   10.972   52.070   22.012   37.396   35.644   61.115   27.986   47.896   16.903   57.008   13.993 -9.112259 21.94396 
1 1 1    6   24   20 o  116.426   13.593  270.410   49.845  216.673   85.001  298.572   61.535  104.642   23.551  128.209   13.579 -23.56664 27.18556 
1 1 1    6   24   22 o  221.453   14.294  918.289  106.196  983.462  183.194  885.303  130.328  224.895   23.047  218.010   16.914 6.884583 28.58725 
1 1 1    6   24   24 o   76.527   15.280  118.484   43.141  117.453   61.255  119.499   60.770   76.190   21.700   76.863   21.518 -0.6725769 30.55962 
1 1 1    6   25    1 o  299.095   12.639  1522.14  127.866  1303.84  155.718  1974.01  224.039  268.775   16.392  329.415   19.242 -60.64050 25.27777 
1 1 1    6   25    3 o  161.278   18.069  498.141   98.113  605.163  137.281  386.408  140.271  181.695   21.377  140.861   29.136 40.83488 36.13710 
1 1 1    6   25    5 o  143.579   14.102  392.974   63.150  194.992   85.951  625.217   93.091  100.630   24.415  186.527   14.120 -85.89716 28.20388 
1 1 1    6   25    7 o   86.611   13.117  144.081   38.087  121.689   63.844  156.453   47.456   79.984   21.929   93.237   14.401 -13.25363 26.23465 
1 1 1    6   25    9 o  156.762   11.094  445.310   61.307  478.071   86.258  411.866   87.153  162.755   14.995  150.769   16.355 11.98640 22.18853 
1 1 1    6   25   11 o  284.020   14.504  1487.55  137.123  1484.79  236.772  1488.94  168.202  281.806   23.772  286.234   16.626 -4.427734 29.00891 
1 1 1    6   25   13 o  232.942   13.603  1008.25  105.012  971.515  181.135  1026.85  128.881  227.996   22.478  237.888   15.328 -9.891785 27.20681 
1 1 1    6   25   15 o   65.849   11.878   83.119   27.271   76.734   44.429   86.980   34.545   63.750   18.580   67.947   14.803 -4.196907 23.75580 
1 1 1    6   25   17 o  138.625   14.211  369.503   63.306  348.225  108.543  380.472   77.933  133.087   23.956  144.164   15.295 -11.07716 28.42247 
1 1 1    6   25   19 o  210.087   14.084  855.370   97.062  782.133  167.205  892.592  119.202  200.205   23.629  219.968   15.332 -19.76321 28.16784 
1 1 1    6   25   21 o  151.494   13.762  453.308   67.991  399.374  116.735  480.997   83.642  141.892   23.277  161.096   14.690 -19.20398 27.52466 
1 1 1    6   26    0 o  101.860   15.198  212.364   49.971  240.521   60.160  149.708   89.741  115.447   14.744   88.273   26.581 27.17431 30.39574 
1 1 1    6   26    2 o   76.429   10.995  109.422   28.658  111.537   39.583  107.092   41.544   77.333   15.023   75.525   16.058 1.808708 21.98970 
1 1 1    6   26    4 o   43.416   9.7451   32.375   16.826   25.161   22.333   41.843   25.587   39.040   13.405   47.792   14.149 -8.752586 19.49030 
1 1 1    6   26    6 o  146.075   14.682  412.183   67.080  434.918   81.470  364.325  118.202  155.030   14.868  137.119   25.322 17.91080 29.36475 
1 1 1    6   26    8 o  170.355   15.892  543.182   95.634  551.904  133.853  534.086  136.685  171.939   22.026  168.771   22.914 3.168396 31.78355 
1 1 1    6   26   10 o  145.004   15.036  392.632   76.775  349.997  106.808  438.211  110.435  136.536   22.133  153.472   20.359 -16.93512 30.07232 
1 1 1    6   26   12 o  178.367   13.739  600.512   81.021  567.580  139.372  617.323   99.575  172.896   22.807  183.839   15.325 -10.94232 27.47740 
1 1 1    6   26   14 o  159.907   13.830  492.597   72.523  443.046  124.562  518.008   89.201  151.711   23.230  168.103   15.013 -16.39209 27.65906 
1 1 1    6   26   16 o  173.230   13.731  578.378   78.361  539.678  134.811  598.126   96.301  166.456   22.914  180.003   15.137 -13.54712 27.46228 
1 1 1    6   26   18 o   68.180   12.451   96.291   30.586   63.407   51.180  114.561   38.148   58.767   20.286   77.594   14.441 -18.82674 24.90126 
1 1 1    6   26   20 o   19.352   5.6942   0.0693   6.5111   5.9251   10.203  -3.9539   8.4570   22.727   8.8405   15.978   7.1791 6.748899 11.38838 
1 1 1    6   27    1 o  150.384   13.501  400.641   69.148  486.158  118.263  356.219   85.236  161.455   20.724  139.313   17.311 22.14270 27.00272 
1 1 1    6   27    3 o   41.473   9.7358   29.792   16.826   35.144   22.570   23.096   25.246   43.920   13.354   39.026   14.171 4.894020 19.47162 
1 1 1    6   27    5 o  178.743   10.740  583.026   67.722  537.593   94.944  630.082   96.625  171.474   15.666  186.012   14.697 -14.53830 21.48047 
1 1 1    6   27    7 o  136.268   10.475  340.394   49.893  280.900   69.843  402.395   71.299  123.701   15.974  148.836   13.554 -25.13406 20.94952 
1 1 1    6   27    9 o   81.901   12.052  128.889   33.732  139.929   46.945  117.105   48.502   85.917   16.050   77.886   17.983 8.030449 24.10326 
1 1 1    6   27   11 o  141.392   13.049  364.710   61.545  342.931   74.654  410.912  108.735  136.255   15.502  146.529   20.996 -10.27356 26.09825 
1 1 1    6   27   13 o  164.280   16.798  535.809   97.057  581.994  136.020  487.901  138.534  172.562   22.302  155.998   25.126 16.56332 33.59549 
1 1 1    6   27   15 o  107.632   17.023  240.496   63.117  247.036   87.649  233.452   90.965  109.662   23.331  105.601   24.795 4.060303 34.04613 
1 1 1    6   28    0 o   40.777   10.165   26.896   18.615   35.130   24.927   16.515   27.990   44.145   14.128   37.409   14.617 6.735321 20.32920 
1 1 1    6   28    2 o   69.247   10.930   91.540   26.043   89.139   35.809   94.235   37.944   68.328   15.218   70.165   15.693 -1.837006 21.86023 
1 1 1    6   28    4 f   82.550   11.839  131.079   33.340  135.741   46.435  126.118   47.899   84.297   16.173   80.803   17.294 3.494339 23.67834 
1 1 1    6   28    6 o   86.940   10.824  141.728   32.556  133.076   45.240  151.021   46.886   83.420   15.925   90.461   14.664 -7.041885 21.64800 
1 1 1    6   28    8 o  122.747   10.630  279.543   46.096  267.836   64.559  291.718   65.839  120.056   15.214  125.439   14.850 -5.383560 21.26040 
1 1 1    6   28   10 o   95.393   14.118  187.609   44.650  151.859   75.470  206.861   55.383   85.388   24.006  105.399   14.867 -20.01123 28.23660 
1 1 1    6   28   12 o   87.478   16.474  148.803   49.065   0.0000   0.0000  148.803   49.065  ?   ?    87.478   16.474      ?      ? 
1 1 1    6   29    1 o   92.490   11.628  164.346   36.983  179.011   51.506  148.738   53.137   97.969   14.875   87.010   17.876 10.95840 23.25561 
1 1 1    6   29    3 f   80.526   11.268  125.338   30.918  112.710   42.785  139.142   44.731   75.997   16.409   85.056   15.448 -9.058929 22.53661 
1 1 1    6   29    5 o  137.181   14.262  376.456   62.637  355.768  107.476  387.098   77.082  130.751   24.146  143.611   15.186 -12.86053 28.52453 
1 1 1    7    0    1 o   34.166   11.258   30.176   21.388   30.176   21.388   30.176   21.388   34.166   15.921   34.166   15.921 -0.000000 0.000000 
1 1 1    7    0    3 o  1068.68   21.608 20339.50  1152.11 20339.50  1152.11 20339.50  1152.11  1068.68   30.558  1068.68   30.558 -0.000000 0.000000 
1 1 1    7    0    5 o  1138.06   22.617 23074.24  1284.26 23074.24  1284.26 23074.24  1284.26  1138.06   31.985  1138.06   31.985 -0.000000 0.000000 
1 1 1    7    0    7 o  443.675   18.539  3526.04  407.850  3526.04  407.850  3526.04  407.850  443.675   26.218  443.675   26.218 -0.000000 0.000000 
1 1 1    7    0    9 f  138.365   10.926  351.074   73.150  351.074   73.150  351.074   73.150  138.365   15.451  138.365   15.451 -0.000000 0.000000 
1 1 1    7    0   11 o  922.757   27.506 15194.87  1263.57 15194.87  1263.57 15194.87  1263.57  922.757   38.900  922.757   38.900 -0.000000 0.000000 
1 1 1    7    0   13 o  1186.14   33.348 25134.87  1970.03 25134.87  1970.03 25134.87  1970.03  1186.14   47.161  1186.14   47.161 -0.000000 0.000000 
1 1 1    7    0   15 o  254.436   10.850  1157.26  136.837  1157.26  136.837  1157.26  136.837  254.436   15.344  254.436   15.344 -0.000000 0.000000 
1 1 1    7    0   17 o  355.931   17.392  2275.16  306.026  2275.16  306.026  2275.16  306.026  355.931   24.596  355.931   24.596 -0.000000 0.000000 
1 1 1    7    0   19 o   45.095   12.325   49.080   26.377   49.080   26.377   49.080   26.377   45.095   17.430   45.095   17.430 -0.000000 0.000000 
1 1 1    7    0   21 o   55.569   13.999   72.065   35.456   72.065   35.456   72.065   35.456   55.569   19.797   55.569   19.797 -0.000000 0.000000 
1 1 1    7    0   23 f  307.630   11.859  1690.61  181.109  1690.61  181.109  1690.61  181.109  307.630   16.771  307.630   16.771 -0.000000 0.000000 
1 1 1    7    0   25 o  714.384   16.611  9103.61  591.712  9103.61  591.712  9103.61  591.712  714.384   23.492  714.384   23.492 -0.000000 0.000000 
1 1 1    7    0   27 o  180.676   16.528  609.787  142.381  609.787  142.381  609.787  142.381  180.676   23.374  180.676   23.374 -0.000000 0.000000 
1 1 1    7    0   29 o  414.879   18.290  3116.57  375.912  3116.57  375.912  3116.57  375.912  414.879   25.866  414.879   25.866 -0.000000 0.000000 
1 1 1    7    0   31 o  443.949   18.787  3576.48  413.475  3576.48  413.475  3576.48  413.475  443.949   26.569  443.949   26.569 -0.000000 0.000000 
1 1 1    7    0   33 f   70.862   20.104  124.766   69.216  124.766   69.216  124.766   69.216   70.862   28.432   70.862   28.432 -0.000000 0.000000 
1 1 1    7    0   35 o  314.010   17.246  1803.70  266.928  1803.70  266.928  1803.70  266.928  314.010   24.389  314.010   24.389 -0.000000 0.000000 
1 1 1    7    0   37 o  127.603   19.454  330.643  108.863  330.643  108.863  330.643  108.863  127.603   27.512  127.603   27.512 -0.000000 0.000000 
1 1 1    7    1    0 o  1256.83   24.553 28253.71  1090.65 28487.46  1542.42 28019.95  1542.41  1262.09   34.577  1251.57   34.868 10.52417 49.10562 
1 1 1    7    1    2 o  139.500   10.641  344.909   52.432  359.105   74.155  330.717   74.146  142.378   14.736  136.621   15.355 5.757446 21.28199 
1 1 1    7    1    4 o  257.901   11.101  1179.09  101.151  1217.29  143.055  1140.90  143.042  262.091   15.443  253.711   15.952 8.380081 22.20222 
1 1 1    7    1    6 o  254.643   13.377  1131.08  114.380  1210.50  198.081  1091.36  140.098  261.104   21.464  248.183   15.971 12.92165 26.75410 
1 1 1    7    1    8 o  911.139   22.766 14538.72  696.582 15610.77  1206.49 14002.66  853.144  934.805   36.516  887.474   27.199 47.33130 45.53215 
1 1 1    7    1   10 o  732.030   16.460  9503.36  425.836  9651.11  602.214  9355.60  602.232  737.741   23.095  726.320   23.459 11.42163 32.92022 
1 1 1    7    1   12 o  852.695   25.830 12898.25  778.462 12898.25  778.462   0.0000   0.0000  852.695   25.830  ?   ?       ?      ? 
1 1 1    7    1   14 o  844.555   36.346 12698.89  1084.94 12698.89  1084.94   0.0000   0.0000  844.555   36.346  ?   ?       ?      ? 
1 1 1    7    1   16 o  1034.29   20.996 19007.82  767.517 19110.89  1085.43 18904.75  1085.43  1037.11   29.611  1031.47   29.773 5.639038 41.99142 
1 1 1    7    1   18 o  781.073   17.228 10829.07  475.519 11071.99  672.492 10586.17  672.480  789.872   24.089  772.274   24.637 17.59808 34.45634 
1 1 1    7    1   20 o   84.392   13.536  132.449   38.001  124.508   64.744  136.622   46.937   82.320   21.878   86.464   15.946 -4.144516 27.07277 
1 1 1    7    1   22 o  245.518   13.581  1063.32  111.548  1090.60  192.797  1049.59  136.763  247.700   22.022  243.335   15.902 4.364914 27.16294 
1 1 1    7    1   24 o  533.088   19.906  5095.62  374.840  4900.53  530.134  5290.67  530.075  522.734   28.694  543.441   27.597 -20.70703 39.81109 
1 1 1    7    1   26 o  314.334   16.681  1772.88  185.314  1752.49  262.269  1793.20  261.879  312.498   23.745  316.170   23.435 -3.671692 33.36208 
1 1 1    7    1   28 o  143.753   15.059  371.073   76.507  377.927  108.673  364.337  107.728  145.080   21.193  142.426   21.400 2.654449 30.11835 
1 1 1    7    1   30 o  268.317   15.067  1304.40  141.367  1528.99  200.875  1084.01  198.983  291.753   19.480  244.880   22.990 46.87308 30.13337 
1 1 1    7    1   32 o  178.372   15.349  575.374   96.762  581.463  136.841  569.285  136.844  179.338   21.589  177.406   21.824 1.931732 30.69796 
1 1 1    7    1   34 o   92.370   13.639  156.068   41.558  148.329   51.522  170.480   70.309   89.510   16.905   95.231   21.409 -5.721069 27.27884 
1 1 1    7    1   36 o   87.257   13.236  142.935   38.799  150.099   48.384  130.030   64.939   91.502   14.961   83.012   21.839 8.490425 26.47197 
1 1 1    7    1   38 f  121.822   13.863  270.495   55.527  262.512   68.610  285.650   94.534  120.664   16.087  122.980   22.581 -2.316437 27.72546 
1 1 1    7    1   40 o   36.916   9.5032   20.104   16.254   25.769   21.333   12.263   25.098   39.026   13.104   34.806   13.767 4.219620 19.00641 
1 1 1    7    2    1 o  606.720   14.579  6536.09  312.619  6599.26  442.112  6472.92  442.107  609.666   20.517  603.775   20.717 5.891296 29.15758 
1 1 1    7    2    3 o  631.177   14.875  7076.37  331.842  7075.56  469.290  7077.18  469.302  631.140   21.038  631.213   21.036 -0.7257080E-01 29.75026 
1 1 1    7    2    5 o  305.911   11.596  1659.92  125.221  1565.31  177.075  1754.56  177.103  297.159   16.860  314.663   15.924 -17.50317 23.19118 
1 1 1    7    2    7 o  1023.62   20.902 18667.32  755.760 17927.32  1068.78 19407.38  1068.83  1003.17   30.144  1044.08   28.964 -40.90857 41.80364 
1 1 1    7    2    9 o  731.066   16.554  9480.63  427.719  9374.51  604.874  9586.75  604.899  726.959   23.542  735.173   23.279 -8.214050 33.10799 
1 1 1    7    2   11 o  736.403   16.534  9618.97  429.998  9183.69  608.075 10054.34  608.143  719.678   23.906  753.128   22.846 -33.45062 33.06707 
1 1 1    7    2   13 o  390.147   17.261  2704.01  237.323  2464.32  335.468  2944.16  335.783  372.749   25.463  407.545   23.311 -34.79617 34.52221 
1 1 1    7    2   15 o  781.273   20.741 10727.46  542.620 11195.79  939.741 10493.22  664.608  793.330   33.515  769.216   24.445 24.11432 41.48260 
1 1 1    7    2   17 o  1027.52   29.558 18900.31  1071.62 17632.71  1515.41 20168.21  1515.58  992.610   43.195  1062.43   40.361 -69.81458 59.11670 
1 1 1    7    2   19 o  540.253   28.102  5191.02  536.609  5191.02  536.609   0.0000   0.0000  540.253   28.102  ?   ?       ?      ? 
1 1 1    7    2   21 o  320.202   23.503  1822.22  265.992  1822.22  265.992   0.0000   0.0000  320.202   23.503  ?   ?       ?      ? 
1 1 1    7    2   23 f  782.258   21.022 10899.10  549.015 10780.40  672.345 11136.62  951.085  777.554   24.465  786.963   34.194 -9.409424 42.04434 
1 1 1    7    2   25 o  316.522   14.765  1810.42  154.550  1853.12  189.198  1724.77  267.934  322.789   16.584  310.254   24.434 12.53418 29.53002 
1 1 1    7    2   27 o  196.258   13.474  689.958   87.955  692.502  107.698  684.863  152.413  197.193   15.452  195.323   22.077 1.870102 26.94792 
1 1 1    7    2   29 o  110.357   10.883  217.500   42.399  227.161   59.582  207.590   60.347  112.872   14.935  107.842   15.833 5.030678 21.76514 
1 1 1    7    2   31 o  312.765   11.408  1750.02  126.062  1689.95  177.759  1810.81  178.804  307.309   16.366  318.220   15.897 -10.91095 22.81596 
1 1 1    7    2   33 o   68.870   11.043   88.727   26.214   94.795   35.552   81.498   38.806   71.582   14.548   66.158   16.618 5.423958 22.08629 
1 1 1    7    2   35 o  180.474   9.8669  583.567   62.803  612.092   87.551  553.331   90.138  185.111   13.382  175.837   14.504 9.273514 19.73383 
1 1 1    7    2   37 o  114.885   14.392  233.847   54.991  209.282   67.814  281.020   93.973  107.617   17.829  122.154   22.598 -14.53761 28.78440 
1 1 1    7    2   39 o  241.432   15.948  1091.94  125.180  1117.72  151.426  1036.27  222.474  248.186   17.262  234.679   26.822 13.50768 31.89660 
1 1 1    7    2   41 o  123.801   17.161  294.030   71.408  273.413   92.393  324.613  112.532  118.991   22.799  128.611   25.655 -9.620247 34.32156 
1 1 1    7    3    0 o  401.977   12.640  2866.02  179.579  2886.39  253.965  2845.65  253.961  403.410   17.812  400.543   17.939 2.867065 25.27971 
1 1 1    7    3    2 o  858.878   18.544 13145.51  562.583 12611.06  795.605 13679.99  795.621  841.271   26.757  876.484   25.683 -35.21222 37.08846 
1 1 1    7    3    4 o  514.040   13.512  4688.13  245.484  4694.56  347.175  4681.71  347.159  514.394   19.096  513.687   19.121 0.7073364 27.02317 
1 1 1    7    3    6 o  543.320   17.359  5297.13  312.590  5094.52  541.329  5398.48  382.876  534.911   28.633  551.728   19.634 -16.81677 34.71774 
1 1 1    7    3    8 o  442.920   15.568  3404.28  231.999  3718.59  401.771  3247.05  284.161  457.724   24.834  428.116   18.779 29.60837 31.13548 
1 1 1    7    3   10 o  1064.19   26.033 19882.68  929.231 21102.48  1609.38 19272.67  1138.10  1087.06   41.888  1041.32   30.923 45.73230 52.06514 
1 1 1    7    3   14 o  708.337   23.011  8922.73  575.892  9198.16  814.381  8647.22  814.487  719.341   32.031  697.333   33.046 22.00696 46.02235 
1 1 1    7    3   16 o  926.828   38.866 15328.71  1273.19   0.0000   0.0000 15328.71  1273.19  ?   ?   926.828   38.866      ?      ? 
1 1 1    7    3   18 o  254.536   15.442  1147.06  138.919  1147.06  138.919   0.0000   0.0000  254.536   15.442  ?   ?       ?      ? 
1 1 1    7    3   20 o  206.988   13.440  785.782   90.786  833.660  111.037  689.229  157.683  216.976   14.479  197.000   22.646 19.97565 26.87928 
1 1 1    7    3   22 o  561.135   17.994  5683.54  333.847  5824.48  408.708  5400.96  578.716  572.586   20.195  549.683   29.787 22.90369 35.98815 
1 1 1    7    3   24 o  149.628   11.247  399.231   59.205  438.000   83.067  359.202   84.406  157.083   14.962  142.172   16.797 14.91183 22.49450 
1 1 1    7    3   26 o  100.356   13.113  173.744   42.506  151.540   51.277  222.518   75.998   90.851   16.580  109.861   20.321 -19.00951 26.22626 
1 1 1    7    3   28 o  106.794   13.293  200.807   46.696  186.223   57.119  230.197   81.086  102.182   15.816  111.406   21.370 -9.224243 26.58621 
1 1 1    7    3   30 o  207.094   11.151  766.306   81.598  744.421  115.014  788.486  115.784  204.092   15.944  210.096   15.592 -6.004868 22.30115 
1 1 1    7    3   32 o  247.439   14.060  1087.43  116.709  1053.64  143.026  1154.77  201.898  242.483   16.688  252.395   22.632 -9.912537 28.11994 
1 1 1    7    3   34 o  181.592   10.218  587.238   65.302  515.745   89.635  668.106   95.330  169.787   14.937  193.397   13.946 -23.61000 20.43539 
1 1 1    7    3   36 o  208.003   13.885  773.886   96.857  752.382  118.779  816.562  167.331  204.520   16.432  211.485   22.386 -6.964600 27.76927 
1 1 1    7    3   38 o  300.581   11.412  1631.03  120.290  1376.67  167.070  1904.83  173.336  275.839   17.136  325.323   15.075 -49.48444 22.82347 
1 1 1    7    3   40 o  126.041   18.262  295.888   74.975  267.022   91.288  355.713  131.420  118.021   22.709  134.061   28.607 -16.03944 36.52477 
1 1 1    7    3   42 o  100.408   19.425  199.418   65.807  193.178   77.226  215.962  125.750   99.024   22.568  101.793   31.623 -2.769028 38.84967 
1 1 1    7    4    1 o  662.869   22.112  7807.85  518.061   0.0000   0.0000  7807.85  518.061  ?   ?   662.869   22.112      ?      ? 
1 1 1    7    4    3 o  447.961   16.126  3590.28  239.792  3492.21  415.252  3639.34  293.712  442.914   26.526  453.009   18.344 -10.09482 32.25108 
1 1 1    7    4    5 o  482.608   18.933  4145.96  322.547  4383.80  456.153  3908.12  456.148  496.552   25.991  468.665   27.537 27.88651 37.86621 
1 1 1    7    4    7 o  373.122   17.221  2472.03  226.916  2353.77  320.880  2590.33  320.935  364.153   24.931  382.091   23.765 -17.93820 34.44277 
1 1 1    7    4    9 o  616.821   21.093  6766.32  459.187  6350.49  649.334  7182.28  649.442  597.744   30.735  635.897   28.896 -38.15271 42.18533 
1 1 1    7    4   11 o  1032.04   29.991 19017.23  1093.65 18493.48  1546.85 19540.71  1546.46  1017.69   43.005  1046.40   41.814 -28.71210 59.98172 
1 1 1    7    4   13 o  1372.03   31.427 33139.78  1446.31 32099.06  1771.39 35221.05  2505.00  1342.44   37.334  1401.63   50.566 -59.19519 62.85435 
1 1 1    7    4   15 o  675.417   19.792  8255.07  440.795  8551.90  539.901  7661.67  763.368  694.599   21.992  656.234   32.912 38.36462 39.58333 
1 1 1    7    4   17 o  345.362   14.797  2111.49  170.427  2123.80  295.053  2105.32  208.777  345.937   24.131  344.788   17.132 1.148560 29.59455 
1 1 1    7    4   19 o  304.039   16.636  1643.05  178.577  1727.85  252.194  1557.77  252.900  311.955   22.873  296.123   24.163 15.83206 33.27223 
1 1 1    7    4   21 o  274.786   14.495  1378.18  130.559  1448.19  159.787  1237.54  226.463  285.849   15.816  263.724   24.296 22.12488 28.98981 
1 1 1    7    4   23 o   85.535   11.614  133.616   34.194  148.407   47.052  117.060   49.780   91.474   14.553   79.596   18.103 11.87787 23.22774 
1 1 1    7    4   25 o   94.795   12.781  155.247   41.352   87.769   53.390  256.422   65.376   69.505   20.399  120.086   15.403 -50.58102 25.56117 
1 1 1    7    4   27 o  186.237   14.398  641.435   87.494  677.987  106.958  567.501  152.118  195.062   15.514  177.412   24.259 17.65079 28.79564 
1 1 1    7    4   29 o  132.861   11.330  315.919   53.088  328.033   73.675  302.837   76.564  135.571   15.376  130.151   16.644 5.420349 22.65909 
1 1 1    7    4   31 o  127.231   10.471  288.283   46.978  262.304   64.733  317.189   68.282  121.164   15.116  133.298   14.493 -12.13347 20.94132 
1 1 1    7    4   33 o  196.676   13.723  687.524   90.550  666.866  111.005  728.609  156.544  192.896   16.282  200.456   22.095 -7.559067 27.44611 
1 1 1    7    4   35 o   98.105   13.255  184.162   43.412  147.157   68.667  208.800   56.030   88.235   22.074  107.976   14.682 -19.74084 26.51028 
1 1 1    7    4   37 o  187.565   15.292  643.459  101.294  673.229  143.388  613.803  143.114  192.041   21.125  183.090   22.116 8.951721 30.58380 
1 1 1    7    4   39 o   62.589   11.366   73.876   25.283   68.221   37.306   78.679   34.383   60.426   16.839   64.752   15.271 -4.325745 22.73258 
1 1 1    7    4   41 o   77.926   17.520   78.614   40.603   61.068   43.608  192.943  111.314   57.979   18.701   97.872   29.633 -39.89277 35.04065 
1 1 1    7    5    2 o  564.352   28.704  5672.71  572.544   0.0000   0.0000  5672.71  572.544  ?   ?   564.352   28.704      ?      ? 
1 1 1    7    5    4 o  377.858   24.501  2535.70  327.214   0.0000   0.0000  2535.70  327.214  ?   ?   377.858   24.501      ?      ? 
1 1 1    7    5    6 o  769.602   34.196 10551.65  930.180   0.0000   0.0000 10551.65  930.180  ?   ?   769.602   34.196      ?      ? 
1 1 1    7    5    8 o  395.493   17.915  2777.93  250.036  2600.95  353.814  2954.48  353.394  382.847   26.147  408.140   24.498 -25.29245 35.83071 
1 1 1    7    5   10 o  1531.95   33.781 41018.77  1742.03 45235.21  3017.60 38911.23  2133.43  1586.99   53.798  1476.91   40.870 110.0774 67.56181 
1 1 1    7    5   12 o  1898.97   50.588 65727.57  3381.41 72401.83  4782.16 59053.98  4781.92  1998.40   67.705  1799.53   75.184 198.8694 101.1758 
1 1 1    7    5   14 o  653.689   18.350  7487.38  402.019  7879.83  696.395  7291.21  492.344  665.975   29.585  641.404   21.718 24.57117 36.70096 
1 1 1    7    5   16 o  516.652   19.465  4742.32  355.439  4768.00  502.588  4716.63  502.746  518.059   27.448  515.245   27.607 2.813721 38.92981 
1 1 1    7    5   18 o  311.134   13.206  1693.76  137.204  1650.45  167.410  1782.36  239.456  305.295   15.515  316.973   21.374 -11.67853 26.41112 
1 1 1    7    5   20 o  450.047   13.064  3599.91  207.202  3908.33  292.624  3289.77  293.434  469.493   17.634  430.602   19.280 38.89133 26.12860 
1 1 1    7    5   22 o  168.727   10.397  504.518   61.858  458.869   86.249  552.870   88.765  160.853   15.171  176.600   14.221 -15.74643 20.79396 
1 1 1    7    5   24 o  321.925   12.946  1762.70  141.137  1577.25  172.665  2136.08  244.999  297.809   16.404  346.041   20.032 -48.23209 25.89125 
1 1 1    7    5   26 f  207.334   14.709  770.164  107.122  661.287  148.759  887.429  154.383  191.958   21.926  222.711   19.613 -30.75322 29.41780 
1 1 1    7    5   28 o  130.371   13.298  317.356   56.154  280.740   93.590  337.953   70.193  123.022   22.347  137.720   14.420 -14.69727 26.59594 
1 1 1    7    5   30 o  111.918   13.575  218.501   50.705  137.658   65.275  341.507   80.516   85.694   21.568  138.142   16.491 -52.44846 27.14965 
1 1 1    7    5   32 o  255.436   15.750  1189.62  140.788  1001.39  199.004  1378.23  199.205  234.569   24.003  276.303   20.398 -41.73376 31.49999 
1 1 1    7    5   34 o   37.688   9.6090   20.406   16.611   28.273   23.862   13.009   23.139   41.140   13.858   34.235   13.314 6.905163 19.21793 
1 1 1    7    5   36 o   97.977   13.678  176.805   45.081  197.258   70.989  162.984   58.358  102.525   20.308   93.429   18.327 9.096100 27.35546 
1 1 1    7    5   38 o  154.095   15.085  410.166   79.651  314.851   99.843  577.015  132.099  130.867   21.586  177.323   21.077 -46.45522 30.16944 
1 1 1    7    5   40 o  157.353   21.881  461.633  121.692  461.633  121.692   0.0000   0.0000  157.353   21.881  ?   ?       ?      ? 
1 1 1    7    5   42 o   89.210   18.499  173.321   72.178  246.674   87.238   14.145  128.508  111.633   22.879   66.786   29.077 44.84771 36.99865 
1 1 1    7    6    1 o  645.570   30.808  7422.87  702.950  7422.87  702.950   0.0000   0.0000  645.570   30.808  ?   ?       ?      ? 
1 1 1    7    6    3 o  398.388   24.933  2817.66  351.071  2817.66  351.071   0.0000   0.0000  398.388   24.933  ?   ?       ?      ? 
1 1 1    7    6    5 o  778.513   24.220 10805.08  665.259 11542.58  940.951 10067.99  940.685  805.308   33.059  751.719   35.405 53.58844 48.43977 
1 1 1    7    6    7 o  1120.26   27.925 22281.75  1044.16 22687.28  1808.82 22079.09  1278.73  1126.21   45.442  1114.30   32.468 11.91589 55.84922 
1 1 1    7    6    9 o  976.719   22.928 16520.79  754.580 18390.09  1307.27 15586.78  924.062  1016.34   36.392  937.101   27.899 79.23737 45.85595 
1 1 1    7    6   11 o  1316.90   51.410 31105.39  2392.88 31105.39  2392.88   0.0000   0.0000  1316.90   51.410  ?   ?       ?      ? 
1 1 1    7    6   13 o  663.719   16.833  7477.15  378.498  8977.88  655.775  6727.47  463.493  711.291   26.085  616.148   21.283 95.14307 33.66591 
1 1 1    7    6   15 o  336.280   14.243  2023.32  158.821  1947.70  274.943  2061.19  194.565  331.350   23.477  341.211   16.133 -9.860168 28.48568 
1 1 1    7    6   17 o  619.422   18.976  6800.40  415.451   0.0000   0.0000  6800.40  415.451  ?   ?   619.422   18.976      ?      ? 
1 1 1    7    6   19 o  310.090   16.862  1704.17  184.807   0.0000   0.0000  1704.17  184.807  ?   ?   310.090   16.862      ?      ? 
1 1 1    7    6   21 o  274.143   13.577  1364.39  122.973  1249.86  211.374  1422.98  151.194  264.983   22.569  283.303   15.099 -18.31949 27.15430 
1 1 1    7    6   23 o  395.812   14.775  2798.67  194.951  2782.65  336.576  2806.75  239.152  394.339   24.149  397.285   17.031 -2.946472 29.55050 
1 1 1    7    6   25 o  330.709   14.809  1911.19  165.291  2116.91  284.914  1806.83  202.932  343.236   23.485  318.181   18.045 25.05560 29.61737 
1 1 1    7    6   27 o  186.724   15.585  626.995  102.776  616.211  142.139  638.811  148.784  185.090   21.728  188.358   22.349 -3.268005 31.16969 
1 1 1    7    6   29 o  256.367   13.691  1213.24  115.617  1086.67  198.183  1278.54  142.351  245.115   22.876  267.620   15.050 -22.50491 27.38232 
1 1 1    7    6   31 o  312.659   14.154  1834.36  144.341  1559.81  247.773  1975.40  177.587  292.892   23.935  332.426   15.115 -39.53482 28.30750 
1 1 1    7    6   33 o  214.922   13.760  791.548  101.070  1003.35  171.895  679.636  124.950  235.510   20.651  194.333   18.192 41.17674 27.52061 
1 1 1    7    6   35 o  164.484   12.610  493.827   70.246  466.970  115.559  509.567   88.467  160.378   20.386  168.590   14.847 -8.211624 25.21958 
1 1 1    7    6   37 o  135.238   19.420  358.272   87.662  385.030  110.401  312.615  144.211  144.937   21.551  125.539   32.311 19.39764 38.83908 
1 1 1    7    6   39 o   58.606   18.771   61.939   43.994   61.939   43.994   0.0000   0.0000   58.606   18.771  ?   ?       ?      ? 
1 1 1    7    6   41 o  136.451   17.794  345.793   79.120  295.687   96.402  449.193  138.484  123.047   23.013  149.855   27.146 -26.80832 35.58740 
1 1 1    7    6   43 o   62.905   16.573   70.908   48.669   93.560   53.467 -38.5684  117.541   68.793   20.472   57.018   26.068 11.77510 33.14627 
1 1 1    7    7    0 o  590.733   20.760  6203.95  433.443  6167.48  613.047  6240.41  612.915  588.986   29.449  592.480   29.269 -3.493896 41.51989 
1 1 1    7    7    2 o  408.764   17.745  2966.04  256.226  3079.35  362.426  2852.81  362.290  416.604   24.614  400.925   25.567 15.67914 35.48918 
1 1 1    7    7    4 o  331.210   16.764  1947.25  195.947  2071.81  277.120  1822.71  277.103  341.850   22.936  320.570   24.457 21.27936 33.52874 
1 1 1    7    7    6 o  1085.85   30.892 21101.91  1182.49 22845.23  1672.39 19359.01  1672.19  1131.27   41.826  1040.43   45.473 90.83594 61.78375 
1 1 1    7    7    8 o  1111.59   31.572 22080.47  1240.36 22275.05  1754.11 21885.89  1754.15  1116.54   44.449  1106.63   44.848 9.905518 63.14326 
1 1 1    7    7   10 o  834.512   25.543 12399.57  753.279 12655.08  1065.22 12143.98  1065.38  843.177   35.744  825.847   36.499 17.32922 51.08626 
1 1 1    7    7   12 o  1030.70   24.465 18415.12  849.849 20539.99  1472.10 17352.95  1040.81  1073.15   38.811  988.245   29.798 84.90930 48.93063 
1 1 1    7    7   14 o  1072.06   25.468 20060.16  918.344 21893.35  1590.62 19143.56  1124.74  1106.71   40.664  1037.42   30.675 69.29211 50.93638 
1 1 1    7    7   16 o  344.282   23.904  2104.38  290.876  2104.38  290.876   0.0000   0.0000  344.282   23.904  ?   ?       ?      ? 
1 1 1    7    7   18 o  446.004   15.469  3536.97  229.974  3517.50  397.319  3546.78  282.018  444.724   25.277  447.283   17.839 -2.559235 30.93818 
1 1 1    7    7   20 o  411.819   14.757  3015.52  202.765  3012.87  350.031  3016.86  248.751  411.281   24.079  412.358   17.068 -1.076080 29.51479 
1 1 1    7    7   22 f  437.498   18.198  3427.69  281.373  3371.77  396.434  3484.45  399.426  433.877   25.851  441.119   25.619 -7.242432 36.39538 
1 1 1    7    7   24 o  207.775   13.560  828.572   90.027  620.718  153.902  936.696  111.000  185.944   23.418  229.605   13.678 -43.66090 27.11949 
1 1 1    7    7   26 o   55.646   13.913   41.691   38.658   81.387   49.072 -23.2392   62.761   66.792   19.544   44.500   19.806 22.29179 27.82508 
1 1 1    7    7   28 o  106.460   16.078  209.674   58.242  191.938   76.897  233.539   89.198  101.258   22.106  111.660   23.352 -10.40199 32.15621 
1 1 1    7    7   30 o  130.556   12.755  349.578   50.197  202.090   81.212  440.760   63.856  103.694   22.781  157.418   11.477 -53.72443 25.50905 
1 1 1    7    7   32 o  148.817   11.325  409.670   51.585  370.462  100.185  423.815   60.175  143.279   19.783  154.355   11.030 -11.07562 22.65033 
1 1 1    7    7   34 o  179.093   13.019  598.357   77.421  516.448  129.058  644.405   96.767  168.471   21.674  189.714   14.431 -21.24280 26.03887 
1 1 1    7    7   36 f  166.859   21.757  509.453  128.313  509.453  128.313   0.0000   0.0000  166.859   21.757  ?   ?       ?      ? 
1 1 1    7    7   38 o  146.848   15.306  378.049   75.147  281.202   94.431  545.283  124.090  121.424   22.842  172.271   20.380 -50.84648 30.61195 
1 1 1    7    7   40 o   87.724   15.472   94.152   39.871   59.843   43.520  273.391   99.473   57.525   18.694  117.923   24.660 -60.39789 30.94418 
1 1 1    7    8    1 f  1230.32   34.024 27186.32  1473.52 29976.44  2084.04 24397.11  2083.70  1294.47   45.550  1166.17   50.554 128.3021 68.04787 
1 1 1    7    8    3 o  1070.20   30.565 20488.10  1153.59 22036.98  1631.51 18939.55  1631.33  1111.14   41.543  1029.26   44.844 81.88611 61.12919 
1 1 1    7    8    5 o  486.438   19.005  4203.59  326.164  4494.57  461.268  3912.61  461.262  503.362   25.927  469.514   27.796 33.84879 38.01073 
1 1 1    7    8    7 o  696.999   22.862  8665.31  560.233  9685.81  792.312  7644.92  792.267  738.421   30.358  655.576   34.192 82.84485 45.72433 
1 1 1    7    8    9 o  1214.24   34.345 26476.00  1468.20 29144.08  2076.28 23807.61  2076.40  1276.41   46.023  1152.07   50.993 124.3462 68.69094 
1 1 1    7    8   11 o  231.303   15.727  948.501  128.565  959.869  181.430  937.034  182.208  232.701   22.059  229.905   22.423 2.796219 31.45495 
1 1 1    7    8   13 o  190.446   15.403  643.135  103.674  645.781  145.966  640.442  147.279  190.846   21.640  190.047   21.926 0.7988739 30.80614 
1 1 1    7    8   15 f  653.493   18.802  7492.69  411.910  7897.37  713.245  7290.17  504.557  666.003   30.300  640.984   22.271 25.01935 37.60445 
1 1 1    7    8   17 f  429.007   17.975  3300.49  269.093  3902.41  380.652  2699.18  380.457  468.683   22.979  389.331   27.648 79.35181 35.95065 
1 1 1    7    8   19 o  481.295   15.873  4131.64  254.390  4089.91  439.795  4152.62  311.854  478.917   25.982  483.673   18.242 -4.755829 31.74645 
1 1 1    7    8   21 o  285.090   14.373  1440.57  137.160  1470.90  236.408  1425.17  168.401  286.981   23.307  283.198   16.824 3.782379 28.74504 
1 1 1    7    8   23 o  270.650   13.611  1344.54  121.226  1202.55  208.304  1417.26  149.071  258.989   22.756  282.311   14.940 -23.32156 27.22190 
1 1 1    7    8   25 o  165.367   13.464  467.211   76.007  576.292  129.470  409.846   93.889  179.266   20.434  151.468   17.538 27.79869 26.92796 
1 1 1    7    8   27 o  165.937   15.659  496.680   91.706  496.148  126.319  497.273  133.351  165.934   21.538  165.940   22.737 -0.5203247E-02 31.31867 
1 1 1    7    8   29 o   74.031   13.030  102.156   33.359  100.973   53.739  102.898   42.550   73.679   20.085   74.382   16.605 -0.7031631 26.06041 
1 1 1    7    8   31 o  220.225   13.671  885.111  100.207  839.701  171.134  908.805  123.615  215.111   22.509  225.339   15.521 -10.22705 27.34126 
1 1 1    7    8   33 o  225.814   13.346  960.168   98.897  803.246  166.907  1045.07  122.770  209.971   22.490  241.657   14.374 -31.68613 26.69120 
1 1 1    7    8   35 o  197.271   24.655  717.593  171.904   0.0000   0.0000  717.593  171.904  ?   ?   197.271   24.655      ?      ? 
1 1 1    7    8   37 o  144.243   28.293  405.079  139.092   0.0000   0.0000  405.079  139.092  ?   ?   144.243   28.293      ?      ? 
1 1 1    7    8   43 o   23.673   9.7191   3.6342   13.028   3.6342   13.028   0.0000   0.0000   23.673   9.7191  ?   ?       ?      ? 
1 1 1    7    9    0 f  1775.53   47.659 57153.20  2989.51 59074.23  4227.84 55232.21  4227.77  1806.14   66.229  1744.92   68.551 61.22205 95.31824 
1 1 1    7    9    2 o  600.751   20.949  6433.24  442.266  7223.13  625.534  5643.74  625.382  637.942   27.743  563.560   31.397 74.38239 41.89774 
1 1 1    7    9    4 o  1239.53   34.629 27684.30  1502.54 32038.14  2125.00 23331.19  2124.82  1338.90   44.905  1140.16   52.728 198.7406 69.25771 
1 1 1    7    9    6 o  1237.75   34.693 27465.41  1515.88 29000.80  2143.69 25929.80  2143.85  1272.85   47.650  1202.65   50.436 70.19995 69.38525 
1 1 1    7    9    8 o  1135.39   32.272 23068.03  1294.81 23603.47  1830.94 22532.36  1831.34  1148.74   45.095  1122.05   46.178 26.69409 64.54482 
1 1 1    7    9   10 o  118.348   16.215  256.066   66.050  309.442   92.982  201.697   93.843  132.154   19.907  104.541   25.602 27.61252 32.43021 
1 1 1    7    9   12 o  997.184   29.632 17817.33  1042.73 18957.55  1474.34 16676.19  1474.94  1029.55   40.516  964.817   43.252 64.73425 59.26498 
1 1 1    7    9   14 o  842.747   25.605 12690.58  762.622 12487.81  1078.03 12893.71  1078.99  835.937   36.487  849.556   35.934 -13.61859 51.21082 
1 1 1    7    9   16 o  226.411   14.956  914.125  118.579  766.331  166.584  1065.94  168.831  207.698   22.692  245.124   19.487 -37.42590 29.91133 
1 1 1    7    9   18 f  530.309   27.939  5022.54  523.664   0.0000   0.0000  5022.54  523.664  ?   ?   530.309   27.939      ?      ? 
1 1 1    7    9   20 o  389.336   14.867  2729.78  192.047  2619.03  331.554  2785.70  235.594  382.735   24.510  395.937   16.835 -13.20135 29.73454 
1 1 1    7    9   22 o  154.978   9.8474  413.002   47.985  456.923   94.218  397.621   55.757  160.186   16.641  149.770   10.533 10.41548 19.69477 
1 1 1    7    9   24 o   86.712   11.267  153.805   28.956  102.837   54.998  173.352   34.059   74.546   20.318   98.879   9.7456 -24.33301 22.53442 
1 1 1    7    9   26 o  403.700   14.301  2958.96  175.739  2868.81  350.418  2989.25  203.132  397.797   24.923  409.604   14.031 -11.80655 28.60140 
1 1 1    7    9   28 o  166.574   13.667  487.128   77.338  541.942  131.417  458.086   95.656  173.232   21.464  159.917   16.924 13.31596 27.33310 
1 1 1    7    9   30 o  227.606   22.315  939.356  179.516   0.0000   0.0000  939.356  179.516  ?   ?   227.606   22.315      ?      ? 
1 1 1    7    9   32 o  224.348   14.383  900.366  114.049   0.0000   0.0000  900.366  114.049  ?   ?   224.348   14.383      ?      ? 
1 1 1    7    9   34 o   53.164   16.623   50.566   34.684   0.0000   0.0000   50.566   34.684  ?   ?    53.164   16.623      ?      ? 
1 1 1    7    9   36 o  141.870   21.606  369.858  108.339  369.858  108.339   0.0000   0.0000  141.870   21.606  ?   ?       ?      ? 
1 1 1    7    9   38 o  165.671   21.966  511.073  128.623  511.073  128.623   0.0000   0.0000  165.671   21.966  ?   ?       ?      ? 
1 1 1    7    9   40 o   97.057   19.183  202.635   70.103  240.946   86.363  128.630  120.033  110.563   22.855   83.551   30.814 27.01250 38.36500 
1 1 1    7    9   42 o   67.216   16.901   77.695   42.840   72.470   47.721   99.385   97.238   61.295   19.541   73.137   27.582 -11.84151 33.80235 
1 1 1    7   10    1 f  604.662   20.746  6493.92  443.229  6684.49  627.116  6303.72  626.524  613.570   28.918  595.756   29.754 17.81384 41.49160 
1 1 1    7   10    3 o  1550.61   36.698 42714.54  1904.06 44498.57  3298.06 41822.63  2331.93  1571.00   59.397  1530.23   43.116 40.76868 73.39606 
1 1 1    7   10    5 o  827.075   21.413 11832.91  596.937 13209.69  1034.06 11144.78  731.050  861.625   33.955  792.525   26.098 69.09930 42.82614 
1 1 1    7   10    7 o  750.288   18.849  9748.85  476.346 10788.06  825.088  9229.30  583.391  779.102   29.963  721.473   22.878 57.62933 37.69868 
1 1 1    7   10    9 f  750.400   23.661 10029.03  627.443  9816.65  886.931 10241.80  887.748  742.388   33.802  758.412   33.118 -16.02448 47.32185 
1 1 1    7   10   11 o  884.323   22.740 13774.30  673.527 14421.52  1166.44 13450.57  824.950  898.658   36.724  869.987   26.828 28.67041 45.47966 
1 1 1    7   10   13 o  595.756   21.564  6336.18  452.898  6847.23  639.983  5823.50  641.006  620.069   29.202  571.443   31.737 48.62592 43.12761 
1 1 1    7   10   15 o  245.986   15.643  1075.00  135.938  1033.12  191.441  1117.58  193.060  241.135   22.462  250.838   21.776 -9.703140 31.28505 
1 1 1    7   10   17 o  469.866   18.522  3940.13  307.488  3808.48  434.057  4072.76  435.656  461.918   26.587  477.814   25.797 -15.89658 37.04474 
1 1 1    7   10   19 o  444.003   17.717  3505.82  278.029   0.0000   0.0000  3505.82  278.029  ?   ?   444.003   17.717      ?      ? 
1 1 1    7   10   21 o  341.478   13.090  2060.15  149.726  2143.56  258.857  2018.22  183.545  346.127   21.159  336.828   15.417 9.298950 26.18052 
1 1 1    7   10   23 o  246.121   12.869  1050.52   98.397  1151.29  196.311  1016.70  113.712  253.134   21.942  239.107   13.455 14.02678 25.73896 
1 1 1    7   10   25 o  330.215   16.663  1949.12  194.479   0.0000   0.0000  1949.12  194.479  ?   ?   330.215   16.663      ?      ? 
1 1 1    7   10   27 o  282.847   15.370  1429.57  153.658   0.0000   0.0000  1429.57  153.658  ?   ?   282.847   15.370      ?      ? 
1 1 1    7   10   29 o  282.832   15.173  1430.55  151.678   0.0000   0.0000  1430.55  151.678  ?   ?   282.832   15.173      ?      ? 
1 1 1    7   10   31 o  314.419   14.763  1839.88  152.146  1650.34  262.963  1935.25  186.539  300.344   24.772  328.494   16.067 -28.14966 29.52577 
1 1 1    7   10   33 o   95.211   13.667  168.900   43.806  160.764   71.348  173.823   55.498   92.087   22.184   98.334   15.968 -6.247765 27.33348 
1 1 1    7   10   35 o   44.067   10.460   32.536   19.983   16.140   30.853   44.383   26.226   38.947   15.309   49.187   14.258 -10.24007 20.92000 
1 1 1    7   10   37 o   78.763   17.037  120.012   56.833  170.078   71.837   36.247   92.921   93.977   22.014   63.550   26.008 30.42714 34.07361 
1 1 1    7   10   39 o   97.929   16.981  185.145   56.985  166.616   72.031  216.140   93.163   92.055   22.360  103.802   25.562 -11.74691 33.96203 
1 1 1    7   10   41 o  142.824   15.063  374.548   70.933  252.271   89.696  578.681  115.892  111.319   23.533  174.329   18.809 -63.00948 30.12622 
1 1 1    7   11    0 o  751.984   20.412 10030.98  511.663 10080.64  886.241 10006.15  626.651  752.757   33.310  751.211   23.602 1.545288 40.82412 
1 1 1    7   11    2 o  1232.06   28.875 26868.77  1189.88 27824.23  2060.94 26391.05  1457.29  1246.39   46.783  1217.73   33.859 28.65356 57.75047 
1 1 1    7   11    4 o  154.745   10.488  417.463   54.573  444.039   94.113  404.000   66.984  158.368   16.814  151.121   12.541 7.247482 20.97553 
1 1 1    7   11    6 o  461.629   16.506  3778.72  253.942  3784.03  439.679  3776.06  311.072  461.586   26.950  461.672   19.064 -0.8633423E-01 33.01122 
1 1 1    7   11    8 o  392.899   17.961  2745.74  248.840  2957.45  351.555  2533.17  352.273  408.177   24.368  377.621   26.394 30.55649 35.92281 
1 1 1    7   11   10 o  603.320   18.001  6319.57  365.585  6943.75  633.131  6007.36  447.777  624.731   28.673  581.908   21.771 42.82294 36.00226 
1 1 1    7   11   12 o  738.269   19.531  9526.36  484.468 10268.73  838.921  9154.90  593.422  758.688   31.285  717.850   23.389 40.83795 39.06148 
1 1 1    7   11   14 o  842.137   21.782 12487.15  615.265 13255.29  1065.43 12102.82  753.627  859.925   35.055  824.349   25.866 35.57617 43.56446 
1 1 1    7   11   16 o  436.000   14.537  3259.66  214.411  3796.06  371.055  2990.78  262.710  461.645   22.741  410.354   18.113 51.29123 29.07309 
1 1 1    7   11   18 o  223.431   22.088  891.376  174.428  891.376  174.428   0.0000   0.0000  223.431   22.088  ?   ?       ?      ? 
1 1 1    7   11   20 o  407.619   25.417  2990.64  366.188   0.0000   0.0000  2990.64  366.188  ?   ?   407.619   25.417      ?      ? 
1 1 1    7   11   24 o  374.272   24.751  2538.35  327.418   0.0000   0.0000  2538.35  327.418  ?   ?   374.272   24.751      ?      ? 
1 1 1    7   11   26 o   83.870   13.838  130.303   38.713  133.482   66.407  128.667   47.647   84.406   22.026   83.335   16.757 1.070885 27.67616 
1 1 1    7   11   28 o  338.849   14.079  2160.44  142.471  1897.48  284.035  2248.84  164.687  322.548   24.915  355.151   13.120 -32.60345 28.15802 
1 1 1    7   11   30 o  122.163   13.876  272.516   50.923  276.406   99.943  271.152   59.181  121.098   24.197  123.228   13.588 -2.130043 27.75119 
1 1 1    7   11   32 o  265.870   12.646  1262.47  118.833   0.0000   0.0000  1262.47  118.833  ?   ?   265.870   12.646      ?      ? 
1 1 1    7   11   34 o   87.017   14.862  136.030   45.080  193.686   72.190   99.176   57.716  101.227   20.871   72.807   21.164 28.42063 29.72395 
1 1 1    7   11   36 o  182.190   16.539  620.847  106.063  645.520  145.682  593.018  154.717  186.568   22.093  177.811   24.618 8.756989 33.07790 
1 1 1    7   11   38 o   45.010   16.103   32.254   32.455   32.254   32.455   0.0000   0.0000   45.010   16.103  ?   ?       ?      ? 
1 1 1    7   11   40 o  122.569   23.333  301.931   97.387  301.931   97.387   0.0000   0.0000  122.569   23.333  ?   ?       ?      ? 
1 1 1    7   12    1 o  628.089   18.890  6881.19  398.543  7402.79  690.324  6620.43  488.103  645.187   30.272  610.991   22.603 34.19635 37.77952 
1 1 1    7   12    3 o  393.555   15.718  2709.45  207.448  2863.99  359.250  2632.13  254.093  401.656   25.306  385.454   18.651 16.20190 31.43643 
1 1 1    7   12    5 o  610.141   18.446  6488.91  378.237  7010.59  655.050  6227.98  463.270  627.747   29.524  592.536   22.121 35.21100 36.89138 
1 1 1    7   12    7 o  873.936   26.427 13650.79  816.300 13673.39  1153.94 13628.16  1154.91  874.672   37.327  873.200   37.421 1.472534 52.85440 
1 1 1    7   12    9 o  722.109   19.502  9201.04  471.146  9527.79  815.827  9037.53  577.112  730.849   31.583  713.369   22.889 17.47906 39.00481 
1 1 1    7   12   11 o  194.341   12.876  662.817   83.950  691.718  144.843  648.198  103.018  197.397   20.760  191.285   15.237 6.112152 25.75216 
1 1 1    7   12   13 o   73.181   13.083  105.135   34.173   63.621   57.416  127.908   42.526   62.654   21.494   83.709   14.921 -21.05513 26.16538 
1 1 1    7   12   15 o  112.779   15.672  225.712   62.471   0.0000   0.0000  225.712   62.471  ?   ?   112.779   15.672      ?      ? 
1 1 1    7   12   17 o  656.354   31.432  7787.06  729.175   0.0000   0.0000  7787.06  729.175  ?   ?   656.354   31.432      ?      ? 
1 1 1    7   12   19 o  363.129   24.420  2371.99  313.426   0.0000   0.0000  2371.99  313.426  ?   ?   363.129   24.420      ?      ? 
1 1 1    7   12   21 o   79.339   20.995  117.015   59.790  117.015   59.790   0.0000   0.0000   79.339   20.995  ?   ?       ?      ? 
1 1 1    7   12   23 f  228.335   16.836  947.898  134.956  1063.65  189.911  829.808  191.816  242.850   22.125  213.820   25.381 29.02937 33.67122 
1 1 1    7   12   25 o  151.631   13.976  415.577   73.651  324.005  102.271  514.237  106.155  133.934   21.604  169.328   17.737 -35.39464 27.95297 
1 1 1    7   12   27 o  101.817   13.514  192.790   45.040  181.487   76.466  198.795   55.734   98.181   22.515  105.454   14.953 -7.272781 27.02846 
1 1 1    7   12   29 f  185.347   14.367  627.752   88.254  601.557  152.349  640.982  108.271  181.639   23.731  189.055   16.203 -7.416306 28.73483 
1 1 1    7   12   31 o  237.510   13.719  1029.45   99.465  1005.45  197.587  1037.60  115.114  234.161   23.874  240.859   13.522 -6.698730 27.43742 
1 1 1    7   12   33 o  186.156   12.670  588.324   74.653  719.008  147.723  543.502   86.513  198.286   21.078  174.027   14.065 24.25937 25.34025 
1 1 1    7   12   35 o   91.959   13.033  166.414   40.139  121.286   63.964  195.729   51.553   79.680   21.992  104.238   13.993 -24.55851 26.06662 
1 1 1    7   12   37 o   88.642   16.344  149.415   50.622  132.230   64.155  177.768   82.405   82.448   21.715   94.835   24.433 -12.38708 32.68820 
1 1 1    7   12   39 o   55.961   13.621   35.282   25.899   22.719   28.224  102.255   65.164   39.724   14.884   72.198   22.816 -32.47367 27.24111 
1 1 1    7   13    0 o  543.594   18.485  5272.89  334.018  5182.97  578.446  5317.87  409.118  539.596   30.330  547.592   21.138 -7.995728 36.96955 
1 1 1    7   13    2 o  520.265   15.937  4719.15  278.542  5070.45  482.277  4543.30  341.204  534.236   25.541  506.293   19.067 27.94308 31.87359 
1 1 1    7   13    4 o  957.266   24.141 16231.92  772.620 16741.67  1338.05 15976.95  946.320  966.956   39.151  947.576   28.256 19.38037 48.28248 
1 1 1    7   13    6 o  466.830   16.104  3843.05  251.392  3954.54  435.194  3787.22  307.973  471.514   26.114  462.146   18.854 9.367401 32.20890 
1 1 1    7   13    8 o  964.894   28.246 16588.09  963.274   0.0000   0.0000 16588.09  963.274  ?   ?   964.894   28.246      ?      ? 
1 1 1    7   13   10 o  382.825   18.221  2600.48  246.540   0.0000   0.0000  2600.48  246.540  ?   ?   382.825   18.221      ?      ? 
1 1 1    7   13   12 o  223.630   22.066  890.279  174.411   0.0000   0.0000  890.279  174.411  ?   ?   223.630   22.066      ?      ? 
1 1 1    7   13   14 o  170.031   21.488  515.539  129.132   0.0000   0.0000  515.539  129.132  ?   ?   170.031   21.488      ?      ? 
1 1 1    7   13   16 o  273.081   16.144  1335.81  155.751  1290.98  220.260  1380.65  220.269  268.436   23.215  277.726   22.440 -9.289490 32.28759 
1 1 1    7   13   18 o  399.033   16.053  2865.00  213.166  2844.58  368.876  2875.23  261.193  396.865   26.298  401.201   18.420 -4.336609 32.10687 
1 1 1    7   13   20 o  195.203   16.124  679.894  111.244   0.0000   0.0000  679.894  111.244  ?   ?   195.203   16.124      ?      ? 
1 1 1    7   13   22 o  168.618   13.116  508.134   73.929  515.258  127.478  504.524   90.748  169.110   21.328  168.126   15.271 0.9846497 26.23150 
1 1 1    7   13   24 f  156.697   12.798  448.733   60.955  424.623  121.053  456.922   70.553  153.190   22.358  160.203   12.460 -7.013092 25.59523 
1 1 1    7   13   26 o  174.549   13.649  526.161   80.985  631.914  139.094  471.926   99.610  186.953   21.050  162.145   17.381 24.80801 27.29856 
1 1 1    7   13   28 o  177.999   17.986  595.439  107.934  720.382  151.504  466.670  153.806  199.305   21.507  156.692   28.834 42.61345 35.97205 
1 1 1    7   13   30 o  257.538   13.969  1242.23  108.153  1123.44  215.085  1282.43  125.123  247.234   24.614  267.843   13.217 -20.60936 27.93816 
1 1 1    7   13   32 o  228.657   13.319  960.367   92.847  926.891  184.106  971.784  107.521  224.357   23.217  232.956   13.059 -8.599640 26.63770 
1 1 1    7   13   34 o  206.970   12.614  748.951   81.854  850.690  161.846  713.984   94.884  214.694   21.329  199.246   13.474 15.44769 25.22783 
1 1 1    7   13   36 o  269.252   16.835  1375.11  160.154  1358.72  222.937  1392.59  230.221  267.791   23.554  270.713   24.061 -2.921295 33.67098 
1 1 1    7   13   38 o   95.283   18.145  191.854   63.927  229.295   83.938  140.143   98.645  107.095   22.870   83.471   28.177 23.62411 36.29037 
1 1 1    7   13   40 o   51.102   13.091   31.540   24.962   21.134   27.605   78.208   58.459   38.608   14.663   63.596   21.690 -24.98789 26.18129 
1 1 1    7   14    1 o  263.457   13.076  1234.33  114.706  1219.87  198.308  1241.60  140.616  262.146   21.403  264.769   15.026 -2.623199 26.15108 
1 1 1    7   14    3 o  799.536   27.107 11380.60  766.010   0.0000   0.0000 11380.60  766.010  ?   ?   799.536   27.107      ?      ? 
1 1 1    7   14    5 o  697.382   32.272  8693.43  795.468   0.0000   0.0000  8693.43  795.468  ?   ?   697.382   32.272      ?      ? 
1 1 1    7   14    9 o  547.841   20.112  5367.78  389.341  5232.21  550.648  5503.31  550.574  540.839   28.806  554.841   28.075 -14.00189 40.22468 
1 1 1    7   14   11 o  246.276   16.012  1088.20  138.092  920.012  195.288  1256.41  195.295  226.953   24.346  265.599   20.804 -38.64592 32.02360 
1 1 1    7   14   13 o  433.163   15.497  3388.38  222.389  3246.93  384.775  3459.33  272.516  425.441   25.589  440.886   17.488 -15.44446 30.99382 
1 1 1    7   14   15 o   87.268   12.176  138.741   35.052  137.146   59.785  139.576   43.268   85.907   20.055   88.629   13.813 -2.722092 24.35112 
1 1 1    7   14   17 o  417.015   16.253  3160.13  224.495  3033.10  388.392  3223.86  275.107  409.323   26.846  424.707   18.327 -15.38428 32.50542 
1 1 1    7   14   19 o  161.605   13.280  469.549   71.496  462.745  123.253  473.000   87.772  160.345   21.748  162.864   15.248 -2.518646 26.56088 
1 1 1    7   14   21 o  273.236   13.702  1365.36  123.555  1270.91  213.447  1412.96  151.522  265.150   22.776  281.322   15.239 -16.17169 27.40379 
1 1 1    7   14   23 o  116.298   11.617  243.766   45.096  237.130   77.174  247.207   55.570  114.832   19.015  117.763   13.351 -2.931633 23.23359 
1 1 1    7   14   25 o  268.947   14.598  1312.93  130.554  1288.35  225.387  1325.33  160.159  266.018   23.972  271.875   16.667 -5.857697 29.19650 
1 1 1    7   14   27 o  274.565   14.373  1404.59  118.735  1284.00  236.670  1445.16  137.259  264.694   25.298  284.435   13.653 -19.74133 28.74683 
1 1 1    7   14   29 o  377.763   15.206  2664.36  188.618  2410.70  325.476  2792.63  231.443  361.613   25.466  393.914   16.624 -32.30057 30.41119 
1 1 1    7   14   31 o  120.267   14.432  259.538   57.461  297.350   98.287  239.902   70.826  125.380   23.028  115.153   17.402 10.22717 28.86356 
1 1 1    7   14   33 o  155.721   12.326  437.189   59.420  449.664  117.042  432.857   68.969  156.128   21.210  155.314   12.564 0.8137512 24.65177 
1 1 1    7   14   35 f  197.743   15.351  731.913  106.902  652.389  148.322  817.880  154.214  186.137   22.545  209.350   20.842 -23.21349 30.70272 
1 1 1    7   14   37 o   94.055   12.157  138.836   38.327   58.500   46.189  316.445   68.678   56.935   19.281  131.175   14.813 -74.24063 24.31383 
1 1 1    7   14   39 o   22.752   8.8348  -3.7882   2.8449  -3.7145   2.8491 -28.4257   52.118   7.8426   3.7346   37.662   17.270 -29.81962 17.66950 
1 1 1    7   15    0 o  238.938   22.231  1015.06  187.740   0.0000   0.0000  1015.06  187.740  ?   ?   238.938   22.231      ?      ? 
1 1 1    7   15    2 o  110.703   22.119  225.590   83.517   0.0000   0.0000  225.590   83.517  ?   ?   110.703   22.119      ?      ? 
1 1 1    7   15    4 o  274.948   16.237  1347.51  157.491  1253.25  222.779  1441.68  222.672  265.252   23.763  284.644   22.133 -19.39114 32.47374 
1 1 1    7   15    6 o  238.982   22.282  1017.25  188.205  1017.25  188.205   0.0000   0.0000  238.982   22.282  ?   ?       ?      ? 
1 1 1    7   15    8 f  163.916   15.127  479.143   87.553  503.305  123.877  455.026  123.760  168.082   20.852  159.750   21.919 8.332047 30.25305 
1 1 1    7   15   10 o  326.743   14.886  1936.72  160.699  1814.89  277.829  1997.97  196.997  318.287   24.697  335.198   16.628 -16.91107 29.77266 
1 1 1    7   15   12 o  237.192   13.779  1005.84  108.875  1000.36  188.208  1008.60  133.476  236.298   22.535  238.087   15.862 -1.789185 27.55754 
1 1 1    7   15   14 o  121.306   13.613  263.276   54.181  279.380   92.908  254.977   66.696  122.968   22.193  119.644   15.772 3.324402 27.22694 
1 1 1    7   15   16 o  522.917   17.335  4955.33  301.216  4883.34  521.346  4991.40  369.046  518.112   28.470  527.722   19.786 -9.610168 34.66992 
1 1 1    7   15   18 o  106.815   14.249  207.762   49.916  212.100   85.798  205.542   61.372  106.361   23.454  107.269   16.187 -0.9083862 28.49757 
1 1 1    7   15   20 o  192.960   15.477  673.205  105.348  625.652  148.973  720.772  148.996  185.987   22.662  199.933   21.085 -13.94643 30.95403 
1 1 1    7   15   22 o   92.824   15.047  160.565   46.503  163.176   79.350  159.199   57.391   93.035   23.980   92.613   18.182 0.4217453 30.09335 
1 1 1    7   15   24 o  154.161   13.534  435.381   69.028  406.765  118.759  449.982   84.828  149.717   22.443  158.605   15.132 -8.888229 27.06785 
1 1 1    7   15   26 f  319.914   15.350  1922.69  160.260  1681.41  276.888  2044.24  196.523  302.447   25.902  337.382   16.481 -34.93500 30.70059 
1 1 1    7   15   28 o  342.249   14.792  2156.05  153.669  2080.31  306.521  2181.48  177.600  335.597   25.842  348.901   14.402 -13.30396 29.58398 
1 1 1    7   15   30 o  331.263   14.582  2017.21  160.491  1967.51  276.685  2042.41  197.022  326.241   23.995  336.285   16.576 -10.04391 29.16421 
1 1 1    7   15   32 f  102.649   15.898  201.375   56.020  184.812   76.545  220.478   82.206   98.019   22.562  107.279   22.403 -9.260010 31.79560 
1 1 1    7   15   34 o   86.706   15.494  144.896   47.462  127.442   64.092  166.090   70.626   81.029   21.870   92.384   21.954 -11.35430 30.98837 
1 1 1    7   15   36 o   47.877   12.511   23.742   22.534   15.088   24.769   65.300   54.278   35.433   13.777   60.321   20.887 -24.88868 25.02117 
1 1 1    7   15   38 o   60.007   14.530   61.205   34.175   50.127   40.251   89.820   64.689   52.484   17.997   67.531   22.818 -15.04669 29.06096 
1 1 1    7   16    1 o   68.783   14.854   83.871   40.537  108.468   55.774   56.329   59.019   76.706   20.268   60.861   21.722 15.84551 29.70893 
1 1 1    7   16    3 o  176.081   13.098  549.825   77.081  556.556  133.020  546.423   94.579  176.707   21.298  175.455   15.251 1.251984 26.19570 
1 1 1    7   16    5 o  346.446   17.420  2150.49  213.003  2276.03  300.674  2024.02  301.792  356.745   23.846  336.147   25.401 20.59775 34.84072 
1 1 1    7   16    7 o  251.509   13.490  1125.03  113.270  1135.65  195.745  1119.68  138.884  252.044   21.973  250.973   15.657 1.070969 26.98068 
1 1 1    7   16    9 o  363.741   14.669  2413.50  175.838  2229.08  304.108  2506.12  215.518  352.267   24.425  375.214   16.251 -22.94650 29.33739 
1 1 1    7   16   11 o  189.344   13.797  636.418   87.439  655.915  151.030  626.588  107.239  191.160   22.354  187.529   16.179 3.631058 27.59452 
1 1 1    7   16   13 o  117.588   12.946  265.422   47.774  213.064   81.984  292.342   58.787  106.936   22.408  128.240   12.970 -21.30380 25.89127 
1 1 1    7   16   15 o  262.765   14.343  1242.67  125.436  1231.39  216.889  1248.34  153.759  261.152   23.498  264.378   16.455 -3.225586 28.68632 
1 1 1    7   16   17 o  167.743   13.294  514.953   73.585  475.605  126.885  534.893   90.325  162.330   22.115  173.156   14.759 -10.82564 26.58775 
1 1 1    7   16   19 o  251.693   13.708  1163.23  113.678  1070.64  196.326  1209.93  139.430  243.143   22.845  260.243   15.159 -17.10052 27.41692 
1 1 1    7   16   21 o  335.526   24.089  2048.38  285.672   0.0000   0.0000  2048.38  285.672  ?   ?   335.526   24.089      ?      ? 
1 1 1    7   16   23 o  173.704   13.483  574.252   75.584  461.120  129.778  632.327   92.982  159.247   23.057  188.161   13.981 -28.91354 26.96510 
1 1 1    7   16   25 o  242.120   14.429  1097.05  114.211  964.669  197.113  1163.96  140.131  229.496   24.301  254.744   15.564 -25.24794 28.85753 
1 1 1    7   16   27 o  156.666   14.127  447.517   73.740  440.241  126.816  451.234   90.637  154.975   23.152  158.357   16.194 -3.381302 28.25349 
1 1 1    7   16   29 o  101.219   12.774  179.468   40.015  211.809   77.990  167.912   46.619  105.702   21.605   96.736   13.635 8.965332 25.54757 
1 1 1    7   16   31 o  112.847   12.072  257.117   39.072  192.776   75.173  280.932   45.734  100.286   21.828  125.409   10.318 -25.12343 24.14362 
1 1 1    7   16   33 o  201.171   13.596  757.857   91.178  725.292  155.062  775.067  112.725  196.171   22.364  206.170   15.469 -9.998611 27.19293 
1 1 1    7   16   35 o   94.403   26.865  184.719   93.927   0.0000   0.0000  184.719   93.927  ?   ?    94.403   26.865      ?      ? 
1 1 1    7   17    0 o  208.324   15.715  776.505  115.665  795.659  162.910  757.034  164.248  210.958   21.849  205.691   22.593 5.266220 31.42938 
1 1 1    7   17    2 o  155.049   14.662  429.698   80.071  384.272  111.968  477.246  114.552  146.586   21.611  163.513   19.821 -16.92703 29.32460 
1 1 1    7   17    4 o  167.542   16.225  506.409   95.266  576.791  134.041  434.567  135.423  179.563   21.120  155.521   24.637 24.04213 32.45057 
1 1 1    7   17    6 o  239.316   17.358  1042.58  144.188  1260.31  203.425  822.740  204.405  265.192   21.703  213.439   27.095 51.75209 34.71586 
1 1 1    7   17    8 o  273.492   16.948  1334.19  163.831   0.0000   0.0000  1334.19  163.831  ?   ?   273.492   16.948      ?      ? 
1 1 1    7   17   10 o  288.885   14.359  1501.30  137.976  1481.29  238.639  1511.34  169.107  286.719   23.549  291.051   16.439 -4.332886 28.71882 
1 1 1    7   17   12 f  155.426   12.938  431.811   67.219  434.442  115.706  430.471   82.584  155.459   21.058  155.393   15.036 0.6657410E-01 25.87541 
1 1 1    7   17   14 o  271.741   14.453  1352.80  129.510  1256.41  223.887  1401.28  158.771  263.419   24.047  280.062   16.040 -16.64297 28.90548 
1 1 1    7   17   16 o  181.658   13.874  600.331   83.571  573.047  144.072  614.167  102.596  177.937   22.908  185.379   15.658 -7.442093 27.74845 
1 1 1    7   17   18 o  229.890   13.816  984.457  103.756  859.331  179.128  1047.63  127.282  217.620   23.289  242.160   14.871 -24.53993 27.63175 
1 1 1    7   17   20 o  355.699   15.374  2345.57  179.641  2135.03  310.607  2451.40  220.206  341.699   25.719  369.698   16.852 -27.99954 30.74815 
1 1 1    7   17   22 o  349.069   18.149  2193.15  223.920   0.0000   0.0000  2193.15  223.920  ?   ?   349.069   18.149      ?      ? 
1 1 1    7   17   24 o  345.332   15.001  2202.57  170.957  2064.88  295.444  2271.88  209.614  335.253   24.933  355.411   16.687 -20.15836 30.00205 
1 1 1    7   17   26 o  190.492   15.900  652.945  107.055   0.0000   0.0000  652.945  107.055  ?   ?   190.492   15.900      ?      ? 
1 1 1    7   17   28 o  106.097   14.649  220.402   50.810  176.904   85.238  244.378   63.283   95.772   24.936  116.421   15.379 -20.64883 29.29734 
1 1 1    7   17   30 o  173.331   16.417  545.996  100.578   0.0000   0.0000  545.996  100.578  ?   ?   173.331   16.417      ?      ? 
1 1 1    7   17   32 o  137.218   15.491  343.789   75.129   0.0000   0.0000  343.789   75.129  ?   ?   137.218   15.491      ?      ? 
1 1 1    7   17   34 o  119.794   23.316  287.219   95.170  287.219   95.170   0.0000   0.0000  119.794   23.316  ?   ?       ?      ? 
1 1 1    7   17   36 o  166.405   22.945  556.929  134.953  556.929  134.953   0.0000   0.0000  166.405   22.945  ?   ?       ?      ? 
1 1 1    7   18    1 o  265.935   13.613  1254.69  121.149  1296.21  209.437  1233.82  148.518  268.724   22.051  263.147   15.968 5.577209 27.22561 
1 1 1    7   18    3 o  239.503   13.671  1026.24  109.184  1026.76  188.622  1025.97  133.897  239.057   22.324  239.950   15.788 -0.8934479 27.34268 
1 1 1    7   18    5 o  261.615   16.169  1231.79  149.492  1244.68  210.839  1218.76  211.994  263.030   22.679  260.201   23.051 2.828949 32.33732 
1 1 1    7   18    7 o  334.195   17.027  2016.32  201.105  2034.22  283.842  1998.27  284.972  335.731   23.920  332.659   24.237 3.071838 34.05310 
1 1 1    7   18    9 o  152.269   15.911  419.531   85.223  461.605  119.823  376.460  121.236  160.197   21.162  144.341   23.764 15.85643 31.82113 
1 1 1    7   18   11 o   75.111   15.217  104.393   42.604  113.768   58.510   93.812   62.158   78.148   20.812   72.074   22.207 6.074608 30.43471 
1 1 1    7   18   13 o   92.299   12.645  165.208   37.738  128.209   64.377  184.578   46.580   82.789   21.727  101.810   12.945 -19.02093 25.29087 
1 1 1    7   18   15 o  190.969   13.954  665.472   88.190  630.552  152.270  683.098  108.181  186.492   23.101  195.446   15.660 -8.953491 27.90898 
1 1 1    7   18   17 o  223.965   13.994  914.737  103.804  872.995  179.271  935.792  127.319  219.267   23.132  228.662   15.754 -9.394974 27.98701 
1 1 1    7   18   19 o  384.402   15.194  2651.47  195.466  2755.86  337.971  2599.00  239.604  388.571   24.609  380.232   17.829 8.339142 30.38848 
1 1 1    7   18   21 o  114.070   15.871  244.671   61.696  229.562   87.229  259.795   87.273  110.287   23.117  117.853   21.753 -7.566475 31.74248 
1 1 1    7   18   23 o   88.041   14.073  144.853   41.490  148.405   69.093  142.850   51.886   88.513   22.141   87.568   17.378 0.9449615 28.14641 
1 1 1    7   18   25 o   31.172   12.542   8.0042   21.187   0.0000   0.0000   8.0042   21.187  ?   ?    31.172   12.542      ?      ? 
1 1 1    7   18   27 o  323.448   24.207  1946.42  276.738   0.0000   0.0000  1946.42  276.738  ?   ?   323.448   24.207      ?      ? 
1 1 1    7   18   29 o  118.681   22.774  270.666   92.057   0.0000   0.0000  270.666   92.057  ?   ?   118.681   22.774      ?      ? 
1 1 1    7   18   31 o  102.565   16.003  206.466   56.463  211.260   79.961  201.698   79.740  103.852   22.439  101.279   22.823 2.573296 32.00631 
1 1 1    7   18   33 o   50.882   13.388   40.611   30.681   43.030   36.791   35.090   55.593   49.701   17.197   52.064   20.523 -2.363388 26.77539 
1 1 1    7   19    0 o  349.289   13.624  2188.55  158.544  2180.52  274.020  2192.59  194.384  347.985   22.279  350.593   15.687 -2.608582 27.24784 
1 1 1    7   19    2 o  139.577   15.185  350.829   74.798  329.219  105.839  372.391  105.720  135.200   22.149  143.954   20.778 -8.754074 30.36963 
1 1 1    7   19    4 o  175.307   16.540  559.575  101.297  651.177  142.640  466.376  143.877  190.236   21.214  160.378   25.382 29.85796 33.08012 
1 1 1    7   19    6 o  146.756   13.364  382.036   65.799  400.047  113.493  372.917   80.756  149.006   21.550  144.506   15.811 4.499603 26.72820 
1 1 1    7   19    8 o  483.418   16.815  4270.57  269.278  4119.92  465.991  4346.10  329.943  474.820   27.767  492.017   18.973 -17.19632 33.63007 
1 1 1    7   19   10 o   74.522   13.490  101.077   34.408  111.749   58.602   95.463   42.507   77.439   20.918   71.606   17.042 5.832779 26.98087 
1 1 1    7   19   12 o  176.941   15.945  568.254   99.428  612.734  139.930  522.896  141.304  184.145   21.500  169.737   23.554 14.40773 31.89061 
1 1 1    7   19   14 o   96.866   15.861  176.668   53.224  179.090   74.224  174.105   76.360   97.609   22.037   96.124   22.817 1.485092 31.72140 
1 1 1    7   19   16 o  328.877   16.573  1968.22  192.400  1847.19  270.875  2091.46  273.332  318.414   24.069  339.341   22.789 -20.92776 33.14623 
1 1 1    7   19   18 f  147.823   15.171  395.155   79.150  369.926  108.788  423.530  115.371  142.807   21.553  152.839   21.357 -10.03249 30.34250 
1 1 1    7   19   20 o  120.417   16.192  260.515   68.915   0.0000   0.0000  260.515   68.915  ?   ?   120.417   16.192      ?      ? 
1 1 1    7   19   22 o  269.257   23.090  1329.22  219.738   0.0000   0.0000  1329.22  219.738  ?   ?   269.257   23.090      ?      ? 
1 1 1    7   19   24 o   72.058   20.580   97.369   55.015   0.0000   0.0000   97.369   55.015  ?   ?    72.058   20.580      ?      ? 
1 1 1    7   19   26 o  234.610   16.376  1025.26  135.224  923.026  191.347  1127.24  191.123  222.289   24.355  246.931   21.899 -24.64204 32.75213 
1 1 1    7   19   28 o  124.705   13.996  288.962   57.340  299.531   97.169  283.316   71.024  124.713   22.888  124.698   16.115 0.1539612E-01 27.99164 
1 1 1    7   19   30 f  159.078   13.796  483.714   72.557  443.441  123.565  504.909   89.639  152.170   22.974  165.986   15.279 -13.81638 27.59127 
1 1 1    7   19   32 o   59.997   13.719   61.565   31.930   45.766   38.994   93.715   55.625   51.038   17.702   68.957   20.963 -17.91972 27.43748 
1 1 1    7   20    1 o  288.662   13.543  1508.13  129.792  1461.87  224.174  1531.46  159.188  284.483   22.295  292.842   15.380 -8.358704 27.08534 
1 1 1    7   20    3 o  149.938   16.512  414.218   85.005  459.873  119.472  367.410  120.971  159.700   21.166  140.176   25.350 19.52406 33.02468 
1 1 1    7   20    5 o  255.366   14.491  1182.56  122.896  1152.07  212.336  1197.92  150.703  252.008   23.839  258.724   16.480 -6.715607 28.98107 
1 1 1    7   20    7 o  217.089   13.814  863.867   98.943  802.049  170.833  895.070  121.372  210.387   22.974  223.790   15.345 -13.40334 27.62709 
1 1 1    7   20    9 o  298.560   14.152  1590.01  141.490  1659.01  244.678  1555.34  173.427  302.479   22.887  294.641   16.653 7.837830 28.30424 
1 1 1    7   20   11 o   75.669   13.957  104.984   36.526  113.595   61.455  100.281   45.419   78.038   21.564   73.300   17.726 4.738815 27.91431 
1 1 1    7   20   13 o  169.493   12.306  534.265   68.368  463.280  117.111  570.965   84.207  160.087   20.698  178.899   13.317 -18.81239 24.61184 
1 1 1    7   20   15 o  305.497   16.177  1673.60  174.671   0.0000   0.0000  1673.60  174.671  ?   ?   305.497   16.177      ?      ? 
1 1 1    7   20   21 o  162.207   21.726  481.521  124.558  481.521  124.558   0.0000   0.0000  162.207   21.726  ?   ?       ?      ? 
1 1 1    7   20   23 o  134.617   13.899  325.678   66.129   0.0000   0.0000  325.678   66.129  ?   ?   134.617   13.899      ?      ? 
1 1 1    7   20   25 o  193.922   14.170  706.919   90.859  647.415  155.074  738.025  112.120  186.075   23.579  201.769   15.722 -15.69441 28.34019 
1 1 1    7   20   27 o  221.760   14.490  916.081  107.389  918.772  183.985  914.690  132.255  220.085   23.652  223.435   16.747 -3.349731 28.98089 
1 1 1    7   20   29 o  109.130   13.655  237.764   48.144  193.636   79.748  263.069   60.391   98.363   23.298  119.898   14.251 -21.53539 27.31052 
1 1 1    7   20   31 o   28.509   9.0414   0.9436   12.279   3.1528   12.909 -20.0336   39.780   23.382   9.6460   33.635   15.295 -10.25322 18.08283 
1 1 1    7   21    0 o  110.680   10.383  218.813   40.611  221.082   57.082  216.487   57.789  111.275   14.514  110.086   14.852 1.189018 20.76630 
1 1 1    7   21    2 o   86.834   11.280  140.857   33.560   52.023   45.540  246.443   49.648   55.994   19.144  117.674   11.937 -61.67985 22.56040 
1 1 1    7   21    4 o  195.019   13.581  658.095   89.728  777.612  155.043  597.906  110.026  207.436   21.147  182.602   17.048 24.83388 27.16297 
1 1 1    7   21    6 o   72.610   13.404   96.299   33.727  105.872   56.413   90.974   42.074   75.365   20.593   69.855   17.164 5.510437 26.80806 
1 1 1    7   21    8 o  374.474   15.070  2516.78  188.781  2602.84  326.316  2473.49  231.445  377.867   24.433  371.081   17.646 6.785797 30.13929 
1 1 1    7   21   10 o  310.856   16.584  1733.25  182.210   0.0000   0.0000  1733.25  182.210  ?   ?   310.856   16.584      ?      ? 
1 1 1    7   21   12 o  197.834   22.024  710.882  154.002   0.0000   0.0000  710.882  154.002  ?   ?   197.834   22.024      ?      ? 
1 1 1    7   21   14 o  299.757   23.541  1642.68  249.411   0.0000   0.0000  1642.68  249.411  ?   ?   299.757   23.541      ?      ? 
1 1 1    7   21   16 o   90.773   15.529  156.123   49.331  145.351   69.752  166.902   69.778   87.586   22.433   93.960   21.480 -6.374474 31.05834 
1 1 1    7   21   18 o  339.486   14.765  2166.38  163.968  1916.03  282.883  2293.05  201.217  322.068   24.851  356.904   15.951 -34.83624 29.52966 
1 1 1    7   21   20 o  154.462   13.311  455.456   66.810  373.120  113.853  498.697   82.509  142.296   22.638  166.628   14.010 -24.33199 26.62221 
1 1 1    7   21   22 o  127.717   22.766  310.346   99.001  310.346   99.001   0.0000   0.0000  127.717   22.766  ?   ?       ?      ? 
1 1 1    7   21   24 o  210.187   15.309  823.379  113.017  711.404  157.473  942.318  162.296  194.816   22.870  225.558   20.358 -30.74246 30.61795 
1 1 1    7   21   26 o   33.065   8.5746   14.532   13.806   2.6316   20.323   24.730   18.814   28.497   11.956   37.632   12.294 -9.134771 17.14928 
1 1 1    7   21   28 o   65.663   11.698   87.494   27.510   58.223   44.638  105.419   34.932   56.511   18.955   74.815   13.716 -18.30390 23.39690 
1 1 1    7   21   30 o   58.327   14.700   61.575   37.167   65.153   45.488   54.387   64.465   58.429   19.118   58.224   22.337 0.2044983 29.40094 
1 1 1    7   22    1 o   97.113   12.050  188.162   36.923  128.538   61.810  221.244   46.041   82.741   21.077  111.484   11.685 -28.74252 24.09909 
1 1 1    7   22    3 o  124.253   14.826  276.080   65.112   0.0000   0.0000  276.080   65.112  ?   ?   124.253   14.826      ?      ? 
1 1 1    7   22    5 o  248.313   15.783  1104.60  138.516   0.0000   0.0000  1104.60  138.516  ?   ?   248.313   15.783      ?      ? 
1 1 1    7   22    7 o  152.275   21.544  420.588  115.949   0.0000   0.0000  420.588  115.949  ?   ?   152.275   21.544      ?      ? 
1 1 1    7   22    9 o  180.566   15.464  593.282   98.588  563.080  139.404  623.502  139.445  175.833   22.431  185.299   21.292 -9.466034 30.92733 
1 1 1    7   22   11 o  366.138   17.546  2462.72  226.957  2378.88  320.933  2546.58  320.997  359.661   25.247  372.616   24.374 -12.95590 35.09211 
1 1 1    7   22   13 o  209.629   13.876  794.268   97.281  804.962  167.385  788.813  119.543  209.830   22.570  209.428   16.150 0.4020844 27.75284 
1 1 1    7   22   15 o  517.271   17.940  4957.73  308.355  4929.52  533.421  4971.89  377.891  512.090   29.472  522.452   20.464 -10.36145 35.87993 
1 1 1    7   22   17 o   97.248   13.371  181.129   42.689  155.775   71.589  195.119   53.177   90.307   22.509  104.188   14.441 -13.88080 26.74267 
1 1 1    7   22   19 o  139.409   13.951  371.386   62.085  326.154  105.658  395.240   76.730  130.739   23.740  148.080   14.660 -17.34116 27.90161 
1 1 1    7   22   21 o  179.126   13.970  608.983   82.057  537.493  140.613  645.901  101.047  169.407   23.484  188.846   15.139 -19.43935 27.94079 
1 1 1    7   22   23 o   33.492   13.042   12.847   22.223   0.0000   0.0000   12.847   22.223  ?   ?    33.492   13.042      ?      ? 
1 1 1    7   22   25 o   54.945   13.906   48.553   36.481   74.320   46.746   8.4134   58.344   62.600   19.253   47.290   20.071 15.30998 27.81203 
1 1 1    7   22   27 o  129.938   14.918  325.767   64.986  228.828   86.740  449.796   98.115  105.732   23.787  154.143   18.009 -48.41145 29.83517 
1 1 1    7   23    0 o  283.867   23.305  1470.84  233.825   0.0000   0.0000  1470.84  233.825  ?   ?   283.867   23.305      ?      ? 
1 1 1    7   23    2 o  247.623   16.114  1118.31  141.000  1093.56  199.533  1143.00  199.276  244.794   23.062  250.452   22.512 -5.658340 32.22778 
1 1 1    7   23    4 o  219.669   15.777  879.731  122.405  841.312  173.081  918.171  173.131  214.721   22.806  224.618   21.808 -9.897385 31.55490 
1 1 1    7   23    6 o   86.976   14.635  138.451   42.920  159.081   72.193  127.173   53.378   91.632   22.464   82.321   18.763 9.311119 29.26921 
1 1 1    7   23    8 o  129.084   13.894  287.509   61.167  358.920  104.554  250.350   75.421  140.437   21.064  117.731   18.125 22.70561 27.78866 
1 1 1    7   23   10 o   82.296   11.757  138.499   32.011   79.780   52.737  172.757   40.281   66.185   20.465   98.406   11.581 -32.22198 23.51486 
1 1 1    7   23   12 o  325.475   14.450  1959.37  155.417  1846.68  268.218  2016.33  190.692  316.445   23.981  334.504   16.129 -18.05902 28.90052 
1 1 1    7   23   14 o  223.163   13.157  938.174   95.924  812.063  164.850  1002.73  117.949  210.082   22.201  236.243   14.126 -26.16066 26.31423 
1 1 1    7   23   16 o  197.506   13.025  720.478   85.311  682.107  146.426  740.196  104.966  192.364   21.536  202.647   14.655 -10.28278 26.04973 
1 1 1    7   23   18 o  178.748   13.138  616.378   75.892  497.971  129.797  677.886   93.550  163.548   22.454  193.948   13.647 -30.40070 26.27623 
1 1 1    7   23   20 o  235.107   14.340  1061.28  109.993  927.052  189.282  1129.71  135.154  221.036   24.229  249.178   15.346 -28.14247 28.67970 
1 1 1    7   23   22 f   58.958   12.824   63.176   28.675   74.752   46.644   56.144   36.357   62.901   19.213   55.015   16.989 7.885429 25.64722 
1 1 1    7   23   24 o  155.831   16.306  451.746   89.808   0.0000   0.0000  451.746   89.808  ?   ?   155.831   16.306      ?      ? 
1 1 1    7   23   26 o   97.585   13.612  191.530   43.731  169.617   73.314  203.633   54.485   90.609   22.886  104.561   14.743 -13.95223 27.22374 
1 1 1    7   24    1 o  245.522   15.597  1101.58  134.948  996.471  188.984  1210.94  192.762  233.247   22.924  257.798   21.155 -24.55138 31.19388 
1 1 1    7   24    3 o   74.280   11.168  102.128   28.419   86.741   38.769  119.998   41.781   68.088   16.322   80.472   15.248 -12.38390 22.33624 
1 1 1    7   24    5 o  182.342   13.960  591.875   85.931  646.470  147.490  563.818  105.731  187.907   22.207  176.778   16.922 11.12868 27.92002 
1 1 1    7   24    7 o   91.166   13.985  156.803   42.322  154.644   70.866  158.000   52.766   90.119   22.356   92.214   16.809 -2.094887 27.97034 
1 1 1    7   24    9 o   72.429   11.929  103.113   30.379   67.415   49.756  124.330   38.359   61.558   19.987   83.300   13.029 -21.74209 23.85869 
1 1 1    7   24   11 o  192.421   13.797  670.794   89.046  693.814  152.964  658.994  109.516  193.936   22.316  190.905   16.231 3.031586 27.59398 
1 1 1    7   24   13 o  151.681   12.998  430.972   65.012  386.139  110.941  454.420   80.231  144.565   21.712  158.797   14.295 -14.23167 25.99565 
1 1 1    7   24   15 o  166.068   13.278  528.661   71.659  440.937  122.622  574.159   88.308  153.773   22.561  178.361   14.008 -24.58786 26.55639 
1 1 1    7   24   17 o  121.518   14.178  271.812   56.832  298.467   96.921  257.844   70.160  124.309   22.903  118.727   16.719 5.582634 28.35666 
1 1 1    7   24   19 o  235.404   14.222  1047.17  110.955  1012.22  191.082  1064.94  136.284  229.937   23.512  240.872   16.008 -10.93449 28.44425 
1 1 1    7   24   21 o  200.600   14.200  785.906   93.145  699.342  159.947  830.326  114.577  189.033   23.940  212.167   15.279 -23.13342 28.39998 
1 1 1    7   24   23 o   63.447   12.400   80.787   28.898   62.111   46.930   92.194   36.677   57.771   19.435   69.124   15.406 -11.35289 24.80052 
1 1 1    7   25    0 o  109.651   18.029  236.350   74.673  353.617  102.704  104.834  108.765  138.966   20.910   80.335   29.377 58.63084 36.05856 
1 1 1    7   25    2 o  212.662   15.846  891.015  106.209  989.465  129.289  686.693  186.255  234.228   15.617  191.096   27.576 43.13210 31.69158 
1 1 1    7   25    4 o  106.453   17.168  219.894   63.188  242.111   86.269  194.179   92.812  112.828   22.423  100.077   26.003 12.75156 34.33573 
1 1 1    7   25    6 o  108.329   17.203  228.143   64.288  252.691   88.090  200.168   94.036  115.212   22.440  101.447   26.082 13.76501 34.40615 
1 1 1    7   25    8 o   56.765   12.507   58.817   27.557   52.896   44.101   62.609   35.295   55.536   18.840   57.994   16.456 -2.457550 25.01478 
1 1 1    7   25   10 o  225.122   13.998  930.995  105.293  936.302  180.853  928.275  129.505  224.142   22.829  226.101   16.206 -1.958237 27.99588 
1 1 1    7   25   12 o  151.317   13.679  420.667   69.387  426.973  118.657  417.391   85.536  151.176   22.207  151.458   15.979 -0.2821198 27.35810 
1 1 1    7   25   14 o   94.621   13.986  166.366   43.791  193.233   73.784  151.756   54.410   99.861   21.538   89.382   17.848 10.47884 27.97199 
1 1 1    7   25   16 o   97.789   13.291  196.221   41.949  136.875   70.340  228.981   52.260   83.245   23.095  112.333   13.163 -29.08779 26.58287 
1 1 1    7   25   18 o   59.960   11.753   71.235   26.201   49.439   42.476   84.622   33.289   53.224   18.474   66.696   14.532 -13.47171 23.50520 
1 1 1    7   25   20 o  142.407   14.509  408.328   65.361  355.627  111.562  435.871   80.652  131.544   24.907  153.269   14.888 -21.72499 29.01759 
1 1 1    7   25   22 o  129.659   14.341  340.326   59.382  308.009  101.049  357.374   73.391  121.247   24.424  138.071   15.039 -16.82405 28.68295 
1 1 1    7   26    1 o  106.015   13.784  238.758   45.867  135.197   77.330  294.965   56.970   83.882   24.531  128.148   12.578 -44.26568 27.56727 
1 1 1    7   26    3 o  128.251   11.550  300.453   52.058  329.347   72.646  269.954   74.637  134.851   15.242  121.650   17.359 13.20041 23.10067 
1 1 1    7   26    5 o  107.533   14.490  211.735   51.252  252.766   86.946  189.886   63.448  114.767   22.238  100.298   18.582 14.46871 28.97945 
1 1 1    7   26    7 o   81.468   16.421  129.674   50.231  150.911   67.543  103.394   75.136   88.267   21.783   74.668   24.577 13.59812 32.84116 
1 1 1    7   26    9 o  183.212   18.463  659.824  113.989  789.406  159.526  524.637  162.939  204.943   22.023  161.482   29.641 43.46080 36.92678 
1 1 1    7   26   11 o  190.165   16.879  694.916  112.908  747.918  157.228  638.479  162.243  198.554   22.404  181.777   25.253 16.77635 33.75867 
1 1 1    7   26   13 o   71.772   12.926  102.657   32.525   82.902   53.963  113.928   40.760   66.026   20.749   77.519   15.419 -11.49346 25.85105 
1 1 1    7   26   15 o  183.939   13.935  643.926   85.362  641.199  146.617  645.325  104.992  181.381   22.870  186.497   15.928 -5.116043 27.87022 
1 1 1    7   26   17 o  160.451   14.082  487.757   76.010  525.782  130.458  468.214   93.525  163.154   22.623  157.748   16.774 5.406296 28.16337 
1 1 1    7   26   19 o   55.429   12.143   59.511   26.005   53.579   42.077   63.178   33.079   53.875   18.401   56.982   15.848 -3.106693 24.28552 
1 1 1    7   27    0 o  119.474   12.047  268.895   48.639  319.346   67.877  215.647   69.733  132.546   14.489  106.401   19.251 26.14476 24.09452 
1 1 1    7   27    2 f   83.036   9.7893  127.248   27.276   87.332   37.179  173.772   40.138   67.827   15.802   98.245   11.559 -30.41838 19.57851 
1 1 1    7   27    4 o   86.605   11.502  141.333   33.859  135.580   46.277  147.960   49.670   84.739   16.039   88.471   16.491 -3.732574 23.00422 
1 1 1    7   27    6 f  128.513   13.907  299.504   60.779  347.958  103.626  274.094   75.042  135.386   21.656  121.641   17.454 13.74455 27.81416 
1 1 1    7   27    8 o  127.334   14.000  315.813   57.257  289.546   97.372  329.696   70.788  120.653   23.679  134.014   14.945 -13.36032 28.00090 
1 1 1    7   27   10 o  125.898   13.787  289.039   59.085  345.138  100.886  259.751   72.895  133.998   21.302  117.798   17.508 16.20044 27.57339 
1 1 1    7   27   12 o  113.561   15.023  252.468   58.554  196.596   80.025  316.848   85.902   98.097   23.407  129.024   18.837 -30.92768 30.04529 
1 1 1    7   27   14 o  142.930   23.553  410.195  118.986   0.0000   0.0000  410.195  118.986  ?   ?   142.930   23.553      ?      ? 
1 1 1    7   28    1 o  127.843   10.329  301.307   46.235  251.663   64.401  354.111   66.419  116.588   15.629  139.099   13.510 -22.51154 20.65837 
1 1 1    7   28    3 o  146.129   10.922  395.402   56.382  379.081   78.830  412.496   80.675  142.976   15.599  149.282   15.290 -6.306244 21.84329 
1 1 1    7   28    5 o  209.660   14.254  852.571   98.812  816.153  169.849  871.203  121.486  203.065   23.665  216.256   15.894 -13.19168 28.50725 
1 1 1    7   28    7 o  115.505   14.313  275.732   52.399  217.815   88.790  306.682   64.907  102.250   24.819  128.761   14.262 -26.51133 28.62518 
1 1 1    7   28    9 o   84.885   17.516  141.154   50.807   0.0000   0.0000  141.154   50.807  ?   ?    84.885   17.516      ?      ? 
1 1 1    7   29    0 o   72.748   12.353  105.386   31.464  117.301   43.168   91.882   45.957   77.584   16.262   67.912   18.599 9.672340 24.70609 
1 1 1    7   29    2 o   71.951   11.785  101.864   29.345  104.063   40.189   99.353   42.950   73.020   16.013   70.881   17.297 2.139198 23.57082 
1 1 1    8    0    0 o   40.654   12.256   41.538   25.358   41.538   25.358   41.538   25.358   40.654   17.333   40.654   17.333 -0.000000 0.000000 
1 1 1    8    0    2 o  819.685   17.847 11949.70  729.648 11949.70  729.648 11949.70  729.648  819.685   25.239  819.685   25.239 -0.000000 0.000000 
1 1 1    8    0    4 o  165.737   11.042  498.804   89.608  498.804   89.608  498.804   89.608  165.737   15.616  165.737   15.616 -0.000000 0.000000 
1 1 1    8    0    6 o  555.155   14.208  5476.88  393.081  5476.88  393.081  5476.88  393.081  555.155   20.093  555.155   20.093 -0.000000 0.000000 
1 1 1    8    0    8 o  470.216   13.281  3930.57  311.010  3930.57  311.010  3930.57  311.010  470.216   18.782  470.216   18.782 -0.000000 0.000000 
1 1 1    8    0   10 o  909.491   19.068 14687.30  865.136 14687.30  865.136 14687.30  865.136  909.491   26.967  909.491   26.967 -0.000000 0.000000 
1 1 1    8    0   12 o  896.715   18.923 14276.47  846.438 14276.47  846.438 14276.47  846.438  896.715   26.761  896.715   26.761 -0.000000 0.000000 
1 1 1    8    0   14 o  338.848   17.165  2063.59  287.304  2063.59  287.304  2063.59  287.304  338.848   24.275  338.848   24.275 -0.000000 0.000000 
1 1 1    8    0   16 o   79.379   18.975  144.027   67.367  144.027   67.367  144.027   67.367   79.379   26.835   79.379   26.835 -0.000000 0.000000 
1 1 1    8    0   18 o  307.061   16.861  1699.90  255.196  1699.90  255.196  1699.90  255.196  307.061   23.845  307.061   23.845 -0.000000 0.000000 
1 1 1    8    0   20 o  422.259   18.260  3196.59  382.099  3196.59  382.099  3196.59  382.099  422.259   25.823  422.259   25.823 -0.000000 0.000000 
1 1 1    8    1    1 o  611.982   14.925  6653.84  322.710  6449.39  456.372  6858.30  456.391  602.529   21.430  621.434   20.779 -18.90485 29.84966 
1 1 1    8    1    3 o  776.442   21.341 10877.91  548.547 10400.19  950.030 11116.83  671.859  762.159   35.267  790.726   24.040 -28.56659 42.68131 
1 1 1    8    1    5 o   79.001   10.998  114.394   29.615  115.759   41.895  113.030   41.867   79.492   15.468   78.509   15.638 0.9835052 21.99527 
1 1 1    8    1    7 o  122.375   15.320  269.816   64.907  277.638   91.788  261.993   91.798  125.149   20.751  119.601   22.543 5.548935 30.63949 
1 1 1    8    1    9 o  843.478   21.659 12405.06  613.983 13410.40  1063.42 11902.35  751.982  867.956   34.665  819.000   25.978 48.95679 43.31852 
1 1 1    8    1   11 o  541.430   16.454  5012.43  301.214  5819.05  521.739  4609.17  368.902  572.759   25.773  510.101   20.461 62.65808 32.90753 
1 1 1    8    1   15 o  360.433   17.168  2305.31  218.572  2398.92  309.029  2211.61  309.187  367.785   23.773  353.081   24.776 14.70425 34.33653 
1 1 1    8    1   17 o  441.571   18.259  3462.77  284.969  3443.87  402.826  3481.71  403.188  440.360   25.882  442.782   25.763 -2.422241 36.51831 
1 1 1    8    1   19 o  289.277   16.597  1489.42  169.202  1616.51  238.934  1361.58  239.643  301.746   22.404  276.808   24.494 24.93753 33.19470 
1 1 1    8    1   21 o  367.177   17.343  2400.41  224.992  2466.94  317.888  2333.63  318.487  372.315   24.157  362.038   24.890 10.27710 34.68502 
1 1 1    8    1   23 o  740.250   20.624  9842.95  507.960  9866.91  622.084  9795.00  879.919  743.497   23.673  737.002   33.780 6.494934 41.24873 
1 1 1    8    1   25 o  280.971   16.154  1404.98  160.416  1404.98  160.416   0.0000   0.0000  280.971   16.154  ?   ?       ?      ? 
1 1 1    8    1   27 o  230.647   15.988  948.594  130.332  948.594  130.332   0.0000   0.0000  230.647   15.988  ?   ?       ?      ? 
1 1 1    8    1   29 o  163.922   14.785  479.300   85.658  479.300   85.658   0.0000   0.0000  163.922   14.785  ?   ?       ?      ? 
1 1 1    8    1   31 o  205.052   15.618  795.389  103.134  856.363  125.701  669.806  180.399  218.722   16.260  191.383   26.669 27.33978 31.23536 
1 1 1    8    1   33 o  300.797   14.056  1603.33  141.393  1543.78  172.485  1725.32  246.872  293.379   16.634  308.214   22.662 -14.83527 28.11166 
1 1 1    8    1   35 o   84.061   17.282  131.704   49.630  131.704   49.630   0.0000   0.0000   84.061   17.282  ?   ?       ?      ? 
1 1 1    8    1   37 o   72.573   15.668   97.173   41.263  100.999   48.378   86.958   79.046   73.253   18.640   71.893   25.188 1.360191 31.33502 
1 1 1    8    1   39 o   87.210   16.980  148.369   54.010  162.756   70.488  127.911   84.055   92.071   21.967   82.349   25.898 9.721802 33.96019 
1 1 1    8    1   41 o   66.930   19.973   84.987   50.840   84.987   50.840   0.0000   0.0000   66.930   19.973  ?   ?       ?      ? 
1 1 1    8    2    0 o  697.333   19.731  8659.91  458.539  8699.31  794.155  8640.21  561.613  697.501   32.214  697.165   22.792 0.3361206 39.46131 
1 1 1    8    2    2 o  689.715   19.852  8569.34  453.469  8210.58  785.344  8748.78  555.414  677.715   32.786  701.716   22.394 -24.00110 39.70446 
1 1 1    8    2    4 o  181.574   13.248  593.737   79.503  558.059  137.610  611.613   97.405  177.305   21.959  185.844   14.829 -8.539139 26.49701 
1 1 1    8    2    6 o  210.790   13.793  819.247   94.695  701.683  163.895  878.160  116.021  198.849   23.320  222.731   14.738 -23.88193 27.58634 
1 1 1    8    2    8 o  319.531   16.521  1811.21  186.480  1741.37  263.662  1881.11  263.782  313.344   23.807  325.717   22.913 -12.37296 33.04224 
1 1 1    8    2   10 o  659.253   22.014  7723.68  512.925  7809.14  725.332  7638.19  725.440  662.921   30.957  655.584   31.308 7.336975 44.02836 
1 1 1    8    2   14 o  1440.02   39.430 37330.49  2006.47 38140.56  2837.52 36520.34  2837.65  1455.94   55.141  1424.10   56.376 31.83472 78.85956 
1 1 1    8    2   16 o  1278.73   30.846 29428.55  1309.77 29734.92  1604.16 28815.86  2268.52  1291.67   35.138  1265.79   50.706 25.87842 61.69107 
1 1 1    8    2   18 o  313.591   16.621  1746.01  184.182  1706.63  260.718  1785.24  260.227  310.044   23.792  317.139   23.216 -7.095306 33.24189 
1 1 1    8    2   20 o  324.348   15.416  1863.73  176.731  1863.73  176.731   0.0000   0.0000  324.348   15.416  ?   ?       ?      ? 
1 1 1    8    2   22 o  297.754   16.371  1573.06  172.291  1573.06  172.291   0.0000   0.0000  297.754   16.371  ?   ?       ?      ? 
1 1 1    8    2   24 o  205.971   15.386  758.281  111.869  712.798  157.700  804.354  158.718  199.689   22.344  212.252   21.157 -12.56215 30.77111 
1 1 1    8    2   26 o  168.311   13.191  505.838   74.232  507.353  127.645  505.064   91.249  168.200   21.471  168.422   15.329 -0.2220306 26.38146 
1 1 1    8    2   28 o  367.567   14.728  2402.61  181.149  2349.11  221.821  2509.73  313.874  362.448   17.316  372.686   23.828 -10.23816 29.45534 
1 1 1    8    2   30 o  286.433   13.661  1463.00  130.828  1438.31  160.262  1512.32  226.513  283.609   15.988  289.257   22.156 -5.647675 27.32204 
1 1 1    8    2   32 o   45.574   10.266   32.855   20.156   10.513   28.106   56.510   28.921   35.888   14.443   55.260   14.592 -19.37197 20.53126 
1 1 1    8    2   34 o  100.199   14.273  179.960   44.300  174.036   51.531  196.736   86.718   98.607   14.786  101.790   24.417 -3.182434 28.54506 
1 1 1    8    2   36 o  212.784   10.611  811.472   79.735  769.081  110.571  857.399  115.088  206.979   15.115  218.589   14.896 -11.61032 21.22155 
1 1 1    8    2   38 o  104.322   13.641  201.381   46.898  200.007   58.149  203.936   79.323  105.272   15.628  103.372   22.361 1.899414 27.28101 
1 1 1    8    2   40 o   70.839   14.272   46.166   28.322   26.997   30.119  192.626   83.252   42.392   15.465   99.286   23.991 -56.89394 28.54405 
1 1 1    8    3    1 o  715.478   19.667  9037.62  470.791  9373.61  815.355  8869.58  576.627  724.474   31.842  706.482   23.093 17.99158 39.33445 
1 1 1    8    3    3 f  220.257   15.537  861.212  120.946  851.573  171.049  870.850  171.037  219.019   22.096  221.495   21.848 -2.476303 31.07354 
1 1 1    8    3    5 o   68.249   19.822   84.151   50.646   84.151   50.646   0.0000   0.0000   68.249   19.822  ?   ?       ?      ? 
1 1 1    8    3    7 o  466.526   18.670  3866.01  307.570  4054.73  434.960  3677.27  434.980  477.972   25.747  455.080   27.043 22.89172 37.33972 
1 1 1    8    3    9 o  1059.32   30.305 20047.86  1134.22 19418.97  1603.97 20676.84  1604.09  1042.52   43.530  1076.11   42.174 -33.59521 60.61000 
1 1 1    8    3   11 o  962.130   28.709 16582.30  969.623 14376.62  1371.29 18787.73  1371.21  897.272   43.240  1026.99   37.776 -129.7168 57.41735 
1 1 1    8    3   13 o  658.260   18.915  7574.27  417.747  7335.47  511.639  8051.82  723.544  643.327   22.502  673.193   30.409 -29.86633 37.82903 
1 1 1    8    3   15 o  845.969   25.977 12782.96  774.559 13872.57  1095.36 11693.21  1095.43  882.413   35.121  809.525   38.285 72.88818 51.95417 
1 1 1    8    3   17 o  814.008   17.058 11785.21  489.341 10747.59  691.932 12823.44  692.134  777.933   25.165  850.084   23.036 -72.15088 34.11668 
1 1 1    8    3   19 f  509.874   16.810  4606.71  285.817  4581.18  349.927  4657.86  495.406  508.214   19.481  511.533   27.401 -3.319305 33.62036 
1 1 1    8    3   21 o  721.821   16.190  9270.50  413.038  9344.78  583.984  9196.15  584.264  724.735   22.798  718.907   22.994 5.828064 32.38036 
1 1 1    8    3   23 o  539.241   16.561  5166.53  298.124  5110.40  365.025  5278.98  516.651  535.795   19.275  542.686   26.936 -6.890808 33.12211 
1 1 1    8    3   25 o  176.917   15.094  601.902   84.523  671.875  103.088  458.375  147.641  194.354   15.007  159.481   26.193 34.87286 30.18717 
1 1 1    8    3   27 o  207.568   10.826  768.772   79.081  680.085  110.760  860.993  112.946  195.255   16.049  219.880   14.533 -24.62468 21.65185 
1 1 1    8    3   29 o  109.343   15.001  229.983   52.612  248.878   64.119  191.042   92.047  118.061   15.366  100.624   25.769 17.43711 30.00244 
1 1 1    8    3   31 f  179.950   10.896  577.980   69.181  532.480   95.831  627.499   99.975  172.525   15.716  187.375   15.096 -14.84972 21.79147 
1 1 1    8    3   33 f   78.538   12.035  113.381   32.238  102.283   42.642  128.186   49.251   74.085   16.686   82.992   17.349 -8.906059 24.07082 
1 1 1    8    3   35 o  170.391   11.625  520.892   69.930  497.456   96.109  547.258  101.940  166.344   16.347  174.438   16.534 -8.093872 23.25081 
1 1 1    8    3   37 o  109.827   10.194  213.606   39.225  194.679   51.489  239.782   60.552  104.163   13.986  115.492   14.834 -11.32935 20.38728 
1 1 1    8    3   39 f   80.597   11.199  115.606   31.020   86.115   40.313  158.410   48.568   67.536   16.923   93.658   14.672 -26.12143 22.39750 
1 1 1    8    3   41 o   82.653   15.604   87.112   38.768   57.147   42.469  236.859   94.941   56.294   18.475  109.012   25.153 -52.71843 31.20873 
1 1 1    8    4    0 o  259.902   22.501  1199.64  206.700  1199.64  206.700   0.0000   0.0000  259.902   22.501  ?   ?       ?      ? 
1 1 1    8    4    2 o  285.408   22.882  1446.29  230.821  1446.29  230.821   0.0000   0.0000  285.408   22.882  ?   ?       ?      ? 
1 1 1    8    4    4 o  504.489   16.657  4470.79  281.363  4376.78  344.628  4658.71  487.249  496.938   19.621  512.039   26.923 -15.10098 33.31453 
1 1 1    8    4    6 o  517.034   16.244  4613.40  283.169  4341.31  346.832  5157.35  490.401  495.008   19.824  539.059   25.739 -44.05130 32.48831 
1 1 1    8    4    8 o  914.419   27.146 14905.85  877.191 14596.93  1240.49 15214.81  1240.58  904.861   38.787  923.978   37.988 -19.11731 54.29122 
1 1 1    8    4   10 o  1117.69   22.521 22202.20  889.681 22111.80  1258.19 22292.61  1258.21  1115.40   31.915  1119.98   31.785 -4.576904 45.04281 
1 1 1    8    4   12 o  606.894   16.305  6257.98  335.095  5654.61  410.309  7466.45  580.677  564.979   20.547  648.809   25.322 -83.83026 32.60983 
1 1 1    8    4   14 o  500.205   13.659  4436.24  241.138  4706.19  341.018  4166.29  341.023  515.474   18.718  484.936   19.897 30.53860 27.31709 
1 1 1    8    4   16 o  160.923   15.344  459.949   87.086  493.095  122.951  426.579  123.366  166.771   20.859  155.074   22.508 11.69658 30.68711 
1 1 1    8    4   18 o  247.664   9.5645  1088.59   83.403  979.373  117.988  1197.66  117.912  235.196   14.193  260.133   12.825 -24.93715 19.12909 
1 1 1    8    4   20 o  295.054   12.275  1490.26  121.906  1379.66  148.634  1717.57  213.081  279.038   15.071  311.069   19.381 -32.03116 24.55059 
1 1 1    8    4   22 o  309.819   10.946  1714.11  118.459  1405.23  166.633  2029.70  168.434  281.312   16.759  338.326   14.086 -57.01434 21.89231 
1 1 1    8    4   24 o  329.128   11.867  1929.97  137.893  2024.34  194.426  1834.46  195.598  337.296   16.309  320.959   17.242 16.33707 23.73342 
1 1 1    8    4   26 o   40.610   12.810   28.875   20.550   28.875   20.550   0.0000   0.0000   40.610   12.810  ?   ?       ?      ? 
1 1 1    8    4   28 o  273.726   11.953  1352.38  114.177  1583.60  160.574  1115.92  162.384  297.914   15.250  249.538   18.411 48.37613 23.90677 
1 1 1    8    4   30 o  234.078   10.897  979.020   90.138  956.162  126.344  1002.72  128.635  231.288   15.455  236.867   15.365 -5.579056 21.79342 
1 1 1    8    4   32 o  221.358   11.155  877.776   86.911  776.496  121.434  984.138  124.443  208.123   16.508  234.592   15.009 -26.46927 22.31087 
1 1 1    8    4   34 o  223.553   11.720  896.911   92.381  814.015  128.306  986.142  133.119  212.730   17.065  234.376   16.070 -21.64642 23.44008 
1 1 1    8    4   36 o  150.921   13.626  416.948   68.283  424.527   83.872  402.051  117.591  153.676   15.442  148.164   22.455 5.512100 27.25178 
1 1 1    8    4   38 o  189.674   22.082  664.119  148.033  664.119  148.033   0.0000   0.0000  189.674   22.082  ?   ?       ?      ? 
1 1 1    8    4   40 o   36.636   13.816   18.056   24.397   18.056   24.397   0.0000   0.0000   36.636   13.816  ?   ?       ?      ? 
1 1 1    8    4   42 o   55.414   15.598   44.000   39.957   59.381   42.600 -68.5657  115.242   56.719   18.498   54.110   25.121 2.608639 31.19679 
1 1 1    8    5    1 o  479.296   26.671  4082.96  451.811  4082.96  451.811   0.0000   0.0000  479.296   26.671  ?   ?       ?      ? 
1 1 1    8    5    3 o  668.811   31.398  7959.67  742.207   0.0000   0.0000  7959.67  742.207  ?   ?   668.811   31.398      ?      ? 
1 1 1    8    5    5 o  449.616   25.987  3587.78  412.974   0.0000   0.0000  3587.78  412.974  ?   ?   449.616   25.987      ?      ? 
1 1 1    8    5    7 f  373.987   24.442  2480.34  323.085   0.0000   0.0000  2480.34  323.085  ?   ?   373.987   24.442      ?      ? 
1 1 1    8    5    9 o  1020.79   25.770 18728.74  871.875 19077.19  1067.89 18032.09  1509.95  1036.53   29.149  1005.05   42.506 31.47125 51.54069 
1 1 1    8    5   11 o  754.835   23.859 10135.33  636.449 10332.01  900.126  9938.71  900.024  762.205   33.413  747.464   34.068 14.74121 47.71812 
1 1 1    8    5   13 o  240.571   11.530  1028.07   97.515  1149.85  137.908  906.298  137.905  254.893   15.308  226.250   17.245 28.64348 23.05925 
1 1 1    8    5   15 o  393.716   14.850  2729.49  195.477  2691.69  239.460  2805.00  338.432  389.852   17.379  397.579   24.084 -7.727570 29.69932 
1 1 1    8    5   17 o  116.854   10.382  245.420   41.668  177.323   58.384  316.115   59.487  100.054   16.510  133.654   12.593 -33.60073 20.76413 
1 1 1    8    5   19 o  603.808   16.929  6654.91  335.559  6981.97  411.037  6001.38  581.029  627.388   18.536  580.228   28.332 47.16028 33.85712 
1 1 1    8    5   21 o  188.948   12.154  598.041   76.784  532.025   92.473  744.604  137.786  173.203   15.106  204.693   19.045 -31.48975 24.30836 
1 1 1    8    5   23 f   51.225   14.595   47.728   27.703   47.728   27.703   0.0000   0.0000   51.225   14.595  ?   ?       ?      ? 
1 1 1    8    5   25 o  193.531   21.992  672.136  150.430   0.0000   0.0000  672.136  150.430  ?   ?   193.531   21.992      ?      ? 
1 1 1    8    5   27 o  277.372   12.962  1318.33  120.907  1198.43  146.934  1569.76  212.777  259.105   16.045  295.640   20.363 -36.53506 25.92447 
1 1 1    8    5   29 o  157.969   10.040  447.400   54.500  320.239   74.950  590.076   79.391  133.844   15.844  182.093   12.336 -48.24953 20.07949 
1 1 1    8    5   31 o   69.812   10.500   94.503   26.185   43.647   38.459  138.449   35.751   51.409   17.592   88.214   11.466 -36.80500 20.99928 
1 1 1    8    5   33 o  406.265   18.220  3027.53  261.565  3096.58  369.732  2958.35  370.085  411.085   25.447  401.444   26.083 9.641327 36.43985 
1 1 1    8    5   35 o  172.360   15.402  541.988   93.801  556.744  132.642  527.225  132.669  174.784   21.471  169.937   22.088 4.846649 30.80435 
1 1 1    8    5   37 o  220.314   13.877  863.976  104.498  969.846  175.124  805.435  130.223  229.826   21.559  210.802   17.478 19.02408 27.75366 
1 1 1    8    5   39 f   38.869   18.856 -128.8037   80.858   0.0000   0.0000 -128.8037   80.858  ?   ?    38.869   18.856      ?      ? 
1 1 1    8    5   41 o   90.507   19.408  169.414   64.568  182.119   74.964  132.902  127.082   95.991   22.489   85.024   31.636 10.96725 38.81532 
1 1 1    8    6    0 o  777.600   24.420 10779.21  670.670 10314.03  948.504 11244.34  948.436  760.675   35.279  794.525   33.774 -33.84979 48.83952 
1 1 1    8    6    2 o  579.043   20.580  5959.67  420.999  5760.27  595.427  6159.02  595.338  569.301   29.591  588.785   28.608 -19.48395 41.15907 
1 1 1    8    6    4 o  745.306   23.495  9897.43  617.416 10687.03  873.327  9108.45  872.989  775.268   31.872  715.344   34.528 59.92389 46.98931 
1 1 1    8    6    6 o  1083.20   43.743 20963.83  1674.68 20963.83  1674.68   0.0000   0.0000  1083.20   43.743  ?   ?       ?      ? 
1 1 1    8    6    8 o  880.851   37.445 13819.36  1165.77 13819.36  1165.77   0.0000   0.0000  880.851   37.445  ?   ?       ?      ? 
1 1 1    8    6   10 o  698.065   22.578  8684.82  554.747  9594.18  784.709  7776.29  784.352  734.904   30.211  661.226   33.562 73.67834 45.15583 
1 1 1    8    6   12 o  352.349   15.084  2179.63  177.795  2263.59  308.242  2137.77  217.650  357.232   24.413  347.465   17.723 9.766785 30.16763 
1 1 1    8    6   14 o  222.309   12.851  860.442   95.891  922.656  166.295  829.450  117.369  228.152   20.622  216.466   15.341 11.68597 25.70226 
1 1 1    8    6   16 o  320.947   23.489  1828.70  266.451   0.0000   0.0000  1828.70  266.451  ?   ?   320.947   23.489      ?      ? 
1 1 1    8    6   18 o  239.951   13.884  1021.29  111.352  1022.31  191.644  1020.77  136.817  239.887   22.603  240.015   16.128 -0.1279449 27.76711 
1 1 1    8    6   20 o  293.569   16.280  1535.37  168.787  1463.79  238.594  1607.08  238.808  286.665   23.549  300.473   22.487 -13.80759 32.56041 
1 1 1    8    6   22 f  210.624   13.390  766.757   95.622  871.300  163.958  712.869  117.714  220.998   20.991  200.249   16.632 20.74905 26.78092 
1 1 1    8    6   24 o  438.201   17.046  3469.56  261.495  2912.51  368.008  4037.65  371.639  401.915   25.906  474.487   22.160 -72.57220 34.09121 
1 1 1    8    6   26 o  241.193   13.630  1065.62  109.844  660.664  152.011  1508.12  158.903  191.554   22.452  290.832   15.459 -99.27756 27.25946 
1 1 1    8    6   28 o  198.324   13.600  705.180   90.726  710.836  154.186  702.186  112.207  198.440   21.984  198.208   16.017 0.2317047 27.19957 
1 1 1    8    6   30 o  297.746   23.393  1609.52  246.184  1609.52  246.184   0.0000   0.0000  297.746   23.393  ?   ?       ?      ? 
1 1 1    8    6   32 o  113.961   18.581  254.439   75.941  325.065  100.570  160.747  115.834  133.980   21.238   93.942   30.496 40.03802 37.16248 
1 1 1    8    6   34 f  124.485   13.754  295.256   56.018  243.324   89.290  328.962   71.935  113.519   23.042  135.452   15.026 -21.93328 27.50793 
1 1 1    8    6   36 o  246.460   15.815  1118.28  137.032  1246.83  193.897  990.002  193.688  261.196   21.003  231.723   23.649 29.47336 31.62918 
1 1 1    8    6   38 o   48.440   10.419   41.508   19.802   55.219   28.919   29.404   27.171   54.400   14.694   42.479   14.774 11.92120 20.83729 
1 1 1    8    6   40 o  106.537   16.957  176.174   55.583  127.009   63.048  347.698  117.762   80.748   21.648  132.326   26.106 -51.57842 33.91441 
1 1 1    8    6   42 f   86.108   16.461   94.994   41.279   63.716   44.768  272.515  106.652   58.280   18.961  113.935   26.913 -55.65495 32.92153 
1 1 1    8    7    1 o  1167.10   33.005 24401.74  1360.11 23155.34  1923.54 25647.99  1923.43  1136.89   47.870  1197.32   45.451 -60.42810 66.01019 
1 1 1    8    7    3 o  1023.07   41.836 18685.05  1512.79 18685.05  1512.79   0.0000   0.0000  1023.07   41.836  ?   ?       ?      ? 
1 1 1    8    7    5 o  838.622   25.525 12522.19  756.329 12883.79  1069.74 12160.77  1069.48  850.818   35.573  826.426   36.614 24.39172 51.04939 
1 1 1    8    7    7 o  1091.91   31.182 21311.89  1202.30 20270.71  1700.32 22353.03  1700.29  1064.93   45.174  1118.88   42.995 -53.95654 62.36411 
1 1 1    8    7    9 o  1026.77   29.543 18865.97  1067.94 20773.55  1510.44 16959.09  1510.17  1079.33   39.594  974.219   43.858 105.1069 59.08637 
1 1 1    8    7   11 o  419.910   17.988  3129.83  266.832  3245.42  377.307  3014.18  377.409  427.700   24.959  412.119   25.910 15.58136 35.97647 
1 1 1    8    7   13 o  601.169   21.107  6445.65  446.503  7139.95  631.443  5751.32  631.458  633.846   28.186  568.493   31.427 65.35352 42.21466 
1 1 1    8    7   15 o  288.094   16.961  1484.17  170.937  1722.56  241.318  1244.11  242.167  311.590   21.912  264.598   25.895 46.99252 33.92154 
1 1 1    8    7   17 o  603.958   20.222  6472.82  431.671   0.0000   0.0000  6472.82  431.671  ?   ?   603.958   20.222      ?      ? 
1 1 1    8    7   19 o  147.423   15.082  386.531   78.571  395.980  111.212  377.114  111.022  149.232   21.085  145.613   21.572 3.619125 30.16471 
1 1 1    8    7   21 o  513.535   16.849  4809.70  285.214  4439.27  493.012  4996.03  349.667  497.241   28.052  529.828   18.672 -32.58688 33.69860 
1 1 1    8    7   23 o  534.441   20.282  5177.78  381.856  5651.00  539.947  4704.28  540.106  559.503   27.304  509.380   30.000 50.12262 40.56474 
1 1 1    8    7   25 o  203.212   12.956  744.762   87.884  719.317  150.122  758.029  108.400  200.135   21.223  206.289   14.867 -6.154556 25.91219 
1 1 1    8    7   27 o   63.085   14.837   67.290   37.121   67.096   45.232   67.690   64.965   61.226   18.957   64.944   22.830 -3.717499 29.67438 
1 1 1    8    7   29 o   99.664   15.755  165.416   55.930  286.987   92.234   94.715   70.338  126.123   20.691   73.205   23.764 52.91828 31.50934 
1 1 1    8    7   31 o  219.803   13.244  911.410   95.179  748.336  160.828  999.310  118.076  203.069   22.408  236.537   14.124 -33.46751 26.48734 
1 1 1    8    7   33 o  161.614   21.632  475.013  123.565  475.013  123.565   0.0000   0.0000  161.614   21.632  ?   ?       ?      ? 
1 1 1    8    7   35 o  287.696   17.107  1524.87  173.585  1518.16  237.755  1532.54  254.022  287.397   23.406  287.996   24.955 -0.5994263 34.21428 
1 1 1    8    7   37 o   70.791   13.199   94.237   34.250  121.839   48.756   67.348   48.123   80.399   17.642   61.182   19.636 19.21682 26.39709 
1 1 1    8    8    0 o  1201.99   47.598 25862.56  2022.12 25862.56  2022.12   0.0000   0.0000  1201.99   47.598  ?   ?       ?      ? 
1 1 1    8    8    2 o  1275.05   35.231 29140.81  1586.90 30219.00  2244.36 28062.90  2244.06  1298.97   48.884  1251.13   50.747 47.84070 70.46243 
1 1 1    8    8    4 o  1183.87   46.993 25074.68  1966.33 25074.68  1966.33   0.0000   0.0000  1183.87   46.993  ?   ?       ?      ? 
1 1 1    8    8    6 o  335.679   16.805  2003.81  198.432  1779.07  280.533  2228.86  280.719  316.724   25.060  354.634   22.396 -37.91019 33.60942 
1 1 1    8    8    8 o  399.490   17.719  2834.78  249.659  3046.56  353.055  2622.95  353.086  414.491   24.099  384.489   25.982 30.00180 35.43813 
1 1 1    8    8   10 o  1024.73   29.871 18846.40  1075.19 21233.38  1520.58 16459.59  1520.53  1090.63   39.447  958.823   44.868 131.8058 59.74266 
1 1 1    8    8   12 f  703.865   23.162  8832.83  575.302  9398.01  813.390  8267.07  813.809  726.596   31.673  681.134   33.804 45.46277 46.32365 
1 1 1    8    8   14 o  217.814   15.966  843.780  122.592  909.396  172.735  777.191  174.013  226.404   21.586  209.224   23.532 17.17966 31.93272 
1 1 1    8    8   16 o  390.420   24.813  2710.54  342.395  2710.54  342.395   0.0000   0.0000  390.420   24.813  ?   ?       ?      ? 
1 1 1    8    8   18 o  668.429   22.406  8004.35  529.331  8050.88  747.533  7957.55  749.646  670.417   31.547  666.441   31.825 3.976318 44.81182 
1 1 1    8    8   20 o  222.167   13.384  912.014   97.461  783.097  166.716  978.945  120.125  209.458   22.520  234.876   14.470 -25.41693 26.76784 
1 1 1    8    8   22 o  195.823   13.087  705.336   84.482  621.995  144.078  749.006  104.293  186.365   21.873  205.281   14.374 -18.91498 26.17357 
1 1 1    8    8   24 o  275.019   16.275  1361.23  158.175  1345.74  221.483  1377.36  225.969  273.444   22.917  276.594   23.115 -3.149689 32.54934 
1 1 1    8    8   26 f  319.164   14.063  1827.22  150.036  1839.03  258.204  1821.20  184.353  319.093   22.894  319.235   16.339 -0.1416931 28.12647 
1 1 1    8    8   28 o  209.973   14.188  766.416  101.483  897.784  172.769  697.213  125.396  222.842   21.936  197.105   18.000 25.73749 28.37532 
1 1 1    8    8   30 o  217.640   15.223  853.720  116.675  758.389  159.804  962.555  170.747  204.544   22.104  230.736   20.937 -26.19127 30.44626 
1 1 1    8    8   32 o   57.911   20.346   54.103   51.590   0.0000   0.0000   54.103   51.590  ?   ?    57.911   20.346      ?      ? 
1 1 1    8    8   34 o  127.728   14.540  292.582   65.639   0.0000   0.0000  292.582   65.639  ?   ?   127.728   14.540      ?      ? 
1 1 1    8    8   36 o   49.299   14.221   44.681   26.148   0.0000   0.0000   44.681   26.148  ?   ?    49.299   14.221      ?      ? 
1 1 1    8    8   40 o   96.582   22.569  185.002   75.657  185.002   75.657   0.0000   0.0000   96.582   22.569  ?   ?       ?      ? 
1 1 1    8    8   42 o  105.944   23.265  230.995   84.731  230.995   84.731   0.0000   0.0000  105.944   23.265  ?   ?       ?      ? 
1 1 1    8    9    1 o  1358.92   37.231 33158.27  1786.85 34625.13  2527.13 31691.74  2526.86  1389.46   51.459  1328.39   53.819 61.07141 74.46149 
1 1 1    8    9    3 o  951.393   27.962 16149.61  939.164 17036.83  1328.26 15262.60  1328.10  977.774   38.435  925.012   40.622 52.76221 55.92303 
1 1 1    8    9    5 o  1105.44   31.439 21844.32  1228.33 21768.23  1737.08 21920.41  1737.16  1103.49   44.538  1107.39   44.383 -3.894409 62.87703 
1 1 1    8    9    7 o  428.902   18.316  3274.80  276.334  3641.49  390.709  2907.80  390.882  453.102   24.397  404.702   27.327 48.39972 36.63299 
1 1 1    8    9    9 o  562.494   20.558  5637.70  407.162  6199.89  575.678  5074.97  575.951  590.786   27.570  534.201   30.504 56.58459 41.11674 
1 1 1    8    9   11 o  129.874   15.942  304.862   71.403  326.186  100.070  282.746  101.912  135.633   20.875  124.116   24.100 11.51662 31.88391 
1 1 1    8    9   13 o  102.756   11.488  200.578   37.269  161.916   63.594  220.803   45.995   93.801   19.803  111.712   11.649 -17.91081 22.97552 
1 1 1    8    9   15 o  303.903   16.447  1641.36  176.659  1630.80  249.020  1652.06  250.656  302.919   23.259  304.887   23.260 -1.967926 32.89410 
1 1 1    8    9   17 o  343.901   23.941  2106.73  290.996  2106.73  290.996   0.0000   0.0000  343.901   23.941  ?   ?       ?      ? 
1 1 1    8    9   19 o  658.484   31.423  7812.54  731.338  7812.54  731.338   0.0000   0.0000  658.484   31.423  ?   ?       ?      ? 
1 1 1    8    9   21 o  325.720   16.612  1903.21  191.198  1843.81  268.673  1964.16  272.152  320.525   23.716  330.914   23.269 -10.38962 33.22483 
1 1 1    8    9   23 o   83.327   13.386  129.219   37.669  126.734   61.254  130.730   47.769   82.487   20.966   84.167   16.647 -1.679802 26.77117 
1 1 1    8    9   25 o  213.927   13.422  825.600   95.815  805.864  164.175  835.795  117.995  211.443   21.968  216.410   15.426 -4.966934 26.84346 
1 1 1    8    9   27 o  105.108   16.518  197.754   61.364   0.0000   0.0000  197.754   61.364  ?   ?   105.108   16.518      ?      ? 
1 1 1    8    9   31 o   63.797   22.047   67.615   60.461   0.0000   0.0000   67.615   60.461  ?   ?    63.797   22.047      ?      ? 
1 1 1    8    9   33 o  251.986   16.193  1162.54  144.127  1116.52  203.873  1208.52  203.781  246.819   23.370  257.152   22.421 -10.33359 32.38604 
1 1 1    8    9   35 o  280.208   14.749  1396.18  139.477  1578.89  241.077  1304.24  171.004  292.358   23.330  268.057   18.049 24.30118 29.49703 
1 1 1    8    9   37 o  117.150   15.375  217.101   58.198  148.185   68.357  398.649  110.949   87.659   22.076  146.640   21.407 -58.98061 30.75043 
1 1 1    8    9   39 o   57.280   15.720   42.142   33.679   40.938   36.043   50.427   94.544   49.124   17.020   65.436   26.436 -16.31248 31.44085 
1 1 1    8    9   41 o  153.046   19.296  489.983   98.915  501.666  127.279  472.166  157.179  159.617   22.561  146.474   31.310 13.14262 38.59148 
1 1 1    8   10    0 o  895.682   26.802 14296.05  848.485 14236.65  1199.93 14355.46  1199.94  893.805   37.983  897.558   37.825 -3.752808 53.60473 
1 1 1    8   10    2 o  866.230   26.162 13369.25  800.915 13149.41  1132.59 13589.14  1132.74  859.049   37.302  873.411   36.694 -14.36194 52.32478 
1 1 1    8   10    4 o  563.927   20.355  5651.55  405.415  5893.41  573.247  5409.52  573.440  576.067   28.155  551.788   29.403 24.27893 40.70914 
1 1 1    8   10    6 f  747.222   23.710  9941.20  626.162  9834.11  885.315 10048.40  885.739  743.167   33.705  751.278   33.357 -8.111328 47.42037 
1 1 1    8   10    8 o  336.078   17.018  2005.86  201.940  2106.93  285.201  1904.24  285.974  344.612   23.415  327.545   24.702 17.06726 34.03638 
1 1 1    8   10   10 o  388.613   17.985  2689.70  246.090  2953.34  347.624  2424.84  348.425  407.854   24.115  369.372   26.689 38.48236 35.96949 
1 1 1    8   10   12 o  151.280   14.947  415.837   75.935  307.786  105.860  530.363  108.986  129.583   23.997  172.977   17.826 -43.39465 29.89382 
1 1 1    8   10   14 o  438.519   14.462  3256.82  215.119  3973.71  372.296  2897.50  263.573  472.885   22.275  404.152   18.452 68.73392 28.92452 
1 1 1    8   10   16 f  855.373   27.131 13234.02  817.623 14418.40  1155.82 12047.70  1156.77  894.588   36.555  816.157   40.101 78.43036 54.26171 
1 1 1    8   10   18 o  670.329   31.769  8104.68  752.692   0.0000   0.0000  8104.68  752.692  ?   ?   670.329   31.769      ?      ? 
1 1 1    8   10   20 o  153.105   16.979  430.267   88.923  474.519  122.801  381.483  128.936  162.829   21.338  143.381   26.416 19.44707 33.95736 
1 1 1    8   10   22 o  205.300   22.638  758.078  164.265   0.0000   0.0000  758.078  164.265  ?   ?   205.300   22.638      ?      ? 
1 1 1    8   10   26 o  201.212   14.715  722.747  104.648   0.0000   0.0000  722.747  104.648  ?   ?   201.212   14.715      ?      ? 
1 1 1    8   10   28 f  245.410   13.602  1109.65  109.837  1012.24  189.611  1158.84  134.747  236.212   22.711  254.608   14.974 -18.39691 27.20321 
1 1 1    8   10   30 o  297.347   13.863  1644.78  134.990  1458.76  233.044  1738.70  165.601  283.008   23.298  311.686   15.032 -28.67795 27.72667 
1 1 1    8   10   32 o  301.011   14.952  1660.81  149.970  1610.79  256.826  1686.69  184.738  296.036   24.546  305.985   17.082 -9.948944 29.90452 
1 1 1    8   10   34 o   58.068   14.773   41.721   30.508   33.948   33.349   81.595   75.534   46.253   16.347   69.883   24.613 -23.62944 29.54688 
1 1 1    8   10   36 o  154.156   14.180  426.937   75.540  485.680  123.047  391.406   95.697  162.017   21.488  146.295   18.507 15.72191 28.35933 
1 1 1    8   10   38 o   46.093   13.525   20.856   31.450   36.266   33.431 -97.7108   92.733   46.793   16.381   45.394   21.526 1.399391 27.05049 
1 1 1    8   10   40 o  109.462   20.034  268.183   78.675  306.621   97.963  198.351  132.041  123.486   23.300   95.439   32.598 28.04706 40.06834 
1 1 1    8   11    1 o  1010.43   25.156 17848.15  854.105 19295.62  1479.63 17124.83  1045.96  1039.40   40.276  981.468   30.152 57.93585 50.31236 
1 1 1    8   11    3 o  726.345   20.970  9284.63  509.847  9672.89  883.206  9090.58  624.388  736.955   33.908  715.735   24.682 21.21960 41.93988 
1 1 1    8   11    5 o  731.020   21.062  9481.84  513.460  9570.27  889.390  9437.63  628.840  732.812   34.338  729.228   24.398 3.583679 42.12353 
1 1 1    8   11    7 o  386.131   16.818  2710.89  213.513  2465.37  369.664  2833.80  261.552  372.356   28.089  399.906   18.505 -27.55017 33.63608 
1 1 1    8   11    9 o  677.002   18.923  7903.80  432.395  8969.31  748.982  7371.15  529.556  709.677   29.860  644.326   23.253 65.35034 37.84628 
1 1 1    8   11   11 o  367.009   14.303  2333.92  176.803  2572.67  306.036  2214.32  216.609  380.569   22.752  353.450   17.339 27.11911 28.60591 
1 1 1    8   11   13 o  409.600   14.750  2894.62  203.887  3266.13  352.933  2708.54  249.783  428.487   23.304  390.713   18.088 37.77393 29.50009 
1 1 1    8   11   15 o  1038.22   23.870 19004.52  833.015 20650.05  1442.54 18181.27  1020.33  1068.68   38.191  1007.76   28.646 60.91962 47.74014 
1 1 1    8   11   17 o  636.840   16.991  7212.43  382.440   0.0000   0.0000  7212.43  382.440  ?   ?   636.840   16.991      ?      ? 
1 1 1    8   11   19 o  151.580   15.246  408.776   81.681   0.0000   0.0000  408.776   81.681  ?   ?   151.580   15.246      ?      ? 
1 1 1    8   11   21 o  202.358   21.945  735.891  156.953   0.0000   0.0000  735.891  156.953  ?   ?   202.358   21.945      ?      ? 
1 1 1    8   11   23 o  129.051   21.219  299.794   96.787  299.794   96.787   0.0000   0.0000  129.051   21.219  ?   ?       ?      ? 
1 1 1    8   11   25 o  432.338   26.077  3408.54  398.478  3408.54  398.478   0.0000   0.0000  432.338   26.077  ?   ?       ?      ? 
1 1 1    8   11   27 o  223.251   13.949  900.477  104.089  891.776  178.337  904.974  128.190  221.707   22.758  224.795   16.134 -3.088684 27.89730 
1 1 1    8   11   29 f   33.502   8.4553   17.138   12.675   12.220   19.915   20.487   16.432   32.226   12.402   34.778   11.496 -2.552925 16.91062 
1 1 1    8   11   31 o   77.598   15.007   98.238   39.687  158.758   74.502   74.261   46.894   91.461   23.054   63.735   19.219 27.72633 30.01454 
1 1 1    8   11   33 o  203.309   12.995  784.676   79.837  679.084  155.602  822.407   93.014  192.146   22.912  214.472   12.270 -22.32661 25.99083 
1 1 1    8   11   35 o   45.555   11.321   33.020   22.483   37.942   33.926   29.166   30.021   47.821   16.516   43.288   15.488 4.533077 22.64154 
1 1 1    8   11   37 o   47.294   12.942   8.9215   16.000   4.7102   16.456   81.747   68.430   26.768   10.949   67.820   23.454 -41.05181 25.88380 
1 1 1    8   11   39 o   73.277   14.677   61.823   32.579   36.924   35.378  200.773   83.574   47.200   16.821   99.355   24.056 -52.15524 29.35346 
1 1 1    8   12    0 o  956.435   25.180 16534.45  796.358 15683.22  1379.34 16960.05  975.333  936.086   41.690  976.783   28.251 -40.69733 50.36074 
1 1 1    8   12    2 o  235.546   14.599  1003.24  113.353  928.130  196.309  1040.81  138.838  228.653   24.291  242.439   16.203 -13.78589 29.19876 
1 1 1    8   12    4 o  417.008   16.855  3120.93  232.781  2988.40  403.252  3187.16  285.076  409.953   27.831  424.063   19.020 -14.10962 33.70907 
1 1 1    8   12    6 o  683.700   18.842  8090.43  434.241  9038.23  752.138  7616.55  531.832  712.398   29.871  655.002   22.973 57.39594 37.68341 
1 1 1    8   12    8 o  640.467   19.153  7355.37  407.062  7139.63  704.863  7463.32  498.615  632.563   31.527  648.371   21.758 -15.80798 38.30611 
1 1 1    8   12   10 o  167.317   13.320  500.166   74.094  486.290  127.941  507.169   90.886  165.444   21.880  169.190   15.199 -3.746124 26.64042 
1 1 1    8   12   12 o  547.189   19.353  5318.39  374.290   0.0000   0.0000  5318.39  374.290  ?   ?   547.189   19.353      ?      ? 
1 1 1    8   12   14 o  358.016   24.216  2288.67  306.421   0.0000   0.0000  2288.67  306.421  ?   ?   358.016   24.216      ?      ? 
1 1 1    8   12   16 o  615.624   30.323  6843.88  659.785   0.0000   0.0000  6843.88  659.785  ?   ?   615.624   30.323      ?      ? 
1 1 1    8   12   18 o  104.076   14.448  202.988   51.669  282.552   73.247  124.182   72.897  125.929   16.457   82.223   23.752 43.70654 28.89606 
1 1 1    8   12   20 o   87.693   13.547  139.942   39.328  152.780   66.795  133.130   48.656   90.472   21.250   84.914   16.807 5.558571 27.09316 
1 1 1    8   12   22 o  227.141   11.925  907.558   83.714  954.051  166.698  891.878   96.806  230.332   20.477  223.949   12.230 6.382782 23.85091 
1 1 1    8   12   24 o  247.300   13.944  1053.33  116.995  1269.75  201.979  944.054  143.525  265.160   21.551  229.440   17.699 35.72026 27.88742 
1 1 1    8   12   26 o  214.348   15.321  830.549  115.897  768.680  161.128  896.871  166.826  205.978   22.132  222.719   21.193 -16.74095 30.64270 
1 1 1    8   12   28 f   37.007   8.9738   21.774   14.491   13.594   20.933   29.301   20.079   33.354   12.744   40.659   12.637 -7.304966 17.94768 
1 1 1    8   12   30 o  298.136   14.300  1594.28  131.515  1650.88  260.999  1575.02  152.257  299.769   24.634  296.503   14.529 3.265320 28.59912 
1 1 1    8   12   32 o  370.490   14.809  2645.28  177.017  2123.87  303.179  2914.96  218.042  338.448   25.345  402.532   15.326 -64.08408 29.61812 
1 1 1    8   12   34 f  137.809   14.163  369.712   61.531  304.504  104.675  404.141   76.059  125.871   24.410  149.747   14.371 -23.87622 28.32566 
1 1 1    8   12   36 o  167.161   16.923  532.769   99.208  562.013  135.032  498.469  146.240  173.021   22.081  161.301   25.651 11.72035 33.84614 
1 1 1    8   12   38 o   67.292   15.612   75.987   38.654   62.700   44.762  114.950   76.653   58.165   18.961   76.419   24.808 -18.25403 31.22447 
1 1 1    8   12   40 o   72.325   21.132  106.235   57.408  106.235   57.408   0.0000   0.0000   72.325   21.132  ?   ?       ?      ? 
1 1 1    8   13    1 o  194.170   13.507  680.320   86.617  634.216  149.790  703.481  106.167  189.022   22.421  199.318   15.070 -10.29604 27.01498 
1 1 1    8   13    3 o  622.640   17.320  6716.56  363.353  7457.06  629.274  6346.19  445.041  647.277   27.506  598.002   21.056 49.27521 34.64021 
1 1 1    8   13    5 o  366.321   15.940  2377.43  206.387   0.0000   0.0000  2377.43  206.387  ?   ?   366.321   15.940      ?      ? 
1 1 1    8   13    7 o  516.781   27.668  4759.57  505.356   0.0000   0.0000  4759.57  505.356  ?   ?   516.781   27.668      ?      ? 
1 1 1    8   13    9 o  480.029   26.735  4109.93  453.587   0.0000   0.0000  4109.93  453.587  ?   ?   480.029   26.735      ?      ? 
1 1 1    8   13   11 o  292.917   23.061  1529.16  238.755   0.0000   0.0000  1529.16  238.755  ?   ?   292.917   23.061      ?      ? 
1 1 1    8   13   13 o  453.289   18.475  3682.64  295.922  3779.99  418.598  3585.39  418.394  459.360   25.782  447.217   26.470 12.14337 36.95096 
1 1 1    8   13   15 f  153.896   13.466  414.241   69.828  449.876  120.347  396.155   85.736  158.589   21.471  149.203   16.258 9.386307 26.93153 
1 1 1    8   13   17 f  316.916   15.218  1767.86  162.133  1909.68  280.393  1696.63  198.723  325.630   24.363  308.201   18.243 17.42923 30.43578 
1 1 1    8   13   19 o  495.805   27.453  4466.66  481.090   0.0000   0.0000  4466.66  481.090  ?   ?   495.805   27.453      ?      ? 
1 1 1    8   13   21 o  279.225   14.581  1397.81  135.991  1418.98  234.864  1387.14  166.795  279.996   23.733  278.453   16.948 1.542725 29.16262 
1 1 1    8   13   23 o  100.698   12.578  184.938   38.117  185.881   75.163  184.612   44.226   99.555   21.951  101.842   12.287 -2.286819 25.15594 
1 1 1    8   13   25 o  116.250   13.653  241.131   48.091  261.263   94.837  234.163   55.797  117.952   23.573  114.548   13.782 3.404930 27.30586 
1 1 1    8   13   27 o  156.093   13.094  452.916   67.379  396.961  114.508  482.551   83.333  147.891   21.906  164.295   14.351 -16.40375 26.18843 
1 1 1    8   13   29 o  183.450   18.759  641.691  114.864  799.805  160.960  477.616  163.965  209.529   21.735  157.370   30.581 52.15915 37.51754 
1 1 1    8   13   31 o  110.808   15.022  232.682   55.278  212.682   90.802  244.459   69.678  105.272   24.810  116.345   16.944 -11.07372 30.04442 
1 1 1    8   13   33 o  116.202   13.583  275.937   46.303  200.104   86.750  306.148   54.754  101.653   24.445  130.750   11.848 -29.09711 27.16513 
1 1 1    8   13   35 o  113.918   18.033  256.821   69.777  260.739   90.227  250.990  110.064  116.048   22.811  111.788   27.935 4.259911 36.06554 
1 1 1    8   13   37 o   92.728   15.684  160.720   49.808  124.085   62.453  224.742   82.560   79.146   21.684  106.309   22.665 -27.16298 31.36721 
1 1 1    8   13   39 o  129.825   17.563  348.906   77.145  331.960  102.483  371.065  117.188  126.993   23.704  132.657   25.923 -5.663177 35.12696 
1 1 1    8   14    0 o  602.165   20.599  6436.42  438.415   0.0000   0.0000  6436.42  438.415  ?   ?   602.165   20.599      ?      ? 
1 1 1    8   14    2 o  594.151   19.664  6265.21  412.938   0.0000   0.0000  6265.21  412.938  ?   ?   594.151   19.664      ?      ? 
1 1 1    8   14    4 o  756.729   33.996 10261.22  909.262   0.0000   0.0000 10261.22  909.262  ?   ?   756.729   33.996      ?      ? 
1 1 1    8   14    8 o  447.475   18.255  3579.82  288.229  3819.99  407.742  3339.95  407.493  462.650   24.935  432.300   26.669 30.34946 36.51060 
1 1 1    8   14   10 o  239.316   14.434  1006.80  115.903  1063.11  200.352  978.472  142.093  243.996   23.232  234.637   17.134 9.359207 28.86712 
1 1 1    8   14   12 o  118.620   14.751  251.039   57.473  270.680   98.865  241.013   70.634  120.872   23.988  116.368   17.174 4.503937 29.50208 
1 1 1    8   14   14 o  225.493   16.012  912.761  127.522  941.937  179.206  882.833  181.502  229.223   22.119  221.764   23.156 7.459320 32.02330 
1 1 1    8   14   16 o  212.602   13.034  815.631   92.061  785.405  158.625  830.984  113.049  209.170   21.456  216.035   14.805 -6.865219 26.06849 
1 1 1    8   14   18 o  438.149   15.588  3458.99  227.449  3452.18  393.418  3462.41  278.757  436.434   25.504  439.863   17.930 -3.428558 31.17647 
1 1 1    8   14   20 o  140.658   17.767  354.528   88.329   0.0000   0.0000  354.528   88.329  ?   ?   140.658   17.767      ?      ? 
1 1 1    8   14   22 o  361.013   14.930  2367.76  179.026  2308.60  309.248  2397.58  219.558  356.248   24.560  365.778   16.983 -9.530487 29.86016 
1 1 1    8   14   24 f  196.522   13.121  710.070   78.131  664.454  155.343  725.516   90.397  191.273   22.978  201.770   12.676 -10.49623 26.24263 
1 1 1    8   14   26 o  113.914   13.245  240.203   45.052  232.945   88.399  242.750   52.363  111.163   23.247  116.664   12.699 -5.501671 26.48913 
1 1 1    8   14   28 o  306.573   13.987  1766.71  128.587  1580.35  255.850  1829.69  148.737  293.199   24.689  319.947   13.153 -26.74777 27.97403 
1 1 1    8   14   30 o   85.380   15.012  134.226   44.843  110.016   58.389  169.043   70.021   76.390   20.982   94.370   21.476 -17.98055 30.02454 
1 1 1    8   14   32 o  232.423   15.849  999.307  130.098  947.098  181.097  1054.99  187.020  226.036   22.668  238.811   22.157 -12.77565 31.69822 
1 1 1    8   14   34 o  170.589   15.272  537.102   91.391  459.005  122.208  636.197  137.660  156.480   22.096  184.697   21.088 -28.21628 30.54390 
1 1 1    8   14   36 o   77.484   16.418  116.304   46.993  110.204   58.384  127.527   79.192   74.888   21.135   80.079   25.131 -5.191299 32.83681 
1 1 1    8   14   38 o   73.896   15.965  104.811   43.470   90.085   52.994  135.098   76.001   67.284   20.463   80.508   24.510 -13.22401 31.92956 
1 1 1    8   15    1 o  107.910   14.501  213.517   53.631  269.083   76.210  159.000   75.487  123.125   17.512   92.694   23.119 30.43028 29.00284 
1 1 1    8   15    3 o  312.860   16.568  1744.59  183.196  1731.00  259.202  1758.15  258.954  311.631   23.533  314.089   23.327 -2.458069 33.13507 
1 1 1    8   15    5 o  101.491   16.714  190.742   62.189  268.337   86.701  108.516   89.251  122.799   19.976   80.183   26.803 42.61600 33.42831 
1 1 1    8   15    7 o  309.592   13.508  1690.41  140.092  1756.31  242.109  1657.24  171.768  313.737   21.834  305.447   15.911 8.290619 27.01579 
1 1 1    8   15    9 f  284.992   13.891  1443.62  132.275  1463.96  228.444  1433.36  162.240  286.076   22.593  283.908   16.168 2.167572 27.78245 
1 1 1    8   15   11 o  611.097   18.599  6619.81  381.431  7077.87  660.370  6390.48  467.257  624.987   29.895  597.207   22.137 27.78064 37.19852 
1 1 1    8   15   13 o  264.944   12.921  1271.00  113.407  1203.82  195.620  1305.01  139.182  259.075   21.363  270.812   14.541 -11.73758 25.84243 
1 1 1    8   15   15 o  173.111   13.493  543.889   77.458  515.167  133.300  558.531   95.175  169.197   22.290  177.026   15.211 -7.828827 26.98603 
1 1 1    8   15   17 o  214.299   13.223  818.566   94.889  838.459  163.467  808.456  116.532  215.769   21.435  212.828   15.492 2.941299 26.44693 
1 1 1    8   15   19 o  260.659   13.997  1232.18  121.093  1192.46  209.136  1252.21  148.523  256.653   23.055  264.665   15.877 -8.011688 27.99307 
1 1 1    8   15   21 o  115.230   13.626  250.905   50.243  220.021   85.983  266.917   61.912  108.186   23.184  122.275   14.326 -14.08874 27.25286 
1 1 1    8   15   23 o  127.748   14.552  302.250   60.270  290.444  102.867  308.420   74.373  124.285   24.288  131.211   16.037 -6.926895 29.10495 
1 1 1    8   15   25 o  282.858   13.894  1478.59  118.789  1381.86  236.689  1511.16  137.338  274.832   24.366  290.885   13.358 -16.05389 27.78781 
1 1 1    8   15   27 o  286.057   14.288  1578.36  120.633  1309.94  240.095  1669.00  139.523  266.507   25.489  305.608   12.917 -39.10086 28.57524 
1 1 1    8   15   29 o  169.509   13.294  528.231   68.997  508.540  135.855  535.076   80.096  166.177   23.130  172.841   13.111 -6.664413 26.58799 
1 1 1    8   15   31 o  193.361   13.507  707.762   78.544  636.228  155.525  732.253   91.002  184.746   23.818  201.977   12.748 -17.23183 27.01486 
1 1 1    8   15   33 o  174.747   16.266  557.578  100.466   0.0000   0.0000  557.578  100.466  ?   ?   174.747   16.266      ?      ? 
1 1 1    8   15   35 o   51.588   13.934   36.735   37.350   61.854   43.277 -36.6021   73.946   57.775   18.629   45.401   20.726 12.37344 27.86760 
1 1 1    8   15   37 o   62.915   25.582   53.894   89.170   0.0000   0.0000   53.894   89.170  ?   ?    62.915   25.582      ?      ? 
1 1 1    8   16    0 o  139.472   17.714  363.269   83.416  467.896  116.993  255.077  118.969  162.045   20.427  116.898   28.947 45.14680 35.42828 
1 1 1    8   16    2 o  359.089   18.198  2323.65  229.021  2659.10  323.343  1985.95  324.428  385.616   23.724  332.562   27.601 53.05466 36.39569 
1 1 1    8   16    4 o  475.809   18.927  4067.11  318.295  4044.03  449.496  4090.32  450.781  474.444   26.805  477.174   26.728 -2.730072 37.85388 
1 1 1    8   16    6 o  141.104   12.042  357.307   56.608  345.897   97.196  363.164   69.638  139.205   19.755  143.003   13.778 -3.798386 24.08493 
1 1 1    8   16    8 o  216.327   13.043  837.302   94.008  828.734  162.259  841.631  115.338  215.134   21.339  217.521   15.002 -2.386978 26.08502 
1 1 1    8   16   10 o  266.170   13.873  1248.21  123.993  1329.83  214.367  1207.17  152.001  272.132   22.287  260.209   16.527 11.92270 27.74667 
1 1 1    8   16   12 o  281.737   14.543  1436.95  135.883  1385.50  234.902  1462.82  166.583  277.155   23.980  286.318   16.461 -9.162994 29.08605 
1 1 1    8   16   14 o  212.195   13.975  805.041   99.069  817.639  171.084  798.685  121.515  212.913   22.735  211.477   16.257 1.435440 27.94917 
1 1 1    8   16   16 o  197.979   13.883  694.336   92.303  736.769  159.335  672.902  113.240  201.984   22.319  193.973   16.517 8.010513 27.76612 
1 1 1    8   16   18 o   77.457   14.594  110.033   39.361  117.634   66.511  105.936   48.830   79.575   22.594   75.340   18.478 4.234100 29.18752 
1 1 1    8   16   20 o  257.506   16.057  1204.59  145.755  1105.74  206.085  1303.52  206.174  246.642   23.641  268.370   21.736 -21.72839 32.11434 
1 1 1    8   16   22 o  247.424   14.169  1125.69  115.784  1045.70  199.464  1166.34  142.191  239.666   23.547  255.183   15.765 -15.51649 28.33746 
1 1 1    8   16   24 o  402.541   16.161  2987.18  215.284  2859.76  372.146  3051.27  263.929  393.706   26.744  411.376   18.152 -17.66992 32.32222 
1 1 1    8   16   26 o  136.392   14.629  351.964   63.980  316.260  108.947  370.759   79.047  129.136   24.771  143.648   15.569 -14.51215 29.25733 
1 1 1    8   16   28 o   82.057   12.495  123.626   32.576  125.446   61.893  122.929   38.312   81.286   21.290   82.828   13.087 -1.542038 24.99059 
1 1 1    8   16   30 o  136.872   13.851  353.925   56.460  335.028  109.618  360.748   65.869  132.081   24.379  141.664   13.155 -9.582809 27.70243 
1 1 1    8   16   32 o  188.976   12.365  643.547   82.589   0.0000   0.0000  643.547   82.589  ?   ?   188.976   12.365      ?      ? 
1 1 1    8   16   34 o   49.701   21.028   12.067   63.719   0.0000   0.0000   12.067   63.719  ?   ?    49.701   21.028      ?      ? 
1 1 1    8   17    1 o  398.559   15.778  2799.01  211.195  2998.00  365.391  2699.18  258.806  408.229   25.324  388.888   18.829 19.34082 31.55696 
1 1 1    8   17    3 o  448.734   18.937  3636.15  300.073  3803.74  423.743  3467.57  424.996  459.346   26.100  438.123   27.445 21.22348 37.87431 
1 1 1    8   17    5 o   87.845   15.991  144.272   50.010  154.865   68.597  132.255   73.063   91.150   21.620   84.539   23.568 6.610390 31.98205 
1 1 1    8   17    7 o   46.980   11.110   34.063   21.782   22.106   28.241   51.623   34.224   40.194   14.922   53.766   16.463 -13.57175 22.21954 
1 1 1    8   17    9 o  157.175   14.308  425.222   76.308  506.729  131.525  383.866   93.688  167.838   22.172  146.512   18.092 21.32664 28.61653 
1 1 1    8   17   11 o  141.847   13.208  362.797   62.374  353.463  107.340  367.555   76.642  140.125   21.673  143.568   15.104 -3.443375 26.41693 
1 1 1    8   17   13 o  242.860   13.573  1058.27  109.957  1060.71  189.825  1057.03  134.893  242.440   22.153  243.280   15.688 -0.8398590 27.14508 
1 1 1    8   17   15 o  194.303   13.627  686.175   87.806  656.266  151.427  701.325  107.774  190.481   22.492  198.124   15.391 -7.643860 27.25385 
1 1 1    8   17   17 o  210.031   13.208  822.665   90.573  710.166  156.035  879.833  111.230  198.037   22.292  222.025   14.174 -23.98763 26.41692 
1 1 1    8   17   19 o   70.195   12.854   94.133   31.563   77.962   53.205  102.915   39.208   65.876   20.586   74.514   15.397 -8.637741 25.70717 
1 1 1    8   17   21 o  121.128   22.513  274.522   92.833   0.0000   0.0000  274.522   92.833  ?   ?   121.128   22.513      ?      ? 
1 1 1    8   17   23 o  204.239   13.314  754.869   90.688  750.281  156.177  757.203  111.391  203.013   21.766  205.465   15.339 -2.451782 26.62751 
1 1 1    8   17   25 o  213.430   14.356  830.474  102.379  823.035  175.389  834.320  126.091  211.685   23.442  215.175   16.579 -3.490082 28.71241 
1 1 1    8   17   27 o   61.519   17.326   70.489   39.277   0.0000   0.0000   70.489   39.277  ?   ?    61.519   17.326      ?      ? 
1 1 1    8   17   29 o  120.641   13.389  261.973   57.090   0.0000   0.0000  261.973   57.090  ?   ?   120.641   13.389      ?      ? 
1 1 1    8   17   31 o   75.334   16.171  107.492   41.771   0.0000   0.0000  107.492   41.771  ?   ?    75.334   16.171      ?      ? 
1 1 1    8   17   33 f   45.828   16.314   34.552   33.272   34.552   33.272   0.0000   0.0000   45.828   16.314  ?   ?       ?      ? 
1 1 1    8   17   35 o   49.586   13.495   37.043   31.482   42.585   36.781   21.858   60.883   49.179   17.185   49.994   20.812 -0.8143654 26.99008 
1 1 1    8   18    0 f  134.288   13.285  310.924   60.489  363.293  104.162  284.278   74.301  142.340   20.704  126.235   16.653 16.10533 26.57051 
1 1 1    8   18    2 o  447.536   15.508  3525.31  233.440  3839.29  403.943  3367.87  286.041  461.162   24.783  433.910   18.651 27.25171 31.01689 
1 1 1    8   18    4 o  650.452   22.719  7760.84  522.050  8025.55  737.642  7495.19  738.939  662.008   31.526  638.896   32.723 23.11237 45.43874 
1 1 1    8   18    6 o  184.594   13.297  599.971   82.567  644.145  142.437  577.615  101.328  189.275   21.292  179.913   15.935 9.361237 26.59422 
1 1 1    8   18    8 o  120.492   15.816  269.416   64.849  257.685   90.095  282.029   93.416  117.684   22.480  123.301   22.255 -5.616707 31.63241 
1 1 1    8   18   10 o   59.585   11.802   59.109   26.559   34.110   34.131   97.483   42.287   46.769   16.537   72.401   16.842 -25.63229 23.60374 
1 1 1    8   18   12 o   56.336   12.712   54.565   28.496   45.240   37.924   66.657   43.186   51.907   17.471   60.766   18.471 -8.859524 25.42457 
1 1 1    8   18   14 o  112.190   13.440  242.362   47.790  196.773   81.752  266.029   58.903  102.243   23.160  122.138   13.645 -19.89497 26.88049 
1 1 1    8   18   16 o  119.058   13.298  259.281   51.474  257.523   88.198  260.189   63.389  117.463   22.054  120.653   14.865 -3.190262 26.59572 
1 1 1    8   18   18 o  107.212   14.506  206.916   51.422  227.437   88.132  196.325   63.316  109.855   23.414  104.569   17.131 5.286087 29.01207 
1 1 1    8   18   20 o  112.161   13.087  237.319   47.515  209.035   79.496  253.040   59.267  105.374   22.053  118.948   14.097 -13.57403 26.17347 
1 1 1    8   18   22 o  107.202   24.909  219.370   92.580   0.0000   0.0000  219.370   92.580  ?   ?   107.202   24.909      ?      ? 
1 1 1    8   18   24 o  102.492   13.331  188.122   48.292   0.0000   0.0000  188.122   48.292  ?   ?   102.492   13.331      ?      ? 
1 1 1    8   18   26 o  257.567   23.043  1227.95  209.772   0.0000   0.0000  1227.95  209.772  ?   ?   257.567   23.043      ?      ? 
1 1 1    8   18   28 o  151.181   15.455  425.888   82.257  384.485  116.300  467.334  116.358  143.430   22.941  158.932   20.714 -15.50105 30.90920 
1 1 1    8   18   30 o  167.929   13.343  525.626   69.149  518.754  134.890  528.075   80.536  165.151   23.109  170.706   13.348 -5.554642 26.68686 
1 1 1    8   18   32 o  117.546   18.464  288.830   76.457  345.398  103.470  220.793  113.476  133.626   21.908  101.465   29.728 32.16073 36.92850 
1 1 1    8   18   34 o  120.737   18.580  313.480   76.444  324.365  101.162  298.991  116.715  125.223   23.725  116.252   28.602 8.970810 37.16092 
1 1 1    8   19    1 o  310.640   13.693  1685.61  143.472  1883.60  248.037  1586.07  175.881  323.387   21.701  297.893   16.705 25.49365 27.38555 
1 1 1    8   19    3 o  192.019   15.669  665.229  106.301  679.641  149.492  650.489  151.189  194.189   21.781  189.849   22.532 4.340042 31.33798 
1 1 1    8   19    5 o   53.707   11.988   49.490   24.632   56.703   41.408   45.539   30.643   56.867   18.210   50.547   15.595 6.319420 23.97552 
1 1 1    8   19    7 o  178.586   13.381  586.180   78.700  533.727  135.622  612.809   96.635  171.864   22.327  185.308   14.754 -13.44467 26.76146 
1 1 1    8   19    9 o  246.013   13.909  1096.12  113.690  1067.71  196.292  1110.46  139.464  242.823   22.871  249.204   15.834 -6.380356 27.81749 
1 1 1    8   19   11 o  188.071   13.324  642.792   83.146  615.563  143.294  656.613  102.090  184.454   21.980  191.689   15.068 -7.234528 26.64876 
1 1 1    8   19   13 o  259.142   16.592  1222.01  151.698  1297.22  213.775  1145.73  215.299  267.438   22.616  250.847   24.284 16.59122 33.18396 
1 1 1    8   19   15 o   43.562   11.129   14.182   17.030   6.5810   18.419   58.939   44.697   28.975   11.681   58.149   18.947 -29.17408 22.25858 
1 1 1    8   19   17 o   80.949   16.187  123.636   48.663  139.105   65.021  103.937   73.373   85.938   21.469   75.959   24.232 9.979836 32.37421 
1 1 1    8   19   19 o   68.605   19.586   87.355   49.840   0.0000   0.0000   87.355   49.840  ?   ?    68.605   19.586      ?      ? 
1 1 1    8   19   21 o  100.584   22.362  191.849   77.441   0.0000   0.0000  191.849   77.441  ?   ?   100.584   22.362      ?      ? 
1 1 1    8   19   23 o  171.164   15.461  538.005   93.460  514.519  132.158  561.502  132.187  167.282   22.352  175.046   21.366 -7.764832 30.92117 
1 1 1    8   19   25 o  110.562   13.594  240.537   48.224  186.154   79.896  271.704   60.484   98.262   23.350  122.863   13.928 -24.60091 27.18837 
1 1 1    8   19   27 o  127.616   14.373  307.629   59.934  299.078  100.776  312.308   74.552  124.278   23.809  130.953   16.107 -6.674217 28.74613 
1 1 1    8   19   29 o   77.762   14.238  116.206   38.517  123.078   63.140  112.133   48.609   79.250   21.841   76.274   18.272 2.976044 28.47573 
1 1 1    8   19   31 o  129.213   15.307  316.398   66.829  235.280   86.824  434.316  104.682  107.658   23.479  150.769   19.644 -43.11108 30.61337 
1 1 1    8   20    0 o   77.883   11.644  108.881   30.003  126.340   50.745   99.498   37.202   82.394   17.934   73.372   14.855 9.022118 23.28752 
1 1 1    8   20    2 o  142.172   14.302  374.471   67.466  260.151   94.019  495.824   96.868  117.892   23.389  166.452   16.465 -48.56058 28.60375 
1 1 1    8   20    4 o  122.197   13.830  275.785   54.589  263.876   93.720  281.900   67.157  118.776   23.157  125.617   15.126 -6.841072 27.65899 
1 1 1    8   20    6 o  153.822   13.111  440.999   65.929  380.479  113.303  471.979   81.065  145.008   22.107  162.635   14.103 -17.62704 26.22214 
1 1 1    8   20    8 o  350.791   15.243  2186.95  179.633  2350.60  310.583  2104.68  220.200  359.328   24.455  342.255   18.203 17.07333 30.48607 
1 1 1    8   20   10 o  178.732   13.140  561.304   79.559  621.398  135.963  530.013   98.109  185.448   20.743  172.016   16.137 13.43130 26.28094 
1 1 1    8   20   12 o  295.193   14.123  1556.52  147.351   0.0000   0.0000  1556.52  147.351  ?   ?   295.193   14.123      ?      ? 
1 1 1    8   20   14 o  108.049   16.460  209.499   62.861   0.0000   0.0000  209.499   62.861  ?   ?   108.049   16.460      ?      ? 
1 1 1    8   20   16 o   29.713   11.750   8.5894   18.276   0.0000   0.0000   8.5894   18.276  ?   ?    29.713   11.750      ?      ? 
1 1 1    8   20   18 o  200.255   22.105  732.231  156.454  732.231  156.454   0.0000   0.0000  200.255   22.105  ?   ?       ?      ? 
1 1 1    8   20   20 o  102.076   18.023  206.085   68.234  284.657   92.706  113.202  100.795  122.970   22.144   81.181   28.443 41.78870 36.04686 
1 1 1    8   20   24 o  202.536   14.008  767.489   93.955  713.847  160.668  795.364  115.823  195.570   23.244  209.502   15.642 -13.93250 28.01682 
1 1 1    8   20   26 o   59.606   12.241   67.401   27.186   58.483   43.401   73.159   34.875   57.046   18.674   62.167   15.830 -5.121243 24.48101 
1 1 1    8   20   28 o  125.029   15.376  291.722   64.043  343.452  108.426  264.004   79.368  131.419   24.236  118.639   18.928 12.78036 30.75102 
1 1 1    8   20   30 o  121.562   18.601  312.817   78.618  351.812  105.047  263.163  118.537  133.789   22.215  109.335   29.841 24.45462 37.20155 
1 1 1    8   21    1 o  333.995   14.729  1959.22  165.960  2200.92  286.996  1837.79  203.421  348.129   23.325  319.862   17.993 28.26709 29.45848 
1 1 1    8   21    3 o  215.268   13.814  820.898  100.096  881.258  172.343  790.173  122.961  220.557   22.108  209.979   16.568 10.57832 27.62741 
1 1 1    8   21    5 o  177.232   13.147  558.380   78.409  587.348  134.495  543.464   96.506  180.216   21.115  174.248   15.670 5.968170 26.29428 
1 1 1    8   21    7 o  291.052   15.442  1516.13  158.857   0.0000   0.0000  1516.13  158.857  ?   ?   291.052   15.442      ?      ? 
1 1 1    8   21    9 o  156.128   16.980  437.625   93.700   0.0000   0.0000  437.625   93.700  ?   ?   156.128   16.980      ?      ? 
1 1 1    8   21   11 o   85.812   21.711  138.803   65.899   0.0000   0.0000  138.803   65.899  ?   ?    85.812   21.711      ?      ? 
1 1 1    8   21   13 o  358.023   17.420  2352.58  220.295  2259.99  311.506  2445.22  311.581  350.706   25.131  365.340   24.130 -14.63443 34.83955 
1 1 1    8   21   15 o  150.604   14.083  401.411   72.143  448.836  122.293  376.098   89.345  156.811   22.065  144.397   17.506 12.41389 28.16613 
1 1 1    8   21   17 o  287.182   14.216  1530.46  134.691  1413.00  231.837  1590.31  165.483  277.092   23.672  297.273   15.750 -20.18036 28.43292 
1 1 1    8   21   19 o  125.463   14.370  286.053   59.996  313.074  100.498  271.091   74.785  128.595   22.953  122.331   17.297 6.264519 28.74063 
1 1 1    8   21   21 o  138.439   13.647  370.015   60.256  308.357  100.858  404.237   75.140  127.085   23.313  149.793   14.193 -22.70769 27.29345 
1 1 1    8   21   23 o   84.288   25.724  137.127   83.637   0.0000   0.0000  137.127   83.637  ?   ?    84.288   25.724      ?      ? 
1 1 1    8   21   25 o  143.839   15.188  390.980   74.329  310.947  100.773  486.474  110.077  126.078   23.478  161.601   19.272 -35.52361 30.37522 
1 1 1    8   21   27 o  110.747   14.705  249.141   52.814  203.186   88.434  274.618   65.846   99.541   25.132  121.954   15.276 -22.41352 29.41059 
1 1 1    8   21   29 o  121.890   14.143  318.436   53.218  214.452   88.830  376.654   66.466  100.823   25.041  142.956   13.155 -42.13252 28.28578 
1 1 1    8   22    0 o  110.775   10.604  218.884   40.105  221.967   66.043  217.082   50.477  111.221   16.800  110.330   12.944 0.8906555 21.20871 
1 1 1    8   22    2 o  170.989   22.507  531.111  136.020   0.0000   0.0000  531.111  136.020  ?   ?   170.989   22.507      ?      ? 
1 1 1    8   22    4 o  236.116   22.517  1013.33  187.917   0.0000   0.0000  1013.33  187.917  ?   ?   236.116   22.517      ?      ? 
1 1 1    8   22    6 o  136.673   21.442  339.053  103.579   0.0000   0.0000  339.053  103.579  ?   ?   136.673   21.442      ?      ? 
1 1 1    8   22    8 o  165.454   15.436  499.560   89.802  556.420  127.008  442.715  126.991  175.175   20.513  155.732   23.072 19.44325 30.87224 
1 1 1    8   22   10 o  339.550   15.094  2069.27  171.965  2188.99  296.867  2008.81  210.964  345.390   24.318  333.710   17.886 11.68042 30.18769 
1 1 1    8   22   12 o  140.350   13.714  348.678   65.330  387.323  111.167  328.290   80.744  145.727   21.583  134.973   16.926 10.75475 27.42820 
1 1 1    8   22   14 o  266.388   13.398  1311.05  118.156  1215.93  202.399  1360.22  145.527  257.621   22.228  275.155   14.964 -17.53403 26.79588 
1 1 1    8   22   16 o  248.050   13.002  1208.70  102.130  881.241  174.830  1378.33  125.833  218.714   22.616  277.386   12.835 -58.67154 26.00427 
1 1 1    8   22   18 o  104.013   14.216  205.335   48.782  190.238   81.702  213.697   60.811   99.327   23.618  108.699   15.829 -9.371971 28.43180 
1 1 1    8   22   20 o   96.614   14.013  177.265   45.230  167.121   75.275  182.997   56.584   92.848   23.046  100.380   15.949 -7.531372 28.02630 
1 1 1    8   22   22 o  247.087   16.435  1156.67  143.349  1094.25  202.727  1219.09  202.725  239.940   23.905  254.235   22.561 -14.29488 32.87000 
1 1 1    8   22   24 o   92.260   12.739  175.644   38.438  115.569   63.067  211.148   48.483   76.673   22.076  107.848   12.719 -31.17434 25.47816 
1 1 1    8   22   26 o   92.242   13.916  156.996   45.191   97.010   58.324  247.111   71.485   70.048   21.499  114.437   17.674 -44.38923 27.83121 
1 1 1    8   23    3 o  405.929   18.233  3037.92  261.329  3189.09  369.543  2886.70  369.607  416.468   25.105  395.389   26.448 21.07922 36.46605 
1 1 1    8   23    5 o  125.079   13.123  279.070   55.616  295.803   94.109  270.090   68.944  127.553   20.875  122.605   15.910 4.948769 26.24642 
1 1 1    8   23    7 o  144.162   14.111  370.143   69.076  403.166  116.957  352.452   85.601  148.534   22.278  139.791   17.325 8.743134 28.22205 
1 1 1    8   23    9 o   62.431   12.563   72.942   28.910   64.168   45.714   78.790   37.320   59.958   19.127   64.904   16.293 -4.945641 25.12569 
1 1 1    8   23   11 o  166.570   13.580  485.737   76.941  572.735  131.567  440.520   94.851  177.027   21.027  156.112   17.190 20.91469 27.15988 
1 1 1    8   23   13 f  299.977   14.377  1667.49  142.760  1580.47  245.844  1711.76  175.354  292.104   23.812  307.850   16.116 -15.74631 28.75326 
1 1 1    8   23   15 o   34.062   9.1249   14.457   15.072   19.441   22.634   10.486   20.202   36.569   13.397   31.555   12.393 5.013599 18.24989 
1 1 1    8   23   17 o  177.876   13.756  579.768   82.054  588.398  140.254  575.278  101.176  177.780   22.321  177.971   16.085 -0.1906281 27.51252 
1 1 1    8   23   19 o  204.760   13.998  805.310   93.593  695.587  160.288  862.071  115.288  191.725   23.654  217.796   14.977 -26.07118 27.99656 
1 1 1    8   23   21 o  144.849   14.348  412.219   66.237  354.829  111.745  443.306   82.242  133.999   24.497  155.698   14.945 -21.69957 28.69581 
1 1 1    8   23   23 o  112.337   23.222  253.503   89.156   0.0000   0.0000  253.503   89.156  ?   ?   112.337   23.222      ?      ? 
1 1 1    8   23   25 o   99.654   13.866  202.040   45.458  170.956   75.728  219.550   56.837   90.741   23.445  108.568   14.812 -17.82713 27.73162 
1 1 1    8   24    0 o   91.390   17.057  160.100   55.486  167.252   72.228  149.801   86.669   93.851   22.134   88.928   25.959 4.922440 34.11430 
1 1 1    8   24    2 o  248.487   17.120  1142.30  149.634  1246.66  209.527  1033.67  213.764  260.718   22.738  236.255   25.600 24.46300 34.23959 
1 1 1    8   24    4 o   99.623   13.264  188.244   43.539  166.013   71.974  201.074   54.678   93.426   22.136  105.820   14.619 -12.39359 26.52790 
1 1 1    8   24    6 o  232.462   14.055  977.699  109.542  1007.43  188.189  962.462  134.717  234.025   22.752  230.900   16.507 3.125580 28.10925 
1 1 1    8   24    8 o  133.169   13.453  338.486   57.298  291.712   96.641  363.842   71.154  124.044   22.886  142.295   14.148 -18.25098 26.90573 
1 1 1    8   24   10 f  144.147   13.707  374.148   66.827  398.753  113.583  361.122   82.644  147.080   21.849  141.214   16.558 5.865997 27.41479 
1 1 1    8   24   12 f   61.411   12.761   70.383   29.197   65.280   46.889   73.614   37.314   60.235   19.388   62.586   16.597 -2.350704 25.52168 
1 1 1    8   24   14 o   74.237   12.292  108.024   31.278   86.072   50.772  121.451   39.708   67.634   19.905   80.839   14.427 -13.20459 24.58319 
1 1 1    8   24   16 o  183.773   13.411  628.877   82.081  608.893  140.373  639.259  101.182  180.122   22.049  187.425   15.274 -7.303833 26.82298 
1 1 1    8   24   18 o  147.365   13.278  415.204   64.545  370.267  109.553  439.096   79.881  139.594   22.204  155.137   14.568 -15.54349 26.55688 
1 1 1    8   24   20 o   29.325   8.3800   7.2258   13.439   6.3030   19.393   8.0783   18.640   29.194   11.907   29.456   11.795 -0.2620201 16.76000 
1 1 1    8   24   22 o   85.472   13.714  148.676   40.463  117.851   66.048  167.196   51.196   76.200   22.771   94.743   15.289 -18.54311 27.42765 
1 1 1    8   25    1 o  148.208   13.213  439.088   60.136  310.411  101.189  509.353   74.774  127.804   23.258  168.611   12.547 -40.80627 26.42643 
1 1 1    8   25    3 o  249.341   15.967  1148.57  140.587  1082.47  196.389  1218.05  201.343  241.792   22.980  256.891   22.175 -15.09911 31.93479 
1 1 1    8   25    5 f  213.998   15.576  844.219  117.568  772.447  162.302  923.458  170.537  204.257   22.482  223.739   21.565 -19.48199 31.15254 
1 1 1    8   25    7 o  142.348   15.313  372.065   76.746  335.440  103.658  416.498  114.173  134.615   21.787  150.082   21.524 -15.46709 30.62555 
1 1 1    8   25    9 o  330.934   15.336  2032.26  169.054  2036.68  291.560  2030.02  207.495  328.478   25.113  333.389   17.609 -4.911072 30.67160 
1 1 1    8   25   11 o  215.013   13.992  864.804   99.808  824.365  171.184  885.631  122.850  209.405   23.129  220.622   15.755 -11.21629 27.98487 
1 1 1    8   25   13 o  188.503   13.773  687.217   84.533  580.162  144.369  743.072  104.279  174.844   23.361  202.161   14.594 -27.31685 27.54540 
1 1 1    8   25   15 o  125.298   13.938  296.989   57.157  301.128   96.840  294.776   70.806  123.927   22.954  126.670   15.815 -2.742554 27.87509 
1 1 1    8   25   17 o   30.652   8.7772   7.2330   14.769   12.089   22.037   3.2732   19.900   32.934   12.940   28.369   11.862 4.564329 17.55448 
1 1 1    8   25   19 o   46.649   10.123   40.320   19.728   16.615   30.166   58.034   26.077   38.175   15.095   55.124   13.493 -16.94870 20.24701 
1 1 1    8   25   21 o   59.690   13.183   67.089   30.391   84.088   48.575   56.155   38.957   64.970   19.554   54.410   17.687 10.56016 26.36621 
1 1 1    8   26    0 o   72.819   15.692   99.717   39.197   0.0000   0.0000   99.717   39.197  ?   ?    72.819   15.692      ?      ? 
1 1 1    8   26    2 o   68.910   14.266   88.028   36.314   98.505   58.072   81.301   46.534   72.110   21.306   65.710   18.976 6.400536 28.53144 
1 1 1    8   26    4 o  134.722   14.108  326.128   64.721  371.962  109.716  301.667   80.152  141.124   21.996  128.320   17.673 12.80396 28.21631 
1 1 1    8   26    6 o  136.058   13.260  371.062   55.834  273.365   93.958  424.396   69.421  118.715   23.225  153.402   12.804 -34.68637 26.52014 
1 1 1    8   26    8 o  116.347   15.434  256.153   61.965  219.756   83.763  300.147   92.091  105.973   23.022  126.721   20.561 -20.74755 30.86701 
1 1 1    8   26   10 o  172.184   14.165  559.190   82.817  380.375  113.803  760.489  120.746  141.241   22.797  203.126   16.818 -61.88487 28.32938 
1 1 1    8   26   12 o  186.400   15.109  662.341   98.624  555.119  136.731  778.625  142.392  169.732   22.792  203.068   19.839 -33.33513 30.21707 
1 1 1    8   26   14 o   48.599   11.414   40.973   22.646   51.482   35.615   33.841   29.341   52.742   16.888   44.456   15.359 8.285709 22.82801 
1 1 1    8   26   16 o  119.367   13.676  290.895   51.585  233.566   86.777  322.224   64.150  106.581   23.654  132.153   13.734 -25.57198 27.35164 
1 1 1    8   27    1 o  229.048   14.016  986.172  106.803  965.663  183.309  996.711  131.413  224.999   23.051  233.098   15.951 -8.099213 28.03141 
1 1 1    8   27    3 o  124.040   14.124  294.341   57.158  285.776   96.240  299.009   71.046  120.456   23.449  127.625   15.750 -7.168312 28.24728 
1 1 1    8   27    5 o   82.765   13.736  136.871   38.729  115.953   63.825  149.061   48.723   76.812   22.235   88.719   16.133 -11.90642 27.47125 
1 1 1    8   27    7 o  217.988   14.436  897.047  105.272  923.109  180.840  883.688  129.470  217.885   23.483  218.092   16.796 -0.2069092 28.87125 
1 1 1    8   27    9 o   71.422   13.577   98.436   34.332  108.652   55.343   92.045   43.773   74.105   20.458   68.738   17.856 5.366379 27.15469 
1 1 1    8   27   11 o   55.703   11.987   60.172   26.045   44.549   41.589   70.253   33.407   51.087   18.234   60.319   15.565 -9.231503 23.97424 
1 1 1    8   27   13 o  162.260   15.346  492.767   88.011   0.0000   0.0000  492.767   88.011  ?   ?   162.260   15.346      ?      ? 
1 1 1    8   28    0 o   42.104   10.724   28.274   20.252   30.455   30.726   26.599   26.929   43.447   15.655   40.760   14.659 2.686638 21.44716 
1 1 1    8   28    2 o   48.166   11.080   42.438   21.788   34.649   32.837   48.566   29.123   45.591   16.210   50.741   15.111 -5.149132 22.16101 
1 1 1    8   28    4 o   50.369   11.456   47.267   23.257   38.907   36.069   53.216   30.427   47.891   16.993   52.848   15.368 -4.957813 22.91158 
1 1 1    8   28    6 f  103.374   13.554  212.749   45.835  193.144   76.669  223.652   57.177   97.068   22.745  109.679   14.749 -12.61144 27.10857 
1 1 1    8   28    8 o   68.842   17.653   93.730   43.159   0.0000   0.0000   93.730   43.159  ?   ?    68.842   17.653      ?      ? 
1 1 1    9    0   21 o  555.232   20.399  5524.64  562.640  5524.64  562.640  5524.64  562.640  555.232   28.848  555.232   28.848 -0.000000 0.000000 
1 1 1    9    0   23 o  176.322   16.664  581.252  139.515  581.252  139.515  581.252  139.515  176.322   23.567  176.322   23.567 -0.000000 0.000000 
1 1 1    9    0   25 o   75.434   19.336  134.572   66.959  134.572   66.959  134.572   66.959   75.434   27.345   75.434   27.345 -0.000000 0.000000 
1 1 1    9    0   27 o  306.639   16.947  1709.88  256.096  1709.88  256.096  1709.88  256.096  306.639   23.966  306.639   23.966 -0.000000 0.000000 
1 1 1    9    0   29 o  370.341   17.685  2490.68  323.946  2490.68  323.946  2490.68  323.946  370.341   25.010  370.341   25.010 -0.000000 0.000000 
1 1 1    9    0   31 o  260.480   10.944  1218.94  141.336  1218.94  141.336  1218.94  141.336  260.480   15.477  260.480   15.477 -0.000000 0.000000 
1 1 1    9    0   33 o   44.681   15.484   52.558   41.039   52.558   41.039   52.558   41.039   44.681   21.898   44.681   21.898 -0.000000 0.000000 
1 1 1    9    0   35 o   22.366   9.2778   10.331   17.468   10.331   17.468   10.331   17.468   22.366   13.121   22.366   13.121 -0.000000 0.000000 
1 1 1    9    0   37 o  118.807   13.332  270.736   73.204  270.736   73.204  270.736   73.204  118.807   18.855  118.807   18.855 -0.000000 0.000000 
1 1 1    9    0   39 o   82.440   14.973  143.655   53.330  143.655   53.330  143.655   53.330   82.440   21.174   82.440   21.174 -0.000000 0.000000 
1 1 1    9    1    6 o  831.685   35.998 12325.54  1058.17 12325.54  1058.17   0.0000   0.0000  831.685   35.998  ?   ?       ?      ? 
1 1 1    9    1    8 o  1115.17   44.764 22233.39  1764.36 22233.39  1764.36   0.0000   0.0000  1115.17   44.764  ?   ?       ?      ? 
1 1 1    9    1   18 o  256.902   22.708  1172.04  206.186  1172.04  206.186   0.0000   0.0000  256.902   22.708  ?   ?       ?      ? 
1 1 1    9    1   20 o  188.855   15.832  635.876  105.341  582.588  149.843  687.948  148.123  180.956   23.428  196.754   21.300 -15.79788 31.66354 
1 1 1    9    1   22 o  220.672   15.755  868.454  122.858  850.011  173.971  886.802  173.524  218.311   22.547  223.033   22.013 -4.722168 31.51026 
1 1 1    9    1   24 o   63.715   13.860   71.282   34.866   52.081   48.824   91.262   49.805   57.007   19.806   70.422   19.394 -13.41454 27.71976 
1 1 1    9    1   26 o  179.321   15.429  577.743   97.789  574.558  137.697  580.984  138.902  178.827   21.786  179.815   21.856 -0.9876556 30.85901 
1 1 1    9    1   28 o  195.120   15.459  686.455  106.596  669.319  150.101  703.890  151.406  192.631   22.046  197.609   21.678 -4.978424 30.91875 
1 1 1    9    1   30 o  143.836   16.706  382.950   82.462  417.076  114.436  346.090  118.932  151.956   21.307  135.717   25.736 16.23959 33.41137 
1 1 1    9    1   32 o  383.939   18.448  2703.97  249.850  2873.16  351.828  2531.83  354.874  396.575   25.101  371.302   27.041 25.27304 36.89539 
1 1 1    9    1   34 o   76.415   16.232  109.402   47.628  124.671   61.573   86.655   75.151   81.362   21.199   71.468   24.587 9.893486 32.46366 
1 1 1    9    1   36 o  114.044   22.468  245.937   87.344  245.937   87.344   0.0000   0.0000  114.044   22.468  ?   ?       ?      ? 
1 1 1    9    1   38 o   39.118   14.433   21.955   26.338   21.955   26.338   0.0000   0.0000   39.118   14.433  ?   ?       ?      ? 
1 1 1    9    1   40 f   87.831   17.268  154.008   55.682  170.796   72.246  129.444   87.392   93.603   22.178   82.059   26.474 11.54362 34.53587 
1 1 1    9    2    5 o  1211.05   47.979 26317.11  2053.69 26317.11  2053.69   0.0000   0.0000  1211.05   47.979  ?   ?       ?      ? 
1 1 1    9    2    7 o  632.707   21.559  7093.97  482.121  7093.97  482.121   0.0000   0.0000  632.707   21.559  ?   ?       ?      ? 
1 1 1    9    2    9 o  1418.05   38.671 35834.51  1938.18 35834.51  1938.18   0.0000   0.0000  1418.05   38.671  ?   ?       ?      ? 
1 1 1    9    2   11 o  642.358   30.667  7330.78  696.249  7330.78  696.249   0.0000   0.0000  642.358   30.667  ?   ?       ?      ? 
1 1 1    9    2   13 o  571.044   28.828  5792.13  581.833  5792.13  581.833   0.0000   0.0000  571.044   28.828  ?   ?       ?      ? 
1 1 1    9    2   15 o  903.216   27.029 14570.76  862.347 13994.86  1219.54 15146.66  1219.54  885.176   38.980  921.256   37.454 -36.07990 54.05801 
1 1 1    9    2   17 o  227.662   15.495  917.795  124.679  917.795  124.679   0.0000   0.0000  227.662   15.495  ?   ?       ?      ? 
1 1 1    9    2   19 o  978.734   25.140 17209.97  817.947 17316.10  1001.73 16997.67  1416.85  985.530   28.758  971.939   41.244 13.59113 50.28059 
1 1 1    9    2   21 o  637.611   30.785  7288.76  693.759  7288.76  693.759   0.0000   0.0000  637.611   30.785  ?   ?       ?      ? 
1 1 1    9    2   23 o  207.861   13.189  769.909   91.259  770.309  111.718  769.109  158.208  208.223   15.180  207.498   21.572 0.7245178 26.37791 
1 1 1    9    2   25 o  276.940   15.200  1472.45  133.999  1643.54  164.044  1129.38  232.294  303.829   15.276  250.051   26.284 53.77856 30.40064 
1 1 1    9    2   27 o  151.997   12.512  391.790   63.288  353.908   75.993  477.536  114.332  140.870   15.263  163.125   19.830 -22.25584 25.02382 
1 1 1    9    2   29 o  162.593   13.184  480.781   69.004  489.994   82.594  459.490  125.564  165.755   14.098  159.432   22.283 6.323959 26.36820 
1 1 1    9    2   31 o   65.567   16.805   79.989   39.123   79.989   39.123   0.0000   0.0000   65.567   16.805  ?   ?       ?      ? 
1 1 1    9    2   33 o  292.835   14.798  1557.00  142.353  1563.23  172.490  1543.70  252.077  295.107   16.537  290.563   24.545 4.543213 29.59670 
1 1 1    9    2   35 o  193.571   15.380  672.876  105.222  672.876  105.222   0.0000   0.0000  193.571   15.380  ?   ?       ?      ? 
1 1 1    9    2   37 o   62.184   13.834   78.764   32.831   95.537   35.194 -33.6866   91.126   71.672   14.393   52.696   23.629 18.97578 27.66765 
1 1 1    9    2   39 o   30.483   8.1379   12.185   11.970   13.233   16.274   10.951   17.668   30.661   11.339   30.305   11.676 0.3556423 16.27580 
1 1 1    9    2   41 o  153.591   22.094  450.270  119.940  450.270  119.940   0.0000   0.0000  153.591   22.094  ?   ?       ?      ? 
1 1 1    9    3    0 o  641.834   30.708  7338.44  696.620  7338.44  696.620   0.0000   0.0000  641.834   30.708  ?   ?       ?      ? 
1 1 1    9    3    2 o  717.684   32.761  9177.14  831.014  9177.14  831.014   0.0000   0.0000  717.684   32.761  ?   ?       ?      ? 
1 1 1    9    3    4 o  370.248   24.369  2432.25  318.901  2432.25  318.901   0.0000   0.0000  370.248   24.369  ?   ?       ?      ? 
1 1 1    9    3    6 o  288.451   16.248  1475.23  165.624  1445.27  234.282  1505.16  234.172  285.513   23.216  291.388   22.738 -5.874420 32.49599 
1 1 1    9    3    8 o  992.879   24.487 17346.06  814.172 16947.93  997.113 18142.49  1410.30  976.993   28.876  1008.77   39.555 -31.77185 48.97351 
1 1 1    9    3   10 o  288.695   12.494  1412.46  122.182  1271.73  149.599  1694.42  211.746  268.070   15.789  309.320   19.368 -41.25000 24.98841 
1 1 1    9    3   12 o  1010.62   24.155 17654.34  823.445 16533.70  1008.44 19896.59  1426.45  964.748   29.574  1056.50   38.200 -91.75000 48.31062 
1 1 1    9    3   14 o  255.843   22.458  1160.70  203.083  1160.70  203.083   0.0000   0.0000  255.843   22.458  ?   ?       ?      ? 
1 1 1    9    3   16 o  278.076   16.645  1369.53  163.599  1369.53  163.599   0.0000   0.0000  278.076   16.645  ?   ?       ?      ? 
1 1 1    9    3   18 o  770.746   21.127 10622.50  541.475 10686.76  663.154 10493.96  937.906  775.408   24.197  766.083   34.639 9.325317 42.25340 
1 1 1    9    3   20 o  414.052   13.935  2899.96  195.298  2579.32  238.620  3550.53  339.897  381.246   17.708  446.858   21.521 -65.61234 27.86988 
1 1 1    9    3   22 o  416.845   13.896  2933.52  196.236  2573.43  239.767  3664.13  341.527  380.397   17.833  453.294   21.317 -72.89703 27.79278 
1 1 1    9    3   24 o  192.043   12.916  659.134   81.659  661.078   99.015  654.998  144.390  192.824   14.528  191.262   21.359 1.561203 25.83206 
1 1 1    9    3   26 o  396.160   14.527  2739.80  193.420  2581.73  236.186  3061.68  337.028  380.084   17.581  412.236   23.131 -32.15146 29.05453 
1 1 1    9    3   28 o  290.912   11.209  1511.88  115.209  1457.70  162.020  1567.30  163.856  285.600   16.051  296.223   15.650 -10.62317 22.41769 
1 1 1    9    3   30 o   39.844   10.859   16.152   22.656   31.880   30.416  -3.4509   33.956   44.737   15.627   34.951   15.081 9.786194 21.71761 
1 1 1    9    3   32 o   70.864   15.617   93.363   38.061   93.363   38.061   0.0000   0.0000   70.864   15.617  ?   ?       ?      ? 
1 1 1    9    3   34 o   89.277   15.823  133.525   40.876  123.646   45.083  179.174   96.913   81.588   16.205   96.966   27.183 -15.37788 31.64663 
1 1 1    9    3   36 o  259.310   11.263  1211.65  102.410  1020.52  142.136  1417.99  147.684  237.721   16.917  280.899   14.875 -43.17754 22.52654 
1 1 1    9    3   38 o  123.159   12.160  275.887   52.545  276.039   70.260  275.693   79.150  123.411   16.108  122.906   18.220 0.5051575 24.31957 
1 1 1    9    3   40 o   41.495   15.091   26.244   28.648   26.244   28.648   0.0000   0.0000   41.495   15.091  ?   ?       ?      ? 
1 1 1    9    4    1 o  576.844   20.537  5921.17  418.157  5571.97  591.357  6270.39  591.369  559.716   29.892  593.972   28.169 -34.25629 41.07378 
1 1 1    9    4    3 o  806.110   24.999 11595.93  710.556 10675.71  1004.86 12516.20  1004.89  773.811   36.741  838.409   33.911 -64.59772 49.99878 
1 1 1    9    4    5 o  592.042   20.758  6226.31  434.377  6243.19  614.374  6209.43  614.231  592.848   29.320  591.235   29.393 1.612915 41.51698 
1 1 1    9    4    7 o  536.261   19.839  5107.43  375.721  4875.70  531.391  5339.09  531.308  524.037   28.690  548.485   27.407 -24.44861 39.67703 
1 1 1    9    4    9 o  1349.72   37.169 32705.29  1772.05 31398.04  2506.05 34012.53  2506.05  1322.31   53.621  1377.12   51.487 -54.80554 74.33791 
1 1 1    9    4   11 o  764.845   23.978 10413.93  647.579 10938.63  915.956  9889.56  915.674  784.248   33.045  745.442   34.754 38.80542 47.95621 
1 1 1    9    4   13 o  723.006   20.321  9264.42  490.016  9216.49  600.088  9360.33  848.889  720.849   23.553  725.162   33.120 -4.312683 40.64131 
1 1 1    9    4   15 o  365.032   24.272  2365.46  313.160  2365.46  313.160   0.0000   0.0000  365.032   24.272  ?   ?       ?      ? 
1 1 1    9    4   17 o   83.486   16.105  134.234   47.825  153.202   57.154   89.934   87.343   91.346   18.340   75.626   26.478 15.71921 32.20937 
1 1 1    9    4   19 o  131.781   17.349  389.335   70.201  498.840   85.131  156.632  124.100  167.801   14.354   95.761   31.589 72.03970 34.69720 
1 1 1    9    4   21 o  265.043   12.376  1214.50  110.027  1147.11  134.081  1353.44  192.522  254.282   14.919  275.805   19.750 -21.52255 24.75108 
1 1 1    9    4   23 o  163.667   9.3670  475.198   54.133  446.509   75.535  505.491   77.619  158.579   13.477  168.755   13.013 -10.17587 18.73407 
1 1 1    9    4   25 o  180.145   10.072  584.254   62.255  417.284   86.551  763.244   89.612  152.998   16.005  207.293   12.231 -54.29453 20.14377 
1 1 1    9    4   27 o   76.014   11.167   71.290   25.479   46.473   28.147  183.898   59.957   50.602   14.800  101.426   16.725 -50.82368 22.33320 
1 1 1    9    4   29 o  257.143   10.976  1181.61   99.617  1098.22  139.396  1268.65  142.411  247.798   15.916  266.487   15.120 -18.68912 21.95286 
1 1 1    9    4   31 o  313.862   14.531  1781.16  149.945  1784.17  181.678  1774.72  265.552  315.546   16.290  312.178   24.067 3.367950 29.06199 
1 1 1    9    4   33 o   67.202   13.144   84.301   32.603   68.853   47.335   98.245   44.972   61.943   19.427   72.461   17.710 -10.51793 26.28801 
1 1 1    9    4   35 o  194.693   18.339  740.809  106.641  781.383  126.020  638.467  200.142  208.122   17.132  181.263   32.430 26.85892 36.67738 
1 1 1    9    4   37 o  157.432   13.772  436.337   73.515  398.081   90.319  511.435  126.545  148.135   17.250  166.728   21.474 -18.59233 27.54492 
1 1 1    9    4   39 o   93.729   18.288  148.909   54.785  125.477   62.187  230.137  115.783   80.641   21.446  106.816   29.630 -26.17522 36.57674 
1 1 1    9    4   41 o   34.021   13.046   14.743   21.985   14.743   21.985   0.0000   0.0000   34.021   13.046  ?   ?       ?      ? 
1 1 1    9    5    0 o  453.130   19.491  3690.89  306.480  2889.55  433.529  4491.48  433.328  403.118   30.427  503.143   24.367 -100.0245 38.98189 
1 1 1    9    5    2 o  477.361   17.094  4145.05  268.016  3752.73  464.363  4341.02  328.200  459.644   28.584  495.078   18.756 -35.43387 34.18792 
1 1 1    9    5    4 o  717.644   22.579  9128.57  572.705   0.0000   0.0000  9128.57  572.705  ?   ?   717.644   22.579      ?      ? 
1 1 1    9    5    6 o  550.477   19.995  5379.78  388.970  5483.93  550.202  5275.71  549.972  555.828   28.007  545.127   28.545 10.70093 39.98952 
1 1 1    9    5    8 o  417.699   17.866  3096.05  263.528  3245.95  372.798  2946.33  372.573  427.846   24.653  407.552   25.865 20.29376 35.73157 
1 1 1    9    5   10 o  487.376   19.027  4226.78  326.405  3786.19  461.540  4667.62  461.673  461.792   28.278  512.961   25.464 -51.16818 38.05323 
1 1 1    9    5   12 o  898.108   26.875 14389.22  852.944 14093.74  1206.22 14684.73  1206.27  888.799   38.397  907.417   37.611 -18.61768 53.74917 
1 1 1    9    5   14 o  113.275   16.594  235.042   65.293  274.981   90.602  191.887   94.180  124.544   20.582  102.006   26.035 22.53754 33.18798 
1 1 1    9    5   16 o  1078.31   30.460 20897.87  1160.16 20045.20  1640.16 21751.70  1641.26  1055.93   43.947  1100.69   42.188 -44.76343 60.91961 
1 1 1    9    5   18 o  509.336   13.727  4309.79  237.215  3620.23  289.921  5706.38  412.601  451.775   18.157  566.898   20.592 -115.1237 27.45380 
1 1 1    9    5   20 o  348.367   11.462  2154.31  141.078  2213.90  199.037  2094.15  199.996  353.233   15.942  343.500   16.473 9.732513 22.92423 
1 1 1    9    5   22 o  233.190   12.053  895.950   94.694  746.065  114.628  1218.06  168.040  204.862   15.831  261.518   18.180 -56.65517 24.10665 
1 1 1    9    5   24 o  306.391   10.824  1689.54  114.936  1302.69  161.622  2085.35  163.482  270.267   16.920  342.515   13.504 -72.24802 21.64797 
1 1 1    9    5   26 o  177.223   10.962  559.884   68.627  535.834   95.782  585.255   98.377  173.301   15.637  181.146   15.365 -7.845352 21.92303 
1 1 1    9    5   28 o  326.924   17.248  1941.13  199.201  1978.31  279.143  1902.55  284.353  330.285   23.912  323.563   24.864 6.721710 34.49682 
1 1 1    9    5   30 o  103.790   16.127  202.329   57.419  198.127   78.267  207.226   84.495  102.714   22.206  104.867   23.392 -2.152092 32.25332 
1 1 1    9    5   32 o  107.912   16.263  202.113   57.864  160.509   70.607  287.198  100.974   92.269   21.967  123.555   23.987 -31.28647 32.52561 
1 1 1    9    5   34 o  178.072   11.091  565.577   69.252  473.561   94.094  674.326  102.293  162.244   16.409  193.900   14.926 -31.65663 22.18183 
1 1 1    9    5   36 o  156.171   13.618  461.844   71.429  373.445  113.381  520.016   91.976  142.431   22.522  169.910   15.316 -27.47931 27.23655 
1 1 1    9    5   38 o  148.737   15.786  417.987   80.363  477.295  113.705  358.793  113.596  160.960   19.987  136.515   24.441 24.44472 31.57239 
1 1 1    9    5   40 o   68.586   20.272   90.191   52.564   90.191   52.564   0.0000   0.0000   68.586   20.272  ?   ?       ?      ? 
1 1 1    9    5   42 o   85.914   22.234  150.245   68.037  150.245   68.037   0.0000   0.0000   85.914   22.234  ?   ?       ?      ? 
1 1 1    9    6    1 o  518.405   17.741  4933.13  300.394  4312.89  520.425  5243.03  367.862  492.713   29.884  544.097   19.129 -51.38370 35.48220 
1 1 1    9    6    3 o  1493.52   39.187 42678.99  1871.69 33496.76  3241.92 47269.89  2292.33  1358.99   67.494  1628.04   39.837 -269.0513 78.37384 
1 1 1    9    6    5 o  1221.53   32.867 28040.02  1296.79 23105.26  2246.23 30507.02  1588.20  1133.49   56.068  1309.56   34.313 -176.0725 65.73424 
1 1 1    9    6    7 o  622.699   18.796  6886.61  389.651  6858.86  675.168  6900.47  477.127  621.341   30.744  624.056   21.632 -2.715149 37.59160 
1 1 1    9    6    9 o  607.764   29.782  6561.63  639.744  6561.63  639.744   0.0000   0.0000  607.764   29.782  ?   ?       ?      ? 
1 1 1    9    6   11 o  539.179   19.808  5215.55  371.643  4166.66  525.343  6266.35  525.823  484.090   30.704  594.268   25.034 -110.1776 39.61644 
1 1 1    9    6   13 o  1018.35   29.550 18565.26  1063.32 18077.05  1503.73 19053.52  1503.80  1004.79   42.343  1031.92   41.231 -27.12897 59.10081 
1 1 1    9    6   15 o  394.428   24.975  2764.20  348.173  2764.20  348.173   0.0000   0.0000  394.428   24.975  ?   ?       ?      ? 
1 1 1    9    6   17 o  871.342   37.396 13618.42  1151.69 13618.42  1151.69   0.0000   0.0000  871.342   37.396  ?   ?       ?      ? 
1 1 1    9    6   19 o  623.667   30.399  6967.67  670.089  6967.67  670.089   0.0000   0.0000  623.667   30.399  ?   ?       ?      ? 
1 1 1    9    6   21 o  423.195   15.316  3243.65  214.525  3062.22  370.385  3335.25  263.161  413.363   25.351  433.026   17.194 -19.66327 30.63232 
1 1 1    9    6   23 o  336.946   23.964  2041.32  285.387  2041.32  285.387   0.0000   0.0000  336.946   23.964  ?   ?       ?      ? 
1 1 1    9    6   25 o  250.717   15.690  1130.34  138.880  1058.40  193.650  1206.53  199.284  242.425   22.601  259.009   21.769 -16.58421 31.37947 
1 1 1    9    6   27 o  159.833   14.038  455.188   77.557  336.758  104.501  600.409  115.719  136.634   21.639  183.031   17.888 -46.39673 28.07541 
1 1 1    9    6   29 o  353.577   14.510  2377.15  165.946  1921.86  284.375  2612.25  204.346  324.853   24.768  382.301   15.123 -57.44769 29.01972 
1 1 1    9    6   31 o   98.433   22.072  182.375   74.894  182.375   74.894   0.0000   0.0000   98.433   22.072  ?   ?       ?      ? 
1 1 1    9    6   33 o  109.081   19.240  240.973   75.209  294.740   95.761  154.418  121.499  125.425   22.424   92.737   31.271 32.68810 38.48048 
1 1 1    9    6   35 o  234.618   22.592  1010.44  187.344  1010.44  187.344   0.0000   0.0000  234.618   22.592  ?   ?       ?      ? 
1 1 1    9    6   37 o   32.515   8.9430   11.900   14.780   13.655   20.457   9.9828   21.378   33.031   12.604   31.998   12.690 1.033199 17.88596 
1 1 1    9    6   39 f   80.916   21.467  127.162   62.407  127.162   62.407   0.0000   0.0000   80.916   21.467  ?   ?       ?      ? 
1 1 1    9    6   41 o  102.649   20.449  225.833   72.765  231.161   84.784  210.935  141.777  107.155   23.069   98.144   33.770 9.011780 40.89715 
1 1 1    9    7    0 o  913.304   38.427 14865.23  1240.42   0.0000   0.0000 14865.23  1240.42  ?   ?   913.304   38.427      ?      ? 
1 1 1    9    7    2 o  1398.54   33.979 35389.07  1573.16 33908.75  2725.07 36129.00  1926.63  1373.10   56.151  1423.98   38.280 -50.88257 67.95788 
1 1 1    9    7    4 o  909.901   22.099 14758.98  668.651 14568.48  1158.43 14854.16  818.823  904.633   36.231  915.169   25.314 -10.53662 44.19828 
1 1 1    9    7    6 o  415.279   15.580  3148.76  211.916  2800.20  367.205  3322.82  259.488  397.291   26.150  433.266   16.945 -35.97528 31.16053 
1 1 1    9    7    8 o  873.459   23.829 13691.40  690.079 13228.98  1195.58 13922.42  845.054  861.251   39.276  885.667   26.996 -24.41626 47.65896 
1 1 1    9    7   10 o  917.579   38.612 15025.55  1252.23 15025.55  1252.23   0.0000   0.0000  917.579   38.612  ?   ?       ?      ? 
1 1 1    9    7   12 o  962.508   23.428 15965.99  761.603 18316.74  1319.56 14791.75  932.619  1012.97   36.856  912.047   28.931 100.9224 46.85518 
1 1 1    9    7   14 o  661.724   31.269  7803.72  731.326  7803.72  731.326   0.0000   0.0000  661.724   31.269  ?   ?       ?      ? 
1 1 1    9    7   18 o  556.835   20.188  5543.25  397.305  5475.83  560.854  5611.17  562.900  553.409   28.674  560.262   28.426 -6.853210 40.37617 
1 1 1    9    7   20 o  404.853   17.650  2934.16  252.476  2834.22  355.669  3035.67  358.456  397.834   25.294  411.871   24.624 -14.03745 35.30066 
1 1 1    9    7   22 o  410.839   17.371  3038.02  251.646  2787.56  354.316  3292.95  357.466  393.469   25.478  428.209   23.619 -34.74094 34.74139 
1 1 1    9    7   24 o  121.119   13.113  288.404   49.702  204.332   82.205  336.844   62.399  104.584   22.876  137.653   12.825 -33.06893 26.22566 
1 1 1    9    7   26 o  157.880   16.032  452.657   88.763  513.794  125.095  390.664  125.969  168.925   20.952  146.835   24.272 22.08954 32.06459 
1 1 1    9    7   28 o   44.077   11.703   22.698   26.061   42.225   35.289  -0.7303   38.653   50.127   16.853   38.026   16.243 12.10075 23.40631 
1 1 1    9    7   30 o  154.446   21.502  431.935  117.375  431.935  117.375   0.0000   0.0000  154.446   21.502  ?   ?       ?      ? 
1 1 1    9    7   32 o  153.388   19.175  456.441   98.405  536.891  131.489  354.015  148.365  171.836   21.650  134.941   31.654 36.89458 38.34980 
1 1 1    9    7   34 o  106.036   16.232  213.227   58.964  208.692   80.638  218.438   86.440  104.932   22.423  107.139   23.476 -2.206871 32.46369 
1 1 1    9    7   36 o   45.570   21.105 -61.5728   80.621   0.0000   0.0000 -61.5728   80.621  ?   ?    45.570   21.105      ?      ? 
1 1 1    9    8    1 o  655.082   22.026  7628.16  509.655  7319.32  720.881  7936.78  720.641  641.748   31.782  668.417   30.504 -26.66937 44.05175 
1 1 1    9    8    3 o  1287.44   35.712 29716.69  1624.82 29157.91  2297.94 30275.39  2297.75  1275.16   50.986  1299.71   50.019 -24.55957 71.42490 
1 1 1    9    8    5 o  242.938   14.571  1059.08  122.382  1320.73  173.906  802.384  172.253  273.119   18.015  212.758   22.907 60.36165 29.14219 
1 1 1    9    8    7 o  284.158   12.607  1376.67  121.100  1609.16  210.110  1261.02  148.190  301.393   19.724  266.922   15.708 34.47052 25.21440 
1 1 1    9    8    9 o  794.140   24.385 11346.13  673.941 13615.14  953.406  9080.07  952.786  874.924   30.831  713.356   37.789 161.5681 48.77069 
1 1 1    9    8   11 o  217.719   9.7267  759.523   71.197  1187.15  124.348  550.962   86.840  259.000   13.584  176.438   13.925 82.56207 19.45341 
1 1 1    9    8   13 o  808.948   20.447 11267.37  558.716 12937.69  968.041 10433.03  684.174  851.716   32.157  766.180   25.265 85.53638 40.89496 
1 1 1    9    8   15 o  522.606   16.349  4689.61  288.757  5409.02  500.077  4329.76  353.677  551.312   25.664  493.901   20.260 57.41016 32.69718 
1 1 1    9    8   17 o  104.188   25.308  201.268   92.273   0.0000   0.0000  201.268   92.273  ?   ?   104.188   25.308      ?      ? 
1 1 1    9    8   19 o  452.748   17.541  3679.92  278.872  3186.14  392.640  4182.57  396.153  421.638   26.347  483.857   23.165 -62.21909 35.08240 
1 1 1    9    8   21 f  391.552   17.523  2756.30  242.457  2679.13  341.212  2835.01  344.584  385.954   25.013  397.150   24.548 -11.19647 35.04675 
1 1 1    9    8   23 o  348.915   16.996  2194.84  209.555  2132.50  294.412  2258.86  298.337  343.839   24.226  353.991   23.845 -10.15219 33.99228 
1 1 1    9    8   25 o  270.639   13.955  1297.79  127.092  1373.80  218.344  1258.84  156.297  275.927   22.389  265.352   16.665 10.57440 27.91019 
1 1 1    9    8   27 o  177.574   12.966  594.742   75.452  480.720  126.341  657.956   94.071  163.072   21.920  192.076   13.857 -29.00417 25.93273 
1 1 1    9    8   29 o   96.182   25.891  175.000   89.967   0.0000   0.0000  175.000   89.967  ?   ?    96.182   25.891      ?      ? 
1 1 1    9    8   31 o  329.929   24.371  1991.59  284.193   0.0000   0.0000  1991.59  284.193  ?   ?   329.929   24.371      ?      ? 
1 1 1    9    8   35 o  126.508   24.132  305.374  103.963   0.0000   0.0000  305.374  103.963  ?   ?   126.508   24.132      ?      ? 
1 1 1    9    8   37 o   30.089   11.833   9.4723   18.439   9.4723   18.439   0.0000   0.0000   30.089   11.833  ?   ?       ?      ? 
1 1 1    9    8   39 o   42.955   15.509   28.966   30.178   28.966   30.178   0.0000   0.0000   42.955   15.509  ?   ?       ?      ? 
1 1 1    9    8   41 o   98.777   19.893  234.010   80.767  298.534   96.503   83.126  147.571  121.012   23.409   76.542   32.171 44.47006 39.78654 
1 1 1    9    9    0 o  210.913   15.885  794.391  117.079  658.277  165.667  930.201  165.483  192.674   24.327  229.152   20.432 -36.47806 31.76915 
1 1 1    9    9    2 o  554.936   20.321  5563.03  388.084  4112.06  548.647  7015.98  549.020  480.910   32.278  628.962   24.697 -148.0525 40.64264 
1 1 1    9    9    4 o  194.933   15.561  678.318  106.026  794.662  150.051  562.308  149.835  211.795   20.045  178.071   23.807 33.72359 31.12170 
1 1 1    9    9    6 o  742.413   23.642  9814.97  620.060 10173.92  876.947  9456.10  876.846  756.091   32.816  728.735   34.043 27.35541 47.28440 
1 1 1    9    9    8 o  1027.98   29.787 18973.82  1076.35 21229.85  1522.30 16718.42  1522.09  1090.06   39.512  965.898   44.585 124.1658 59.57346 
1 1 1    9    9   10 o  505.274   14.571  4328.84  249.452  5219.02  432.282  3884.43  305.438  542.346   22.551  468.202   18.457 74.14420 29.14161 
1 1 1    9    9   12 o  355.277   15.318  2199.38  182.806  2370.95  316.802  2113.74  223.830  365.254   24.540  345.301   18.340 19.95340 30.63602 
1 1 1    9    9   14 o  490.849   15.674  4085.92  260.834  4969.97  451.776  3643.89  319.456  528.607   24.181  453.090   19.948 75.51678 31.34716 
1 1 1    9    9   16 o  337.461   14.773  2018.77  166.694  2045.41  287.495  2005.28  204.596  338.791   24.009  336.130   17.221 2.661407 29.54693 
1 1 1    9    9   18 o  195.393   16.899  678.648  116.706   0.0000   0.0000  678.648  116.706  ?   ?   195.393   16.899      ?      ? 
1 1 1    9    9   20 o  202.885   16.368  741.227  116.894  798.148  162.964  680.902  167.766  211.104   21.841  194.666   24.383 16.43861 32.73513 
1 1 1    9    9   22 o  103.994   16.592  201.633   59.132  197.782   78.497  206.686   89.912  102.995   22.216  104.993   24.651 -1.998596 33.18447 
1 1 1    9    9   24 o  243.167   23.185  1068.22  199.263   0.0000   0.0000  1068.22  199.263  ?   ?   243.167   23.185      ?      ? 
1 1 1    9    9   26 o   75.183   24.251  100.356   73.332   0.0000   0.0000  100.356   73.332  ?   ?    75.183   24.251      ?      ? 
1 1 1    9    9   28 o  142.113   22.351  366.154  112.267   0.0000   0.0000  366.154  112.267  ?   ?   142.113   22.351      ?      ? 
1 1 1    9    9   30 o  115.976   22.403  252.171   88.507  252.171   88.507   0.0000   0.0000  115.976   22.403  ?   ?       ?      ? 
1 1 1    9    9   32 o   60.316   13.279   50.254   28.409   33.132   32.563  104.827   58.133   45.783   16.156   74.850   21.078 -29.06771 26.55757 
1 1 1    9    9   34 o  228.369   12.745  928.032   99.316  1015.17  166.365  879.780  123.795  235.873   19.956  220.866   15.858 15.00693 25.48935 
1 1 1    9    9   36 o  106.037   13.079  196.030   46.614  266.536   78.674  157.890   57.864  120.691   18.443   91.382   18.549 29.30976 26.15754 
1 1 1    9    9   38 o   49.492   14.332   28.302   33.798   42.179   35.923 -78.7280   99.763   49.597   17.002   49.387   23.076 0.2099190 28.66329 
1 1 1    9    9   40 o   48.484   16.952   40.523   35.795   40.523   35.795   0.0000   0.0000   48.484   16.952  ?   ?       ?      ? 
1 1 1    9   10    1 o  778.103   24.269 10800.98  665.328 11786.81  941.075  9815.81  940.758  813.937   32.712  742.270   35.859 71.66669 48.53825 
1 1 1    9   10    3 o  626.964   21.457  6991.97  475.176  7278.45  671.987  6705.47  672.014  639.893   29.712  614.036   30.965 25.85706 42.91399 
1 1 1    9   10    5 o  681.087   22.536  8272.20  540.843  9015.37  764.889  7529.11  764.845  711.957   30.397  650.217   33.281 61.74017 45.07294 
1 1 1    9   10    7 o  715.237   23.328  9143.42  586.954 10153.75  830.063  8133.00  830.095  755.205   31.098  675.269   34.780 79.93646 46.65524 
1 1 1    9   10    9 o   42.657   11.240   21.598   22.733   11.222   29.630   36.445   35.443   37.057   14.860   48.256   16.869 -11.19907 22.48020 
1 1 1    9   10   11 o  526.489   19.964  4942.52  370.856  5270.64  524.128  4613.55  524.812  544.147   27.252  508.830   29.182 35.31702 39.92809 
1 1 1    9   10   13 o   83.462   13.886  132.711   39.247  109.139   66.061  145.570   48.791   77.650   22.663   89.274   16.053 -11.62395 27.77242 
1 1 1    9   10   15 o  403.934   14.752  2843.62  200.542  3094.65  346.764  2717.47  245.820  416.685   23.545  391.182   17.779 25.50330 29.50410 
1 1 1    9   10   17 o  132.214   15.488  316.802   70.771  334.604  100.087  299.002  100.083  136.977   20.673  127.450   23.067 9.526649 30.97537 
1 1 1    9   10   19 o  214.424   22.716  824.522  172.155   0.0000   0.0000  824.522  172.155  ?   ?   214.424   22.716      ?      ? 
1 1 1    9   10   21 o  340.679   24.078  2092.63  289.923   0.0000   0.0000  2092.63  289.923  ?   ?   340.679   24.078      ?      ? 
1 1 1    9   10   25 o   46.395   16.213   34.279   32.740   34.279   32.740   0.0000   0.0000   46.395   16.213  ?   ?       ?      ? 
1 1 1    9   10   27 o  129.997   21.299  305.613   97.861  305.613   97.861   0.0000   0.0000  129.997   21.299  ?   ?       ?      ? 
1 1 1    9   10   29 o  151.695   11.604  420.071   54.731  397.176  105.035  428.604   64.125  148.252   20.045  155.139   11.695 -6.887497 23.20734 
1 1 1    9   10   31 o  179.389   12.749  578.857   71.581  585.219  138.234  576.525   83.673  179.184   21.827  179.594   13.182 -0.4095459 25.49856 
1 1 1    9   10   33 o  130.718   12.604  310.116   52.809  307.901   97.634  311.031   62.787  129.707   21.297  131.728   13.486 -2.020981 25.20739 
1 1 1    9   10   35 o  192.775   13.440  677.496   88.148  690.788  146.274  669.916  110.457  193.359   21.403  192.192   16.261 1.166748 26.87965 
1 1 1    9   10   37 o   50.099   13.925   28.467   37.957   57.395   41.541 -117.8374   93.422   56.320   18.261   43.878   21.027 12.44199 27.84974 
1 1 1    9   10   39 o   96.778   14.217  120.313   42.519   68.746   47.241  340.278   97.568   60.382   19.463  133.174   20.728 -72.79240 28.43355 
1 1 1    9   11    0 o  494.116   19.199  4347.37  334.052  4777.73  472.445  3917.09  472.398  518.756   25.767  469.476   28.469 49.27982 38.39845 
1 1 1    9   11    2 o  602.065   20.973  6446.62  446.287  6396.24  631.030  6497.04  631.260  599.697   29.771  604.433   29.549 -4.735535 41.94595 
1 1 1    9   11    4 o  337.517   16.853  2022.01  201.037  2005.74  284.007  2038.36  284.612  336.152   23.904  338.883   23.762 -2.730896 33.70524 
1 1 1    9   11    6 o  326.092   16.875  1889.21  194.320  1977.41  274.415  1800.51  275.206  333.768   23.262  318.415   24.454 15.35349 33.75048 
1 1 1    9   11    8 f  176.077   15.769  551.627   97.923  583.371  137.029  518.497  139.986  181.298   21.385  170.856   23.181 10.44191 31.53828 
1 1 1    9   11   10 o  533.279   20.817  5115.31  387.194  6054.80  547.255  4173.61  547.896  583.185   26.550  483.373   32.070 99.81180 41.63375 
1 1 1    9   11   12 o  426.032   18.176  3235.15  273.676  3270.16  386.347  3199.89  387.729  428.372   25.517  423.692   25.892 4.679810 36.35254 
1 1 1    9   11   14 o  254.637   16.499  1151.09  148.489   0.0000   0.0000  1151.09  148.489  ?   ?   254.637   16.499      ?      ? 
1 1 1    9   11   16 o  415.585   25.450  3097.22  373.831   0.0000   0.0000  3097.22  373.831  ?   ?   415.585   25.450      ?      ? 
1 1 1    9   11   20 o  224.160   22.197  903.513  175.866  903.513  175.866   0.0000   0.0000  224.160   22.197  ?   ?       ?      ? 
1 1 1    9   11   22 o  199.794   12.424  690.469   83.885  795.819  145.231  637.727  102.759  210.549   19.516  189.038   15.380 21.51134 24.84757 
1 1 1    9   11   24 o  232.908   13.670  956.912  107.662  1038.98  183.999  914.190  132.760  239.833   21.706  225.983   16.622 13.85016 27.33935 
1 1 1    9   11   26 o  151.286   14.495  409.238   76.741  335.795  103.628  498.424  114.197  136.235   21.521  166.337   19.424 -30.10170 28.99076 
1 1 1    9   11   28 o  124.087   25.740  291.690  109.186   0.0000   0.0000  291.690  109.186  ?   ?   124.087   25.740      ?      ? 
1 1 1    9   11   30 o  148.421   12.819  416.900   62.908  334.007  103.069  466.112   79.415  135.451   21.529  161.391   13.922 -25.94016 25.63843 
1 1 1    9   11   32 o  148.854   13.068  416.900   60.128  369.154  114.057  435.276   70.760  141.746   22.766  155.961   12.837 -14.21463 26.13576 
1 1 1    9   11   34 o  137.760   13.229  349.416   62.293  334.993  100.572  358.393   79.345  134.824   21.105  140.697   15.956 -5.872772 26.45769 
1 1 1    9   11   36 o  132.072   15.781  304.715   69.287  229.476   85.015  453.544  119.569  108.600   22.871  155.545   21.749 -46.94519 31.56146 
1 1 1    9   11   38 o   35.758   11.542   4.9493   18.194   10.670   18.617 -116.5223   85.791   30.549   11.926   40.967   19.764 -10.41766 23.08346 
1 1 1    9   11   40 o   61.318   16.234   34.615   28.303   25.708   29.449  142.423  102.459   40.974   15.233   81.662   28.673 -40.68788 32.46824 
1 1 1    9   12    1 o  355.432   15.750  2238.05  186.615  2252.08  323.351  2231.03  228.511  356.030   25.696  354.833   18.221 1.197418 31.50051 
1 1 1    9   12    3 f  421.489   15.597  3126.42  219.883  3233.45  380.917  3072.93  269.277  426.581   25.264  416.397   18.297 10.18341 31.19385 
1 1 1    9   12    5 o  319.749   10.608  1698.20  115.266  2240.06  199.578  1427.00  141.195  355.602   15.879  283.895   14.072 71.70700 21.21692 
1 1 1    9   12    7 o  242.226   16.099  1043.37  137.679  1091.81  193.806  994.010  195.621  247.944   22.115  236.508   23.402 11.43564 32.19830 
1 1 1    9   12    9 o  255.801   11.447  1158.19  103.497   0.0000   0.0000  1158.19  103.497  ?   ?   255.801   11.447      ?      ? 
1 1 1    9   12   11 o  239.747   22.268  1023.15  188.696   0.0000   0.0000  1023.15  188.696  ?   ?   239.747   22.268      ?      ? 
1 1 1    9   12   13 o  321.418   23.562  1844.96  267.676   0.0000   0.0000  1844.96  267.676  ?   ?   321.418   23.562      ?      ? 
1 1 1    9   12   15 o  256.219   15.709  1177.67  141.604  1307.58  200.412  1048.16  200.105  270.539   20.959  241.898   23.405 28.64160 31.41769 
1 1 1    9   12   17 o  188.428   15.401  636.712  102.565  638.152  144.902  635.267  145.196  188.647   21.732  188.208   21.827 0.4389038 30.80122 
1 1 1    9   12   19 o   69.880   13.017   89.592   30.968   0.0000   0.0000   89.592   30.968  ?   ?    69.880   13.017      ?      ? 
1 1 1    9   12   21 o  211.319   11.958  787.520   78.290  822.154  155.053  775.669   90.701  213.799   20.519  208.840   12.288 4.959106 23.91691 
1 1 1    9   12   23 o  252.500   12.445  1137.81   96.739  1154.23  191.980  1132.22  111.997  252.822   21.484  252.177   12.566 0.6450195 24.88911 
1 1 1    9   12   25 o  307.694   14.239  1688.45  147.299  1771.88  252.949  1645.64  181.189  312.455   22.905  302.933   16.922 9.522156 28.47806 
1 1 1    9   12   27 o  106.361   12.916  223.257   44.225  151.311   70.221  270.553   56.936   89.576   22.274  123.145   13.081 -33.56901 25.83105 
1 1 1    9   12   29 o  269.120   15.612  1315.58  147.847  1153.92  203.176  1497.52  215.546  251.307   22.874  286.932   21.254 -35.62428 31.22442 
1 1 1    9   12   31 o  324.418   16.159  1931.59  184.457  1699.10  256.145  2182.04  265.847  303.595   23.871  345.240   21.787 -41.64526 32.31851 
1 1 1    9   12   33 o   72.905   13.230  100.775   32.694   96.293   58.356  102.826   39.471   71.697   21.400   74.114   15.563 -2.417282 26.46052 
1 1 1    9   12   35 o   97.394   18.919  194.050   66.233  213.345   81.162  155.582  114.599  104.843   22.570   89.946   30.370 14.89640 37.83863 
1 1 1    9   12   37 f  114.214   19.386  272.655   75.272  281.685   93.865  256.386  125.993  119.117   23.129  109.310   31.118 9.807159 38.77193 
1 1 1    9   12   39 o   65.134   16.326   59.668   36.116   47.477   39.153  129.229   93.527   51.390   17.743   78.879   27.412 -27.48843 32.65287 
1 1 1    9   13    0 o  825.537   22.406 12020.59  619.492 12599.82  1073.10 11731.05  758.684  839.071   36.184  812.003   26.435 27.06799 44.81208 
1 1 1    9   13    2 o  411.267   18.969  2999.81  275.738   0.0000   0.0000  2999.81  275.738  ?   ?   411.267   18.969      ?      ? 
1 1 1    9   13    4 o  459.095   18.788  3738.88  304.858   0.0000   0.0000  3738.88  304.858  ?   ?   459.095   18.788      ?      ? 
1 1 1    9   13    8 o  227.027   22.094  917.149  177.284   0.0000   0.0000  917.149  177.284  ?   ?   227.027   22.094      ?      ? 
1 1 1    9   13   10 o  380.243   17.384  2581.95  233.615  2615.73  330.567  2548.25  330.196  382.751   24.436  377.735   24.732 5.016388 34.76757 
1 1 1    9   13   12 o  255.792   13.217  1154.88  113.266  1197.57  195.611  1133.34  138.926  259.017   21.367  252.568   15.563 6.449036 26.43390 
1 1 1    9   13   14 o  161.396   12.201  440.109   66.945  553.340  115.505  382.832   82.150  176.116   18.556  146.676   15.846 29.43929 24.40132 
1 1 1    9   13   16 o  337.408   14.306  1994.57  162.531  2184.27  280.967  1899.17  199.253  348.595   22.804  326.221   17.281 22.37408 28.61233 
1 1 1    9   13   18 o  224.887   15.571  911.191  123.537  974.614  174.820  847.930  174.597  232.854   21.242  216.921   22.773 15.93288 31.14166 
1 1 1    9   13   20 o  128.589   12.282  297.079   48.929  293.781   95.583  298.250   56.958  127.700   21.177  129.477   12.446 -1.777122 24.56382 
1 1 1    9   13   22 o  349.421   13.905  2215.25  148.144  2161.56  295.094  2233.35  171.294  344.931   24.205  353.910   13.694 -8.978363 27.81025 
1 1 1    9   13   24 o   33.503   7.7231   18.676   11.227   6.3879   17.223   27.755   14.804   28.128   11.311   38.878   10.519 -10.75025 15.44618 
1 1 1    9   13   26 f  130.185   13.758  312.938   53.815  304.645  104.284  315.948   62.827  127.326   24.054  133.044   13.361 -5.717789 27.51595 
1 1 1    9   13   28 o  224.131   13.812  909.166  103.242  911.485  178.159  907.994  126.681  223.440   22.559  224.821   15.942 -1.381165 27.62395 
1 1 1    9   13   30 o  164.927   12.938  575.126   61.822  294.338   99.672  750.697   78.815  124.663   23.483  205.190   10.868 -80.52727 25.87539 
1 1 1    9   13   32 o  150.079   21.676  415.539  114.981  415.539  114.981   0.0000   0.0000  150.079   21.676  ?   ?       ?      ? 
1 1 1    9   13   34 o  209.896   13.813  824.794   97.555  778.602  162.213  850.966  122.104  203.693   22.531  216.098   15.987 -12.40459 27.62679 
1 1 1    9   13   36 o  159.280   15.014  475.295   83.413  382.128  111.093  595.697  126.291  141.098   22.276  177.462   20.135 -36.36330 30.02742 
1 1 1    9   13   38 o  106.936   17.786  223.804   63.013  187.311   76.398  301.456  111.443   95.323   22.951  118.548   27.178 -23.22517 35.57199 
1 1 1    9   14    1 o  233.493   22.160  969.356  182.879   0.0000   0.0000  969.356  182.879  ?   ?   233.493   22.160      ?      ? 
1 1 1    9   14    3 o  254.075   22.453  1148.51  201.633   0.0000   0.0000  1148.51  201.633  ?   ?   254.075   22.453      ?      ? 
1 1 1    9   14    5 o  257.851   15.680  1187.60  142.132  1330.97  201.232  1044.88  200.777  273.545   20.814  242.157   23.458 31.38770 31.36083 
1 1 1    9   14    7 o  527.137   19.837  4978.86  369.534  4875.10  522.761  5082.50  522.440  521.569   28.358  532.705   27.748 -11.13593 39.67497 
1 1 1    9   14    9 o  196.028   13.657  680.787   89.553  695.818  154.620  673.200  109.854  197.404   22.161  194.651   15.968 2.752411 27.31442 
1 1 1    9   14   11 o  235.063   14.166  954.085  112.632  1097.34  194.560  881.875  138.132  247.620   22.230  222.507   17.564 25.11305 28.33182 
1 1 1    9   14   13 o  199.025   12.452  689.310   83.637  764.420  144.272  651.291  102.645  206.749   19.743  191.300   15.181 15.44922 24.90499 
1 1 1    9   14   15 o  253.804   14.222  1133.90  121.387  1221.44  209.662  1089.76  148.877  260.541   22.768  247.068   17.049 13.47357 28.44357 
1 1 1    9   14   17 o  285.885   13.779  1460.15  131.647  1485.14  227.294  1447.53  161.493  287.031   22.405  284.740   16.047 2.291687 27.55840 
1 1 1    9   14   19 o  164.284   21.551  486.850  125.138   0.0000   0.0000  486.850  125.138  ?   ?   164.284   21.551      ?      ? 
1 1 1    9   14   21 o  257.806   13.268  1209.02  104.263  1165.77  207.176  1223.69  120.656  253.554   23.118  262.059   13.027 -8.505508 26.53552 
1 1 1    9   14   23 o  241.624   13.324  1069.55   98.036  1013.34  194.121  1088.79  113.585  236.128   23.260  247.119   13.005 -10.99104 26.64831 
1 1 1    9   14   25 o   87.596   12.218  149.595   33.359  119.479   61.675  162.050   39.662   79.810   21.418   95.382   11.765 -15.57203 24.43614 
1 1 1    9   14   27 o  376.510   14.993  2737.04  166.731  2278.49  331.647  2892.14  192.877  350.907   26.740  402.113   13.571 -51.20547 29.98675 
1 1 1    9   14   29 o   54.457   11.315   53.202   22.370   57.777   38.310   50.835   27.556   56.510   17.438   52.405   14.423 4.105183 22.62925 
1 1 1    9   14   31 o   63.616   11.942   78.928   26.862   59.380   46.721   88.581   32.831   58.249   19.390   68.983   13.945 -10.73331 23.88424 
1 1 1    9   14   33 o  134.273   17.262  345.053   78.986  338.466  103.202  354.367  122.721  134.597   21.694  133.950   26.856 0.6475067 34.52362 
1 1 1    9   14   35 o  105.636   15.194  203.283   54.925  151.666   69.216  291.052   90.258   87.366   22.331  123.906   20.610 -36.54069 30.38777 
1 1 1    9   14   37 o  104.406   20.125  243.122   74.090  255.065   89.035  216.231  133.600  111.513   23.339   97.298   32.792 14.21587 40.24921 
1 1 1    9   15    0 o  527.753   27.944  4985.21  521.234  4985.21  521.234   0.0000   0.0000  527.753   27.944  ?   ?       ?      ? 
1 1 1    9   15    2 o  704.233   20.727  8743.82  490.050  9386.56  848.772  8422.43  600.193  721.798   33.270  686.669   24.730 35.12903 41.45452 
1 1 1    9   15    4 f  300.708   13.279  1575.10  134.424  1719.43  232.447  1502.57  164.770  310.558   21.177  290.858   16.028 19.70087 26.55846 
1 1 1    9   15    6 o  371.497   14.745  2441.75  183.294  2527.78  317.146  2398.61  224.604  375.811   23.876  367.183   17.307 8.627991 29.48909 
1 1 1    9   15    8 o   67.371   12.872   82.465   30.374   86.148   51.384   80.487   37.657   68.777   19.963   65.965   16.256 2.812172 25.74444 
1 1 1    9   15   10 o  216.800   14.179  817.174  103.828  919.441  179.217  765.510  127.382  226.406   22.396  207.194   17.395 19.21230 28.35760 
1 1 1    9   15   12 o   81.027   13.634  122.708   37.265  117.071   62.963  125.747   46.232   79.497   21.769   82.557   16.422 -3.060524 27.26885 
1 1 1    9   15   14 o  150.083   13.335  391.072   67.732  445.821  116.651  363.225   83.193  157.532   20.951  142.634   16.502 14.89806 26.66940 
1 1 1    9   15   16 o  306.559   14.418  1669.10  148.204  1756.06  256.163  1625.35  181.702  311.692   23.253  301.425   17.055 10.26727 28.83688 
1 1 1    9   15   18 o   64.967   12.620   79.794   29.503   64.801   49.513   88.047   36.737   61.066   19.944   68.869   15.470 -7.802631 25.24057 
1 1 1    9   15   20 o  285.970   18.106  1468.89  183.002   0.0000   0.0000  1468.89  183.002  ?   ?   285.970   18.106      ?      ? 
1 1 1    9   15   22 o  186.994   16.395  638.256  107.855  692.886  150.603  580.738  154.532  195.547   21.790  178.441   24.502 17.10558 32.78977 
1 1 1    9   15   24 o  130.087   12.841  295.954   52.289  324.567  102.987  286.017   60.694  133.646   21.802  126.528   13.572 7.118568 25.68153 
1 1 1    9   15   26 o  336.645   14.536  2138.85  146.582  1903.25  291.496  2218.59  169.583  321.154   25.680  352.135   13.626 -30.98071 29.07108 
1 1 1    9   15   28 o   67.645   13.077   85.966   31.988   81.660   49.148   89.130   42.133   66.395   19.596   68.896   17.321 -2.500870 26.15402 
1 1 1    9   15   30 o   43.181   11.124   25.934   21.487   37.396   35.394   19.244   27.040   48.020   16.853   38.342   14.524 9.678085 22.24797 
1 1 1    9   15   32 o   96.416   13.346  173.389   41.119  177.447   74.835  171.633   49.214   95.500   22.534   97.332   14.306 -1.832054 26.69164 
1 1 1    9   15   34 o   58.516   15.510   35.817   29.098   28.340   30.746  100.029   90.100   42.832   15.625   74.199   26.798 -31.36710 31.02036 
1 1 1    9   15   36 o   69.208   27.112   80.377   96.479   0.0000   0.0000   80.377   96.479  ?   ?    69.208   27.112      ?      ? 
1 1 1    9   16    1 o  708.630   23.942  9130.24  598.227  9832.09  845.554  8426.83  846.490  736.694   32.474  680.566   35.191 56.12842 47.88483 
1 1 1    9   16    3 o  565.797   21.299  5804.23  424.112  6400.61  599.298  5205.90  600.274  595.678   28.465  535.915   31.691 59.76324 42.59769 
1 1 1    9   16    5 o  167.890   16.252  508.616   95.734  569.099  133.996  445.551  136.826  178.326   21.260  157.454   24.586 20.87163 32.50334 
1 1 1    9   16    7 o  221.300   13.398  856.010   99.972  938.026  172.366  814.433  122.722  228.792   21.315  213.808   16.240 14.98399 26.79687 
1 1 1    9   16    9 o  361.003   15.334  2305.48  185.719  2448.50  321.341  2233.74  227.576  368.455   24.675  353.551   18.212 14.90396 30.66818 
1 1 1    9   16   11 o  392.608   15.219  2721.37  200.757  2929.71  347.285  2616.80  246.031  402.750   24.397  382.467   18.200 20.28256 30.43755 
1 1 1    9   16   13 o  332.065   14.923  1992.12  164.748  1959.69  284.837  2008.43  201.957  328.995   24.496  335.135   17.050 -6.139771 29.84505 
1 1 1    9   16   15 o   66.581   12.892   80.574   30.277   86.638   50.837   77.240   37.691   68.663   19.835   64.500   16.474 4.162384 25.78434 
1 1 1    9   16   17 o  180.324   13.989  588.529   83.957  575.989  144.641  594.901  103.104  178.291   22.953  182.357   15.997 -4.065659 27.97753 
1 1 1    9   16   19 o  276.230   14.289  1381.57  131.410  1361.67  226.631  1391.65  161.293  273.751   23.423  278.709   16.374 -4.957458 28.57854 
1 1 1    9   16   21 o  349.104   15.403  2205.08  179.385  2222.89  309.770  2196.09  220.034  348.702   25.134  349.505   17.812 -0.8027344 30.80580 
1 1 1    9   16   23 o  153.624   13.478  440.384   68.120  384.987  116.055  469.501   84.138  145.329   22.594  161.920   14.702 -16.59093 26.95606 
1 1 1    9   16   25 o  244.884   13.156  1072.41  113.869   0.0000   0.0000  1072.41  113.869  ?   ?   244.884   13.156      ?      ? 
1 1 1    9   16   27 o  128.118   13.321  309.628   51.358  286.846   97.781  318.307   60.353  122.910   23.363  133.326   12.808 -10.41581 26.64284 
1 1 1    9   16   29 o  148.781   12.087  405.797   56.212  394.759  107.549  409.945   65.935  146.383   20.787  151.180   12.340 -4.796356 24.17375 
1 1 1    9   16   31 o  166.667   12.017  499.863   70.791   0.0000   0.0000  499.863   70.791  ?   ?   166.667   12.017      ?      ? 
1 1 1    9   17    0 o  160.309   13.223  449.544   71.421  490.102  123.203  429.016   87.651  165.414   21.073  155.205   15.978 10.20937 26.44585 
1 1 1    9   17    2 f  523.431   16.559  4802.50  291.997  5332.96  505.456  4536.79  357.727  543.403   26.317  503.459   20.103 39.94339 33.11710 
1 1 1    9   17    4 o  230.327   17.644  971.044  140.553  1187.96  197.823  749.916  199.736  257.254   21.757  203.401   27.783 53.85240 35.28833 
1 1 1    9   17    6 o  498.640   20.383  4534.90  357.738  4986.92  505.173  4080.19  506.666  524.386   27.256  472.895   30.314 51.49100 40.76551 
1 1 1    9   17    8 o  219.213   17.375  880.156  131.963  1069.59  185.874  687.632  187.383  243.881   21.564  194.544   27.252 49.33704 34.75100 
1 1 1    9   17   10 o  134.489   14.443  332.931   65.163  243.305   90.615  428.918   93.776  114.113   23.256  154.865   17.132 -40.75198 28.88548 
1 1 1    9   17   12 o  111.549   13.312  228.971   48.195  221.136   82.465  233.036   59.395  108.808   22.195  114.290   14.703 -5.482422 26.62341 
1 1 1    9   17   14 o  179.134   13.084  573.405   78.541  585.194  134.946  567.365   96.585  180.075   21.203  178.194   15.335 1.880692 26.16729 
1 1 1    9   17   16 o  335.424   14.892  2044.20  165.974  1996.37  286.609  2068.33  203.583  331.174   24.486  339.674   16.957 -8.500214 29.78435 
1 1 1    9   17   18 o  202.517   13.539  724.241   92.396  787.152  159.145  692.253  113.480  208.496   21.596  196.538   16.336 11.95773 27.07888 
1 1 1    9   17   20 o  299.747   16.600  1638.30  175.664  1549.04  248.391  1727.61  248.461  291.321   24.124  308.174   22.811 -16.85269 33.20071 
1 1 1    9   17   22 o  216.458   13.375  872.292   95.633  769.591  162.134  927.086  118.428  205.441   22.329  227.473   14.730 -22.03209 26.74973 
1 1 1    9   17   24 o  146.542   13.679  401.531   66.438  352.175  111.630  428.603   82.675  138.614   22.785  154.471   15.143 -15.85657 27.35825 
1 1 1    9   17   26 o   54.751   13.061   55.859   24.921   0.0000   0.0000   55.859   24.921  ?   ?    54.751   13.061      ?      ? 
1 1 1    9   17   28 o  122.805   22.752  288.215   95.119   0.0000   0.0000  288.215   95.119  ?   ?   122.805   22.752      ?      ? 
1 1 1    9   17   30 o  171.755   15.700  538.342   95.310   0.0000   0.0000  538.342   95.310  ?   ?   171.755   15.700      ?      ? 
1 1 1    9   17   32 o   65.004   19.888   81.131   49.956   81.131   49.956   0.0000   0.0000   65.004   19.888  ?   ?       ?      ? 
1 1 1    9   17   34 o  112.546   14.811  198.233   53.350  117.587   61.873  431.979  105.337   75.963   21.864  149.129   19.985 -73.16599 29.62168 
1 1 1    9   18    1 o  284.336   13.897  1443.92  131.964  1465.29  228.059  1433.16  161.803  285.262   22.620  283.410   16.153 1.851563 27.79497 
1 1 1    9   18    3 o  203.045   17.057  752.394  120.701  884.357  169.528  616.724  171.892  221.722   21.633  184.368   26.378 37.35400 34.11447 
1 1 1    9   18    5 o   62.639   11.555   75.514   25.775   54.846   42.968   87.132   32.215   56.517   18.585   68.761   13.736 -12.24380 23.11021 
1 1 1    9   18    7 o  447.981   16.119  3588.87  241.700  3736.25  418.077  3514.88  296.219  453.329   26.093  442.634   18.934 10.69485 32.23894 
1 1 1    9   18    9 o  195.818   16.999  702.290  115.900  831.100  163.017  570.626  164.813  214.662   21.486  176.973   26.349 37.68869 33.99875 
1 1 1    9   18   11 o  274.351   16.802  1367.55  162.618  1453.99  229.055  1279.71  230.908  283.367   22.870  265.335   24.622 18.03217 33.60494 
1 1 1    9   18   13 o  235.361   15.451  1002.60  128.278  924.543  180.265  1082.69  182.581  225.891   22.578  244.831   21.099 -18.93983 30.90246 
1 1 1    9   18   15 o  297.947   17.946  1633.06  186.903  1893.10  263.422  1369.45  265.228  322.843   23.086  273.051   27.482 49.79187 35.89190 
1 1 1    9   18   17 o  154.296   13.544  421.921   70.839  454.737  120.199  404.458   87.685  158.426   21.466  150.166   16.521 8.259781 27.08755 
1 1 1    9   18   19 o  206.361   13.555  774.629   93.719  752.253  158.936  786.557  116.039  203.313   22.118  209.409   15.678 -6.095993 27.11064 
1 1 1    9   18   21 o  287.697   23.385  1516.19  237.789   0.0000   0.0000  1516.19  237.789  ?   ?   287.697   23.385      ?      ? 
1 1 1    9   18   23 o   41.491   15.262   24.790   29.417   0.0000   0.0000   24.790   29.417  ?   ?    41.491   15.262      ?      ? 
1 1 1    9   18   25 o  108.959   22.604  226.590   84.196   0.0000   0.0000  226.590   84.196  ?   ?   108.959   22.604      ?      ? 
1 1 1    9   18   27 o   33.111   9.0701   12.638   15.137   10.595   20.873   14.905   21.983   31.936   12.580   34.286   13.070 -2.349865 18.14013 
1 1 1    9   18   29 o  161.423   13.263  488.687   66.100  470.978  128.052  495.120   77.177  157.483   23.005  165.363   13.205 -7.879684 26.52578 
1 1 1    9   18   31 o   72.336   16.675  103.792   53.280  143.712   66.035   29.325   90.190   84.771   21.888   59.902   25.162 24.86924 33.35028 
1 1 1    9   18   33 o   95.309   18.279  194.757   61.976  196.369   78.089  192.013  101.875   97.323   23.056   93.295   28.372 4.028023 36.55845 
1 1 1    9   19    0 o   90.623   12.146  152.179   36.150  141.743   60.985  157.832   44.885   87.105   20.201   94.140   13.490 -7.034904 24.29109 
1 1 1    9   19    2 o  347.124   15.264  2170.70  176.628  2178.12  305.273  2166.97  216.556  346.417   24.933  347.831   17.615 -1.414063 30.52744 
1 1 1    9   19    4 o   36.799   9.5726   15.907   16.650   30.858   25.968   5.4708   21.697   42.996   14.457   30.603   12.551 12.39272 19.14516 
1 1 1    9   19    6 o  385.195   16.046  2680.56  206.023  2696.48  356.224  2672.56  252.545  384.556   26.209  385.834   18.519 -1.278046 32.09117 
1 1 1    9   19    8 o  131.245   13.097  304.361   57.968  326.304   99.408  293.055   71.356  134.477   20.915  128.012   15.771 6.465729 26.19446 
1 1 1    9   19   10 o  369.085   15.358  2406.64  190.878  2653.58  330.145  2282.65  233.942  381.832   24.463  356.338   18.575 25.49420 30.71597 
1 1 1    9   19   12 o  198.251   13.936  703.442   93.042  725.838  158.586  691.687  114.894  200.059   22.428  196.442   16.548 3.617294 27.87181 
1 1 1    9   19   14 o  255.159   15.940  1181.37  143.654  1122.13  200.411  1243.97  206.018  248.501   22.818  261.817   22.263 -13.31621 31.87946 
1 1 1    9   19   16 o  425.067   26.359  3323.16  396.011   0.0000   0.0000  3323.16  396.011  ?   ?   425.067   26.359      ?      ? 
1 1 1    9   19   22 o  230.169   22.599  975.164  183.849   0.0000   0.0000  975.164  183.849  ?   ?   230.169   22.599      ?      ? 
1 1 1    9   19   24 o   95.556   12.877  174.458   41.166  148.003   65.363  191.851   52.997   87.956   21.261  103.156   14.536 -15.20058 25.75473 
1 1 1    9   19   26 o   73.723   11.993  105.567   31.122   76.603   48.894  125.294   40.352   64.157   19.684   83.289   13.708 -19.13245 23.98619 
1 1 1    9   19   28 o  188.964   14.319  671.516   90.559  666.754  154.159  674.025  111.901  186.598   23.374  191.330   16.548 -4.731552 28.63890 
1 1 1    9   19   30 o   23.104   6.4280   3.0984   8.4454  -7.5989   12.515   12.043   11.444   18.827   8.5682   27.381   9.5845 -8.553942 12.85601 
1 1 1    9   20    1 o  258.339   16.090  1208.75  146.909  1195.26  207.725  1222.26  207.798  256.862   22.881  259.817   22.628 -2.954346 32.18023 
1 1 1    9   20    3 f  106.943   13.593  214.497   47.035  194.283   80.367  225.028   58.007  101.627   22.920  112.259   14.620 -10.63185 27.18610 
1 1 1    9   20    5 o  346.060   14.935  2099.09  174.489  2380.81  301.783  1957.60  213.862  362.052   23.583  330.069   18.332 31.98312 29.87018 
1 1 1    9   20    7 o  193.617   12.206  695.938   77.994  602.169  131.811  746.457   96.749  182.650   20.418  204.584   13.380 -21.93423 24.41133 
1 1 1    9   20    9 o  388.076   15.205  2713.27  197.355  2767.46  340.104  2685.77  242.327  389.504   24.705  386.648   17.732 2.856232 30.40979 
1 1 1    9   20   11 o  408.538   18.482  3004.57  266.873   0.0000   0.0000  3004.57  266.873  ?   ?   408.538   18.482      ?      ? 
1 1 1    9   20   13 o  398.967   25.481  2919.76  359.315   0.0000   0.0000  2919.76  359.315  ?   ?   398.967   25.481      ?      ? 
1 1 1    9   20   15 o  359.965   24.707  2378.47  314.339   0.0000   0.0000  2378.47  314.339  ?   ?   359.965   24.707      ?      ? 
1 1 1    9   20   17 o  120.908   15.701  271.968   65.508  244.863   92.649  299.065   92.635  113.556   23.843  128.260   20.435 -14.70426 31.40178 
1 1 1    9   20   19 o  263.508   16.829  1281.43  156.539  1313.48  217.871  1247.22  225.063  267.250   23.065  259.766   24.513 7.483704 33.65885 
1 1 1    9   20   21 o  135.758   21.591  339.106  103.599  339.106  103.599   0.0000   0.0000  135.758   21.591  ?   ?       ?      ? 
1 1 1    9   20   23 o   88.919   13.573  131.725   41.906   81.080   51.747  228.218   71.428   66.087   20.245  111.750   18.084 -45.66335 27.14614 
1 1 1    9   20   25 o   49.733   11.728   42.735   24.007   47.743   36.567   38.941   31.825   51.951   17.148   47.515   16.005 4.436108 23.45628 
1 1 1    9   20   27 o   78.980   13.706  124.068   37.562  106.584   60.558  135.001   47.886   73.837   21.741   84.122   16.695 -10.28455 27.41143 
1 1 1    9   20   29 o   76.676   12.304  118.320   32.932   87.155   52.399  138.667   42.339   66.610   20.367   86.742   13.810 -20.13199 24.60744 
1 1 1    9   21    0 o  159.077   12.561  427.878   68.110  561.157  116.840  359.277   83.826  176.597   18.719  141.556   16.754 35.04091 25.12203 
1 1 1    9   21    2 o  232.603   14.818  980.123  120.349  794.220  167.107  1180.45  173.469  209.211   22.599  255.995   19.172 -46.78424 29.63581 
1 1 1    9   21    4 o  307.242   14.368  1716.01  146.844  1670.59  252.809  1739.13  180.397  302.999   23.606  311.486   16.386 -8.487427 28.73607 
1 1 1    9   21    6 o  339.595   17.000  2070.07  204.042   0.0000   0.0000  2070.07  204.042  ?   ?   339.595   17.000      ?      ? 
1 1 1    9   21    8 o  147.929   21.569  396.831  112.772   0.0000   0.0000  396.831  112.772  ?   ?   147.929   21.569      ?      ? 
1 1 1    9   21   10 o  283.895   23.279  1471.06  233.580   0.0000   0.0000  1471.06  233.580  ?   ?   283.895   23.279      ?      ? 
1 1 1    9   21   12 o  212.063   15.748  820.322  117.944  856.919  166.812  783.738  166.783  216.945   21.755  207.182   22.776 9.762573 31.49650 
1 1 1    9   21   14 f  288.571   13.777  1538.99  131.462  1422.28  225.469  1599.10  161.813  278.730   22.887  298.411   15.342 -19.68127 27.55309 
1 1 1    9   21   16 o  250.462   13.611  1143.60  114.190  1125.33  194.311  1153.24  141.132  247.818   22.184  253.107   15.776 -5.288757 27.22185 
1 1 1    9   21   18 o  241.558   13.761  1079.17  110.442  1017.68  188.639  1111.23  136.231  234.883   22.723  248.234   15.527 -13.35083 27.52126 
1 1 1    9   21   20 o  110.626   13.862  234.261   50.646  203.745   81.678  253.323   64.554  102.891   23.034  118.361   15.431 -15.46970 27.72486 
1 1 1    9   21   22 f   97.090   22.453  182.695   75.515   0.0000   0.0000  182.695   75.515  ?   ?    97.090   22.453      ?      ? 
1 1 1    9   21   24 o  100.760   17.690  204.958   62.568  220.803   82.620  183.651   95.807  106.128   22.712   95.392   27.128 10.73566 35.38042 
1 1 1    9   21   26 o   78.876   16.879  126.784   52.018  148.575   67.374   94.623   81.849   86.183   22.033   71.569   25.576 14.61320 33.75815 
1 1 1    9   21   28 f   64.888   14.974   76.577   37.624   63.305   45.786  104.170   66.019   57.891   19.192   71.886   22.991 -13.99492 29.94865 
1 1 1    9   22    1 o  174.915   23.089  557.023  142.740   0.0000   0.0000  557.023  142.740  ?   ?   174.915   23.089      ?      ? 
1 1 1    9   22    3 o   68.455   20.277   86.168   52.542   0.0000   0.0000   86.168   52.542  ?   ?    68.455   20.277      ?      ? 
1 1 1    9   22    5 o  262.252   22.944  1254.53  212.670   0.0000   0.0000  1254.53  212.670  ?   ?   262.252   22.944      ?      ? 
1 1 1    9   22    7 o  115.993   15.667  251.402   62.526  203.159   88.395  299.712   88.456  103.289   24.571  128.698   19.446 -25.40956 31.33498 
1 1 1    9   22    9 o  208.820   14.115  777.878   99.469  835.191  170.237  748.168  122.567  213.829   22.525  203.811   17.015 10.01765 28.22918 
1 1 1    9   22   11 o  358.896   14.355  2370.72  170.747  2255.18  293.911  2429.58  209.777  350.362   23.734  367.431   16.153 -17.06866 28.70985 
1 1 1    9   22   13 o  241.882   13.907  1054.96  113.084  1094.73  193.581  1034.36  139.329  244.279   22.421  239.484   16.461 4.795532 27.81468 
1 1 1    9   22   15 o  259.200   13.458  1218.31  117.006  1240.62  200.267  1206.74  144.171  259.789   21.811  258.611   15.773 1.178650 26.91626 
1 1 1    9   22   17 o   93.633   13.767  163.120   43.071  178.687   70.090  153.674   54.595   96.801   21.083   90.464   17.709 6.337517 27.53351 
1 1 1    9   22   19 o   65.951   12.514   82.516   29.551   78.627   46.004   85.248   38.557   64.737   18.917   67.166   16.387 -2.429855 25.02791 
1 1 1    9   22   21 o   40.575   10.339   24.709   19.403   13.910   28.276   34.319   26.675   36.809   14.596   44.340   14.646 -7.531681 20.67743 
1 1 1    9   22   23 o   57.344   18.959   59.889   44.694   0.0000   0.0000   59.889   44.694  ?   ?    57.344   18.959      ?      ? 
1 1 1    9   22   25 o   96.219   14.591  183.761   47.334  173.414   78.507  189.671   59.332   91.829   23.942  100.610   16.685 -8.781006 29.18252 
1 1 1    9   23    0 o  150.970   21.607  415.026  115.292  415.026  115.292   0.0000   0.0000  150.970   21.607  ?   ?       ?      ? 
1 1 1    9   23    2 o  111.681   15.536  233.168   59.932  189.109   84.677  277.394   84.837   99.608   24.274  123.753   19.396 -24.14473 31.07117 
1 1 1    9   23    4 f  338.054   14.963  2067.17  169.358  2125.12  291.625  2037.68  208.034  340.032   24.265  336.077   17.514 3.954376 29.92535 
1 1 1    9   23    6 o  265.478   14.249  1278.47  126.862  1289.80  216.730  1272.57  156.468  265.199   23.122  265.756   16.658 -0.5568542 28.49766 
1 1 1    9   23    8 o  402.780   15.519  2933.51  209.656  3085.35  361.550  2856.58  257.340  408.437   25.045  397.124   18.334 11.31268 31.03870 
1 1 1    9   23   10 o  109.133   14.098  216.567   51.878  239.249   84.500  202.846   65.723  112.427   22.053  105.840   17.569 6.587120 28.19567 
1 1 1    9   23   12 o  183.577   12.806  624.232   78.230  575.344  132.401  650.454   96.965  177.018   21.162  190.136   14.429 -13.11827 25.61284 
1 1 1    9   23   14 o   78.902   13.238  120.588   35.955  102.852   57.430  132.022   46.110   73.733   21.015   84.071   16.104 -10.33730 26.47639 
1 1 1    9   23   16 o   91.649   13.870  158.900   42.559  164.178   69.169  155.684   53.988   92.333   21.582   90.964   17.427 1.369705 27.73957 
1 1 1    9   23   18 o   58.009   12.271   62.941   26.973   58.236   41.940   66.259   35.223   56.742   18.344   59.275   16.303 -2.533463 24.54153 
1 1 1    9   23   20 o  124.856   14.604  297.769   59.938  297.510  100.305  297.912   74.753  122.628   24.002  127.085   16.642 -4.456718 29.20717 
1 1 1    9   23   22 o   59.603   13.323   66.708   31.765   53.501   44.737   80.137   45.110   54.898   18.965   64.308   18.716 -9.410011 26.64502 
1 1 1    9   23   24 o   54.286   12.226   54.506   26.059   64.195   41.075   47.979   33.711   57.788   18.093   50.784   16.449 7.004139 24.45239 
1 1 1    9   24    1 o  156.019   14.408  437.734   77.915  331.318  104.326  571.950  117.163  134.478   21.949  177.560   18.669 -43.08144 28.81517 
1 1 1    9   24    3 o  178.328   14.336  575.878   88.415  429.159  119.590  752.750  131.304  152.918   22.127  203.739   18.234 -50.82094 28.67176 
1 1 1    9   24    5 o   98.592   14.322  182.134   46.978  188.654   76.904  178.253   59.335   99.443   22.416   97.742   17.833 1.700439 28.64423 
1 1 1    9   24    7 o  388.610   15.185  2770.44  196.933  2791.51  339.283  2759.73  241.842  387.231   24.790  389.989   17.545 -2.757477 30.37045 
1 1 1    9   24    9 o  348.616   14.571  2232.18  169.475  2233.39  291.611  2231.56  208.256  346.462   23.814  350.771   16.798 -4.309326 29.14213 
1 1 1    9   24   11 o  306.771   14.178  1749.99  144.222  1671.99  247.915  1789.89  177.314  299.342   23.432  314.201   15.967 -14.85870 28.35505 
1 1 1    9   24   13 o   39.235   10.553   18.209   20.443   30.008   30.623   8.7235   27.457   43.730   15.642   34.740   14.168 8.990028 21.10517 
1 1 1    9   24   15 o   82.817   13.871  132.044   39.131  130.205   63.662  133.161   49.609   81.876   21.663   83.758   17.329 -1.882454 27.74168 
1 1 1    9   24   17 o   77.265   12.665  118.729   34.368   84.533   55.327  140.214   43.855   66.817   21.012   87.712   14.146 -20.89583 25.32978 
1 1 1    9   24   19 o  134.871   14.183  357.017   61.772  324.520  103.508  374.994   76.984  127.229   23.895  142.514   15.284 -15.28458 28.36513 
1 1 1    9   24   21 o   39.543   9.7260   26.239   16.835   19.854   24.586   31.876   23.100   37.070   13.891   42.016   13.617 -4.945812 19.45191 
1 1 1    9   25    0 o  241.484   13.673  1055.21  111.150  1102.47  189.934  1030.60  137.073  244.372   21.990  238.597   16.254 5.775375 27.34542 
1 1 1    9   25    2 o  194.617   13.113  684.073   86.216  715.608  146.273  667.285  106.726  197.155   20.991  192.080   15.720 5.074570 26.22526 
1 1 1    9   25    4 o  106.292   18.240  226.728   74.705  328.827  100.160   98.712  112.154  133.471   21.232   79.114   29.664 54.35688 36.47961 
1 1 1    9   25    6 o  213.530   16.980  857.784  127.522  916.059  176.551  794.219  184.393  221.879   22.513  205.180   25.427 16.69812 33.96090 
1 1 1    9   25    8 o  209.350   15.007  811.229  109.978  670.902  151.071  969.447  160.412  189.489   22.557  229.210   19.801 -39.72101 30.01462 
1 1 1    9   25   10 f   87.630   14.006  146.667   41.350  149.466   67.538  144.988   52.297   87.749   21.858   87.510   17.519 0.2392654 28.01237 
1 1 1    9   25   12 o  168.737   13.346  548.414   74.051  464.780  124.400  594.312   92.157  156.714   22.459  180.761   14.425 -24.04672 26.69231 
1 1 1    9   25   14 o   82.357   13.615  133.102   38.083  123.666   62.336  138.722   48.104   79.297   21.638   85.416   16.531 -6.119164 27.23072 
1 1 1    9   25   16 o  112.259   13.517  246.035   49.827  225.204   81.688  258.378   62.879  106.176   22.468  118.341   15.033 -12.16447 27.03378 
1 1 1    9   25   18 o   79.277   12.870  124.739   34.632  117.269   55.932  129.383   44.104   76.499   20.337   82.055   15.780 -5.556564 25.74082 
1 1 1    9   26    1 o  131.008   13.214  341.739   54.294  252.864   89.577  393.350   68.262  114.326   22.966  147.690   13.077 -33.36493 26.42770 
1 1 1    9   26    3 o  118.321   12.356  283.956   45.362  188.016   73.586  342.762   57.611   98.568   21.709  138.074   11.805 -39.50626 24.71118 
1 1 1    9   26    5 o   46.897   11.297   37.354   22.813   25.898   34.175   46.561   30.638   43.319   16.348   50.476   15.597 -7.156696 22.59478 
1 1 1    9   26    7 o  288.046   14.526  1585.67  137.860  1459.42  236.566  1650.59  169.643  275.942   24.256  300.150   15.991 -24.20724 29.05261 
1 1 1    9   26    9 o   55.713   12.717   40.329   25.770   23.478   29.345   97.127   53.875   40.581   15.182   70.845   20.406 -30.26406 25.43413 
1 1 1    9   26   11 o  101.185   15.958  200.687   55.469  169.156   73.785  241.666   84.116   91.899   22.821  110.471   22.312 -18.57146 31.91534 
1 1 1    9   26   13 o   34.866   10.129   3.6189   11.401   1.1119   11.850   34.823   41.806   21.608   9.1010   48.124   18.098 -26.51586 20.25758 
1 1 1    9   26   15 o  103.662   14.164  211.171   48.700  210.882   81.356  211.333   60.796  101.255   23.227  106.069   16.217 -4.814560 28.32789 
1 1 1    9   27    0 o  129.348   14.407  320.447   61.143  314.265  102.035  323.911   76.375  126.132   23.759  132.564   16.301 -6.432907 28.81347 
1 1 1    9   27    2 o  122.445   18.185  304.574   77.082  344.817  103.822  255.144  115.065  134.385   21.858  110.506   29.070 23.87868 36.37080 
1 1 1    9   27    4 o   81.422   14.087  132.274   39.687  116.470   64.136  142.080   50.520   76.764   22.309   86.080   17.207 -9.315414 28.17379 
1 1 1    9   27    6 o   99.782   13.363  192.666   44.429  184.137   72.627  197.767   56.163   96.101   21.874  103.463   15.358 -7.362518 26.72699 
1 1 1    9   27    8 o   94.108   14.436  172.109   45.383  189.998   74.880  161.724   57.056   97.094   22.291   91.121   18.350 5.973091 28.87253 
1 1 1    9   27   10 o   63.718   12.595   81.255   29.697   63.342   47.369   92.854   38.118   58.220   19.526   69.216   15.914 -10.99595 25.18973 
1 1 1    9   27   12 o  119.154   16.290  268.121   68.603   0.0000   0.0000  268.121   68.603  ?   ?   119.154   16.290      ?      ? 
1 1 1    9   28    1 f  146.012   14.183  405.851   70.507  432.977  117.640  390.645   88.080  148.205   22.458  143.818   17.328 4.387238 28.36580 
1 1 1    9   28    3 f  100.841   17.001  207.950   59.110  190.320   77.177  232.966   91.933   96.226   23.004  105.456   25.039 -9.229958 34.00184 
1 1 1    9   28    5 o   52.641   12.635   47.104   28.597   71.441   43.511   28.598   37.942   60.547   18.567   44.735   17.142 15.81226 25.27064 
1 1 1    9   28    7 o  135.891   17.957  354.575   86.250   0.0000   0.0000  354.575   86.250  ?   ?   135.891   17.957      ?      ? 
1 1 1   10    0    0 o  452.954   18.677  3671.88  419.571  3671.88  419.571  3671.88  419.571  452.954   26.413  452.954   26.413 -0.000000 0.000000 
1 1 1   10    0    2 o  739.482   23.740  9760.17  873.363  9760.17  873.363  9760.17  873.363  739.482   33.573  739.482   33.573 -0.000000 0.000000 
1 1 1   10    0    4 o  152.051   16.840  438.123  118.616  438.123  118.616  438.123  118.616  152.051   23.815  152.051   23.815 -0.000000 0.000000 
1 1 1   10    0    6 o  1264.89   35.175 28606.73  2216.10 28606.73  2216.10 28606.73  2216.10  1264.89   49.744  1264.89   49.744 -0.000000 0.000000 
1 1 1   10    0    8 o  578.681   20.723  5977.41  595.912  5977.41  595.912  5977.41  595.912  578.681   29.307  578.681   29.307 -0.000000 0.000000 
1 1 1   10    0   10 o  100.459   18.923  212.484   82.101  212.484   82.101  212.484   82.101  100.459   26.761  100.459   26.761 -0.000000 0.000000 
1 1 1   10    0   12 o  379.341   17.676  2580.88  331.820  2580.88  331.820  2580.88  331.820  379.341   24.998  379.341   24.998 -0.000000 0.000000 
1 1 1   10    0   14 o  340.777   11.486  2068.12  194.633  2068.12  194.633  2068.12  194.633  340.777   16.244  340.777   16.244 -0.000000 0.000000 
1 1 1   10    0   16 o  542.782   14.005  5235.88  378.827  5235.88  378.827  5235.88  378.827  542.782   19.807  542.782   19.807 -0.000000 0.000000 
1 1 1   10    0   18 o  150.163   17.106  429.329  118.404  429.329  118.404  429.329  118.404  150.163   24.192  150.163   24.192 -0.000000 0.000000 
1 1 1   10    0   20 o  739.492   16.739  9734.78  617.274  9734.78  617.274  9734.78  617.274  739.492   23.672  739.492   23.672 -0.000000 0.000000 
1 1 1   10    0   22 o   28.970   11.327   20.408   23.978   20.408   23.978   20.408   23.978   28.970   16.019   28.970   16.019 -0.000000 0.000000 
1 1 1   10    0   24 o  189.964   11.249  653.512  105.089  653.512  105.089  653.512  105.089  189.964   15.908  189.964   15.908 -0.000000 0.000000 
1 1 1   10    0   26 o  144.667   10.678  383.359   75.288  383.359   75.288  383.359   75.288  144.667   15.101  144.667   15.101 -0.000000 0.000000 
1 1 1   10    0   28 o  217.819   11.289  856.650  121.390  856.650  121.390  856.650  121.390  217.819   15.965  217.819   15.965 -0.000000 0.000000 
1 1 1   10    0   30 o   95.016   12.970  177.352   54.983  177.352   54.983  177.352   54.983   95.016   18.342   95.016   18.342 -0.000000 0.000000 
1 1 1   10    0   32 o  144.690   18.162  408.762  119.007  408.762  119.007  408.762  119.007  144.690   25.685  144.690   25.685 -0.000000 0.000000 
1 1 1   10    0   34 o   66.552   16.270  103.109   48.782  103.109   48.782  103.109   48.782   66.552   23.010   66.552   23.010 -0.000000 0.000000 
1 1 1   10    0   36 o  220.261   12.038  882.584  130.713  882.584  130.713  882.584  130.713  220.261   17.024  220.261   17.024 -0.000000 0.000000 
1 1 1   10    0   38 o   81.725   18.993  154.350   68.842  154.350   68.842  154.350   68.842   81.725   26.860   81.725   26.860 -0.000000 0.000000 
1 1 1   10    1    1 o  883.647   22.449 13712.54  664.942 14472.73  1151.85 13332.57  814.337  900.849   36.176  866.445   26.592 34.40442 44.89790 
1 1 1   10    1    3 o  539.953   19.814  5179.16  378.032  5319.17  534.697  5039.24  534.538  547.287   27.642  532.620   28.395 14.66687 39.62782 
1 1 1   10    1    5 o  962.938   24.911 16745.93  792.795 15812.06  1373.18 17212.85  970.963  941.208   41.278  984.669   27.899 -43.46118 49.82245 
1 1 1   10    1    7 o  1915.28   44.239 66435.23  2815.78 65699.67  4877.10 66803.00  3448.60  1900.13   72.620  1930.42   50.544 -30.29089 88.47830 
1 1 1   10    1    9 o  221.405   15.581  868.657  121.925  871.055  172.574  866.267  172.281  221.710   22.023  221.100   22.046 0.6107635 31.16122 
1 1 1   10    1   11 o  764.489   21.584 10723.70  539.695  9453.83  934.654 11358.89  661.033  728.556   36.297  800.421   23.366 -71.86493 43.16738 
1 1 1   10    1   13 o  386.776   24.727  2654.60  338.030   0.0000   0.0000  2654.60  338.030  ?   ?   386.776   24.727      ?      ? 
1 1 1   10    1   15 o  510.022   16.621  4588.63  283.176  4703.41  490.813  4531.37  346.698  514.420   26.995  505.623   19.400 8.797577 33.24270 
1 1 1   10    1   17 o  275.005   16.241  1343.42  157.855  1331.93  223.568  1354.83  222.915  273.825   23.100  276.185   22.836 -2.360535 32.48232 
1 1 1   10    1   19 o  389.678   15.463  2732.60  199.210  2605.62  345.811  2795.68  243.711  382.382   25.587  396.973   17.370 -14.59100 30.92585 
1 1 1   10    1   21 o  537.703   19.970  5187.17  379.436  5322.23  536.785  5052.29  536.422  544.802   27.877  530.604   28.603 14.19824 39.94069 
1 1 1   10    1   23 o  329.909   16.809  1956.96  195.371  2140.96  276.836  1774.38  275.761  345.618   22.662  314.200   24.832 31.41797 33.61838 
1 1 1   10    1   25 o  284.669   14.054  1474.23  132.013  1517.19  161.581  1388.00  228.940  291.742   15.670  277.596   23.334 14.14618 28.10737 
1 1 1   10    1   27 o  378.982   14.901  2552.08  189.395  2694.80  327.443  2480.34  232.172  385.788   24.014  372.176   17.650 13.61215 29.80266 
1 1 1   10    1   29 o  189.307   11.347  641.324   75.912  646.933  106.729  635.581  107.994  190.170   15.879  188.445   16.214 1.724503 22.69448 
1 1 1   10    1   31 o  225.283   13.850  909.135  104.286  896.454  127.816  934.387  180.367  223.670   16.168  226.896   22.491 -3.226639 27.69932 
1 1 1   10    1   33 o  185.162   13.387  625.925   82.743  598.545  140.770  640.378  102.277  181.337   21.964  188.987   15.312 -7.649231 26.77400 
1 1 1   10    1   35 o  145.503   11.550  382.280   59.242  409.769   83.283  354.125   84.288  150.930   15.612  140.076   17.025 10.85390 23.09926 
1 1 1   10    1   37 o   84.728   11.161  133.686   32.358  146.976   43.878  117.843   47.909   90.405   13.732   79.050   17.599 11.35492 22.32282 
1 1 1   10    1   39 o   43.873   10.859   31.302   21.047   38.777   28.395   22.186   31.356   46.721   15.092   41.025   15.616 5.696369 21.71739 
1 1 1   10    2    0 o  1006.84   24.778 17916.13  834.360 18540.34  1445.30 17604.12  1021.83  1018.55   40.147  995.141   29.052 23.40552 49.55624 
1 1 1   10    2    2 f  532.343   17.344  5094.62  305.423  4833.97  529.069  5224.90  374.043  521.612   28.698  543.073   19.487 -21.46118 34.68845 
1 1 1   10    2    4 o  912.437   24.130 15084.23  726.191 14046.30  1257.81 15603.18  889.395  887.258   40.109  937.616   26.838 -50.35809 48.26007 
1 1 1   10    2    6 o  513.054   17.558  4841.90  293.852  4195.54  508.922  5165.16  359.909  486.030   29.626  540.078   18.855 -54.04803 35.11657 
1 1 1   10    2    8 o  1720.35   40.425 53740.27  2303.69 51833.33  3990.13 54693.71  2821.42  1691.65   66.736  1749.06   45.640 -57.41504 80.84935 
1 1 1   10    2   10 o  580.524   20.584  5989.00  421.894  5671.75  596.638  6306.27  596.657  565.061   29.874  595.986   28.325 -30.92487 41.16754 
1 1 1   10    2   12 o  747.381   33.574  9942.69  886.890  9942.69  886.890   0.0000   0.0000  747.381   33.574  ?   ?       ?      ? 
1 1 1   10    2   14 o  571.558   20.370  5790.81  411.507   0.0000   0.0000  5790.81  411.507  ?   ?   571.558   20.370      ?      ? 
1 1 1   10    2   16 o  216.964   15.660  833.704  120.090   0.0000   0.0000  833.704  120.090  ?   ?   216.964   15.660      ?      ? 
1 1 1   10    2   18 o  682.761   31.935  8332.31  770.648  8332.31  770.648   0.0000   0.0000  682.761   31.935  ?   ?       ?      ? 
1 1 1   10    2   20 o  531.128   16.418  4963.55  292.226  5230.37  506.245  4830.21  357.868  541.017   26.475  521.239   19.425 19.77795 32.83661 
1 1 1   10    2   22 o  285.638   16.389  1460.44  165.418  1502.03  234.418  1419.20  233.458  289.733   22.891  281.543   23.461 8.189423 32.77846 
1 1 1   10    2   24 o  203.556   15.685  744.688  112.617  689.322  158.971  800.464  159.559  195.838   22.967  211.274   21.368 -15.43620 31.36960 
1 1 1   10    2   26 o  201.867   13.099  697.453   89.979  850.415  154.436  618.846  110.711  217.641   20.077  186.093   16.832 31.54796 26.19899 
1 1 1   10    2   28 o   50.147   11.492   34.671   25.197   73.665   38.981   6.6845   33.024   63.093   17.068   37.201   15.394 25.89225 22.98429 
1 1 1   10    2   30 o  164.023   13.152  506.386   70.957  415.004  118.495  557.473   88.599  151.347   22.152  176.699   14.186 -25.35129 26.30496 
1 1 1   10    2   32 o  190.952   13.827  650.324   89.479  686.902  151.235  630.624  110.990  194.492   22.000  187.412   16.756 7.079773 27.65455 
1 1 1   10    2   34 f   44.616   11.067   30.048   21.891   19.040   29.696   43.150   32.398   39.511   15.159   49.721   16.127 -10.21001 22.13370 
1 1 1   10    2   36 o  154.329   17.744  452.468   92.964  475.593  123.500  422.233  141.215  160.910   21.715  147.748   28.068 13.16183 35.48772 
1 1 1   10    2   38 o  156.899   16.065  458.262   88.721  445.996  119.548  473.300  132.370  154.886   21.838  158.911   23.568 -4.025208 32.12968 
1 1 1   10    2   40 o   49.165   13.577   32.355   30.196   37.354   33.849   12.869   66.826   47.211   16.486   51.119   21.576 -3.907787 27.15334 
1 1 1   10    3    1 o  436.554   12.856  3375.11  198.368  3380.83  280.538  3369.39  280.530  436.925   18.166  436.183   18.197 0.7419128 25.71240 
1 1 1   10    3    3 o  210.889   13.705  804.314   95.167  740.919  164.984  835.925  116.503  204.438   22.833  217.339   15.166 -12.90182 27.41089 
1 1 1   10    3    5 o  1042.11   28.298 20584.45  945.144 16239.43  1636.95 22757.31  1157.59  952.150   48.642  1132.07   28.931 -179.9180 56.59524 
1 1 1   10    3    7 f  1308.50   31.416 30733.89  1365.63 30166.90  2365.43 31017.35  1672.51  1296.91   51.604  1320.08   35.846 -23.17664 62.83235 
1 1 1   10    3    9 o  1642.22   38.463 48577.68  2100.17 48114.44  3637.71 48809.27  2572.13  1631.64   63.079  1652.80   44.030 -21.15942 76.92581 
1 1 1   10    3   11 o  594.422   29.443  6277.75  618.583  6277.75  618.583   0.0000   0.0000  594.422   29.443  ?   ?       ?      ? 
1 1 1   10    3   13 o  454.029   18.316  3660.67  293.820  3779.26  416.210  3542.85  414.843  461.391   25.522  446.667   26.277 14.72473 36.63182 
1 1 1   10    3   15 o  764.749   24.081 10471.51  647.160  9189.37  915.014 11754.83  915.432  717.294   36.092  812.204   31.889 -94.91016 48.16153 
1 1 1   10    3   17 o  288.559   16.379  1487.87  165.347  1238.85  232.848  1741.17  234.838  263.939   24.960  313.178   21.216 -49.23923 32.75843 
1 1 1   10    3   19 o  208.611   16.075  776.205  118.175  842.506  166.876  709.507  167.376  217.633   21.694  199.590   23.726 18.04260 32.14962 
1 1 1   10    3   21 o  572.075   20.192  5905.34  405.408  5105.57  572.560  6709.45  574.110  532.426   30.426  611.723   26.553 -79.29718 40.38330 
1 1 1   10    3   23 o  257.216   15.897  1187.45  144.075  1071.94  202.096  1306.82  205.451  244.329   23.403  270.103   21.521 -25.77362 31.79341 
1 1 1   10    3   25 o  113.304   15.774  232.979   61.805  185.660   83.655  289.852   91.712   99.506   24.052  127.102   20.415 -27.59623 31.54815 
1 1 1   10    3   27 o   40.867   11.608   8.3966   21.257   2.0356   23.746   34.065   47.700   30.680   12.901   51.055   19.302 -20.37428 23.21655 
1 1 1   10    3   29 o   87.121   17.083  144.526   54.548  162.141   70.596  118.424   85.932   92.890   21.866   81.353   26.253 11.53710 34.16586 
1 1 1   10    3   31 o   85.162   16.401  128.058   48.790  107.707   59.923  168.085   84.040   76.061   21.393   94.264   24.866 -18.20299 32.80200 
1 1 1   10    3   33 o  145.192   21.553  383.522  110.603  383.522  110.603   0.0000   0.0000  145.192   21.553  ?   ?       ?      ? 
1 1 1   10    3   35 o   99.856   15.545  179.423   54.864  179.423   54.864   0.0000   0.0000   99.856   15.545  ?   ?       ?      ? 
1 1 1   10    3   37 o  137.998   15.847  328.863   65.354  301.634   74.544  419.328  135.874  128.992   16.350  147.003   27.151 -18.01132 31.69422 
1 1 1   10    3   39 o   85.064   18.318  140.991   56.642  144.697   66.553  131.251  107.882   86.182   21.826   83.946   29.425 2.236176 36.63610 
1 1 1   10    4    0 o  735.243   16.681  9586.90  433.436  9408.73  612.967  9765.09  612.976  728.386   23.810  742.099   23.370 -13.71332 33.36269 
1 1 1   10    4    2 o  998.673   20.691 17714.74  730.325 17859.57  1032.83 17569.90  1032.83  1002.78   29.141  994.570   29.382 8.206421 41.38220 
1 1 1   10    4    4 o  632.898   15.277  7099.97  341.561  7357.03  483.064  6842.96  483.016  644.388   21.210  621.407   21.992 22.98083 30.55329 
1 1 1   10    4    6 o  665.293   22.192  7865.70  521.778  7737.23  738.124  7994.02  737.689  659.832   31.650  670.754   31.116 -10.92242 44.38427 
1 1 1   10    4    8 o  1089.67   26.144 21206.21  947.472 20966.65  1641.20 21325.95  1160.36  1083.60   42.852  1095.73   29.962 -12.13745 52.28794 
1 1 1   10    4   10 o  671.619   19.586  8235.41  431.359  7377.51  747.190  8664.27  528.286  644.010   32.826  699.228   21.376 -55.21802 39.17253 
1 1 1   10    4   12 o  186.098   15.037  658.390   89.111  503.043  154.617  735.656  109.043  168.328   25.988  203.869   15.133 -35.54181 30.07339 
1 1 1   10    4   14 f  285.711   17.324  1460.00  173.237  1233.82  246.063  1682.29  243.938  263.500   26.421  307.922   22.414 -44.42242 34.64739 
1 1 1   10    4   16 o  310.589   23.568  1713.95  258.715   0.0000   0.0000  1713.95  258.715  ?   ?   310.589   23.568      ?      ? 
1 1 1   10    4   18 o  690.845   22.670  8560.65  551.788  7781.47  780.054  9340.99  780.638  658.914   33.495  722.776   30.558 -63.86237 45.33969 
1 1 1   10    4   20 o  335.931   16.951  2015.17  201.227  1967.32  283.865  2063.50  285.296  331.889   24.199  339.972   23.743 -8.083038 33.90159 
1 1 1   10    4   22 o  246.378   15.771  1089.60  136.513  946.338  191.684  1237.05  194.464  229.708   23.610  263.047   20.916 -33.33815 31.54215 
1 1 1   10    4   24 o   87.279   16.598  143.391   55.105  197.810   74.977   79.467   81.262  103.170   21.268   71.388   25.487 31.78233 33.19544 
1 1 1   10    4   26 o   52.602   13.388   40.180   30.157   36.068   36.609   48.861   53.194   48.246   17.119   56.958   20.587 -8.712120 26.77522 
1 1 1   10    4   28 o  152.619   14.510  415.555   77.308  332.878  104.216  516.721  115.281  135.730   21.724  169.509   19.242 -33.77843 29.02020 
1 1 1   10    4   30 o   91.092   15.096  154.552   42.786  157.426   48.875  145.124   88.515   93.849   14.734   88.335   26.353 5.514420 30.19255 
1 1 1   10    4   32 f   64.257   15.583   67.565   35.343   69.883   38.556   55.369   88.439   61.445   17.117   67.069   26.045 -5.623989 31.16635 
1 1 1   10    4   34 o  172.897   14.973  536.589   91.499  536.589   91.499   0.0000   0.0000  172.897   14.973  ?   ?       ?      ? 
1 1 1   10    4   36 o   91.593   13.995  155.223   42.218  147.456   51.953  170.324   72.437   88.795   17.175   94.391   22.102 -5.596031 27.99078 
1 1 1   10    4   38 o   53.411   11.883   51.249   25.687   34.898   37.239   66.092   35.480   47.512   17.217   59.310   16.383 -11.79761 23.76631 
1 1 1   10    4   40 o   64.436   16.839   62.750   39.714   60.076   43.003   78.252  103.535   57.168   18.582   71.703   28.087 -14.53452 33.67762 
1 1 1   10    5    1 o  904.539   19.204 14521.02  613.967 14485.53  868.295 14556.52  868.265  903.428   27.193  905.649   27.125 -2.220642 38.40861 
1 1 1   10    5    3 o  792.010   20.907 11014.87  554.670 11530.78  960.595 10756.82  679.372  805.176   33.754  778.844   24.680 26.33124 41.81429 
1 1 1   10    5    5 o  1041.73   24.009 18676.60  844.736 17317.23  1034.49 21396.76  1463.38  987.481   29.640  1095.98   37.778 -108.4944 48.01768 
1 1 1   10    5    7 o  587.428   14.494  6145.52  298.473  5244.71  422.041  7046.87  422.168  544.029   21.949  630.828   18.935 -86.79913 28.98742 
1 1 1   10    5    9 o  365.607   13.948  2344.06  170.600  2440.79  295.948  2295.93  208.780  371.066   22.565  360.148   16.402 10.91843 27.89645 
1 1 1   10    5   11 o  259.101   16.499  1196.09  150.141  1044.00  212.708  1347.11  211.956  242.550   24.812  275.652   21.755 -33.10170 32.99895 
1 1 1   10    5   13 o  325.365   16.261  2028.78  167.655  1507.94  290.500  2288.89  205.295  291.207   28.224  359.523   16.156 -68.31601 32.52121 
1 1 1   10    5   15 o  970.681   40.404 16908.96  1386.20   0.0000   0.0000 16908.96  1386.20  ?   ?   970.681   40.404      ?      ? 
1 1 1   10    5   17 o  385.304   17.647  2675.82  235.541  2065.45  332.535  3290.39  333.677  340.335   27.645  430.273   21.941 -89.93811 35.29369 
1 1 1   10    5   19 o   91.404   15.799  151.829   52.475   90.192   71.896  222.095   76.763   72.824   24.045  109.983   20.502 -37.15926 31.59844 
1 1 1   10    5   21 o   83.796   23.861  128.951   74.073   0.0000   0.0000  128.951   74.073  ?   ?    83.796   23.861      ?      ? 
1 1 1   10    5   23 f  154.872   18.658  458.660   95.748  609.546  133.130  296.984  137.808  184.477   20.418  125.267   31.233 59.20980 37.31520 
1 1 1   10    5   25 o  320.975   16.207  1859.92  183.222  1669.43  256.941  2057.00  261.346  303.949   23.917  338.001   21.876 -34.05182 32.41320 
1 1 1   10    5   27 o  378.123   14.479  2503.69  183.732  2357.99  224.008  2803.21  321.170  362.751   17.472  393.494   23.093 -30.74374 28.95748 
1 1 1   10    5   29 o  158.781   13.108  420.687   68.332  371.611   80.828  543.628  127.932  144.087   15.871  173.475   20.865 -29.38698 26.21562 
1 1 1   10    5   31 o   42.737   11.625   18.319   26.590   39.592   33.746 -16.5178   43.185   48.678   16.480   36.795   16.399 11.88313 23.24913 
1 1 1   10    5   33 o  203.968   13.763  755.771   95.508  745.659  157.286  761.677  120.207  202.187   22.010  205.749   16.530 -3.561920 27.52585 
1 1 1   10    5   35 o  167.725   13.091  541.559   72.569  394.829  114.441  640.242   93.852  146.613   22.084  188.837   14.062 -42.22412 26.18117 
1 1 1   10    5   37 o   63.418   13.059   75.357   31.442   60.269   45.677   88.945   43.346   58.276   19.162   68.560   17.749 -10.28439 26.11899 
1 1 1   10    5   39 o  104.127   19.010  191.177   62.161  162.708   70.844  286.429  129.585   91.026   22.215  117.228   30.855 -26.20160 38.02020 
1 1 1   10    5   41 o   85.753   17.538   88.994   41.415   63.004   44.124  281.384  120.049   57.871   18.824  113.635   29.596 -55.76344 35.07520 
1 1 1   10    6    0 o  548.205   18.413  5509.99  329.951  4841.50  571.645  5843.96  404.052  522.000   30.984  574.411   19.902 -52.41162 36.82507 
1 1 1   10    6    2 o  691.441   22.672  8473.25  554.059   0.0000   0.0000  8473.25  554.059  ?   ?   691.441   22.672      ?      ? 
1 1 1   10    6    4 o  1179.21   29.268 25306.00  1136.81 23394.94  1969.21 26261.24  1392.24  1142.98   48.745  1215.45   32.408 -72.46667 58.53558 
1 1 1   10    6    6 o  633.481   19.070  7224.50  399.289  6824.32  691.851  7424.37  488.934  619.647   31.590  647.315   21.370 -27.66870 38.13947 
1 1 1   10    6    8 f  333.683   14.804  2003.91  163.098  1884.57  282.897  2063.32  199.611  325.958   24.555  341.409   16.542 -15.45111 29.60757 
1 1 1   10    6   10 o  494.083   19.095  4341.19  332.775  4020.73  470.491  4661.98  470.739  475.724   27.982  512.443   25.991 -36.71881 38.19015 
1 1 1   10    6   12 o  515.178   14.315  4705.27  260.649  4699.03  368.524  4711.52  368.703  514.836   20.252  515.521   20.235 -0.6851196 28.62914 
1 1 1   10    6   14 o  1214.51   30.215 27121.52  1205.77 24763.59  2088.40 28300.56  1476.77  1169.97   50.503  1259.05   33.186 -89.07263 60.43050 
1 1 1   10    6   16 o  726.733   23.148  9390.20  594.574   0.0000   0.0000  9390.20  594.574  ?   ?   726.733   23.148      ?      ? 
1 1 1   10    6   18 o  561.828   16.358  5509.81  309.000  5994.88  535.339  5267.45  378.398  579.346   26.144  544.310   19.669 35.03595 32.71658 
1 1 1   10    6   20 o  113.251   15.933  233.923   62.387  158.798   85.538  319.306   91.190   92.649   25.375  133.854   19.275 -41.20464 31.86558 
1 1 1   10    6   22 o  419.436   18.290  3173.69  271.111  3221.09  382.358  3125.75  384.469  422.676   25.594  416.196   26.136 6.479034 36.58096 
1 1 1   10    6   24 o  215.606   16.082  838.200  122.420  856.659  170.488  818.551  175.894  218.172   22.109  213.040   23.360 5.131622 32.16365 
1 1 1   10    6   26 o   38.540   10.948   15.814   20.579   25.748   22.305 -41.0274   53.355   39.510   13.398   37.570   17.318 1.939453 21.89607 
1 1 1   10    6   28 o   95.846   16.010  167.813   52.581  145.094   67.438  203.040   83.973   87.879   21.814  103.812   23.441 -15.93266 32.02040 
1 1 1   10    6   30 o  158.167   14.001  452.179   76.438  333.524  104.865  586.691  111.652  135.625   21.876  180.709   17.481 -45.08438 28.00266 
1 1 1   10    6   32 o  179.060   15.414  571.943   96.561  492.604  126.546  682.525  149.399  164.503   21.765  193.617   21.831 -29.11465 30.82723 
1 1 1   10    6   34 o  191.133   15.316  635.910  100.925  846.695  165.474  511.054  127.355  215.098   21.766  167.167   21.555 47.93127 30.63260 
1 1 1   10    6   36 o  130.543   14.220  309.305   64.915  336.143  100.817  290.298   84.842  135.078   21.117  126.008   19.050 9.070038 28.43984 
1 1 1   10    6   38 o   46.819   14.371   19.165   29.452   29.697   30.283 -164.8136  126.567   43.422   15.553   50.217   24.171 -6.795887 28.74251 
1 1 1   10    6   40 o   88.893   33.324  157.298  141.515   0.0000   0.0000  157.298  141.515  ?   ?    88.893   33.324      ?      ? 
1 1 1   10    7    1 f  1215.75   31.459 27313.23  1248.80 23922.15  2163.17 29008.31  1529.39  1154.41   53.017  1277.09   33.882 -122.6877 62.91888 
1 1 1   10    7    3 o  1187.00   30.012 25509.84  1177.30 24121.48  2039.45 26203.71  1441.79  1160.20   49.735  1213.81   33.607 -53.61084 60.02497 
1 1 1   10    7    5 o  1052.37   25.309 19737.54  886.633 19662.23  1536.04 19775.18  1085.78  1049.54   41.408  1055.21   29.113 -5.671387 50.61789 
1 1 1   10    7    7 o  421.600   18.183  3176.43  268.032  2642.90  378.991  3710.31  379.117  385.784   27.795  457.416   23.450 -71.63190 36.36555 
1 1 1   10    7    9 o  641.590   21.709  7321.85  492.290  7332.77  696.239  7310.92  696.167  642.071   30.680  641.108   30.723 0.9628906 43.41836 
1 1 1   10    7   11 o  302.731   16.615  1627.23  177.700  1578.08  252.046  1675.81  250.572  298.160   23.917  307.302   23.070 -9.142059 33.23042 
1 1 1   10    7   13 o  320.376   15.575  1892.21  162.529  1632.55  281.817  2021.61  198.948  302.965   26.318  337.787   16.664 -34.82217 31.15009 
1 1 1   10    7   15 o  315.906   15.784  1782.34  174.540  2081.86  248.261  1489.59  245.438  342.419   20.513  289.394   23.996 53.02481 31.56859 
1 1 1   10    7   17 f  368.003   13.140  2317.56  163.618  2707.82  283.167  2121.96  200.471  390.195   20.532  345.812   16.402 44.38306 26.27928 
1 1 1   10    7   19 o  268.773   12.614  1268.81  113.930  1339.02  196.323  1233.16  139.895  274.036   20.270  263.510   15.021 10.52600 25.22836 
1 1 1   10    7   21 o  228.150   22.895  934.214  184.623   0.0000   0.0000  934.214  184.623  ?   ?   228.150   22.895      ?      ? 
1 1 1   10    7   23 o   94.808   16.686  168.613   55.365  172.069   73.374  164.044   84.369   95.962   22.091   93.655   25.015 2.306114 33.37270 
1 1 1   10    7   25 o  203.763   14.850  746.500  106.194  632.986  146.639  871.686  153.993  187.285   22.153  220.242   19.783 -32.95677 29.70000 
1 1 1   10    7   27 o  107.373   16.241  210.403   58.909  182.601   75.652  253.227   93.891   98.594   22.239  116.152   23.674 -17.55795 32.48117 
1 1 1   10    7   29 o   61.754   19.125   68.578   46.035   68.578   46.035   0.0000   0.0000   61.754   19.125  ?   ?       ?      ? 
1 1 1   10    7   31 o  148.601   13.760  402.846   65.666  234.617   87.672  617.817   99.107  111.521   23.006  185.681   15.101 -74.15989 27.51975 
1 1 1   10    7   33 o  121.353   30.560  287.745  130.997   0.0000   0.0000  287.745  130.997  ?   ?   121.353   30.560      ?      ? 
1 1 1   10    7   35 o   78.392   23.451  115.762   70.025   0.0000   0.0000  115.762   70.025  ?   ?    78.392   23.451      ?      ? 
1 1 1   10    7   41 o   31.836   12.395   12.205   20.070   12.205   20.070   0.0000   0.0000   31.836   12.395  ?   ?       ?      ? 
1 1 1   10    8    0 o  1200.67   33.702 25812.22  1429.81 25124.25  2022.14 26500.05  2021.96  1184.46   48.303  1216.88   47.012 -32.42139 67.40352 
1 1 1   10    8    2 o  741.752   20.711  9885.02  508.553  9443.37  881.178 10105.60  622.728  728.508   34.222  754.996   23.336 -26.48810 41.42165 
1 1 1   10    8    4 o  760.539   24.578 10306.59  659.806  9705.04  933.550 10907.00  932.664  738.179   35.781  782.899   33.705 -44.71967 49.15640 
1 1 1   10    8    6 o  555.608   18.802  5730.91  338.858  4814.48  587.073  6188.77  414.959  520.207   31.930  591.008   19.865 -70.80054 37.60497 
1 1 1   10    8    8 o  579.166   20.555  5963.51  420.747  6022.95  595.229  5904.16  594.825  582.066   28.933  576.266   29.204 5.800598 41.10962 
1 1 1   10    8   10 o  398.680   14.271  2691.10  192.706  3260.64  334.436  2408.02  235.783  428.708   22.071  368.652   18.096 60.05594 28.54127 
1 1 1   10    8   12 o  313.185   17.271  1753.10  189.624  1501.01  268.675  2003.31  267.665  290.492   26.168  335.877   22.547 -45.38461 34.54192 
1 1 1   10    8   14 o  736.132   18.312  9235.13  456.635 11095.52  791.337  8306.43  559.112  788.760   28.385  683.504   23.144 105.2559 36.62484 
1 1 1   10    8   16 o  830.375   36.316 12429.07  1065.84   0.0000   0.0000 12429.07  1065.84  ?   ?   830.375   36.316      ?      ? 
1 1 1   10    8   18 o  187.500   15.151  627.932  100.153  684.110  142.528  573.135  140.764  195.862   20.589  179.139   22.232 16.72292 30.30123 
1 1 1   10    8   20 o   70.635   14.252   90.346   38.525  120.723   54.330   59.625   54.637   80.622   19.319   60.647   20.958 19.97473 28.50395 
1 1 1   10    8   22 o  146.940   13.027  399.306   63.275  346.307  106.739  428.021   78.568  138.819   21.755  155.060   14.336 -16.24115 26.05351 
1 1 1   10    8   24 o  111.950   22.345  233.742   85.317  233.742   85.317   0.0000   0.0000  111.950   22.345  ?   ?       ?      ? 
1 1 1   10    8   30 o  204.099   23.053  759.284  166.302   0.0000   0.0000  759.284  166.302  ?   ?   204.099   23.053      ?      ? 
1 1 1   10    8   32 o  142.528   23.518  372.641  118.476   0.0000   0.0000  372.641  118.476  ?   ?   142.528   23.518      ?      ? 
1 1 1   10    8   34 o   98.480   22.307  185.118   75.845  185.118   75.845   0.0000   0.0000   98.480   22.307  ?   ?       ?      ? 
1 1 1   10    8   36 o  157.126   17.141  471.638   92.379  511.508  127.875  428.116  133.602  165.901   21.808  148.351   26.450 17.54930 34.28111 
1 1 1   10    8   38 o   65.324   17.212   54.675   36.796   48.740   38.977  103.300  111.568   52.590   17.712   78.058   29.518 -25.46854 34.42450 
1 1 1   10    8   40 o   31.036   12.153   11.047   19.379   11.047   19.379   0.0000   0.0000   31.036   12.153  ?   ?       ?      ? 
1 1 1   10    9    1 o  740.463   23.752  9775.94  619.815  8924.41  876.584 10627.35  876.519  707.929   35.034  772.998   32.082 -65.06934 47.50378 
1 1 1   10    9    3 o  399.293   17.701  2829.82  249.716  2743.66  353.236  2915.91  353.067  393.190   25.418  405.396   24.641 -12.20593 35.40131 
1 1 1   10    9    5 o  258.055   15.867  1184.45  143.985  1325.74  204.094  1044.46  203.161  273.473   21.115  242.638   23.690 30.83508 31.73421 
1 1 1   10    9    7 o  761.258   23.906 10330.89  643.172 10496.00  910.096 10166.15  909.071  767.383   33.555  755.132   34.061 12.25171 47.81277 
1 1 1   10    9    9 o   74.389   13.240  100.848   33.266  102.600   58.288  100.001   40.512   75.052   21.096   73.726   16.006 1.325661 26.48060 
1 1 1   10    9   11 o  599.731   17.764  6243.65  358.665  6888.46  621.465  5921.62  439.189  621.906   28.273  577.556   21.515 44.34937 35.52813 
1 1 1   10    9   13 o  588.328   18.562  6144.25  364.365  6236.65  631.247  6098.08  446.203  590.851   30.227  585.804   21.551 5.046936 37.12312 
1 1 1   10    9   15 o  159.975   14.134  480.978   73.071  385.940  125.510  529.707   89.872  147.111   24.139  172.838   14.712 -25.72691 28.26849 
1 1 1   10    9   17 o  487.719   16.735  4229.33  288.477   0.0000   0.0000  4229.33  288.477  ?   ?   487.719   16.735      ?      ? 
1 1 1   10    9   19 o  415.194   17.889  3103.11  262.444  3010.72  369.830  3196.83  372.490  408.880   25.591  421.508   25.003 -12.62756 35.77755 
1 1 1   10    9   21 o  389.404   16.862  2706.71  232.073   0.0000   0.0000  2706.71  232.073  ?   ?   389.404   16.862      ?      ? 
1 1 1   10    9   23 o  134.420   21.497  325.477  102.133   0.0000   0.0000  325.477  102.133  ?   ?   134.420   21.497      ?      ? 
1 1 1   10    9   27 o  152.367   21.485  420.092  115.706  420.092  115.706   0.0000   0.0000  152.367   21.485  ?   ?       ?      ? 
1 1 1   10    9   29 o  104.277   22.284  204.674   79.640  204.674   79.640   0.0000   0.0000  104.277   22.284  ?   ?       ?      ? 
1 1 1   10    9   31 o   63.230   15.999   65.957   44.772   86.086   51.150   0.0000   92.589   68.214   19.951   58.245   25.016 9.969315 31.99738 
1 1 1   10    9   33 o  137.204   21.562  345.148  104.560  345.148  104.560   0.0000   0.0000  137.204   21.562  ?   ?       ?      ? 
1 1 1   10    9   35 o  135.822   16.756  350.004   78.254  357.168  106.223  341.503  115.720  138.877   21.641  132.766   25.588 6.110855 33.51230 
1 1 1   10    9   37 o  120.008   22.926  280.584   93.697  280.584   93.697   0.0000   0.0000  120.008   22.926  ?   ?       ?      ? 
1 1 1   10    9   39 o  146.506   17.946  410.294   86.937  355.585  106.153  521.737  151.506  135.073   22.235  157.940   28.174 -22.86713 35.89111 
1 1 1   10   10    0 o  610.430   21.173  6626.19  456.734  6485.04  646.070  6767.20  645.768  603.890   30.269  616.970   29.614 -13.07959 42.34615 
1 1 1   10   10    2 o  624.851   21.475  6947.07  474.028  6693.29  670.523  7200.63  670.230  613.364   30.930  636.338   29.800 -22.97430 42.94976 
1 1 1   10   10    4 o   80.557   15.412  118.701   45.337   97.517   64.104  139.902   64.129   74.018   22.505   87.097   21.063 -13.07946 30.82398 
1 1 1   10   10    6 o  460.797   18.666  3779.99  303.198  4096.17  428.808  3463.87  428.766  480.208   25.265  441.385   27.484 38.82312 37.33205 
1 1 1   10   10    8 o  390.006   17.862  2718.58  244.170  3118.16  345.236  2318.66  345.382  419.006   23.312  361.005   27.069 58.00082 35.72324 
1 1 1   10   10   10 o  565.067   18.575  5781.22  346.329  5399.99  599.950  5971.75  424.133  550.099   30.857  580.035   20.688 -29.93616 37.15062 
1 1 1   10   10   12 f  601.835   18.099  6319.04  366.349  6890.99  634.507  6033.03  448.694  621.149   28.901  582.521   21.793 38.62762 36.19715 
1 1 1   10   10   14 o  188.240   13.734  627.437   86.468  638.410  149.185  621.887  106.109  189.288   22.299  187.192   16.038 2.096268 27.46719 
1 1 1   10   10   16 o  325.969   17.544  1890.87  202.125   0.0000   0.0000  1890.87  202.125  ?   ?   325.969   17.544      ?      ? 
1 1 1   10   10   18 o  137.500   21.482  338.676  104.398   0.0000   0.0000  338.676  104.398  ?   ?   137.500   21.482      ?      ? 
1 1 1   10   10   20 o   81.395   21.403  123.277   62.392   0.0000   0.0000  123.277   62.392  ?   ?    81.395   21.403      ?      ? 
1 1 1   10   10   22 o  206.893   16.054  776.211  116.561  878.911  164.657  673.048  165.028  220.974   21.082  192.812   24.216 28.16203 32.10736 
1 1 1   10   10   24 o   52.482   12.519   46.189   27.528   46.793   38.280   45.543   39.615   52.554   17.553   52.410   17.855 0.1446838 25.03865 
1 1 1   10   10   26 o  181.605   13.519  604.198   82.347  558.796  137.456  629.615  102.846  175.617   22.145  187.594   15.511 -11.97713 27.03711 
1 1 1   10   10   28 o  269.154   17.056  1325.00  161.827  1379.99  224.201  1265.19  233.817  275.372   23.035  262.936   25.160 12.43533 34.11224 
1 1 1   10   10   32 o   95.149   13.534  157.758   41.813  211.684   74.510  132.971   50.517  106.041   20.623   84.257   17.534 21.78331 27.06895 
1 1 1   10   10   34 o   47.058   12.684   25.883   31.486   50.019   38.541 -22.5446   54.594   53.417   17.603   40.699   18.267 12.71748 25.36825 
1 1 1   10   10   36 o   85.577   18.079  151.951   70.067  226.927   83.546 -25.8162  128.644  107.995   22.613   63.160   28.215 44.83505 36.15870 
1 1 1   10   10   38 f   99.524   22.797  198.943   78.468  198.943   78.468   0.0000   0.0000   99.524   22.797  ?   ?       ?      ? 
1 1 1   10   11    1 o  595.359   20.872  6311.05  438.758  5983.65  620.417  6638.62  620.578  579.797   30.275  610.921   28.740 -31.12476 41.74439 
1 1 1   10   11    3 o  614.193   21.170  6731.55  457.829  7403.11  647.660  6060.78  647.277  645.110   28.405  583.278   31.397 61.83203 42.33957 
1 1 1   10   11    5 o  788.925   24.795 11151.01  688.573 12296.09  973.809 10006.02  973.770  829.989   33.196  747.861   36.840 82.12817 49.58944 
1 1 1   10   11    7 o  491.147   19.189  4295.57  332.934  4448.35  470.615  4142.49  471.066  499.959   26.632  482.336   27.632 17.62268 38.37726 
1 1 1   10   11    9 o  649.171   22.181  7540.81  508.012  8056.94  718.154  7023.86  718.721  671.686   30.250  626.655   32.450 45.03101 44.36296 
1 1 1   10   11   11 o  377.324   24.746  2537.79  330.013   0.0000   0.0000  2537.79  330.013  ?   ?   377.324   24.746      ?      ? 
1 1 1   10   11   13 o  452.357   26.197  3661.41  418.846   0.0000   0.0000  3661.41  418.846  ?   ?   452.357   26.197      ?      ? 
1 1 1   10   11   15 o  452.359   26.273  3676.73  420.065   0.0000   0.0000  3676.73  420.065  ?   ?   452.359   26.273      ?      ? 
1 1 1   10   11   17 o  132.548   15.340  322.560   69.120  257.859   97.369  388.282   98.135  117.669   24.219  147.428   18.833 -29.75951 30.68012 
1 1 1   10   11   19 o  184.056   15.423  608.992  100.331  612.460  141.615  605.496  142.166  184.597   21.705  183.514   21.918 1.082794 30.84676 
1 1 1   10   11   21 o  378.897   15.433  2663.21  191.771  2372.54  330.711  2810.47  235.387  361.348   25.894  396.445   16.799 -35.09732 30.86600 
1 1 1   10   11   23 o  165.737   13.231  508.227   72.615  448.011  122.621  540.749   90.115  157.428   22.038  174.047   14.649 -16.61899 26.46230 
1 1 1   10   11   25 o  106.543   13.482  212.346   47.772  189.943   76.637  226.584   61.094  100.535   22.164  112.551   15.358 -12.01640 26.96487 
1 1 1   10   11   27 o  137.101   14.079  330.611   66.542  379.596  109.372  301.823   83.845  144.724   21.382  129.479   18.321 15.24535 28.15779 
1 1 1   10   11   29 o  164.593   13.992  482.274   79.168  527.815  130.146  455.524   99.745  170.255   21.628  158.932   17.757 11.32329 27.98320 
1 1 1   10   11   31 o  128.955   16.278  296.969   71.094  254.338   89.228  371.088  117.652  115.939   22.587  141.971   23.447 -26.03220 32.55610 
1 1 1   10   11   33 o  278.162   13.841  1414.62  129.928  1425.44  218.865  1408.72  161.455  277.520   22.313  278.805   16.384 -1.284363 27.68268 
1 1 1   10   11   35 o   54.801   18.132   53.258   40.878   53.258   40.878   0.0000   0.0000   54.801   18.132  ?   ?       ?      ? 
1 1 1   10   11   37 o  106.214   19.175  229.126   68.692  221.452   83.001  245.809  122.378  105.321   22.946  107.108   30.727 -1.786659 38.34906 
1 1 1   10   11   39 o   57.022   15.402   51.899   46.354   84.370   50.503 -121.7217  116.781   65.225   20.004   48.819   23.425 16.40634 30.80388 
1 1 1   10   12    0 o  629.698   30.443  7066.94  677.544  7066.94  677.544   0.0000   0.0000  629.698   30.443  ?   ?       ?      ? 
1 1 1   10   12    2 o  120.032   16.549  265.645   68.233  334.286   95.813  195.011   97.195  137.278   19.747  102.785   26.563 34.49355 33.09860 
1 1 1   10   12    4 o  361.184   24.363  2319.14  311.018   0.0000   0.0000  2319.14  311.018  ?   ?   361.184   24.363      ?      ? 
1 1 1   10   12    6 o  100.537   23.416  186.914   81.656   0.0000   0.0000  186.914   81.656  ?   ?   100.537   23.416      ?      ? 
1 1 1   10   12   12 o  390.661   24.928  2731.79  344.192  2731.79  344.192   0.0000   0.0000  390.661   24.928  ?   ?       ?      ? 
1 1 1   10   12   14 o  288.676   16.348  1493.60  166.784  1515.28  235.861  1471.92  235.875  290.801   22.948  286.551   23.289 4.250183 32.69560 
1 1 1   10   12   16 o  190.861   13.746  642.418   88.277  681.443  151.816  622.483  108.507  194.851   22.044  186.871   16.428 7.980026 27.49256 
1 1 1   10   12   18 o  222.380   22.241  890.051  174.809   0.0000   0.0000  890.051  174.809  ?   ?   222.380   22.241      ?      ? 
1 1 1   10   12   20 o  155.746   13.026  455.052   66.675  374.062  111.702  499.880   83.104  144.012   21.945  167.481   14.039 -23.46870 26.05165 
1 1 1   10   12   22 o  282.325   14.199  1432.02  134.331  1446.93  230.189  1424.31  165.418  282.595   23.046  282.055   16.593 0.5398254 28.39832 
1 1 1   10   12   24 o   64.483   11.425   81.668   25.352   57.902   44.957   92.750   30.699   57.858   19.009   71.108   12.680 -13.24987 22.85023 
1 1 1   10   12   26 o   55.682   11.682   57.004   24.393   49.138   39.921   61.691   30.814   53.704   17.926   57.659   14.983 -3.955868 23.36326 
1 1 1   10   12   28 o  183.023   12.542  586.500   72.592  643.916  140.693  565.670   84.744  188.178   21.154  177.868   13.480 10.31032 25.08352 
1 1 1   10   12   30 o   92.825   14.951  162.264   47.612  171.406   72.601  155.365   63.069   94.957   22.054   90.692   20.194 4.265396 29.90283 
1 1 1   10   12   32 o   43.363   13.157   14.925   23.848   20.097   24.857 -44.9882   84.593   37.774   14.004   48.952   22.277 -11.17776 26.31343 
1 1 1   10   12   34 o  338.831   17.511  2175.82  209.473  2070.47  288.351  2293.55  304.814  330.220   24.706  347.442   24.822 -17.22192 35.02127 
1 1 1   10   12   36 o  115.197   19.842  288.204   82.242  340.030  103.319  198.577  135.872  133.240   21.940   97.155   33.068 36.08519 39.68387 
1 1 1   10   12   38 o   55.243   15.563   39.797   32.765   39.088   34.801   45.323   97.210   47.525   16.709   62.960   26.262 -15.43508 31.12693 
1 1 1   10   13    1 o  426.456   25.528  3237.44  384.783   0.0000   0.0000  3237.44  384.783  ?   ?   426.456   25.528      ?      ? 
1 1 1   10   13    3 o  223.418   22.035  887.346  174.005   0.0000   0.0000  887.346  174.005  ?   ?   223.418   22.035      ?      ? 
1 1 1   10   13    5 o  296.723   23.119  1567.23  242.455   0.0000   0.0000  1567.23  242.455  ?   ?   296.723   23.119      ?      ? 
1 1 1   10   13    7 o  446.570   18.075  3564.14  284.846  3797.79  403.204  3331.35  402.464  461.342   24.728  431.798   26.371 29.54382 36.15081 
1 1 1   10   13    9 o   92.348   14.890  168.541   47.168  106.100   80.670  200.977   58.142   78.298   25.451  106.397   15.461 -28.09902 29.77940 
1 1 1   10   13   11 o  360.308   15.718  2280.46  190.232  2452.17  329.329  2194.48  233.043  369.707   25.203  350.909   18.790 18.79727 31.43640 
1 1 1   10   13   13 o  204.265   13.821  724.398   95.351  816.680  164.677  677.856  116.949  213.495   21.823  195.034   16.966 18.46140 27.64224 
1 1 1   10   13   15 o  156.657   12.956  431.647   68.372  461.652  117.516  416.293   84.064  160.460   20.721  152.854   15.560 7.606812 25.91290 
1 1 1   10   13   17 o  354.262   13.560  2232.33  147.686  2284.93  294.366  2214.64  170.727  355.806   23.407  352.719   13.695 3.086914 27.11929 
1 1 1   10   13   19 o  114.696   11.459  233.820   46.452   0.0000   0.0000  233.820   46.452  ?   ?   114.696   11.459      ?      ? 
1 1 1   10   13   21 o  256.879   13.557  1176.50  107.458  1208.10  213.055  1165.72  124.446  258.089   23.356  255.668   13.772 2.421051 27.11398 
1 1 1   10   13   23 o  129.547   13.393  298.026   59.363  318.386   98.350  286.357   74.455  132.712   20.967  126.382   16.668 6.330032 26.78536 
1 1 1   10   13   25 f  129.569   13.488  316.668   52.113  287.086  100.092  327.669   61.038  123.588   23.777  135.549   12.740 -11.96067 26.97558 
1 1 1   10   13   27 o  203.555   12.939  736.832   82.491  773.076  160.600  723.844   96.142  205.918   22.066  201.192   13.520 4.725967 25.87899 
1 1 1   10   13   29 o  225.437   12.873  934.599   89.506  890.653  173.952  950.425  104.385  220.390   22.331  230.484   12.814 -10.09399 25.74656 
1 1 1   10   13   31 o   99.234   12.406  196.796   37.917  147.404   67.614  219.454   45.796   87.733   21.879  110.735   11.701 -23.00204 24.81147 
1 1 1   10   13   33 o  226.835   16.739  967.885  133.648  942.435  180.131  999.052  199.340  224.076   22.744  229.594   24.565 -5.517578 33.47738 
1 1 1   10   13   35 o   82.058   15.329   79.960   36.849   50.300   39.975  247.669   95.056   53.212   17.937  110.904   24.864 -57.69177 30.65898 
1 1 1   10   13   37 o   47.124   14.627   3.0863   11.733   1.8044   11.815   94.597   99.823   21.869   9.1415   72.379   27.789 -50.51036 29.25350 
1 1 1   10   14    0 o  194.289   15.452  671.704  106.098  665.945  150.617  677.377  149.479  193.452   22.028  195.127   21.674 -1.674973 30.90341 
1 1 1   10   14    2 o  518.769   18.731  4827.43  341.122  5474.40  482.892  4182.99  481.946  553.980   24.662  483.559   28.199 70.42133 37.46204 
1 1 1   10   14    4 o  562.938   17.295  5625.21  325.231  5757.48  563.158  5559.02  398.381  566.961   28.103  558.916   20.167 8.044617 34.59025 
1 1 1   10   14    6 o  143.928   12.891  358.055   62.711  403.740  108.157  334.918   76.969  150.533   20.328  137.323   15.858 13.21010 25.78226 
1 1 1   10   14    8 o  193.053   12.461  653.031   80.883  696.886  139.557  630.849   99.253  197.658   19.976  188.448   14.902 9.210434 24.92215 
1 1 1   10   14   10 o  267.897   14.044  1249.85  126.817  1388.69  219.394  1180.18  155.411  278.411   22.296  257.383   17.084 21.02780 28.08817 
1 1 1   10   14   12 o  391.239   15.682  2708.58  205.815  2872.16  356.098  2626.53  252.207  399.083   25.246  383.395   18.612 15.68832 31.36467 
1 1 1   10   14   14 o  229.275   14.149  927.122  108.980  991.650  188.356  894.650  133.615  234.704   22.706  223.847   16.888 10.85648 28.29792 
1 1 1   10   14   16 o  355.976   15.084  2209.32  181.402  2524.12  313.719  2051.20  222.341  373.644   23.755  338.307   18.595 35.33664 30.16750 
1 1 1   10   14   18 o  210.409   15.583  799.669  115.867  817.997  163.928  781.370  163.794  212.870   21.788  207.948   22.285 4.921295 31.16671 
1 1 1   10   14   20 o  170.572   13.346  533.880   69.420  501.440  136.874  545.115   80.549  166.244   23.295  174.901   13.030 -8.657715 26.69131 
1 1 1   10   14   22 o  190.380   12.862  660.580   75.092  633.325  147.652  670.089   87.213  186.861   22.356  193.898   12.726 -7.037628 25.72464 
1 1 1   10   14   24 o  240.382   13.476  1062.40   98.773  1001.99  194.878  1083.29  114.580  234.404   23.522  246.359   13.159 -11.95523 26.95277 
1 1 1   10   14   26 o  120.235   13.776  285.297   48.991  226.758   92.535  308.096   57.749  109.101   24.586  131.369   12.437 -22.26787 27.55280 
1 1 1   10   14   28 o  120.416   13.060  291.954   46.069  215.708   85.807  322.834   54.607  106.349   23.458  134.484   11.488 -28.13493 26.12000 
1 1 1   10   14   30 o   65.689   11.783   82.876   26.725   71.356   45.444   88.967   33.042   62.251   18.953   69.128   14.004 -6.877308 23.56537 
1 1 1   10   14   32 f  193.166   13.389  703.848   79.486  652.653  153.568  722.583   92.897  186.185   23.336  200.147   13.132 -13.96207 26.77764 
1 1 1   10   14   34 o   78.111   17.743  119.602   52.849  125.626   62.056  103.700  100.829   79.860   21.506   76.362   28.226 3.498550 35.48531 
1 1 1   10   14   36 o   98.626   18.050  158.842   54.422  119.689   60.832  315.791  121.795   76.891   21.530  120.360   28.978 -43.46819 36.10051 
1 1 1   10   15    1 o  296.556   17.627  1591.01  181.825  1904.57  256.474  1274.18  257.810  326.636   22.216  266.475   27.373 60.16174 35.25368 
1 1 1   10   15    3 o  523.254   16.200  4780.38  285.418  5271.27  494.161  4534.64  349.634  542.123   25.790  504.384   19.612 37.73898 32.40018 
1 1 1   10   15    5 o  184.019   15.967  607.793  103.517  654.469  145.114  559.433  147.710  191.345   21.457  176.692   23.652 14.65311 31.93492 
1 1 1   10   15    7 o  170.581   15.279  521.034   92.109  514.390  130.394  527.652  130.130  169.479   21.768  171.683   21.445 -2.204254 30.55716 
1 1 1   10   15    9 o  242.738   14.896  1042.85  121.271  1097.34  209.561  1015.42  148.699  246.944   24.010  238.533   17.638 8.410202 29.79199 
1 1 1   10   15   11 o  359.986   14.559  2229.87  177.517  2653.58  307.213  2017.48  217.503  384.065   22.632  335.906   18.320 48.15833 29.11724 
1 1 1   10   15   13 o  114.943   11.364  225.359   44.612  276.868   75.876  198.146   55.152  124.447   17.250  105.439   14.799 19.00858 22.72872 
1 1 1   10   15   15 o   74.445   13.872  104.290   36.157   93.908   60.841  109.959   44.957   71.957   21.935   76.932   16.988 -4.974388 27.74385 
1 1 1   10   15   17 o   97.410   14.467  168.689   46.613  210.757   79.251  146.437   57.637  106.172   21.848   88.649   18.969 17.52239 28.93320 
1 1 1   10   15   19 o  299.324   23.436  1627.20  247.934   0.0000   0.0000  1627.20  247.934  ?   ?   299.324   23.436      ?      ? 
1 1 1   10   15   21 o  319.369   13.038  1825.37  128.099  1855.83  254.469  1815.03  148.254  319.737   22.518  319.000   13.149 0.7374573 26.07564 
1 1 1   10   15   23 o  268.317   13.362  1328.60  108.943  1240.85  215.437  1358.74  126.279  260.737   23.377  275.897   12.950 -15.16010 26.72461 
1 1 1   10   15   25 o  118.656   13.453  272.598   50.463  219.986   85.708  300.515   62.432  107.717   23.198  129.596   13.630 -21.87907 26.90551 
1 1 1   10   15   27 o   90.163   11.858  162.422   33.328  118.421   59.172  182.868   40.335   79.103   20.864  101.223   11.274 -22.11969 23.71538 
1 1 1   10   15   29 o   70.377   10.995  103.529   26.635   50.752   45.512  131.022   32.848   55.128   19.124   85.626   10.854 -30.49806 21.98944 
1 1 1   10   15   31 o  186.313   13.376  627.708   84.197  683.274  144.021  598.857  103.778  191.417   21.288  181.208   16.203 10.20906 26.75279 
1 1 1   10   15   33 o   42.878   20.521 -106.1289   88.327   0.0000   0.0000 -106.1289   88.327  ?   ?    42.878   20.521      ?      ? 
1 1 1   10   15   35 o  182.910   28.806  706.677  186.224   0.0000   0.0000  706.677  186.224  ?   ?   182.910   28.806      ?      ? 
1 1 1   10   16    0 o  447.822   16.237  3512.10  244.765  3863.61  423.734  3336.08  299.850  463.404   25.871  432.240   19.627 31.16400 32.47363 
1 1 1   10   16    2 o  342.664   17.496  2114.61  211.444  2263.70  298.238  1963.94  299.822  355.055   23.765  330.273   25.684 24.78238 34.99269 
1 1 1   10   16    4 o  386.445   19.112  2726.69  256.701  3276.99  362.429  2172.73  363.633  426.882   24.021  346.007   29.734 80.87448 38.22495 
1 1 1   10   16    6 o  253.742   22.860  1157.32  205.019   0.0000   0.0000  1157.32  205.019  ?   ?   253.742   22.860      ?      ? 
1 1 1   10   16    8 o  198.161   13.979  700.928   92.627  711.674  159.689  695.479  113.711  198.868   22.719  197.454   16.294 1.413788 27.95781 
1 1 1   10   16   10 o  192.403   13.977  662.469   89.791  668.914  155.025  659.215  110.148  192.639   22.769  192.167   16.217 0.4721680 27.95370 
1 1 1   10   16   12 o  225.284   13.724  894.498  104.006  965.210  179.586  858.811  127.579  231.368   21.961  219.200   16.467 12.16833 27.44894 
1 1 1   10   16   14 o  297.383   14.417  1547.93  144.741  1742.05  250.024  1450.08  177.511  310.323   22.795  284.443   17.657 25.88077 28.83386 
1 1 1   10   16   16 o  294.135   13.895  1524.48  137.675  1667.25  237.606  1452.31  168.921  303.547   22.147  284.724   16.786 18.82306 27.78926 
1 1 1   10   16   18 o  205.320   13.366  749.086   92.290  790.401  158.620  727.943  113.474  209.003   21.473  201.637   15.922 7.365952 26.73189 
1 1 1   10   16   20 o  174.002   15.461  542.090   95.085   0.0000   0.0000  542.090   95.085  ?   ?   174.002   15.461      ?      ? 
1 1 1   10   16   22 o  291.103   15.324  1575.83  146.933  1438.64  252.829  1645.79  180.554  279.700   25.575  302.505   16.887 -22.80536 30.64715 
1 1 1   10   16   24 o  231.734   12.739  1000.46   89.708  909.297  176.005  1032.45  104.269  223.013   22.329  240.456   12.269 -17.44322 25.47779 
1 1 1   10   16   26 o  103.243   12.934  191.717   42.604  210.342   77.685  183.705   50.949  105.360   21.587  101.126   14.255 4.234634 25.86885 
1 1 1   10   16   28 o   60.690   16.900   68.909   37.592   0.0000   0.0000   68.909   37.592  ?   ?    60.690   16.900      ?      ? 
1 1 1   10   16   30 o  224.045   13.526  907.462  107.105   0.0000   0.0000  907.462  107.105  ?   ?   224.045   13.526      ?      ? 
1 1 1   10   16   34 o   50.010   17.275   44.379   37.120   44.379   37.120   0.0000   0.0000   50.010   17.275  ?   ?       ?      ? 
1 1 1   10   17    1 o  150.993   15.077  406.243   76.270  418.239  131.391  400.146   93.667  152.306   24.408  149.680   17.705 2.625626 30.15326 
1 1 1   10   17    3 o  239.594   17.830  1056.54  146.790  1326.07  206.724  782.419  208.473  271.715   21.526  207.474   28.429 64.24120 35.65923 
1 1 1   10   17    5 o  193.811   13.270  663.918   86.340  699.920  148.984  645.712  105.944  197.347   21.359  190.275   15.753 7.071716 26.54042 
1 1 1   10   17    7 o  459.382   19.135  3838.98  310.533  3964.67  438.266  3712.25  440.060  467.182   26.542  451.582   27.571 15.60071 38.27056 
1 1 1   10   17    9 o  142.077   16.143  370.237   79.124  392.523  110.722  346.978  113.112  147.635   21.219  136.518   24.335 11.11726 32.28650 
1 1 1   10   17   11 o  125.998   17.225  297.711   74.543  354.257  103.616  237.048  107.322  140.208   20.909  111.789   27.380 28.41888 34.45064 
1 1 1   10   17   13 o  325.139   14.742  1874.81  161.023  2011.48  278.350  1806.07  197.408  332.941   23.654  317.338   17.600 15.60278 29.48357 
1 1 1   10   17   15 o   74.555   12.950  102.785   32.956  106.529   54.665  100.648   41.307   75.545   20.115   73.564   16.314 1.981422 25.89944 
1 1 1   10   17   17 o  228.300   14.154  944.218  107.686  930.037  185.320  951.448  132.317  226.186   23.181  230.414   16.247 -4.228607 28.30810 
1 1 1   10   17   19 o  183.287   15.507  609.404  100.399  587.407  139.247  633.220  144.893  179.852   21.905  186.723   21.955 -6.870453 31.01384 
1 1 1   10   17   21 o  424.288   16.480  3302.34  232.795  3260.86  401.022  3323.42  285.898  419.801   27.027  428.775   18.865 -8.973724 32.96024 
1 1 1   10   17   23 o  272.983   16.513  1342.84  159.325   0.0000   0.0000  1342.84  159.325  ?   ?   272.983   16.513      ?      ? 
1 1 1   10   17   25 o  225.151   12.664  908.053  100.779   0.0000   0.0000  908.053  100.779  ?   ?   225.151   12.664      ?      ? 
1 1 1   10   17   27 o   98.750   15.731  176.709   54.906   0.0000   0.0000  176.709   54.906  ?   ?    98.750   15.731      ?      ? 
1 1 1   10   17   29 o  175.384   13.685  577.294   79.558  548.574  136.501  592.069   97.906  170.515   22.649  180.253   15.368 -9.738647 27.37058 
1 1 1   10   17   31 o   40.584   11.166   20.729   22.152   22.894   27.022   16.293   38.682   39.410   14.603   41.757   16.895 -2.346905 22.33179 
1 1 1   10   17   33 o  109.429   20.031  270.373   77.435  294.807   95.993  224.847  131.027  119.894   23.493   98.965   32.450 20.92908 40.06111 
1 1 1   10   18    0 o  411.005   15.333  2914.00  213.516  3485.38  369.475  2627.50  261.626  439.228   23.800  382.783   19.338 56.44547 30.66572 
1 1 1   10   18    2 o  202.372   13.268  714.950   90.633  798.038  156.421  672.958  111.201  210.631   21.011  194.112   16.208 16.51874 26.53643 
1 1 1   10   18    4 o  347.902   14.317  2141.66  167.281  2285.42  289.095  2069.30  205.106  355.688   22.996  340.117   17.062 15.57074 28.63436 
1 1 1   10   18    6 f  127.694   13.142  282.079   57.088  330.777   97.548  256.711   70.404  135.586   20.355  119.802   16.627 15.78458 26.28302 
1 1 1   10   18    8 o  303.402   14.767  1654.17  149.539  1674.98  258.440  1643.70  183.350  303.856   24.064  302.947   17.124 0.9096375 29.53472 
1 1 1   10   18   10 o  148.893   12.767  390.465   64.238  423.223  109.921  373.475   79.163  153.244   20.294  144.542   15.496 8.701843 25.53381 
1 1 1   10   18   12 o  301.858   17.600  1667.26  186.662  1860.00  263.011  1471.64  264.961  320.094   23.248  283.623   26.431 36.47018 35.20033 
1 1 1   10   18   14 o  237.981   18.239  1054.05  149.400  1306.75  209.868  794.410  212.730  268.490   22.116  207.473   29.010 61.01775 36.47839 
1 1 1   10   18   16 f  290.965   16.255  1537.94  166.991  1442.94  231.998  1640.07  240.556  281.535   23.315  300.395   22.657 -18.85999 32.51035 
1 1 1   10   18   18 o   37.474   14.300   17.438   26.332   0.0000   0.0000   17.438   26.332  ?   ?    37.474   14.300      ?      ? 
1 1 1   10   18   20 o  273.356   23.162  1368.40  223.783   0.0000   0.0000  1368.40  223.783  ?   ?   273.356   23.162      ?      ? 
1 1 1   10   18   22 o  125.865   22.705  298.810   97.291   0.0000   0.0000  298.810   97.291  ?   ?   125.865   22.705      ?      ? 
1 1 1   10   18   24 o   62.434   13.722   71.190   33.474   71.682   46.925   70.679   47.766   62.561   19.298   62.307   19.512 0.2542534 27.44300 
1 1 1   10   18   26 o   96.357   13.927  166.978   42.846  203.520   78.692  151.580   51.082  102.777   22.303   89.936   16.684 12.84084 27.85323 
1 1 1   10   18   28 o   82.857   14.366  125.977   39.312  154.442   71.210  113.498   47.147   88.689   22.640   77.026   17.691 11.66357 28.73198 
1 1 1   10   18   30 o   48.760   11.373   40.653   22.132   52.748   36.720   33.753   27.736   53.448   17.152   44.073   14.941 9.374619 22.74684 
1 1 1   10   18   32 o   20.931   8.7523  -6.2286   2.8313  -6.0452   2.8335 -124.6179   71.998   6.7919   3.3438   35.070   17.182 -28.27785 17.50461 
1 1 1   10   19    1 o  311.503   14.393  1666.15  152.105  2037.25  263.099  1479.85  186.417  335.814   22.167  287.192   18.365 48.62173 28.78600 
1 1 1   10   19    3 o  338.091   15.033  2057.73  169.581  2076.08  292.962  2048.48  207.964  338.079   24.517  338.102   17.403 -0.2377319E-01 30.06590 
1 1 1   10   19    5 o  275.386   14.401  1342.29  133.321  1445.85  230.357  1290.12  163.484  282.474   23.073  268.298   17.240 14.17584 28.80238 
1 1 1   10   19    7 o  293.077   14.556  1498.96  144.264  1723.05  249.169  1385.96  176.936  308.314   22.865  277.839   18.018 30.47534 29.11140 
1 1 1   10   19    9 o  129.415   11.575  291.985   50.812  328.317   86.843  273.073   62.656  135.169   18.178  123.661   14.335 11.50786 23.15017 
1 1 1   10   19   11 o  194.718   12.811  680.338   84.038  685.985  142.365  677.317  104.112  194.836   20.674  194.599   15.137 0.2368774 25.62269 
1 1 1   10   19   13 f  252.355   16.006  1141.28  142.760   0.0000   0.0000  1141.28  142.760  ?   ?   252.355   16.006      ?      ? 
1 1 1   10   19   15 o  204.898   16.555  754.203  119.889   0.0000   0.0000  754.203  119.889  ?   ?   204.898   16.555      ?      ? 
1 1 1   10   19   23 o   92.726   14.823  162.496   46.320  170.516   75.596  157.674   58.612   94.083   22.940   91.368   18.778 2.715569 29.64536 
1 1 1   10   19   25 o   72.576   13.758  102.370   36.170   83.487   56.233  115.697   47.239   67.098   21.193   78.055   17.549 -10.95698 27.51614 
1 1 1   10   19   27 o   63.979   12.586   77.069   28.011   78.540   50.602   76.420   33.635   64.530   20.062   63.427   15.202 1.102654 25.17106 
1 1 1   10   19   29 o   57.286   11.609   64.679   24.652   48.540   41.939   73.199   30.471   52.651   18.353   61.922   14.222 -9.271561 23.21839 
1 1 1   10   19   31 o   27.013   10.586  -1.1109   14.523   8.2366   14.711 -358.8925   91.016   27.013   10.586  ?   ?       ?      ? 
1 1 1   10   20    0 o  298.392   13.373  1533.49  135.320  1842.30  233.807  1377.95  165.936  319.507   20.704  277.278   16.932 42.22943 26.74607 
1 1 1   10   20    2 o   69.037   15.142   86.499   41.068   98.561   54.796   71.038   62.035   72.887   20.442   65.188   22.343 7.698845 30.28366 
1 1 1   10   20    4 o  137.108   12.459  330.689   58.414  363.989   97.512  312.051   72.952  142.154   19.408  132.061   15.629 10.09334 24.91876 
1 1 1   10   20    6 o  255.165   12.361  1150.99  106.596  1230.37  181.841  1109.44  131.574  261.223   19.695  249.106   14.944 12.11618 24.72292 
1 1 1   10   20    8 o  204.556   14.025  747.264  101.400   0.0000   0.0000  747.264  101.400  ?   ?   204.556   14.025      ?      ? 
1 1 1   10   20   10 o  129.370   13.734  298.882   62.800   0.0000   0.0000  298.882   62.800  ?   ?   129.370   13.734      ?      ? 
1 1 1   10   20   12 o  142.344   21.559  368.135  108.464   0.0000   0.0000  368.135  108.464  ?   ?   142.344   21.559      ?      ? 
1 1 1   10   20   14 o   90.993   15.638  156.969   50.001  177.667   70.572  136.107   70.853   97.092   21.162   84.894   23.029 12.19862 31.27629 
1 1 1   10   20   16 o   79.872   15.042  120.366   43.262  127.113   61.221  113.637   61.141   82.013   21.023   77.731   21.520 4.281708 30.08451 
1 1 1   10   20   18 o  301.711   14.377  1650.15  145.741  1694.33  249.042  1627.14  179.731  303.325   23.230  300.096   16.945 3.228699 28.75330 
1 1 1   10   20   20 o   79.088   13.341  122.489   36.596   94.904   58.440  140.286   46.939   71.331   21.443   86.845   15.877 -15.51444 26.68145 
1 1 1   10   20   22 o  162.324   23.979  493.939  137.574   0.0000   0.0000  493.939  137.574  ?   ?   162.324   23.979      ?      ? 
1 1 1   10   20   24 o   56.928   14.618   52.998   37.188   63.837   44.276   27.035   68.523   59.055   18.822   54.802   22.370 4.253418 29.23509 
1 1 1   10   20   26 o   65.407   14.132   53.897   30.339   33.669   33.554  144.529   71.026   45.671   16.370   85.143   23.041 -39.47197 28.26415 
1 1 1   10   20   28 o   49.143   12.471   38.175   27.718   55.155   42.128   25.213   36.808   54.817   18.414   43.468   16.824 11.34885 24.94253 
1 1 1   10   21    1 o  322.820   17.989  1912.61  204.342  2078.20  285.931  1739.76  292.137  337.770   23.951  307.870   26.847 29.90063 35.97789 
1 1 1   10   21    3 o  186.403   14.085  620.665   92.796   0.0000   0.0000  620.665   92.796  ?   ?   186.403   14.085      ?      ? 
1 1 1   10   21    5 o  175.473   21.809  558.565  135.261   0.0000   0.0000  558.565  135.261  ?   ?   175.473   21.809      ?      ? 
1 1 1   10   21    7 o  273.140   23.081  1359.56  222.827   0.0000   0.0000  1359.56  222.827  ?   ?   273.140   23.081      ?      ? 
1 1 1   10   21    9 o  210.293   15.785  806.341  117.174  852.268  165.649  760.347  165.768  216.479   21.650  204.107   22.979 12.37177 31.57092 
1 1 1   10   21   11 o   68.282   13.585   85.524   33.643   93.607   53.304   80.171   43.373   70.929   20.257   65.635   18.107 5.293907 27.17031 
1 1 1   10   21   13 o  254.155   13.966  1176.42  118.639  1160.78  202.930  1184.54  146.233  251.739   22.807  256.570   16.126 -4.831177 27.93237 
1 1 1   10   21   15 o  208.953   13.675  781.353   96.656  836.546  164.458  752.227  119.467  213.724   21.771  204.182   16.554 9.542374 27.35008 
1 1 1   10   21   17 o  148.355   12.991  407.206   64.627  376.797  107.803  424.266   80.745  143.232   21.295  153.478   14.885 -10.24538 25.98122 
1 1 1   10   21   19 o  142.161   13.622  366.759   65.906  383.709  109.959  357.256   82.333  144.050   21.597  140.272   16.607 3.777878 27.24372 
1 1 1   10   21   21 o  223.566   16.064  937.336  126.909  916.930  179.378  957.787  179.575  220.989   22.966  226.144   22.467 -5.155579 32.12748 
1 1 1   10   21   23 o   72.353   14.038   98.953   36.565  115.811   57.281   87.360   47.502   77.188   20.609   67.519   19.067 9.669327 28.07660 
1 1 1   10   21   25 o   67.498   15.828   86.689   42.938   90.419   52.770   79.381   73.865   68.131   20.353   66.865   24.246 1.265762 31.65589 
1 1 1   10   21   27 o   62.867   13.447   40.292   25.886   21.860   27.897  154.511   69.444   39.062   14.763   86.672   22.479 -47.60963 26.89356 
1 1 1   10   22    2 o  232.894   22.508  988.391  185.276   0.0000   0.0000  988.391  185.276  ?   ?   232.894   22.508      ?      ? 
1 1 1   10   22    4 o  133.911   15.191  326.168   71.880  335.084  101.664  317.255  101.644  135.794   21.182  132.028   21.782 3.766159 30.38291 
1 1 1   10   22    6 o  212.605   13.687  812.804   98.265  837.104  166.367  799.784  121.777  214.300   21.965  210.910   16.336 3.390274 27.37353 
1 1 1   10   22    8 o  278.052   16.566  1391.85  162.801   0.0000   0.0000  1391.85  162.801  ?   ?   278.052   16.566      ?      ? 
1 1 1   10   22   10 o  227.974   13.500  937.921  103.488  958.145  176.421  927.312  127.781  228.948   21.802  226.999   15.927 1.949524 26.99953 
1 1 1   10   22   12 o  158.130   12.841  456.152   68.411  443.354  114.649  463.229   85.251  155.769   20.824  160.490   15.029 -4.720261 25.68118 
1 1 1   10   22   14 o  184.808   13.652  602.080   86.436  708.743  145.042  543.339  107.636  196.581   20.875  173.035   17.600 23.54688 27.30435 
1 1 1   10   22   16 o  196.263   13.756  691.154   92.045  761.757  154.655  652.426  114.541  203.070   21.548  189.457   17.105 13.61292 27.51164 
1 1 1   10   22   18 o  151.117   13.488  420.032   68.932  420.488  115.332  419.778   85.978  150.298   21.711  151.936   16.011 -1.636948 26.97585 
1 1 1   10   22   20 o  234.561   13.886  1037.71  108.561  975.873  183.652  1070.93  134.594  227.008   22.889  242.113   15.729 -15.10480 27.77245 
1 1 1   10   22   22 f   77.997   21.555  119.924   61.401   0.0000   0.0000  119.924   61.401  ?   ?    77.997   21.555      ?      ? 
1 1 1   10   22   24 o   86.735   13.285  150.469   39.580  122.771   62.544  168.972   51.118   78.056   21.821   95.414   15.158 -17.35777 26.56961 
1 1 1   10   23    1 o  191.478   14.343  645.356   93.468  743.816  159.047  593.412  115.522  201.730   22.307  181.226   18.035 20.50327 28.68558 
1 1 1   10   23    3 o  256.913   13.598  1194.55  117.137  1204.25  200.221  1189.51  144.434  256.667   22.071  257.158   15.891 -0.4914856 27.19638 
1 1 1   10   23    5 o  282.353   13.533  1462.60  127.446  1395.91  216.951  1497.74  157.484  276.094   22.232  288.611   15.438 -12.51712 27.06695 
1 1 1   10   23    7 o  260.333   13.331  1226.98  116.459  1241.71  198.911  1219.30  143.654  260.430   21.610  260.236   15.618 0.1938782 26.66283 
1 1 1   10   23    9 o  252.798   13.054  1165.09  110.477  1149.02  188.302  1173.53  136.425  250.318   21.283  255.278   15.120 -4.960083 26.10763 
1 1 1   10   23   11 o  129.071   13.746  302.710   60.815  311.536   99.373  297.424   76.896  130.065   21.617  128.078   16.987 1.987244 27.49234 
1 1 1   10   23   13 o  217.624   13.166  871.269   95.926  847.775  162.790  883.767  118.728  214.148   21.508  221.100   15.193 -6.951324 26.33259 
1 1 1   10   23   15 o  152.883   12.943  433.893   66.511  410.500  111.014  446.991   83.071  148.703   21.122  157.062   14.964 -8.359390 25.88582 
1 1 1   10   23   17 f  183.764   13.659  622.659   84.683  639.113  143.239  613.819  104.997  184.336   21.985  183.192   16.216 1.143417 27.31888 
1 1 1   10   23   19 o  100.102   14.152  192.372   47.988  188.590   76.629  194.811   61.553   97.585   22.653  102.619   16.971 -5.033951 28.30480 
1 1 1   10   23   21 o   64.429   13.961   78.836   34.524   91.553   53.162   69.562   45.400   68.387   20.428   60.470   19.036 7.916794 27.92274 
1 1 1   10   23   23 o   28.016   11.324   6.7600   17.357   0.0000   0.0000   6.7600   17.357  ?   ?    28.016   11.324      ?      ? 
1 1 1   10   24    0 o  260.018   17.905  1266.60  162.940  1423.19  226.743  1099.38  234.308  277.853   23.089  242.184   27.373 35.66862 35.81005 
1 1 1   10   24    2 o  309.435   16.703  1769.12  182.555  1682.52  254.473  1860.94  262.037  301.488   23.881  317.382   23.359 -15.89346 33.40599 
1 1 1   10   24    4 o  141.984   16.889  378.746   82.230  379.674  110.033  377.572  123.753  143.693   21.665  140.275   25.915 3.417694 33.77854 
1 1 1   10   24    6 o  205.616   13.267  782.023   91.366  734.053  153.377  808.409  113.752  199.564   21.745  211.668   15.205 -12.10413 26.53355 
1 1 1   10   24    8 o   58.891   10.645   65.768   23.974   29.472   34.963   97.979   32.937   45.031   16.626   72.752   13.299 -27.72098 21.29061 
1 1 1   10   24   10 o  131.447   12.876  319.599   57.618  301.832   93.493  330.479   73.162  127.817   20.695  135.077   15.324 -7.260666 25.75143 
1 1 1   10   24   12 o  147.704   14.042  384.603   71.155  486.382  119.584  328.817   88.533  161.757   20.916  133.651   18.742 28.10609 28.08480 
1 1 1   10   24   14 o  118.434   14.070  260.792   55.574  280.461   92.109  249.533   69.688  120.294   22.491  116.574   16.914 3.720085 28.14090 
1 1 1   10   24   16 o   97.419   14.505  181.368   47.274  200.730   76.925  169.618   59.925  100.937   22.169   93.900   18.713 7.036980 29.01084 
1 1 1   10   24   18 o   44.761   10.762   34.185   20.337   41.379   30.414   28.366   27.351   47.852   15.631   41.669   14.796 6.183037 21.52346 
1 1 1   10   24   20 o   13.929   4.3698  -2.0235   4.2486  -0.7385   5.4432  -4.0269   6.7965   13.897   6.0172   13.960   6.3382 -0.6318474E-01 8.739590 
1 1 1   10   25    1 o  281.546   13.912  1469.94  130.658  1407.80  222.233  1502.76  161.523  275.108   22.855  287.983   15.869 -12.87451 27.82409 
1 1 1   10   25    3 o  148.887   13.012  397.885   66.207  435.925  110.481  376.570   82.702  153.773   20.328  144.001   16.249 9.771545 26.02392 
1 1 1   10   25    5 o  131.357   16.922  329.618   75.159  309.758   99.606  355.876  114.531  127.077   23.025  135.638   24.804 -8.560524 33.84368 
1 1 1   10   25    7 o   87.742   17.550  153.865   63.697  228.153   83.100   48.047   99.180  108.700   22.376   66.785   27.043 41.91521 35.09943 
1 1 1   10   25    9 o  117.293   15.540  254.354   62.422  205.911   80.999  325.200   97.954  102.690   22.900  131.896   21.012 -29.20602 31.07937 
1 1 1   10   25   11 o  111.469   14.286  231.281   52.886  272.800   87.104  207.040   66.558  118.741   21.548  104.198   18.763 14.54280 28.57216 
1 1 1   10   25   13 o   88.364   14.688  150.275   44.160  169.057   71.528  138.708   56.136   92.295   22.198   84.432   19.240 7.863510 29.37581 
1 1 1   10   25   15 o   81.227   14.183  126.202   39.777  155.151   64.171  108.138   50.690   88.307   20.887   74.146   19.193 14.16081 28.36644 
1 1 1   10   25   17 o   63.803   13.320   78.472   31.722   89.336   49.649   70.978   41.237   67.173   19.659   60.434   17.978 6.738842 26.63977 
1 1 1   10   26    0 o   47.291   11.027   38.721   21.858   26.509   31.596   49.929   30.269   42.653   15.794   51.930   15.392 -9.276947 22.05358 
1 1 1   10   26    2 o  219.250   13.340  874.250   99.014  946.166  168.345  836.214  122.430  224.708   21.196  213.792   16.202 10.91624 26.67954 
1 1 1   10   26    4 o  155.948   12.979  454.461   68.073  435.643  113.791  464.949   84.951  152.244   21.147  159.652   15.055 -7.407501 25.95839 
1 1 1   10   26    6 o  183.792   13.599  618.714   84.822  675.337  143.622  588.386  105.112  188.881   21.514  178.703   16.642 10.17830 27.19901 
1 1 1   10   26    8 o   39.455   9.8737   24.717   17.446   17.445   24.978   31.643   24.377   36.487   13.926   42.423   14.001 -5.935974 19.74743 
1 1 1   10   26   10 o  172.313   13.615  578.330   77.386  507.934  130.336  616.659   96.173  161.664   22.810  182.962   14.872 -21.29758 27.23022 
1 1 1   10   26   12 o  136.792   16.767  369.799   78.953  338.864  103.829  412.208  121.570  129.519   23.549  144.065   23.875 -14.54645 33.53457 
1 1 1   10   26   14 o   93.435   18.297  192.897   66.306  250.245   87.526  115.656  101.578  110.365   23.176   76.506   28.320 33.85838 36.59454 
1 1 1   10   27    1 o   74.553   13.618  108.764   35.725  106.639   56.329  110.193   46.206   73.662   20.750   75.443   17.643 -1.781090 27.23680 
1 1 1   10   27    3 o   73.208   12.522  108.176   32.427   76.558   50.371  130.554   42.376   63.367   20.063   83.050   14.988 -19.68328 25.04329 
1 1 1   10   27    5 o  159.132   13.645  483.948   72.946  473.141  122.529  489.881   90.787  155.893   22.238  162.370   15.820 -6.477173 27.29066 
1 1 1   10   27    7 o  143.085   14.132  384.426   69.309  434.267  115.201  356.150   86.770  149.019   21.872  137.151   17.900 11.86794 28.26318 
1 1 1   10   27    9 o  126.883   16.012  302.297   71.805   0.0000   0.0000  302.297   71.805  ?   ?   126.883   16.012      ?      ? 
1 1 1   10   27   11 o   75.279   19.592  114.397   52.631   0.0000   0.0000  114.397   52.631  ?   ?    75.279   19.592      ?      ? 
1 1 1   10   28    0 o   63.903   13.270   80.841   32.015   72.289   48.266   87.560   42.781   61.163   19.669   66.642   17.818 -5.478912 26.53963 
1 1 1   10   28    2 o  154.249   14.362  455.465   75.720  501.394  126.005  429.505   94.733  158.568   22.483  149.931   17.877 8.636627 28.72381 
1 1 1   10   28    4 o  178.626   15.286  598.911   96.506   0.0000   0.0000  598.911   96.506  ?   ?   178.626   15.286      ?      ? 
1 1 1   11    0    1 o  1096.93   22.003 21376.46  1204.23 21376.46  1204.23 21376.46  1204.23  1096.93   31.117  1096.93   31.117 -0.000000 0.000000 
1 1 1   11    0    3 o  300.289   11.663  1609.18  173.854  1609.18  173.854  1609.18  173.854  300.289   16.494  300.289   16.494 -0.000000 0.000000 
1 1 1   11    0    5 o  1858.98   34.707 61611.14  3219.89 61611.14  3219.89 61611.14  3219.89  1858.98   49.083  1858.98   49.083 -0.000000 0.000000 
1 1 1   11    0    7 o  1225.76   23.820 26697.00  1456.94 26697.00  1456.94 26697.00  1456.94  1225.76   33.687  1225.76   33.687 -0.000000 0.000000 
1 1 1   11    0    9 o  725.864   23.465  9399.47  847.317  9399.47  847.317  9399.47  847.317  725.864   33.185  725.864   33.185 -0.000000 0.000000 
1 1 1   11    0   11 o   75.484   19.380  134.060   67.207  134.060   67.207  134.060   67.207   75.484   27.407   75.484   27.407 -0.000000 0.000000 
1 1 1   11    0   13 o  364.255   17.486  2382.42  315.002  2382.42  315.002  2382.42  315.002  364.255   24.729  364.255   24.729 -0.000000 0.000000 
1 1 1   11    0   15 f  479.994   13.031  4095.90  311.588  4095.90  311.588  4095.90  311.588  479.994   18.428  479.994   18.428 -0.000000 0.000000 
1 1 1   11    0   17 o  675.880   22.597  8173.94  759.515  8173.94  759.515  8173.94  759.515  675.880   31.957  675.880   31.957 -0.000000 0.000000 
1 1 1   11    0   19 o  307.661   16.998  1710.81  257.730  1710.81  257.730  1710.81  257.730  307.661   24.039  307.661   24.039 -0.000000 0.000000 
1 1 1   11    0   21 o  162.786   17.193  501.514  130.699  501.514  130.699  501.514  130.699  162.786   24.314  162.786   24.314 -0.000000 0.000000 
1 1 1   11    0   23 o  218.374   11.412  859.921  122.998  859.921  122.998  859.921  122.998  218.374   16.138  218.374   16.138 -0.000000 0.000000 
1 1 1   11    0   25 o  242.066   11.550  1054.92  138.286  1054.92  138.286  1054.92  138.286  242.066   16.334  242.066   16.334 -0.000000 0.000000 
1 1 1   11    0   27 o  153.466   11.616  432.769   86.531  432.769   86.531  432.769   86.531  153.466   16.428  153.466   16.428 -0.000000 0.000000 
1 1 1   11    0   29 o  145.488   17.863  411.293  118.167  411.293  118.167  411.293  118.167  145.488   25.263  145.488   25.263 -0.000000 0.000000 
1 1 1   11    0   31 o  105.135   14.058  216.788   66.176  216.788   66.176  216.788   66.176  105.135   19.882  105.135   19.882 -0.000000 0.000000 
1 1 1   11    0   33 o   64.344   15.608   95.992   45.120   95.992   45.120   95.992   45.120   64.344   22.073   64.344   22.073 -0.000000 0.000000 
1 1 1   11    0   35 o  107.397   13.866  225.691   67.094  225.691   67.094  225.691   67.094  107.397   19.609  107.397   19.609 -0.000000 0.000000 
1 1 1   11    0   37 f   29.816   11.644   22.037   25.306   22.037   25.306   22.037   25.306   29.816   16.467   29.816   16.467 -0.000000 0.000000 
1 1 1   11    0   39 o   45.916   15.646   56.578   41.645   56.578   41.645   56.578   41.645   45.916   22.127   45.916   22.127 -0.000000 0.000000 
1 1 1   11    1    0 f  187.010   13.396  628.347   82.854  593.501  143.424  645.801  101.504  182.987   22.176  191.033   15.033 -8.045563 26.79127 
1 1 1   11    1    2 o  1374.61   32.350 33663.58  1483.90 34219.26  2570.13 33385.72  1817.42  1380.38   52.679  1368.84   37.565 11.54175 64.70051 
1 1 1   11    1    4 o  1226.09   24.060 26746.78  1042.26 27600.48  1474.00 25893.12  1473.96  1245.79   33.476  1206.39   34.568 39.39880 48.12077 
1 1 1   11    1    6 o  348.382   11.842  2151.44  145.483  2320.13  205.811  1982.96  205.677  362.073   16.082  334.691   17.387 27.38181 23.68433 
1 1 1   11    1    8 o  596.297   14.551  6302.45  306.413  6599.55  433.371  6005.46  433.296  610.391   20.088  582.203   21.057 28.18762 29.10157 
1 1 1   11    1   10 o  739.282   19.662  9435.31  490.231 10595.30  849.099  8855.30  600.410  771.966   31.120  706.597   24.041 65.36884 39.32473 
1 1 1   11    1   12 f  320.107   16.042  1814.12  181.504  1814.12  181.504   0.0000   0.0000  320.107   16.042  ?   ?       ?      ? 
1 1 1   11    1   14 o  723.549   16.383  9303.81  418.171  8643.61  591.268  9964.53  591.498  697.723   23.976  749.374   22.332 -51.65112 32.76576 
1 1 1   11    1   16 o  225.385   13.247  923.439   97.965  965.607  119.797  838.318  170.205  233.505   14.515  217.265   22.165 16.23956 26.49481 
1 1 1   11    1   18 o  258.650   14.067  1247.08  118.190  1029.94  203.086  1358.30  145.338  240.478   23.894  276.821   14.855 -36.34282 28.13480 
1 1 1   11    1   20 o  493.172   16.776  4481.81  271.016  3968.11  468.204  4740.66  332.356  470.126   28.177  516.218   18.216 -46.09207 33.55271 
1 1 1   11    1   22 o  426.193   12.738  3242.37  191.611  3039.64  270.623  3446.17  271.335  412.704   18.553  439.682   17.460 -26.97763 25.47656 
1 1 1   11    1   24 o  175.439   11.062  548.712   68.509  513.408   96.129  585.151   97.662  169.666   16.030  181.212   15.248 -11.54565 22.12404 
1 1 1   11    1   26 o  365.700   24.758  2425.60  320.013   0.0000   0.0000  2425.60  320.013  ?   ?   365.700   24.758      ?      ? 
1 1 1   11    1   28 o   61.588   12.346   71.291   30.634   25.697   47.991  102.644   39.796   48.767   19.117   74.409   15.629 -25.64157 24.69262 
1 1 1   11    1   30 o  125.246   11.313  281.952   49.896  303.791   69.765  259.083   71.390  130.315   15.147  120.177   16.807 10.13854 22.62530 
1 1 1   11    1   32 o  148.240   10.945  393.505   57.301  375.522   79.278  413.176   82.916  144.696   15.502  151.784   15.456 -7.087738 21.89011 
1 1 1   11    1   34 o  143.633   11.301  370.360   57.274  343.035   78.882  400.825   83.293  138.014   16.171  149.252   15.789 -11.23834 22.60108 
1 1 1   11    1   36 o  184.109   10.883  611.660   70.791  593.923   98.584  630.541  101.715  181.359   15.380  186.860   15.401 -5.501709 21.76528 
1 1 1   11    1   38 o   53.346   12.214   49.950   26.348   40.570   35.506   61.444   39.304   49.041   16.898   57.651   17.641 -8.610447 24.42897 
1 1 1   11    2    1 o  859.192   18.311 13097.23  556.049 12990.42  786.378 13204.05  786.366  855.675   26.002  862.710   25.789 -7.034790 36.62211 
1 1 1   11    2    3 o  1265.00   24.727 28488.87  1104.79 27265.12  1562.37 29712.71  1562.44  1237.63   35.717  1292.37   34.205 -54.74243 49.45404 
1 1 1   11    2    5 o  143.807   11.419  334.356   55.466  499.302   96.655  253.365   67.728  167.964   16.281  119.651   16.015 48.31240 22.83778 
1 1 1   11    2    7 f  2070.96   48.882 79603.26  3324.15 72784.76  5757.38 83012.91  4071.32  1992.00   81.774  2149.91   53.579 -157.9045 97.76340 
1 1 1   11    2    9 o  955.348   23.097 15790.04  743.947 17691.09  1288.78 14840.01  911.064  996.515   36.591  914.181   28.197 82.33386 46.19482 
1 1 1   11    2   11 o  858.899   26.010 13158.35  789.423 13484.22  1116.53 12832.60  1116.30  869.631   36.326  848.167   37.237 21.46350 52.02092 
1 1 1   11    2   13 o  576.153   20.682  5920.32  419.549  6513.77  593.298  5326.74  593.366  605.299   27.732  547.007   30.691 58.29211 41.36424 
1 1 1   11    2   15 o  109.823   10.488  213.568   40.671  201.097   57.043  226.464   58.005  106.557   15.146  113.089   14.512 -6.531342 20.97613 
1 1 1   11    2   17 o  244.393   10.996  1060.71   94.678  962.376  133.786  1159.36  134.006  232.991   16.246  255.794   14.822 -22.80342 21.99171 
1 1 1   11    2   19 o  425.915   17.369  3222.18  261.474   0.0000   0.0000  3222.18  261.474  ?   ?   425.915   17.369      ?      ? 
1 1 1   11    2   21 o  312.996   11.656  1748.06  128.260  1535.99  180.796  1962.93  181.984  293.706   17.416  332.285   15.495 -38.57919 23.31165 
1 1 1   11    2   23 o  423.970   15.197  3177.43  215.982  3078.96  264.422  3374.83  374.378  415.190   18.019  432.750   24.477 -17.56033 30.39397 
1 1 1   11    2   25 o  376.996   14.521  2499.64  183.909  2385.86  225.014  2728.58  319.188  365.222   17.431  388.769   23.229 -23.54648 29.04221 
1 1 1   11    2   27 o  238.770   11.108  1020.71   93.571  1081.70  131.508  958.175  133.164  246.106   15.119  231.434   16.279 14.67120 22.21696 
1 1 1   11    2   29 o   77.724   14.409  112.293   39.268  114.359   63.745  111.030   49.849   78.373   22.072   77.075   18.528 1.297722 28.81771 
1 1 1   11    2   31 f  179.263   14.078  585.945   83.308  596.052  101.720  565.354  145.182  182.366   15.781  176.159   23.318 6.206985 28.15616 
1 1 1   11    2   33 o   69.159   12.501   91.076   30.978  106.890   41.484   71.142   46.576   75.743   15.997   62.575   19.213 13.16829 25.00149 
1 1 1   11    2   35 o   37.482   9.6378   17.599   15.634   11.390   18.789   31.572   28.185   31.189   12.035   43.775   15.057 -12.58557 19.27560 
1 1 1   11    2   37 o   39.579   9.9656   24.346   17.851   31.486   23.554   14.710   27.362   42.397   13.751   36.762   14.428 5.634563 19.93111 
1 1 1   11    2   39 o   50.636   13.167   30.159   24.752   22.849   27.189   65.522   59.805   39.568   14.651   61.703   21.883 -22.13445 26.33437 
1 1 1   11    3    0 o  1589.43   30.260 45122.94  1699.76 44452.57  2403.82 45793.33  2403.83  1577.50   43.113  1601.36   42.471 -23.86646 60.51913 
1 1 1   11    3    2 o  899.576   22.785 14123.23  688.631 15221.03  1192.69 13574.24  843.418  924.576   36.498  874.577   27.285 49.99945 45.56910 
1 1 1   11    3    4 o  1114.86   22.264 22098.48  876.560 21074.02  1239.61 23123.04  1239.67  1088.86   32.210  1140.86   30.744 -52.00012 44.52731 
1 1 1   11    3    6 o  519.650   12.675  4781.86  232.719  4928.66  329.173  4635.17  329.057  527.639   17.651  511.660   18.196 15.97916 25.35031 
1 1 1   11    3    8 o  807.915   17.365 11577.27  495.815 11785.83  701.193 11368.72  701.185  815.218   24.336  800.611   24.779 14.60706 34.73101 
1 1 1   11    3   10 o  377.152   14.011  2451.41  178.100  2745.39  308.814  2304.90  218.008  393.508   22.204  360.797   17.096 32.71045 28.02260 
1 1 1   11    3   12 o  723.581   16.535  9297.45  422.363  8774.70  597.146  9820.78  597.478  703.130   24.028  744.032   22.720 -40.90167 33.06911 
1 1 1   11    3   14 o  116.397   13.546  247.439   51.789  233.163   85.928  255.584   64.900  112.657   22.369  120.136   15.285 -7.479034 27.09237 
1 1 1   11    3   16 o  198.947   13.235  679.287   87.832  636.972  106.268  770.511  156.031  189.594   15.858  208.301   21.193 -18.70694 26.46972 
1 1 1   11    3   18 o  224.666   11.209  899.284   88.218  756.607  123.972  1045.64  125.561  206.471   16.988  242.860   14.628 -36.38870 22.41796 
1 1 1   11    3   20 o   45.736   10.519   30.427   20.384   12.155   26.548   56.675   31.818   35.771   14.156   55.701   15.562 -19.93027 21.03702 
1 1 1   11    3   22 f  315.149   11.242  1768.50  125.213  1734.88  176.419  1802.63  177.744  312.116   15.992  318.181   15.805 -6.064453 22.48452 
1 1 1   11    3   24 o  139.758   10.441  350.438   51.203  382.468   70.688  315.079   74.269  146.607   13.642  132.910   15.810 13.69765 20.88179 
1 1 1   11    3   26 o  154.444   14.004  429.091   69.798  429.523   83.302  428.074  127.872  155.114   15.194  153.774   23.527 1.339737 28.00721 
1 1 1   11    3   28 o   79.022   13.009  119.712   36.627  147.602   47.867   80.316   56.891   90.892   14.900   67.153   21.328 23.73886 26.01760 
1 1 1   11    3   30 o  139.368   11.792  350.304   57.641  367.033   78.080  330.268   85.450  143.193   15.427  135.542   17.837 7.651306 23.58308 
1 1 1   11    3   32 o  129.113   15.095  311.694   61.856  318.394   74.937  297.370  109.578  133.161   15.922  125.064   25.650 8.097366 30.19020 
1 1 1   11    3   34 o   74.847   15.396  104.845   43.076  107.012   58.088  102.198   64.207   75.437   21.009   74.257   22.511 1.179947 30.79135 
1 1 1   11    3   36 f   91.178   13.265  158.958   41.545  127.325   62.892  183.448   55.338   81.625   21.501  100.731   15.543 -19.10623 26.53048 
1 1 1   11    3   38 o   42.731   10.820   28.639   20.755   25.703   29.225   31.627   29.480   41.519   15.221   43.943   15.383 -2.424919 21.64056 
1 1 1   11    3   40 o   49.503   13.930   26.682   26.183   24.360   27.967   43.157   74.498   40.265   14.869   58.741   23.559 -18.47596 27.85902 
1 1 1   11    4    1 f  1140.19   22.854 23134.32  919.508 21611.51  1300.34 24657.33  1300.42  1102.40   33.373  1177.98   31.234 -75.57922 45.70901 
1 1 1   11    4    3 o  1916.78   44.139 67325.92  2792.57 69257.66  3420.26 63462.91  4836.67  1966.38   49.212  1867.18   73.289 99.19556 88.27870 
1 1 1   11    4    5 o  1233.32   23.959 27109.69  1041.15 24659.06  1472.33 29560.80  1472.48  1177.09   35.390  1289.54   32.307 -112.4482 47.91814 
1 1 1   11    4    7 f  829.583   22.048 12549.04  600.681 11341.79  1040.10 13153.20  735.791  797.926   36.880  861.240   24.172 -63.31439 44.09556 
1 1 1   11    4    9 o  422.758   15.194  3151.53  214.487  3217.61  371.765  3118.57  262.599  425.861   24.699  419.656   17.704 6.205048 30.38893 
1 1 1   11    4   11 o   83.009   10.475  124.086   30.063  116.752   42.488  131.437   42.542   79.838   15.616   86.181   13.966 -6.342102 20.95074 
1 1 1   11    4   13 o  1002.42   28.930 18028.09  1022.89 16710.72  1446.39 19346.16  1446.78  965.230   42.397  1039.61   39.374 -74.38104 57.86045 
1 1 1   11    4   15 o  206.483   9.7813  755.341   71.339  782.424  100.550  727.891  101.230  210.221   13.533  202.746   14.127 7.475098 19.56260 
1 1 1   11    4   17 f  621.688   14.453  6872.54  317.303  6539.74  448.631  7205.64  448.836  606.536   20.927  636.840   19.941 -30.30353 28.90634 
1 1 1   11    4   19 o  182.124   12.462  590.047   75.816  590.724   93.146  588.718  130.506  182.459   14.444  181.790   20.311 0.6696625 24.92346 
1 1 1   11    4   21 o  306.238   13.411  1650.80  137.604  1603.34  168.422  1746.07  238.643  300.163   15.875  312.314   21.619 -12.15094 26.82176 
1 1 1   11    4   23 o  448.590   18.613  3646.48  294.525  3906.43  416.724  3387.03  416.319  464.964   25.358  432.216   27.252 32.74829 37.22509 
1 1 1   11    4   25 o  268.262   12.742  1267.93  113.830  1227.65  138.382  1352.21  200.173  262.347   14.924  274.177   20.656 -11.83041 25.48350 
1 1 1   11    4   27 o   99.264   16.887  186.697   58.553  200.888   80.081  170.395   85.831  103.457   22.538   95.071   25.154 8.385941 33.77371 
1 1 1   11    4   29 o  172.105   16.082  537.123   97.440  531.385  131.804  544.040  144.700  171.283   21.772  172.928   23.675 -1.644379 32.16366 
1 1 1   11    4   31 o  136.762   13.743  339.571   64.948  330.352  102.442  345.766   83.984  134.865   21.491  138.659   17.137 -3.793854 27.48698 
1 1 1   11    4   33 o  214.637   17.176  851.917  129.161  886.532  174.048  809.488  192.693  220.160   22.367  209.113   26.071 11.04701 34.35122 
1 1 1   11    4   35 o  236.551   22.711  1033.12  189.883  1033.12  189.883   0.0000   0.0000  236.551   22.711  ?   ?       ?      ? 
1 1 1   11    4   37 f   67.788   17.247   73.162   43.442   73.670   47.537   70.588  106.983   63.053   19.419   72.524   28.507 -9.471413 34.49305 
1 1 1   11    5    0 o  330.991   11.607  1940.19  135.660  1843.80  191.848  2036.59  191.857  322.751   16.818  339.231   16.002 -16.47980 23.21398 
1 1 1   11    5    2 o  1812.38   33.974 58874.70  2171.87 54613.55  3071.47 63136.00  3071.52  1745.86   49.775  1878.91   46.252 -133.0433 67.94722 
1 1 1   11    5    4 o  1917.49   44.041 66861.65  2800.11 65038.41  4849.71 67773.40  3429.50  1890.35   72.586  1944.64   49.897 -54.28210 88.08179 
1 1 1   11    5    6 o  610.008   14.742  6595.19  317.685  6348.19  449.246  6842.27  449.304  598.550   21.236  621.466   20.455 -22.91589 29.48494 
1 1 1   11    5    8 o  242.696   13.078  1043.37  105.625  1042.73  183.361  1043.69  129.219  242.550   21.389  242.842   15.055 -0.2923126 26.15596 
1 1 1   11    5   10 o  480.852   15.539  3949.90  252.628  3620.95  309.264  4609.58  437.961  452.052   19.356  509.652   24.313 -57.60046 31.07724 
1 1 1   11    5   12 o  460.310   13.442  3758.54  218.418  3540.54  308.823  3976.73  308.957  446.905   19.551  473.715   18.453 -26.81024 26.88412 
1 1 1   11    5   14 o  840.895   25.116 12667.36  744.905 13618.71  1054.26 11718.92  1052.65  872.847   34.173  808.942   36.817 63.90509 50.23255 
1 1 1   11    5   16 o  252.626   10.951  1132.29   97.629  1208.32  138.293  1056.75  137.845  261.113   14.985  244.139   15.975 16.97350 21.90292 
1 1 1   11    5   18 o  343.901   10.936  2100.14  132.795  1992.33  187.645  2208.30  187.956  335.018   15.847  352.783   15.074 -17.76559 21.87127 
1 1 1   11    5   20 o  261.124   10.995  1212.44  101.461  1189.52  143.154  1235.57  143.823  258.633   15.660  263.615   15.436 -4.982025 21.98901 
1 1 1   11    5   22 o  296.056   11.335  1562.10  118.595  1532.02  167.181  1592.57  168.262  293.171   16.134  298.941   15.925 -5.769775 22.66975 
1 1 1   11    5   24 o  269.209   16.268  1307.72  154.723  1256.36  217.549  1360.28  220.098  263.781   23.334  274.636   22.674 -10.85501 32.53636 
1 1 1   11    5   26 o   96.960   16.085  176.525   54.147  171.454   75.139  182.003   78.097   95.520   22.608   98.399   22.887 -2.878441 32.17046 
1 1 1   11    5   28 o  166.063   13.488  501.322   75.706  478.826  125.484  514.197   94.930  162.635   21.830  169.491   15.847 -6.856873 26.97522 
1 1 1   11    5   30 o  246.758   16.111  1105.68  140.394  1064.70  193.830  1150.91  203.625  241.993   22.662  251.523   22.905 -9.530243 32.22134 
1 1 1   11    5   32 o   68.882   16.438   58.083   36.768   44.505   39.887  134.858   94.846   51.953   17.910   85.812   27.569 -33.85907 32.87587 
1 1 1   11    5   34 o   79.932   17.845   98.698   46.707   84.738   51.754  159.979  108.435   67.631   20.145   92.233   29.462 -24.60189 35.69060 
1 1 1   11    5   36 o  118.754   22.726  269.885   91.911  269.885   91.911   0.0000   0.0000  118.754   22.726  ?   ?       ?      ? 
1 1 1   11    5   38 o   29.584   11.688   8.9539   18.069   8.9539   18.069   0.0000   0.0000   29.584   11.688  ?   ?       ?      ? 
1 1 1   11    5   40 o  108.994   19.560  242.121   70.574  226.264   83.899  280.492  130.513  105.646   23.112  112.342   31.563 -6.695686 39.12019 
1 1 1   11    6    1 o  257.509   14.101  1203.00  119.316  1094.82  206.908  1256.89  146.045  248.511   23.556  266.507   15.504 -17.99605 28.20101 
1 1 1   11    6    3 o  1350.65   37.988 32817.04  1809.74 30429.76  2559.62 35203.32  2559.09  1300.65   55.680  1400.65   51.694 -100.0001 75.97660 
1 1 1   11    6    5 o  1177.65   28.233 24761.49  1106.85 24693.11  1917.44 24795.66  1355.50  1174.54   46.189  1180.77   32.480 -6.233276 56.46527 
1 1 1   11    6    7 o  253.548   13.606  1126.95  115.631  1176.06  199.898  1102.25  141.754  257.563   21.959  249.533   16.073 8.029938 27.21228 
1 1 1   11    6    9 o  353.981   17.203  2227.96  214.622  2036.91  303.624  2418.76  303.420  338.720   25.361  369.242   23.249 -30.52151 34.40557 
1 1 1   11    6   11 o  640.326   15.399  7273.86  348.508  7307.85  492.827  7239.85  492.901  641.828   21.725  638.824   21.830 3.004761 30.79814 
1 1 1   11    6   13 o  367.521   11.977  2401.55  154.769  2117.55  218.665  2686.67  219.090  345.616   17.900  389.426   15.918 -43.81055 23.95406 
1 1 1   11    6   15 o  440.340   18.120  3458.65  281.431  3204.28  397.806  3713.53  398.201  423.982   26.546  456.698   24.669 -32.71689 36.23904 
1 1 1   11    6   17 o  105.116   10.873  205.143   36.746  116.096   50.679  303.851   53.358   79.253   18.439  130.979   11.526 -51.72604 21.74530 
1 1 1   11    6   19 o  285.672   10.204  1466.17  100.936  1122.94  141.960  1817.10  143.544  251.305   15.983  320.040   12.690 -68.73486 20.40772 
1 1 1   11    6   21 o   75.827   14.327   97.838   35.726   86.950   41.662  128.086   69.440   68.499   17.226   83.154   22.899 -14.65548 28.65483 
1 1 1   11    6   23 o  261.914   13.734  1253.96  117.385  1296.32  142.521  1164.62  206.983  269.687   14.952  254.141   23.043 15.54556 27.46895 
1 1 1   11    6   25 o   70.098   14.007   87.808   35.892  109.575   56.516   73.094   46.465   76.693   20.468   63.503   19.127 13.19049 28.01439 
1 1 1   11    6   27 o  234.390   13.529  1048.23  102.907  817.943  173.254  1173.77  127.915  212.332   23.086  256.448   14.112 -44.11514 27.05772 
1 1 1   11    6   29 o  153.423   14.755  416.124   78.910  335.353  103.759  526.924  121.525  136.042   21.579  170.803   20.130 -34.76013 29.51076 
1 1 1   11    6   31 o  130.856   19.214  329.681   83.954  348.351  104.911  296.433  139.999  138.394   21.448  123.318   31.885 15.07678 38.42724 
1 1 1   11    6   33 o   90.828   12.802   41.464   26.683   19.069   27.568  373.644  106.175   38.585   14.653  143.071   20.997 -104.4859 25.60439 
1 1 1   11    6   35 o  107.572   32.942  229.445  137.017   0.0000   0.0000  229.445  137.017  ?   ?   107.572   32.942      ?      ? 
1 1 1   11    6   37 o   27.410   13.920 -259.5423   70.842   0.0000   0.0000 -259.5423   70.842  ?   ?    27.410   13.920      ?      ? 
1 1 1   11    7    0 o  1109.25   28.547 22479.82  1040.46 20452.68  1802.37 23492.98  1274.21  1068.78   47.713  1149.72   31.356 -80.93835 57.09399 
1 1 1   11    7    2 o  276.606   16.445  1482.65  142.778  1054.28  247.599  1696.05  174.761  243.652   28.751  309.560   15.973 -65.90884 32.89027 
1 1 1   11    7    4 o  792.945   19.101 11153.02  504.695 11189.98  874.530 11134.56  617.991  793.329   31.189  792.560   22.061 0.7695923 38.20277 
1 1 1   11    7    6 o  680.854   20.184  8425.92  451.972  7704.96  783.201  8785.90  553.423  657.786   33.688  703.922   22.244 -46.13660 40.36882 
1 1 1   11    7    8 f  429.727   17.359  3434.24  241.582  2864.66  418.819  3718.24  295.739  401.325   29.526  458.130   18.264 -56.80530 34.71869 
1 1 1   11    7   10 o  256.946   15.567  1180.48  139.464  1410.55  198.070  954.273  196.403  282.062   19.868  231.829   23.970 50.23300 31.13318 
1 1 1   11    7   12 o  506.626   17.967  4742.04  296.504  4083.21  513.589  5071.41  363.132  478.522   30.366  534.731   19.214 -56.20819 35.93440 
1 1 1   11    7   14 o  309.449   14.283  1765.20  144.362  1523.00  249.018  1887.80  177.172  292.531   24.085  326.368   15.359 -33.83780 28.56523 
1 1 1   11    7   16 o  349.616   15.803  2168.93  195.279   0.0000   0.0000  2168.93  195.279  ?   ?   349.616   15.803      ?      ? 
1 1 1   11    7   18 o  553.868   15.950  5333.48  297.826  5986.85  516.046  5007.17  364.691  577.772   25.270  529.965   19.470 47.80664 31.90076 
1 1 1   11    7   20 o  382.632   14.104  2531.06  182.401  2917.42  315.690  2337.45  223.480  403.273   22.148  361.990   17.467 41.28400 28.20723 
1 1 1   11    7   22 f  248.638   12.992  1118.97  107.250  1067.81  184.547  1145.06  131.790  243.744   21.422  253.532   14.707 -9.788101 25.98439 
1 1 1   11    7   24 o  152.130   13.863  395.972   72.215  498.714  122.065  340.647   89.573  166.434   20.750  137.826   18.388 28.60851 27.72523 
1 1 1   11    7   26 o  115.205   13.359  257.836   49.876  182.645   77.792  310.319   64.992   98.523   22.793  131.888   13.942 -33.36557 26.71865 
1 1 1   11    7   28 f  103.604   19.225  199.280   67.808   0.0000   0.0000  199.280   67.808  ?   ?   103.604   19.225      ?      ? 
1 1 1   11    7   30 o  103.420   27.999  204.792  104.855   0.0000   0.0000  204.792  104.855  ?   ?   103.420   27.999      ?      ? 
1 1 1   11    7   36 o   92.708   16.405  166.168   53.213  159.005   70.309  175.773   81.416   90.612   22.142   94.804   24.212 -4.191849 32.80948 
1 1 1   11    7   38 o   82.396   21.744  134.031   64.244  134.031   64.244   0.0000   0.0000   82.396   21.744  ?   ?       ?      ? 
1 1 1   11    7   40 o   86.794   20.374  130.281   55.389  115.479   59.584  224.427  150.270   75.496   21.367   98.092   34.698 -22.59527 40.74888 
1 1 1   11    8    1 o  223.624   13.739  941.446   98.416  745.129  171.086  1038.53  120.315  204.980   23.615  242.268   14.051 -37.28818 27.47876 
1 1 1   11    8    3 o  651.915   19.680  7770.50  420.333  6935.58  728.423  8187.29  514.664  624.212   33.017  679.618   21.426 -55.40588 39.35935 
1 1 1   11    8    5 o  1172.74   28.070 24498.56  1097.81 24799.33  1901.95 24348.29  1344.36  1176.02   45.758  1169.46   32.524 6.557251 56.13913 
1 1 1   11    8    7 o  440.155   16.611  3512.42  240.627  3229.33  417.142  3653.60  294.578  426.212   27.691  454.098   18.354 -27.88571 33.22132 
1 1 1   11    8    9 o  275.188   14.152  1383.62  127.589  1230.06  220.913  1460.49  156.291  263.190   23.748  287.186   15.398 -23.99609 28.30309 
1 1 1   11    8   11 o  477.986   16.126  3977.37  259.065  4317.89  449.032  3807.48  317.176  492.671   25.787  463.301   19.369 29.37018 32.25120 
1 1 1   11    8   13 o  353.833   17.560  2239.53  218.138  1945.96  308.797  2531.96  308.191  330.402   26.443  377.265   23.113 -46.86270 35.12030 
1 1 1   11    8   15 f  362.417   16.834  2352.02  214.180  2672.88  303.609  2034.16  302.189  387.341   22.177  337.493   25.333 49.84811 33.66894 
1 1 1   11    8   17 o  512.216   16.230  4685.55  277.059  4714.32  479.832  4671.16  339.343  512.373   26.496  512.058   18.750 0.3157959 32.45927 
1 1 1   11    8   19 o  413.384   15.670  3019.62  217.404  3209.19  375.946  2924.37  266.481  422.100   25.199  404.669   18.631 17.43124 31.33913 
1 1 1   11    8   21 f   83.878   12.751  138.535   36.440   89.114   59.252  168.600   46.214   70.401   21.680   97.355   13.430 -26.95450 25.50284 
1 1 1   11    8   23 o  242.966   22.592  1066.02  194.005   0.0000   0.0000  1066.02  194.005  ?   ?   242.966   22.592      ?      ? 
1 1 1   11    8   25 o   95.199   23.810  170.818   79.910   0.0000   0.0000  170.818   79.910  ?   ?    95.199   23.810      ?      ? 
1 1 1   11    8   27 o  290.119   23.689  1531.35  242.909   0.0000   0.0000  1531.35  242.909  ?   ?   290.119   23.689      ?      ? 
1 1 1   11    8   29 o  193.996   21.991  684.159  150.782  684.159  150.782   0.0000   0.0000  193.996   21.991  ?   ?       ?      ? 
1 1 1   11    8   31 o  143.438   21.526  375.162  109.131  375.162  109.131   0.0000   0.0000  143.438   21.526  ?   ?       ?      ? 
1 1 1   11    8   33 o   80.428   17.842  108.539   49.048   98.504   55.418  144.817  105.370   72.415   20.646   88.442   29.105 -16.02719 35.68357 
1 1 1   11    8   35 o   86.871   16.607  142.963   54.711  206.650   79.101   84.553   75.754  103.637   22.259   70.105   24.653 33.53192 33.21473 
1 1 1   11    8   37 o   85.179   21.901  142.442   66.303  142.442   66.303   0.0000   0.0000   85.179   21.901  ?   ?       ?      ? 
1 1 1   11    8   39 o   47.680   14.831   18.350   25.076   20.619   25.708 -26.1432  113.853   37.856   14.201   57.505   26.042 -19.64889 29.66200 
1 1 1   11    9    0 o  540.276   19.976  5195.50  380.446  4760.03  538.033  5630.97  538.032  517.472   29.417  563.081   27.034 -45.60913 39.95289 
1 1 1   11    9    2 o  302.385   15.742  1686.85  154.819  1446.34  268.685  1806.39  189.427  285.372   26.639  319.398   16.780 -34.02582 31.48305 
1 1 1   11    9    4 o  282.482   15.384  1506.70  139.080  1183.50  241.453  1667.19  170.140  258.103   26.468  306.862   15.687 -48.75952 30.76746 
1 1 1   11    9    6 o  679.216   21.959  8587.46  483.732  7223.96  838.070  9268.67  592.370  635.792   37.295  722.639   23.193 -86.84760 43.91792 
1 1 1   11    9    8 o  367.509   17.276  2400.40  224.350  2341.21  317.085  2459.73  317.474  362.948   24.718  372.069   24.142 -9.121368 34.55124 
1 1 1   11    9   10 o  649.187   22.391  7535.73  512.739  6999.48  725.553  8070.71  724.693  625.839   32.801  672.534   30.487 -46.69476 44.78147 
1 1 1   11    9   12 o  592.134   17.443  6154.49  346.377  6531.51  600.106  5966.13  424.166  604.849   28.071  579.419   20.712 25.43036 34.88523 
1 1 1   11    9   14 o  535.933   19.914  5144.79  377.211  5169.61  533.815  5120.02  533.101  537.237   28.113  534.629   28.212 2.608093 39.82785 
1 1 1   11    9   16 o  804.921   35.870 11794.70  1020.49   0.0000   0.0000 11794.70  1020.49  ?   ?   804.921   35.870      ?      ? 
1 1 1   11    9   18 o  422.486   25.703  3217.63  383.817   0.0000   0.0000  3217.63  383.817  ?   ?   422.486   25.703      ?      ? 
1 1 1   11    9   20 o  200.495   22.070  722.931  156.399   0.0000   0.0000  722.931  156.399  ?   ?   200.495   22.070      ?      ? 
1 1 1   11    9   22 o  230.598   22.469  959.838  183.130   0.0000   0.0000  959.838  183.130  ?   ?   230.598   22.469      ?      ? 
1 1 1   11    9   24 o  173.646   15.324  544.894   94.003  523.675  132.636  566.309  133.247  170.182   22.051  177.110   21.286 -6.928665 30.64866 
1 1 1   11    9   26 o  283.740   15.925  1461.97  159.240  1329.31  224.103  1597.26  226.313  270.417   23.447  297.062   21.555 -26.64511 31.84938 
1 1 1   11    9   28 o   63.221   15.137   47.526   31.642   35.305   34.453  113.386   79.980   47.223   16.624   79.219   25.302 -31.99611 30.27467 
1 1 1   11    9   30 o  165.917   17.294  508.745   99.515  522.063  130.033  489.917  154.606  169.222   21.741  162.612   26.900 6.610321 34.58730 
1 1 1   11    9   32 o  221.703   17.470  916.895  135.428  959.476  181.774  863.773  203.032  228.403   22.517  215.003   26.718 13.39977 34.94062 
1 1 1   11    9   34 o   97.710   18.558  173.874   59.953  157.453   70.078  218.705  115.791   90.457   22.106  104.963   29.814 -14.50567 37.11571 
1 1 1   11    9   36 o   48.158   15.189   6.1044   15.265   5.1007   15.414   57.271  110.054   26.210   10.644   70.106   28.452 -43.89599 30.37775 
1 1 1   11    9   38 o  110.954   20.746  265.519   77.903  269.807   91.816  254.496  147.196  115.806   23.240  106.101   34.372 9.705460 41.49112 
1 1 1   11   10    1 o  476.586   26.694  4036.23  449.648  4036.23  449.648   0.0000   0.0000  476.586   26.694  ?   ?       ?      ? 
1 1 1   11   10    3 o  756.915   33.927 10219.14  907.647 10219.14  907.647   0.0000   0.0000  756.915   33.927  ?   ?       ?      ? 
1 1 1   11   10    5 o  860.631   26.038 13262.75  790.659 14160.11  1118.42 12366.21  1117.90  890.116   35.550  831.146   38.054 58.96918 52.07625 
1 1 1   11   10    7 o  505.446   19.240  4561.83  342.018  5086.02  484.039  4039.16  483.334  534.743   25.610  476.149   28.720 58.59399 38.48021 
1 1 1   11   10    9 o  429.250   18.186  3281.09  275.885  3335.36  390.056  3226.75  390.264  432.831   25.497  425.670   25.940 7.160797 36.37256 
1 1 1   11   10   11 o  453.381   19.207  3651.48  307.784   0.0000   0.0000  3651.48  307.784  ?   ?   453.381   19.207      ?      ? 
1 1 1   11   10   13 o  507.416   20.395  4584.76  365.771   0.0000   0.0000  4584.76  365.771  ?   ?   507.416   20.395      ?      ? 
1 1 1   11   10   15 o  304.073   23.393  1655.84  251.411   0.0000   0.0000  1655.84  251.411  ?   ?   304.073   23.393      ?      ? 
1 1 1   11   10   17 o  161.642   21.713  468.478  124.049   0.0000   0.0000  468.478  124.049  ?   ?   161.642   21.713      ?      ? 
1 1 1   11   10   19 o  107.521   16.456  217.358   60.850  252.144   85.348  181.397   86.778  116.710   21.482   98.333   24.933 18.37667 32.91104 
1 1 1   11   10   21 o   90.694   15.498  153.956   49.126  146.997   68.451  161.347   70.545   88.585   21.970   92.803   21.866 -4.217537 30.99673 
1 1 1   11   10   23 o   54.176   12.643   49.673   28.019   57.206   42.044   43.655   37.579   57.124   18.356   51.229   17.391 5.895275 25.28584 
1 1 1   11   10   25 o  256.232   14.071  1200.40  120.116  1132.64  204.425  1236.13  148.444  249.719   23.161  262.744   15.985 -13.02550 28.14177 
1 1 1   11   10   27 f   83.894   12.894  132.746   37.842   98.728   56.107  161.136   51.256   72.922   20.768   94.866   15.287 -21.94415 25.78727 
1 1 1   11   10   29 o  104.558   17.756  203.904   62.520  192.310   77.369  225.718  106.130  100.820   22.303  108.296   27.636 -7.476494 35.51287 
1 1 1   11   10   31 o  207.987   14.199  779.136  101.113  825.817  166.832  752.032  127.122  212.134   22.251  203.840   17.645 8.294159 28.39777 
1 1 1   11   10   33 o  175.970   21.996  572.999  136.802  572.999  136.802   0.0000   0.0000  175.970   21.996  ?   ?       ?      ? 
1 1 1   11   10   35 o   73.623   20.877  104.116   56.827  104.116   56.827   0.0000   0.0000   73.623   20.877  ?   ?       ?      ? 
1 1 1   11   10   37 o   60.854   16.814   34.540   29.602   28.857   30.662  112.468  113.547   42.913   15.612   78.795   29.783 -35.88242 33.62704 
1 1 1   11   10   39 f   87.387   19.863  168.758   65.351  177.107   73.924  138.890  139.814   92.298   22.795   82.477   32.535 9.821396 39.72603 
1 1 1   11   11    0 o  592.588   20.972  6266.58  437.828  5688.00  619.213  6845.04  619.151  564.966   31.010  620.210   28.245 -55.24347 41.94481 
1 1 1   11   11    2 o  802.920   24.897 11529.46  706.112 11993.22  998.820 11066.13  998.368  819.252   34.494  786.587   35.911 32.66443 49.79403 
1 1 1   11   11    4 o   93.378   16.450  161.950   54.942  120.472   78.676  201.431   76.758   82.127   24.923  104.630   21.476 -22.50301 32.89971 
1 1 1   11   11    6 o  244.844   22.595  1065.34  195.536   0.0000   0.0000  1065.34  195.536  ?   ?   244.844   22.595      ?      ? 
1 1 1   11   11   10 o  632.575   30.627  7176.25  684.758   0.0000   0.0000  7176.25  684.758  ?   ?   632.575   30.627      ?      ? 
1 1 1   11   11   12 o  590.729   29.605  6276.84  618.128   0.0000   0.0000  6276.84  618.128  ?   ?   590.729   29.605      ?      ? 
1 1 1   11   11   14 o  346.287   16.964  2151.88  207.482  2245.29  293.701  2058.82  293.147  353.900   23.480  338.675   24.490 15.22488 33.92746 
1 1 1   11   11   16 o   47.153   11.786   34.296   24.550   30.143   34.168   38.729   35.297   45.396   16.486   48.910   16.849 -3.513405 23.57236 
1 1 1   11   11   18 o   97.992   25.415  180.186   88.770   0.0000   0.0000  180.186   88.770  ?   ?    97.992   25.415      ?      ? 
1 1 1   11   11   20 o  291.002   17.216  1538.21  176.599  1636.73  247.094  1435.33  252.492  300.872   23.236  281.132   25.411 19.73981 34.43276 
1 1 1   11   11   22 o  205.330   13.768  763.330   94.531  743.131  161.123  773.933  116.734  202.636   22.497  208.025   15.877 -5.389175 27.53504 
1 1 1   11   11   24 o   71.294   14.592   92.247   38.660   80.885   51.152  107.384   59.040   66.630   20.069   75.957   21.190 -9.326836 29.18466 
1 1 1   11   11   26 o  196.540   16.831  708.258  116.048  746.242  157.769  663.481  171.300  202.752   22.016  190.329   25.464 12.42296 33.66195 
1 1 1   11   11   28 o  115.160   16.752  251.602   65.754  259.142   89.821  242.896   96.522  117.380   22.469  112.941   24.854 4.439468 33.50471 
1 1 1   11   11   30 o   73.926   16.078  101.671   48.091  133.272   63.285   58.483   73.983   83.820   21.313   64.033   24.077 19.78719 32.15519 
1 1 1   11   11   32 o   83.264   15.135  132.545   44.791  131.214   63.285  133.881   63.403   82.848   21.445   83.679   21.364 -0.8302765 30.27071 
1 1 1   11   11   34 o   74.785   16.764   71.597   38.248   53.880   41.328  177.322  100.958   55.113   18.232   94.457   28.137 -39.34320 33.52713 
1 1 1   11   11   36 o   45.172   14.187   8.6776   16.799   8.0058   17.059   30.232   96.623   28.497   11.325   61.846   26.015 -33.34979 28.37342 
1 1 1   11   11   38 o   28.775   11.474   8.2668   17.563   8.2668   17.563   0.0000   0.0000   28.775   11.474  ?   ?       ?      ? 
1 1 1   11   12    1 o  570.878   28.967  5810.14  584.477   0.0000   0.0000  5810.14  584.477  ?   ?   570.878   28.967      ?      ? 
1 1 1   11   12    7 o  557.471   28.693  5559.89  565.352  5559.89  565.352   0.0000   0.0000  557.471   28.693  ?   ?       ?      ? 
1 1 1   11   12    9 o  198.692   21.963  703.806  154.235  703.806  154.235   0.0000   0.0000  198.692   21.963  ?   ?       ?      ? 
1 1 1   11   12   11 o  570.015   17.539  5733.11  335.445  6109.54  580.783  5544.67  410.914  582.675   28.201  557.356   20.859 25.31940 35.07726 
1 1 1   11   12   13 o  181.875   13.357  576.475   81.978  637.189  141.332  545.691  100.637  188.684   21.193  175.066   16.264 13.61794 26.71431 
1 1 1   11   12   15 o  171.981   12.522  499.381   73.309  638.445  126.169  428.503   90.074  188.946   18.893  155.016   16.440 33.93019 25.04414 
1 1 1   11   12   17 o  249.824   16.050  1125.26  141.635  1168.80  200.202  1081.62  200.404  254.764   22.234  244.885   23.154 9.878159 32.10038 
1 1 1   11   12   19 f   80.076   16.186  119.072   47.675  123.206   61.723  112.957   75.061   81.222   21.255   78.929   24.417 2.293137 32.37212 
1 1 1   11   12   21 o  128.204   13.751  310.327   56.871  267.053   94.605  334.812   71.164  119.473   23.241  136.934   14.704 -17.46071 27.50134 
1 1 1   11   12   23 o  326.747   17.357  1947.12  200.310  1993.49  280.413  1898.80  286.240  330.952   23.972  322.543   25.109 8.409393 34.71488 
1 1 1   11   12   25 o  224.098   13.561  940.515  100.257  799.342  168.425  1017.99  124.771  209.652   22.729  238.543   14.799 -28.89148 27.12252 
1 1 1   11   12   27 o   79.289   13.034  119.717   34.115  109.191   60.416  124.645   41.335   76.378   21.481   82.200   14.770 -5.822128 26.06871 
1 1 1   11   12   29 o  122.708   12.926  277.051   49.745  275.096   90.673  277.893   59.498  120.873   22.036  124.542   13.517 -3.668922 25.85103 
1 1 1   11   12   31 o  201.378   13.716  786.448   88.751  619.253  152.031  872.883  109.311  182.526   23.566  220.230   14.043 -37.70355 27.43297 
1 1 1   11   12   33 o   95.634   15.028  176.832   49.438  168.587   71.919  184.218   68.071   93.203   22.157   98.064   20.308 -4.860390 30.05577 
1 1 1   11   12   35 o  105.691   19.925  253.134   81.620  325.622  100.903  115.932  138.821  128.535   23.058   82.847   32.503 45.68836 39.85083 
1 1 1   11   12   37 o   31.590   11.635  -0.0598   6.5675   0.3029   6.5827 -78.2711   96.671   15.962   6.7563   47.217   22.267 -31.25527 23.26910 
1 1 1   11   13    2 o  327.576   23.808  1911.44  275.647  1911.44  275.647   0.0000   0.0000  327.576   23.808  ?   ?       ?      ? 
1 1 1   11   13    4 o  326.249   23.772  1897.69  274.115  1897.69  274.115   0.0000   0.0000  326.249   23.772  ?   ?       ?      ? 
1 1 1   11   13    6 o  631.278   30.675  7162.94  684.432  7162.94  684.432   0.0000   0.0000  631.278   30.675  ?   ?       ?      ? 
1 1 1   11   13    8 o  269.831   16.829  1309.61  159.290  1485.58  224.578  1131.45  225.970  288.407   22.031  251.254   25.446 37.15324 33.65819 
1 1 1   11   13   10 o  138.454   16.443  350.890   78.114  388.945  109.130  310.907  111.860  147.506   20.932  129.401   25.365 18.10448 32.88652 
1 1 1   11   13   12 o   96.187   17.090  175.821   60.774  244.009   83.515   99.066   88.606  114.924   21.346   77.449   26.694 37.47542 34.17956 
1 1 1   11   13   14 o  237.019   13.498  999.260  107.128  1025.38  184.660  986.010  131.523  238.867   21.872  235.171   15.823 3.696976 26.99589 
1 1 1   11   13   16 o  507.081   16.841  4518.50  288.007  5077.91  498.384  4238.01  352.898  528.553   26.678  485.609   20.561 42.94418 33.68194 
1 1 1   11   13   18 o  160.192   21.670  463.016  122.694   0.0000   0.0000  463.016  122.694  ?   ?   160.192   21.670      ?      ? 
1 1 1   11   13   20 o  215.784   13.570  859.180   96.975  771.960  164.656  905.501  119.994  206.453   22.565  225.114   15.081 -18.66048 27.14081 
1 1 1   11   13   22 o  194.147   13.729  671.537   90.158  706.115  152.898  653.105  111.631  197.419   21.913  190.875   16.547 6.544083 27.45834 
1 1 1   11   13   24 o  165.404   12.115  500.457   61.986  472.687  119.840  510.599   72.427  161.533   20.990  169.274   12.106 -7.741180 24.23098 
1 1 1   11   13   26 o   90.492   12.682  158.604   36.450  130.086   65.479  171.410   43.877   83.013   21.973   97.972   12.671 -14.95899 25.36475 
1 1 1   11   13   28 o  106.854   12.988  238.303   41.180  152.728   74.959  275.294   49.283   89.489   23.425  124.220   11.225 -34.73035 25.97574 
1 1 1   11   13   30 o   70.389   14.539   89.052   38.603  120.547   59.687   66.404   50.614   79.547   20.942   61.231   20.173 18.31674 29.07738 
1 1 1   11   13   32 o   32.672   8.4147   14.784   13.037   5.9451   18.851   22.886   18.049   28.859   11.751   36.486   12.047 -7.627237 16.82949 
1 1 1   11   13   34 o  245.090   16.347  1143.20  140.787  1010.14  188.129  1312.56  212.253  228.954   23.248  261.226   22.989 -32.27269 32.69492 
1 1 1   11   13   36 o   86.803   19.055  162.208   62.253  172.013   72.911  135.829  119.585   91.624   22.645   81.983   30.653 9.640686 38.10993 
1 1 1   11   14    1 o  273.866   12.668  1254.52  117.826  1627.10  204.256  1068.70  144.246  302.434   19.108  245.299   16.637 57.13425 25.33645 
1 1 1   11   14    3 o  130.119   15.927  325.021   65.475  261.760  113.075  356.930   80.309  118.486   27.527  141.751   16.029 -23.26577 31.85359 
1 1 1   11   14    5 o  324.477   17.208  1889.90  196.731  2052.45  277.570  1725.81  278.874  338.728   23.185  310.226   25.434 28.50253 34.41514 
1 1 1   11   14    7 o  121.527   16.225  277.230   63.933  246.983  109.748  292.767   78.658  114.848   27.416  128.206   17.358 -13.35830 32.44959 
1 1 1   11   14    9 o   64.856   13.868   73.045   33.369   86.830   56.172   65.526   41.483   69.425   21.057   60.288   18.053 9.137047 27.73687 
1 1 1   11   14   11 o  201.893   14.347  726.527   96.811  742.126  167.308  718.675  118.702  203.072   23.310  200.715   16.732 2.356674 28.69387 
1 1 1   11   14   13 o  132.148   12.763  300.242   57.352  356.768   98.298  271.068   70.618  141.056   19.717  123.241   16.212 17.81502 25.52598 
1 1 1   11   14   15 o  528.207   16.664  4875.33  297.448  5627.44  514.870  4498.56  364.413  556.331   26.184  500.082   20.617 56.24915 33.32720 
1 1 1   11   14   17 o  325.806   13.540  1865.53  136.626  1996.28  272.104  1821.46  157.984  332.007   23.188  319.606   13.986 12.40103 27.07931 
1 1 1   11   14   19 o  147.081   10.614  384.443   55.178   0.0000   0.0000  384.443   55.178  ?   ?   147.081   10.614      ?      ? 
1 1 1   11   14   21 o  122.412   11.801  260.919   46.189  287.273   88.035  250.908   54.257  126.197   19.737  118.628   12.940 7.568924 23.60122 
1 1 1   11   14   23 o  196.465   13.330  678.283   89.427  765.740  150.441  630.493  111.208  205.590   20.704  187.340   16.795 18.24995 26.65926 
1 1 1   11   14   25 o  106.322   13.602  217.973   46.711  178.743   78.408  239.557   58.158   96.990   23.187  115.653   14.228 -18.66284 27.20392 
1 1 1   11   14   27 o   76.869   12.183  112.899   31.485   94.382   54.132  122.365   38.705   71.081   20.449   82.657   13.248 -11.57546 24.36548 
1 1 1   11   14   29 o   89.981   12.380  162.233   35.505  117.439   61.842  184.258   43.365   78.545   21.602  101.417   12.098 -22.87150 24.75903 
1 1 1   11   14   31 o  109.750   13.193  247.790   43.729  174.165   78.270  281.199   52.725   94.419   23.537  125.081   11.926 -30.66174 26.38593 
1 1 1   11   14   33 o  126.814   17.757  301.121   73.444  254.425   89.364  398.301  128.917  113.419   23.078  140.208   26.994 -26.78918 35.51418 
1 1 1   11   14   35 o   60.288   16.853   53.898   39.572   57.044   41.898   27.898  120.446   55.380   18.359   65.195   28.267 -9.815670 33.70543 
1 1 1   11   15    0 o  129.141   16.907  308.054   74.753  358.848  103.884  253.511  107.650  141.768   20.733  116.513   26.711 25.25411 33.81310 
1 1 1   11   15    2 o  235.138   16.305  993.158  135.026  1081.69  190.129  903.070  191.792  245.898   21.876  224.378   24.184 21.52042 32.61053 
1 1 1   11   15    4 o  191.709   18.147  687.072  114.915  890.957  161.672  478.885  163.369  223.225   20.491  160.192   29.955 63.03346 36.29359 
1 1 1   11   15    6 o  429.531   15.583  3194.99  226.249  3697.34  391.754  2943.58  277.141  453.259   24.454  405.804   19.323 47.45505 31.16650 
1 1 1   11   15    8 f  196.651   13.056  662.589   87.105  793.120  150.283  596.554  106.891  210.410   20.208  182.892   16.536 27.51787 26.11124 
1 1 1   11   15   10 o   86.363   13.216  134.257   37.796  154.186   64.130  123.650   46.786   90.958   20.445   81.768   16.752 9.189743 26.43175 
1 1 1   11   15   12 o  227.190   13.794  909.147  105.460  981.930  181.973  872.339  129.408  233.430   22.056  220.950   16.571 12.47932 27.58749 
1 1 1   11   15   14 o  267.464   13.638  1233.31  123.668  1467.69  213.548  1115.04  151.693  285.367   21.172  249.560   17.198 35.80698 27.27695 
1 1 1   11   15   16 o  202.419   13.025  702.308   89.636  859.275  154.223  622.234  110.152  218.435   19.976  186.403   16.719 32.03223 26.04945 
1 1 1   11   15   18 o  235.491   15.766  1009.50  130.201  1152.07  184.238  867.267  184.026  252.596   20.636  218.386   23.842 34.21065 31.53224 
1 1 1   11   15   20 o  199.997   11.532  686.419   72.837  786.250  142.912  651.386   84.658  208.817   19.363  191.176   12.529 17.64088 23.06328 
1 1 1   11   15   22 o  235.757   13.365  1019.13   96.360  971.488  189.781  1035.68  111.850  230.690   23.276  240.823   13.141 -10.13289 26.72900 
1 1 1   11   15   24 o  152.887   12.359  435.698   58.273  391.826  111.552  452.164   68.339  146.613   21.527  159.161   12.148 -12.54831 24.71824 
1 1 1   11   15   26 o  176.766   12.898  590.312   69.966  516.759  133.725  618.037   82.100  167.666   22.566  185.867   12.497 -18.20135 25.79516 
1 1 1   11   15   28 o  223.626   13.740  895.137   96.506  961.587  187.732  871.270  112.510  227.405   23.357  219.846   14.479 7.559204 27.48095 
1 1 1   11   15   30 o   84.599   13.890  139.993   40.730  115.418   61.839  158.824   54.130   77.427   21.717   91.772   17.323 -14.34471 27.77952 
1 1 1   11   15   32 o  110.983   31.172  262.051  127.315   0.0000   0.0000  262.051  127.315  ?   ?   110.983   31.172      ?      ? 
1 1 1   11   16    1 f  284.303   13.335  1379.04  128.578  1676.87  222.471  1229.66  157.558  306.009   20.569  262.596   16.976 43.41312 26.66976 
1 1 1   11   16    3 o   68.696   14.801   85.054   39.106   87.651   52.684   81.867   58.360   69.310   20.241   68.081   21.600 1.228973 29.60173 
1 1 1   11   16    5 o  201.899   17.678  752.687  121.997  959.275  171.539  541.254  173.539  231.213   20.991  172.586   28.449 58.62689 35.35501 
1 1 1   11   16    7 o  173.905   18.353  569.333  105.928  728.511  148.602  404.895  151.037  201.405   20.875  146.406   30.191 54.99876 36.70522 
1 1 1   11   16    9 o  328.573   17.813  1965.02  205.574  2201.19  289.821  1725.89  291.638  349.062   23.491  308.083   26.783 40.97958 35.62520 
1 1 1   11   16   11 o  207.689   15.601  778.423  114.521  779.400  162.148  777.450  161.769  207.817   22.075  207.562   22.051 0.2553253 31.20207 
1 1 1   11   16   13 o   84.779   15.024  135.401   43.451  127.727   74.402  139.374   53.528   82.970   24.004   86.588   18.074 -3.617981 30.04792 
1 1 1   11   16   15 o  174.420   11.871  524.202   70.418  621.737  120.598  473.744   86.742  186.024   18.342  162.816   15.073 23.20824 23.74114 
1 1 1   11   16   17 o  247.541   13.838  1057.45  116.297  1274.97  200.441  947.074  142.788  265.441   21.365  229.642   17.592 35.79936 27.67559 
1 1 1   11   16   19 o  390.685   25.265  2793.36  348.878   0.0000   0.0000  2793.36  348.878  ?   ?   390.685   25.265      ?      ? 
1 1 1   11   16   21 o  102.530   13.265  196.164   45.465  180.699   72.842  206.034   58.191   97.876   21.632  107.185   15.361 -9.308350 26.53094 
1 1 1   11   16   23 o  356.183   14.942  2313.98  178.239  2305.78  304.314  2318.26  219.906  353.944   24.326  358.422   17.359 -4.477966 29.88437 
1 1 1   11   16   25 o   42.702   10.925   26.672   20.866   33.070   33.042   22.429   26.911   45.819   16.264   39.584   14.592 6.234562 21.84996 
1 1 1   11   16   27 o  265.257   16.228  1275.83  152.141   0.0000   0.0000  1275.83  152.141  ?   ?   265.257   16.228      ?      ? 
1 1 1   11   16   29 o  119.677   16.053  261.341   67.901   0.0000   0.0000  261.341   67.901  ?   ?   119.677   16.053      ?      ? 
1 1 1   11   16   31 o   57.780   16.693   63.372   36.006   0.0000   0.0000   63.372   36.006  ?   ?    57.780   16.693      ?      ? 
1 1 1   11   16   33 f   33.408   13.001   13.548   22.072   13.548   22.072   0.0000   0.0000   33.408   13.001  ?   ?       ?      ? 
1 1 1   11   17    0 o  158.117   13.753  440.788   73.150  471.091  126.051  425.400   89.823  161.844   22.036  154.390   16.461 7.454071 27.50516 
1 1 1   11   17    2 o  352.612   14.462  2202.36  171.033  2325.72  295.749  2140.39  209.645  359.117   23.301  346.107   17.138 13.00931 28.92440 
1 1 1   11   17    4 o   40.578   9.7121   27.255   17.044   13.599   27.406   35.867   21.764   36.646   14.421   44.510   13.013 -7.863991 19.42430 
1 1 1   11   17    6 o  264.212   13.725  1197.33  123.023  1451.87  212.626  1069.24  150.833  283.992   21.183  244.432   17.459 39.55960 27.45067 
1 1 1   11   17    8 o  424.850   15.534  3170.27  222.538  3547.64  384.973  2980.89  272.721  442.194   24.632  407.506   18.935 34.68781 31.06864 
1 1 1   11   17   10 o  241.673   17.553  1073.36  147.525  1276.94  207.459  865.118  209.824  265.817   22.082  217.529   27.291 48.28813 35.10546 
1 1 1   11   17   12 o  219.587   22.259  872.782  172.756  872.782  172.756   0.0000   0.0000  219.587   22.259  ?   ?       ?      ? 
1 1 1   11   17   14 o  475.723   21.143  4216.98  350.655  4967.72  494.915  3460.24  496.892  520.593   26.898  430.853   32.630 89.74008 42.28681 
1 1 1   11   17   16 o  171.596   13.750  513.706   79.976  591.792  137.451  473.738   98.337  180.747   21.516  162.445   17.127 18.30190 27.50031 
1 1 1   11   17   18 o  344.560   15.155  2113.50  176.032  2294.14  302.677  2021.17  216.393  354.228   24.176  334.891   18.282 19.33688 30.30973 
1 1 1   11   17   20 o  264.892   16.058  1260.92  150.339   0.0000   0.0000  1260.92  150.339  ?   ?   264.892   16.058      ?      ? 
1 1 1   11   17   22 o  257.236   12.771  1183.34  116.114   0.0000   0.0000  1183.34  116.114  ?   ?   257.236   12.771      ?      ? 
1 1 1   11   17   26 o  168.416   15.909  514.415   94.698   0.0000   0.0000  514.415   94.698  ?   ?   168.416   15.909      ?      ? 
1 1 1   11   17   28 f   47.676   11.192   39.783   21.796   37.569   34.458   41.260   28.141   47.600   16.633   47.752   14.980 -0.1517792 22.38437 
1 1 1   11   17   30 o  108.559   12.980  235.001   43.826  195.930   77.478  253.384   53.145   99.100   22.619  118.018   12.741 -18.91788 25.96015 
1 1 1   11   17   32 o   62.927   15.110   21.649   21.929   12.474   22.536  185.310   95.176   33.185   13.071   92.668   27.247 -59.48240 30.22013 
1 1 1   11   18    1 o  210.278   12.929  759.900   92.245  909.031  159.103  684.386  113.215  224.883   20.017  195.674   16.370 29.20943 25.85855 
1 1 1   11   18    3 o  550.290   22.432  5646.85  428.333  6820.91  605.125  4467.89  606.385  610.804   28.030  489.776   35.029 121.0287 44.86346 
1 1 1   11   18    5 o   49.342   11.770   37.613   24.007   55.046   39.044   27.014   30.443   55.821   17.663   42.863   15.562 12.95832 23.54010 
1 1 1   11   18    7 o  132.960   14.339  323.965   61.948  319.748  106.076  326.147   76.313  130.884   23.807  135.036   15.989 -4.152054 28.67821 
1 1 1   11   18    9 o  330.591   14.746  1929.94  164.082  2113.07  283.704  1837.90  201.134  341.174   23.527  320.009   17.783 21.16455 29.49173 
1 1 1   11   18   11 f  219.249   14.000  846.165  103.481  934.486  178.648  801.568  126.947  227.085   22.258  211.413   16.989 15.67204 28.00100 
1 1 1   11   18   13 o  420.554   15.485  3144.52  219.250  3407.62  377.963  3011.09  269.165  432.101   24.748  409.006   18.620 23.09518 30.97029 
1 1 1   11   18   15 o   77.532   16.965  112.387   51.353  130.553   63.551   78.212   87.168   83.319   21.452   71.744   26.289 11.57558 33.93096 
1 1 1   11   18   17 o  414.599   26.402  3170.48  386.890   0.0000   0.0000  3170.48  386.890  ?   ?   414.599   26.402      ?      ? 
1 1 1   11   18   21 o   55.989   18.561   54.408   42.827   0.0000   0.0000   54.408   42.827  ?   ?    55.989   18.561      ?      ? 
1 1 1   11   18   23 f   77.388   14.843  113.671   41.674  105.753   58.522  121.816   59.359   74.789   21.179   79.987   20.801 -5.198235 29.68559 
1 1 1   11   18   25 o  123.757   13.474  290.975   50.645  272.622   95.318  298.194   59.782  118.840   23.526  128.674   13.145 -9.834343 26.94892 
1 1 1   11   18   27 o   47.353   11.886   32.686   24.345   52.002   40.852   22.048   30.317   54.202   18.134   40.503   15.370 13.69966 23.77123 
1 1 1   11   18   29 o   41.611   10.372   28.455   18.668   28.076   30.007   28.694   23.845   42.393   15.441   40.828   13.853 1.565048 20.74433 
1 1 1   11   18   31 o   80.374   18.434  126.142   53.204  117.611   60.521  155.162  111.623   75.940   21.549   84.808   29.915 -8.867462 36.86800 
1 1 1   11   19    0 o   83.064   13.388  127.298   40.201  177.092   57.220   78.763   56.491   99.485   16.273   66.644   21.263 32.84097 26.77516 
1 1 1   11   19    2 o  361.753   17.796  2385.11  227.253  2508.93  320.538  2259.98  322.237  371.517   24.411  351.989   25.902 19.52841 35.59174 
1 1 1   11   19    4 o  198.594   12.651  709.656   83.898  702.501  144.081  713.326  103.200  197.324   20.659  199.865   14.609 -2.541641 25.30239 
1 1 1   11   19    6 o  127.258   12.838  274.013   55.763  360.608   95.252  228.858   68.783  141.559   19.038  112.956   17.229 28.60284 25.67596 
1 1 1   11   19    8 o  194.681   13.062  680.668   85.644  684.976  145.079  678.364  106.105  194.638   21.089  194.724   15.417 -0.8589172E-01 26.12337 
1 1 1   11   19   10 o  208.057   13.625  761.670   96.027  845.014  164.156  718.314  118.397  216.004   21.502  200.110   16.740 15.89380 27.24989 
1 1 1   11   19   12 o  153.577   17.395  423.903   94.420   0.0000   0.0000  423.903   94.420  ?   ?   153.577   17.395      ?      ? 
1 1 1   11   19   14 o  143.416   21.576  373.930  109.369   0.0000   0.0000  373.930  109.369  ?   ?   143.416   21.576      ?      ? 
1 1 1   11   19   16 o  246.465   22.748  1110.48  198.158   0.0000   0.0000  1110.48  198.158  ?   ?   246.465   22.748      ?      ? 
1 1 1   11   19   18 o   30.641   8.5062   7.5311   14.143   18.488   19.517  -4.5856   20.523   34.876   12.486   26.405   11.555 8.470964 17.01245 
1 1 1   11   19   20 o  154.303   21.713  437.464  118.416  437.464  118.416   0.0000   0.0000  154.303   21.713  ?   ?       ?      ? 
1 1 1   11   19   22 o  164.445   15.657  490.851   90.049  429.094  117.585  578.439  140.033  152.289   21.845  176.600   22.435 -24.31052 31.31358 
1 1 1   11   19   24 o   53.378   17.818   49.938   39.443   49.938   39.443   0.0000   0.0000   53.378   17.818  ?   ?       ?      ? 
1 1 1   11   19   26 o   64.576   13.019   80.200   31.666   62.331   46.512   95.638   43.232   58.577   19.340   70.575   17.434 -11.99769 26.03764 
1 1 1   11   19   28 o   43.199   10.914   28.023   20.775   42.180   33.677   19.325   26.396   48.722   16.463   37.675   14.331 11.04761 21.82726 
1 1 1   11   19   30 o   71.606   17.675   98.242   48.637   96.837   54.641  103.601  106.726   69.243   20.716   73.969   28.643 -4.725365 35.34911 
1 1 1   11   20    1 o  185.227   15.889  622.165  103.902  623.666  143.667  620.520  150.449  185.578   21.903  184.876   23.024 0.7027740 31.77852 
1 1 1   11   20    3 o   86.446   12.704  135.446   36.968  160.207   59.032  119.470   47.417   92.785   18.648   80.108   17.257 12.67715 25.40705 
1 1 1   11   20    5 o  480.000   19.784  4156.77  335.647   0.0000   0.0000  4156.77  335.647  ?   ?   480.000   19.784      ?      ? 
1 1 1   11   20    7 o  349.030   17.676  2189.73  218.053   0.0000   0.0000  2189.73  218.053  ?   ?   349.030   17.676      ?      ? 
1 1 1   11   20    9 o  168.785   21.729  517.150  129.629   0.0000   0.0000  517.150  129.629  ?   ?   168.785   21.729      ?      ? 
1 1 1   11   20   11 o  136.979   21.501  341.106  104.096   0.0000   0.0000  341.106  104.096  ?   ?   136.979   21.501      ?      ? 
1 1 1   11   20   13 o  121.658   16.009  278.334   66.292  267.682   93.674  289.021   93.829  119.141   23.079  124.175   22.193 -5.034187 32.01839 
1 1 1   11   20   15 f  233.723   13.201  969.973  104.512  1057.87  178.027  923.750  129.099  240.918   20.907  226.528   16.124 14.39053 26.40270 
1 1 1   11   20   17 o   44.746   10.369   34.699   19.016   29.169   28.173   39.328   25.773   42.778   15.035   46.714   14.284 -3.935257 20.73827 
1 1 1   11   20   19 f  119.212   14.159  262.901   56.689  269.490   91.398  258.781   72.271  119.011   22.554  119.413   17.123 -0.4021454 28.31774 
1 1 1   11   20   21 o  144.510   21.853  388.112  111.618   0.0000   0.0000  388.112  111.618  ?   ?   144.510   21.853      ?      ? 
1 1 1   11   20   23 o   74.680   14.726   68.976   34.094   43.240   37.471  192.745   82.173   50.419   17.360   98.942   23.791 -48.52225 29.45115 
1 1 1   11   20   25 o  118.955   17.777  265.679   69.036  223.531   83.665  355.599  122.205  106.001   22.993  131.908   27.118 -25.90775 35.55352 
1 1 1   11   20   27 o   82.457   17.709  117.000   48.377   95.154   54.496  198.215  105.076   69.270   20.681   95.645   28.753 -26.37466 35.41813 
1 1 1   11   21    0 o  163.684   14.501  478.975   83.891   0.0000   0.0000  478.975   83.891  ?   ?   163.684   14.501      ?      ? 
1 1 1   11   21    2 o  129.633   21.423  304.624   98.158   0.0000   0.0000  304.624   98.158  ?   ?   129.633   21.423      ?      ? 
1 1 1   11   21    4 o   43.619   15.758   28.521   31.157   0.0000   0.0000   28.521   31.157  ?   ?    43.619   15.758      ?      ? 
1 1 1   11   21    6 o  135.712   15.849  341.007   74.004  306.229  104.739  375.677  104.577  127.474   24.131  143.949   20.554 -16.47560 31.69824 
1 1 1   11   21    8 o  142.748   15.826  379.157   76.971  445.211  108.961  313.364  108.745  156.800   19.661  128.697   24.806 28.10237 31.65282 
1 1 1   11   21   10 o   83.123   14.456  129.261   41.570  135.957   65.655  124.780   53.706   84.779   21.791   81.466   19.001 3.313240 28.91187 
1 1 1   11   21   12 o  247.348   13.182  1091.62  110.220  1165.81  187.752  1052.61  136.150  252.845   21.009  241.850   15.928 10.99429 26.36431 
1 1 1   11   21   14 o   78.989   14.562  116.578   40.534  127.522   63.679  109.124   52.556   81.962   21.657   76.015   19.474 5.946342 29.12474 
1 1 1   11   21   16 o  133.065   13.871  320.016   63.436  339.271  103.643  308.481   80.217  135.760   21.600  130.370   17.409 5.390900 27.74194 
1 1 1   11   21   18 o   67.178   13.445   84.402   33.041   88.701   51.113   81.316   43.306   68.660   19.905   65.696   18.081 2.964127 26.89075 
1 1 1   11   21   20 o  138.730   13.542  358.228   64.205  342.682  103.519  367.947   81.849  135.448   21.624  142.012   16.307 -6.564011 27.08301 
1 1 1   11   21   22 o  113.110   13.450  246.375   50.491  222.080   80.532  262.111   64.812  106.551   22.109  119.670   15.323 -13.11813 26.89962 
1 1 1   11   21   24 o   51.545   11.847   48.628   24.704   47.271   36.124   49.820   33.860   51.209   17.050   51.881   16.452 -0.6710396 23.69346 
1 1 1   11   21   26 o  107.983   14.833  231.685   54.412  231.942   85.649  231.511   70.457  105.916   23.494  110.050   18.114 -4.133080 29.66635 
1 1 1   11   22    1 o   90.975   15.481  156.750   49.449  182.066   70.021  131.564   69.841   98.403   20.784   83.548   22.948 14.85503 30.96119 
1 1 1   11   22    3 o   99.870   14.192  186.262   47.374  189.250   75.901  184.354   60.634  100.061   22.056   99.679   17.867 0.3821182 28.38437 
1 1 1   11   22    5 o  223.716   14.144  881.424  107.780  1009.13  182.828  813.404  133.431  235.148   21.998  212.284   17.784 22.86455 28.28716 
1 1 1   11   22    7 o  255.540   14.066  1161.17  121.590  1273.05  207.914  1103.02  149.895  263.804   22.299  247.275   17.151 16.52879 28.13162 
1 1 1   11   22    9 o  213.458   13.913  807.986  100.860  902.949  171.568  757.835  124.680  222.099   21.856  204.817   17.223 17.28174 27.82655 
1 1 1   11   22   11 o  169.109   12.897  516.545   73.972  528.509  123.818  509.904   92.243  170.005   20.606  168.214   15.515 1.790771 25.79424 
1 1 1   11   22   13 o  150.365   13.295  402.943   68.789  452.745  113.291  373.861   86.575  157.148   20.397  143.583   17.060 13.56528 26.59075 
1 1 1   11   22   15 o  113.967   14.262  249.029   53.793  217.642   86.376  268.915   68.753  106.136   23.633  121.797   15.971 -15.66090 28.52334 
1 1 1   11   22   17 o   94.751   13.284  168.924   42.870  163.607   67.090  172.593   55.733   92.163   21.057   97.340   16.200 -5.176857 26.56718 
1 1 1   11   22   19 o   36.865   9.5725   19.608   16.565   12.950   23.934   25.730   22.951   34.356   13.490   39.375   13.585 -5.018471 19.14506 
1 1 1   11   22   21 o  124.498   16.140  303.200   69.507  319.266   98.190  287.064   98.405  129.208   21.501  119.788   24.078 9.419884 32.28036 
1 1 1   11   22   23 o   17.312   5.2932  -1.4391   5.4772  -2.9380   6.5379   2.0893   10.031   14.144   6.3367   20.481   8.4804 -6.336271 10.58633 
1 1 1   11   23    0 o  328.101   17.663  1990.08  204.564  2038.32  284.631  1938.54  294.199  332.647   24.209  323.554   25.726 9.092926 35.32580 
1 1 1   11   23    2 o  115.815   14.361  239.669   56.608  288.872   91.894  209.580   71.862  125.880   20.654  105.749   19.958 20.13029 28.72170 
1 1 1   11   23    4 o  222.059   13.849  882.500  104.397  949.633  176.390  846.304  129.519  227.650   21.922  216.468   16.928 11.18190 27.69762 
1 1 1   11   23    6 o  135.350   14.042  329.644   64.832  351.449  108.074  317.386   81.031  138.294   22.110  132.406   17.315 5.888138 28.08346 
1 1 1   11   23    8 o  134.307   13.886  319.074   64.437  379.326  105.526  283.251   81.368  143.843   20.756  124.772   18.451 19.07125 27.77155 
1 1 1   11   23   10 o  129.505   12.743  304.470   56.329  309.210   92.718  301.697   70.916  129.808   20.209  129.203   15.529 0.6048431 25.48654 
1 1 1   11   23   12 f  113.018   13.365  236.784   50.390  240.219   82.298  234.724   63.734  112.264   21.524  113.772   15.849 -1.508247 26.73015 
1 1 1   11   23   14 o  193.763   13.033  697.828   84.563  663.898  142.436  716.298  105.087  188.809   21.344  198.716   14.962 -9.907196 26.06596 
1 1 1   11   23   16 o  105.714   15.195  208.778   53.571  253.881   88.069  182.288   67.494  114.204   22.618   97.224   20.297 16.97970 30.38997 
1 1 1   11   23   18 o   56.824   11.469   61.944   24.604   46.564   37.089   74.031   32.880   51.311   17.278   62.337   15.086 -11.02630 22.93701 
1 1 1   11   23   20 o  134.293   14.804  351.424   65.861  350.002  108.082  352.263   83.065  131.545   24.136  137.040   17.149 -5.495300 29.60828 
1 1 1   11   23   22 o   42.850   15.808   28.825   31.596   0.0000   0.0000   28.825   31.596  ?   ?    42.850   15.808      ?      ? 
1 1 1   11   24    1 o  310.061   16.846  1780.84  184.448  1688.13  255.159  1882.30  266.936  301.552   23.940  318.570   23.707 -17.01877 33.69233 
1 1 1   11   24    3 o  178.536   15.275  575.530   95.286  475.297  125.715  710.858  146.075  160.437   22.170  196.634   21.018 -36.19722 30.54950 
1 1 1   11   24    5 o  100.182   17.476  193.410   60.387  189.653   77.150  199.351   97.025   99.390   22.487  100.973   26.757 -1.582603 34.95189 
1 1 1   11   24    7 o  156.259   21.867  452.672  120.771  452.672  120.771   0.0000   0.0000  156.259   21.867  ?   ?       ?      ? 
1 1 1   11   24    9 o  174.895   13.145  555.951   78.451  582.885  130.135  540.575   98.326  177.386   20.756  172.403   16.136 4.983261 26.29089 
1 1 1   11   24   11 o  167.181   14.469  493.276   82.863  634.258  139.956  417.181  102.822  184.200   21.497  150.162   19.373 34.03860 28.93891 
1 1 1   11   24   13 o   84.164   13.138  136.858   37.645  129.577   58.285  142.069   49.309   81.708   20.278   86.620   16.711 -4.911972 26.27675 
1 1 1   11   24   15 o  165.280   13.372  519.367   74.372  485.638  123.059  538.777   93.349  159.402   21.842  171.159   15.431 -11.75711 26.74328 
1 1 1   11   24   17 o   45.278   10.692   35.339   20.781   20.920   29.856   48.888   28.941   39.633   15.202   50.924   15.040 -11.29137 21.38442 
1 1 1   11   24   19 f   31.581   8.7863   11.104   14.417   13.695   20.493   8.5652   20.286   32.686   12.581   30.477   12.269 2.208799 17.57265 
1 1 1   11   25    0 o   87.959   14.325  143.876   43.275  179.203   67.733  119.509   56.253   96.881   20.424   79.037   20.093 17.84396 28.65084 
1 1 1   11   25    2 f   36.489   9.6603   18.178   16.861   14.810   24.395   21.259   23.329   35.390   13.697   37.587   13.626 -2.196999 19.32054 
1 1 1   11   25    4 o  102.178   13.247  204.030   44.831  159.215   70.597  234.316   58.036   90.602   22.216  113.755   14.435 -23.15253 26.49363 
1 1 1   11   25    6 o  111.521   14.592  230.239   54.152  274.788   88.729  203.797   68.359  119.576   21.798  103.465   19.406 16.11092 29.18427 
1 1 1   11   25    8 o  170.777   18.098  573.341  105.149  629.886  143.417  507.618  154.620  182.588   22.223  158.965   28.570 23.62282 36.19556 
1 1 1   11   25   10 o  157.578   15.042  462.365   82.720  373.447  110.182  577.219  125.225  139.994   22.268  175.162   20.227 -35.16789 30.08307 
1 1 1   11   25   12 o   95.845   18.625  200.211   72.663  281.208   93.123   74.135  116.182  119.009   22.971   72.680   29.325 46.32965 37.25087 
1 1 1   11   25   14 o  163.334   14.203  489.603   79.484  605.801  133.914  426.402   98.762  176.751   21.436  149.918   18.639 26.83257 28.40608 
1 1 1   11   25   16 o  121.965   13.466  292.970   53.820  274.602   88.561  303.726   67.770  116.333   22.351  127.598   15.027 -11.26543 26.93282 
1 1 1   11   26    1 o   86.055   16.752  141.473   50.921  127.688   63.402  166.524   85.469   80.823   21.726   91.286   25.505 -10.46317 33.50441 
1 1 1   11   26    3 o  118.516   14.390  270.799   56.199  256.147   92.446  279.388   70.780  113.789   23.753  123.242   16.249 -9.453644 28.77956 
1 1 1   11   26    5 o  224.555   13.620  925.333  104.098  1025.80  175.596  870.894  129.262  232.210   21.395  216.900   16.861 15.30988 27.24067 
1 1 1   11   26    7 o   86.464   14.015  143.908   41.415  164.140   64.950  130.046   53.763   91.291   20.617   81.636   18.991 9.655510 28.03019 
1 1 1   11   26    9 o   64.515   13.811   78.088   34.190  100.296   52.555   61.792   45.020   71.325   20.026   57.704   19.026 13.62114 27.62246 
1 1 1   11   26   11 o   46.165   11.563   33.244   23.994   51.380   36.321   19.200   31.961   52.588   17.077   39.742   15.594 12.84608 23.12594 
1 1 1   11   26   13 o  117.761   29.165  308.128  120.755   0.0000   0.0000  308.128  120.755  ?   ?   117.761   29.165      ?      ? 
1 1 1   11   27    0 o  104.570   15.023  213.109   52.297  232.142   85.516  201.738   66.098  107.290   23.225  101.850   19.062 5.440231 30.04582 
1 1 1   11   27    2 o  151.114   14.594  415.575   75.600  548.835  127.261  342.899   93.980  168.352   21.387  133.877   19.861 34.47449 29.18726 
1 1 1   11   27    4 o  162.722   14.343  495.637   80.035  574.057  133.438  451.572  100.024  171.244   22.047  154.200   18.353 17.04395 28.68593 
1 1 1   11   27    6 o   55.769   13.161   55.923   30.286   71.597   46.838   44.659   39.704   60.919   19.353   50.619   17.843 10.30004 26.32291 
1 1 1   11   27    8 o   67.407   15.742   88.490   36.825   0.0000   0.0000   88.490   36.825  ?   ?    67.407   15.742      ?      ? 
1 1 1   12    0    0 o  1970.68   36.450 69283.02  3584.89 69283.02  3584.89 69283.02  3584.89  1970.68   51.548  1970.68   51.548 -0.000000 0.000000 
1 1 1   12    0    2 o   92.085   12.320  165.095   50.791  165.095   50.791  165.095   50.791   92.085   17.423   92.085   17.423 -0.000000 0.000000 
1 1 1   12    0    4 o  2122.06   39.244 80432.45  4156.23 80432.45  4156.23 80432.45  4156.23  2122.06   55.500  2122.06   55.500 -0.000000 0.000000 
1 1 1   12    0    6 o  112.319   11.559  236.833   60.885  236.833   60.885  236.833   60.885  112.319   16.347  112.319   16.347 -0.000000 0.000000 
1 1 1   12    0    8 o  1189.03   23.531 25130.60  1396.02 25130.60  1396.02 25130.60  1396.02  1189.03   33.277  1189.03   33.277 -0.000000 0.000000 
1 1 1   12    0   10 o  698.134   16.115  8656.41  561.005  8656.41  561.005  8656.41  561.005  698.134   22.791  698.134   22.791 -0.000000 0.000000 
1 1 1   12    0   12 o  803.698   25.064 11538.77  1002.43 11538.77  1002.43 11538.77  1002.43  803.698   35.446  803.698   35.446 -0.000000 0.000000 
1 1 1   12    0   14 o  1288.40   25.156 29583.53  1617.24 29583.53  1617.24 29583.53  1617.24  1288.40   35.576  1288.40   35.576 -0.000000 0.000000 
1 1 1   12    0   16 o  287.256   11.784  1475.42  167.902  1475.42  167.902  1475.42  167.902  287.256   16.666  287.256   16.666 -0.000000 0.000000 
1 1 1   12    0   18 o  551.024   14.309  5406.74  392.895  5406.74  392.895  5406.74  392.895  551.024   20.236  551.024   20.236 -0.000000 0.000000 
1 1 1   12    0   20 o   27.876   11.618   15.571   27.620   15.571   27.620   15.571   27.620   27.876   16.430   27.876   16.430 -0.000000 0.000000 
1 1 1   12    0   22 o   98.724   19.903  210.978   85.111  210.978   85.111  210.978   85.111   98.724   28.147   98.724   28.147 -0.000000 0.000000 
1 1 1   12    0   24 o  373.519   12.453  2497.13  231.315  2497.13  231.315  2497.13  231.315  373.519   17.611  373.519   17.611 -0.000000 0.000000 
1 1 1   12    0   26 o  205.867   11.548  767.505  117.109  767.505  117.109  767.505  117.109  205.867   16.331  205.867   16.331 -0.000000 0.000000 
1 1 1   12    0   28 o  114.574   20.362  275.263  100.858  275.263  100.858  275.263  100.858  114.574   28.796  114.574   28.796 -0.000000 0.000000 
1 1 1   12    0   30 o  143.077   12.092  379.771   83.210  379.771   83.210  379.771   83.210  143.077   17.100  143.077   17.100 -0.000000 0.000000 
1 1 1   12    0   32 o  184.710   11.677  622.563  105.827  622.563  105.827  622.563  105.827  184.710   16.514  184.710   16.514 -0.000000 0.000000 
1 1 1   12    0   34 o   84.456   15.463  150.615   56.412  150.615   56.412  150.615   56.412   84.456   21.867   84.456   21.867 -0.000000 0.000000 
1 1 1   12    0   36 o   33.203   13.541   25.038   36.218   25.038   36.218   25.038   36.218   33.203   19.150   33.203   19.150 -0.000000 0.000000 
1 1 1   12    0   38 o   39.551   15.298   40.449   43.204   40.449   43.204   40.449   43.204   39.551   21.635   39.551   21.635 -0.000000 0.000000 
1 1 1   12    1    1 o  1072.19   21.556 20422.73  816.834 20687.11  1155.20 20158.36  1155.16  1079.17   30.286  1065.22   30.682 13.95239 43.11192 
1 1 1   12    1    3 o  1534.40   28.996 42001.38  1572.38 42609.63  2223.70 41393.14  2223.65  1545.61   40.706  1523.18   41.304 22.43054 57.99130 
1 1 1   12    1    5 o  730.872   16.431  9470.73  424.354  9714.50  600.141  9226.98  600.113  740.308   22.936  721.436   23.535 18.87250 32.86282 
1 1 1   12    1    7 o  863.335   18.422 13240.95  561.160 12349.63  793.549 14132.49  793.651  834.122   26.917  892.549   25.158 -58.42712 36.84351 
1 1 1   12    1    9 o  774.833   21.589 10926.07  550.114 11403.69  673.782  9971.12  952.731  801.776   23.776  747.889   36.042 53.88739 43.17833 
1 1 1   12    1   11 o  655.453   31.090  7648.57  720.240  7648.57  720.240   0.0000   0.0000  655.453   31.090  ?   ?       ?      ? 
1 1 1   12    1   13 o  821.203   25.419 12060.73  737.393 12502.17  1042.70 11619.06  1042.96  836.417   35.271  805.989   36.612 30.42847 50.83745 
1 1 1   12    1   15 o  529.241   19.650  4993.52  367.311  5212.79  520.131  4775.38  518.783  540.927   27.205  517.555   28.360 23.37201 39.29925 
1 1 1   12    1   17 o  206.837   15.934  758.907  116.482  758.907  116.482   0.0000   0.0000  206.837   15.934  ?   ?       ?      ? 
1 1 1   12    1   19 o  411.008   15.240  2926.01  211.308  2733.02  258.735  3312.57  366.176  391.772   18.685  430.244   24.080 -38.47214 30.47930 
1 1 1   12    1   21 o   81.566   15.203  129.926   43.739  148.717   52.898   89.313   77.767   89.855   17.284   73.278   25.017 16.57742 30.40679 
1 1 1   12    1   23 o  182.499   11.075  593.719   71.380  561.907  100.021  626.738  101.899  177.489   15.944  187.509   15.375 -10.02036 22.14997 
1 1 1   12    1   25 o  225.804   13.885  907.288  104.941  944.006  181.572  888.871  128.594  228.624   22.470  222.983   16.317 5.640793 27.76940 
1 1 1   12    1   27 o  156.757   11.436  444.307   62.445  526.561   87.950  360.692   88.675  171.734   14.490  141.780   17.696 29.95374 22.87122 
1 1 1   12    1   29 o  115.761   12.345  249.259   48.048  295.293   66.069  197.583   70.000  128.538   14.543  102.983   19.952 25.55475 24.68965 
1 1 1   12    1   31 o  360.739   12.201  2342.65  155.452  2233.79  218.929  2453.33  220.767  352.157   17.589  369.320   16.913 -17.16263 24.40121 
1 1 1   12    1   33 o  261.275   11.583  1229.90  106.954  1222.12  150.194  1237.91  152.340  260.456   16.315  262.093   16.445 -1.637024 23.16547 
1 1 1   12    1   35 f   78.678   12.039  115.699   32.420  107.295   43.831  125.851   48.172   75.521   16.849   81.834   17.201 -6.313591 24.07826 
1 1 1   12    1   37 o   42.563   10.725   28.481   20.294   25.856   27.635   31.554   29.899   41.056   14.839   44.070   15.488 -3.013676 21.44943 
1 1 1   12    1   39 o  132.609   22.082  338.392  103.497  338.392  103.497   0.0000   0.0000  132.609   22.082  ?   ?       ?      ? 
1 1 1   12    2    0 o  755.032   16.907 10106.81  451.176 10144.05  638.071 10069.57  638.047  756.427   23.866  753.636   23.954 2.790771 33.81372 
1 1 1   12    2    2 o  618.608   14.975  6779.76  327.426  6746.74  463.059  6812.78  463.041  617.097   21.231  620.118   21.126 -3.020447 29.95098 
1 1 1   12    2    4 o  772.278   17.077 10603.32  464.214 11711.38  656.583  9495.84  656.412  812.861   22.854  731.694   25.382 81.16772 34.15455 
1 1 1   12    2    6 o  333.792   11.905  1972.95  140.379  1900.69  198.511  2045.23  198.542  327.667   17.141  339.918   16.526 -12.25134 23.80971 
1 1 1   12    2    8 o  313.146   11.814  1736.51  130.705  1795.49  184.949  1677.65  184.741  318.469   16.431  307.822   16.980 10.64645 23.62853 
1 1 1   12    2   10 o  667.164   19.332  7971.59  427.819  7722.17  741.137  8096.24  523.923  658.639   31.837  675.688   21.938 -17.04889 38.66356 
1 1 1   12    2   12 o  617.759   19.293  6980.46  390.778  7350.37  478.724  6241.75  676.503  643.755   21.040  591.763   32.345 51.99146 38.58567 
1 1 1   12    2   14 f  476.947   12.850  4035.78  216.388  4251.87  306.265  3820.39  305.774  489.743   17.693  464.150   18.639 25.59360 25.69952 
1 1 1   12    2   16 o  399.293   12.417  2834.96  174.649  2567.47  246.883  3102.91  247.099  380.324   18.366  418.262   16.715 -37.93842 24.83347 
1 1 1   12    2   18 o  440.352   18.243  3469.73  283.785  3336.01  400.437  3604.65  402.234  431.734   26.242  448.970   25.348 -17.23608 36.48510 
1 1 1   12    2   20 o  268.121   16.546  1292.20  156.242  1410.47  220.349  1172.61  221.574  280.681   22.211  255.561   24.530 25.12057 33.09216 
1 1 1   12    2   22 o  163.768   11.392  478.516   65.889  494.264   92.464  462.270   93.915  166.543   15.708  160.993   16.505 5.549774 22.78501 
1 1 1   12    2   24 o  330.474   12.035  1952.81  140.574  1953.54  198.300  1952.07  199.307  330.547   16.973  330.401   17.067 0.1458130 24.07041 
1 1 1   12    2   26 f  147.492   13.475  384.119   65.809  371.832   79.576  410.708  117.058  144.232   15.610  150.753   21.969 -6.520065 26.95024 
1 1 1   12    2   28 o  206.770   11.220  767.001   81.792  820.143  114.925  712.456  116.433  214.155   15.183  199.385   16.522 14.77014 22.43906 
1 1 1   12    2   30 o  206.879   11.786  773.578   85.390  885.583  120.145  659.249  121.385  222.373   15.286  191.386   17.945 30.98685 23.57292 
1 1 1   12    2   32 o   67.524   13.006   85.965   33.490  117.286   45.522   49.014   49.445   79.277   16.770   55.770   19.884 23.50703 26.01168 
1 1 1   12    2   34 o  112.375   12.903  234.925   49.447  266.079   68.589  201.211   71.351  121.428   15.981  103.322   20.262 18.10540 25.80642 
1 1 1   12    2   36 o  102.203   12.097  192.316   42.550  167.793   58.474  219.915   62.032   94.335   18.197  110.072   15.945 -15.73627 24.19437 
1 1 1   12    2   38 o   87.071   14.099  149.223   42.046  132.870   65.716  160.557   54.709   82.267   22.121   91.875   17.487 -9.607170 28.19800 
1 1 1   12    3    1 o  1015.51   25.749 18512.88  867.215 18814.56  1062.17 17909.71  1501.92  1029.36   29.195  1001.66   42.424 27.70117 51.49856 
1 1 1   12    3    3 o  610.266   14.253  6597.75  307.363  6766.52  434.733  6429.05  434.622  618.089   19.900  602.443   20.412 15.64539 28.50679 
1 1 1   12    3    5 o  815.801   17.645 11805.37  508.723 11598.07  719.437 12012.67  719.448  808.612   25.173  822.990   24.733 -14.37848 35.29044 
1 1 1   12    3    7 o   99.053   10.202  173.779   35.680  165.622   50.666  181.805   50.256   96.741   14.818  101.365   14.027 -4.623306 20.40434 
1 1 1   12    3    9 o  718.310   20.405  9264.08  485.607  8900.13  841.300  9445.92  594.674  706.872   33.674  729.747   23.056 -22.87549 40.81049 
1 1 1   12    3   11 o  286.086   14.815  1504.04  138.363  1602.27  169.499  1307.86  239.542  300.804   15.943  271.369   24.975 29.43542 29.62958 
1 1 1   12    3   13 o  768.526   34.297 10555.55  931.621   0.0000   0.0000 10555.55  931.621  ?   ?   768.526   34.297      ?      ? 
1 1 1   12    3   15 o  304.898   11.731  1649.27  126.275  1555.59  178.308  1743.53  178.853  296.180   17.033  313.616   16.135 -17.43637 23.46228 
1 1 1   12    3   17 o  561.619   14.169  5613.81  280.971  5317.46  396.966  5911.31  397.740  546.664   20.545  576.574   19.518 -29.90967 28.33803 
1 1 1   12    3   19 o  308.588   13.855  1668.04  143.621  1605.00  175.927  1793.99  248.680  300.395   16.570  316.780   22.211 -16.38492 27.71055 
1 1 1   12    3   21 o  159.391   15.595  452.401   87.856  452.401   87.856   0.0000   0.0000  159.391   15.595  ?   ?       ?      ? 
1 1 1   12    3   23 o  317.879   11.786  1805.01  132.332  1722.73  186.536  1888.36  187.761  310.519   16.996  325.240   16.334 -14.72018 23.57242 
1 1 1   12    3   25 o  118.439   14.682  258.935   54.946  261.816   65.965  252.406   99.298  121.078   15.414  115.800   24.994 5.277397 29.36494 
1 1 1   12    3   27 o  196.952   15.628  693.860  108.791  693.860  108.791   0.0000   0.0000  196.952   15.628  ?   ?       ?      ? 
1 1 1   12    3   29 o   80.902   16.802  121.657   46.475  121.657   46.475   0.0000   0.0000   80.902   16.802  ?   ?       ?      ? 
1 1 1   12    3   31 o   77.865   13.569  114.578   36.803  119.618   48.100  107.461   57.160   79.998   17.499   75.731   20.744 4.266884 27.13848 
1 1 1   12    3   33 o   51.666   14.424   29.016   26.443   28.549   27.913   33.104   82.578   42.464   14.961   60.868   24.666 -18.40406 28.84849 
1 1 1   12    3   35 o  166.970   12.463  513.599   72.493  590.044  100.365  430.216  104.821  180.615   15.722  153.324   19.343 27.29121 24.92631 
1 1 1   12    3   37 o  121.598   11.731  269.701   50.315  257.538   68.527  283.928   74.113  118.697   16.334  124.500   16.843 -5.802757 23.46238 
1 1 1   12    3   39 o   73.693   16.853  107.529   49.155  116.663   59.774   88.450   86.390   76.698   21.294   70.687   26.127 6.010612 33.70580 
1 1 1   12    4    0 o  1120.76   22.315 22326.22  883.719 21725.50  1249.77 22926.94  1249.77  1105.59   31.983  1135.92   31.129 -30.32983 44.63049 
1 1 1   12    4    2 o  1252.55   29.863 27915.67  1247.76 27731.69  1528.14 28283.70  2161.28  1248.44   34.632  1256.66   48.660 -8.223267 59.72590 
1 1 1   12    4    4 o  937.400   19.245 15598.19  637.539 15289.20  901.612 15907.18  901.620  928.074   27.486  946.726   26.945 -18.65216 38.49071 
1 1 1   12    4    6 o  345.711   11.778  2125.10  142.954  1841.60  202.106  2408.95  202.229  322.495   17.731  368.927   15.509 -46.43192 23.55675 
1 1 1   12    4    8 f  341.524   11.786  2065.67  142.216  2003.45  201.117  2127.91  201.132  336.368   16.917  346.679   16.415 -10.31076 23.57145 
1 1 1   12    4   10 o  524.252   17.156  4864.31  300.027  4833.98  367.363  4925.04  519.928  522.199   19.904  526.306   27.950 -4.106750 34.31298 
1 1 1   12    4   12 f  710.287   16.178  8976.42  404.887  8158.08  572.238  9796.81  572.955  677.651   23.892  742.923   21.820 -65.27173 32.35640 
1 1 1   12    4   14 o  100.292   15.688  185.546   54.351  150.471   75.699  222.866   78.084   90.336   23.489  110.249   20.801 -19.91306 31.37582 
1 1 1   12    4   16 o  275.970   11.603  1351.36  113.144  1307.92  159.526  1395.33  160.499  271.492   16.625  280.447   16.192 -8.954987 23.20688 
1 1 1   12    4   18 o  341.796   11.917  2077.43  143.932  2122.45  203.151  2032.06  203.951  345.541   16.634  338.051   17.070 7.489990 23.83408 
1 1 1   12    4   20 o  123.273   11.207  239.281   45.788  182.392   54.487  376.012   84.472  101.250   15.226  145.295   16.449 -44.04464 22.41422 
1 1 1   12    4   22 o  106.527   12.382  172.028   41.923  121.254   48.928  312.233   81.306   80.849   17.620  132.205   17.400 -51.35625 24.76350 
1 1 1   12    4   24 o  129.771   10.568  299.528   48.163  255.276   66.219  349.232   70.179  119.564   15.670  139.978   14.185 -20.41348 21.13649 
1 1 1   12    4   26 o  172.360   15.577  535.068   94.123  447.160  128.930  635.378  137.725  157.043   23.228  187.677   20.763 -30.63399 31.15498 
1 1 1   12    4   28 o   58.936   12.292   54.025   26.277   36.662   31.499   93.759   47.650   46.952   15.922   70.919   18.731 -23.96671 24.58400 
1 1 1   12    4   30 o  115.096   17.143  261.576   59.669  276.674   68.687  215.137  120.462  124.208   15.646  105.984   30.509 18.22322 34.28689 
1 1 1   12    4   32 o   62.542   14.328   72.326   35.003   84.673   40.094   32.752   71.779   67.258   16.890   57.826   23.149 9.432098 28.65545 
1 1 1   12    4   34 o  102.644   13.130  197.978   45.226  209.384   58.445  180.955   71.401  107.755   15.346   97.532   21.308 10.22297 26.25906 
1 1 1   12    4   36 o  122.769   14.398  282.138   56.880  280.892   69.296  284.711   99.586  124.336   15.769  121.203   24.095 3.132576 28.79645 
1 1 1   12    4   38 o   53.696   14.852   40.260   39.417   60.763   43.037 -66.4827   98.199   57.486   18.582   49.905   23.176 7.580772 29.70500 
1 1 1   12    4   40 o   77.731   18.047  121.784   53.152  123.022   61.321  118.043  106.586   77.854   21.551   77.609   28.954 0.2455597 36.09432 
1 1 1   12    5    1 o  949.205   19.311 15992.44  647.780 15688.65  916.117 16296.21  916.080  940.150   27.570  958.260   27.048 -18.10986 38.62214 
1 1 1   12    5    3 o  470.553   12.225  3926.51  202.799  3602.81  286.752  4250.44  286.852  451.083   17.986  490.022   16.562 -38.93958 24.44993 
1 1 1   12    5    5 o  657.511   15.329  7663.26  356.200  7558.90  503.720  7767.64  503.764  653.020   21.824  662.002   21.530 -8.982239 30.65706 
1 1 1   12    5    7 o  168.083   12.923  484.502   73.258  450.618   89.591  552.870  127.261  159.544   15.888  176.622   20.386 -17.07739 25.84592 
1 1 1   12    5    9 o  236.540   15.831  992.634  132.352  993.376  187.146  991.891  187.201  236.629   22.377  236.451   22.400 0.1778564 31.66172 
1 1 1   12    5   11 o  1121.06   22.111 22539.29  867.994 19035.49  1227.33 26045.30  1227.72  1032.61   33.628  1209.52   28.719 -176.9083 44.22268 
1 1 1   12    5   13 o  624.696   21.585  6968.56  476.180  7293.75  673.249  6643.03  673.591  639.434   29.789  609.959   31.245 29.47479 43.16975 
1 1 1   12    5   15 o  150.570   15.668  402.025   83.382  402.025   83.382   0.0000   0.0000  150.570   15.668  ?   ?       ?      ? 
1 1 1   12    5   17 o  107.532   11.308  205.784   42.891  216.047   59.867  194.961   61.479  110.313   15.355  104.751   16.606 5.562317 22.61657 
1 1 1   12    5   19 o  185.423   10.591  611.210   69.403  599.130   97.486  623.625   98.829  183.562   15.026  187.285   14.930 -3.722046 21.18211 
1 1 1   12    5   21 o  269.826   10.582  1304.51   99.705  1066.26  140.119  1548.87  141.907  244.537   16.212  295.116   13.605 -50.57954 21.16392 
1 1 1   12    5   23 o  267.381   13.877  1279.03  124.048  1296.43  213.804  1270.20  152.303  268.082   22.565  266.681   16.158 1.401306 27.75346 
1 1 1   12    5   25 o  176.433   10.313  555.235   64.260  547.400   88.904  563.807   92.987  175.156   14.361  177.709   14.805 -2.552261 20.62535 
1 1 1   12    5   27 o   66.662   14.167   89.767   39.585  121.132   44.632 -25.8795   85.702   80.858   16.182   52.467   23.258 28.39150 28.33363 
1 1 1   12    5   29 f  133.933   15.079  321.067   71.380  321.067   71.380   0.0000   0.0000  133.933   15.079  ?   ?       ?      ? 
1 1 1   12    5   31 o  211.387   14.439  812.262   99.994  813.583  120.833  809.390  178.113  212.746   16.070  210.029   23.994 2.716248 28.87781 
1 1 1   12    5   33 o  129.126   14.317  302.204   57.586  293.518   68.018  324.186  108.203  127.719   15.068  130.533   24.349 -2.813553 28.63398 
1 1 1   12    5   35 o   57.166   21.081   49.528   56.181   0.0000   0.0000   49.528   56.181  ?   ?    57.166   21.081      ?      ? 
1 1 1   12    5   37 o   97.278   31.538  192.149  123.910   0.0000   0.0000  192.149  123.910  ?   ?    97.278   31.538      ?      ? 
1 1 1   12    5   39 o   58.074   25.499   2.4928  100.702   0.0000   0.0000   2.4928  100.702  ?   ?    58.074   25.499      ?      ? 
1 1 1   12    6    0 f  715.775   21.576  9457.61  503.059  8145.94  871.513 10113.02  616.051  676.267   36.462  755.283   23.077 -79.01581 43.15104 
1 1 1   12    6    2 o  539.553   19.114  5482.46  331.166  4358.51  573.726  6044.05  405.547  494.984   32.794  584.122   19.643 -89.13858 38.22704 
1 1 1   12    6    4 o  625.080   18.552  7134.31  380.350  6384.00  658.403  7510.11  465.967  599.140   31.092  651.021   20.251 -51.88025 37.10496 
1 1 1   12    6    6 o  440.062   13.117  3448.15  202.415  2949.68  286.130  3947.52  286.388  407.985   19.843  472.138   17.162 -64.15375 26.23471 
1 1 1   12    6    8 o  321.356   14.528  1915.42  151.302  1607.82  262.539  2068.38  185.139  300.912   24.685  341.799   15.325 -40.88690 29.05531 
1 1 1   12    6   10 o  944.094   20.052 15871.57  668.701 15247.95  945.646 16495.29  945.724  925.404   28.912  962.784   27.792 -37.38013 40.10338 
1 1 1   12    6   12 o  197.926   13.490  713.750   87.886  641.303  151.306  750.639  107.968  189.993   22.532  205.860   14.839 -15.86674 26.97922 
1 1 1   12    6   14 o  214.159   13.509  785.970   98.151  720.023  120.666  914.922  168.733  201.460   16.946  226.858   21.044 -25.39821 27.01893 
1 1 1   12    6   16 f  122.986   11.164  269.487   48.296  298.674   68.123  239.992   68.481  129.737   14.856  116.234   16.669 13.50270 22.32876 
1 1 1   12    6   18 o  305.625   11.737  1663.60  126.615  1562.50  178.717  1765.48  179.407  296.234   17.069  315.016   16.113 -18.78204 23.47332 
1 1 1   12    6   20 o  173.728   10.787  538.926   66.039  578.257   92.549  498.127   94.260  180.265   14.526  167.191   15.951 13.07419 21.57415 
1 1 1   12    6   22 o  142.794   9.9216  364.186   49.441  293.002   68.699  440.662   71.207  128.185   15.163  157.404   12.799 -29.21861 19.84315 
1 1 1   12    6   24 o  179.392   9.7621  575.777   61.091  462.577   85.052  696.424   87.805  160.975   14.949  197.809   12.559 -36.83337 19.52420 
1 1 1   12    6   26 o  170.795   10.706  520.967   63.819  417.141   87.814  637.191   92.909  152.623   16.279  188.967   13.911 -36.34367 21.41280 
1 1 1   12    6   28 o  117.599   17.159  255.985   68.297  227.448   89.176  296.471  106.217  109.794   23.676  125.405   24.842 -15.61115 34.31789 
1 1 1   12    6   30 o  216.837   24.307  862.166  186.288   0.0000   0.0000  862.166  186.288  ?   ?   216.837   24.307      ?      ? 
1 1 1   12    6   32 o  131.628   23.540  327.288  105.493  327.288  105.493   0.0000   0.0000  131.628   23.540  ?   ?       ?      ? 
1 1 1   12    6   34 o  133.013   26.142  342.337  118.518   0.0000   0.0000  342.337  118.518  ?   ?   133.013   26.142      ?      ? 
1 1 1   12    6   38 o  100.134   22.767  200.604   78.753  200.604   78.753   0.0000   0.0000  100.134   22.767  ?   ?       ?      ? 
1 1 1   12    6   40 o   45.466   16.304   34.781   33.288   34.781   33.288   0.0000   0.0000   45.466   16.304  ?   ?       ?      ? 
1 1 1   12    7    1 o  440.912   18.900  3443.48  294.540   0.0000   0.0000  3443.48  294.540  ?   ?   440.912   18.900      ?      ? 
1 1 1   12    7    3 o  850.285   24.964 13617.04  683.118 10978.45  1183.36 14935.77  836.585  783.323   42.742  917.247   25.805 -133.9238 49.92784 
1 1 1   12    7    5 o  991.422   26.613 18099.82  863.032 16023.78  1495.11 19137.23  1056.89  945.353   44.747  1037.49   28.822 -92.13928 53.22561 
1 1 1   12    7    7 o  823.372   22.639 12311.66  614.227 11414.09  1064.31 12759.89  752.116  799.149   37.681  847.595   25.106 -48.44604 45.27865 
1 1 1   12    7    9 o  445.223   18.498  3527.99  290.755  3335.40  411.387  3720.21  410.992  432.995   26.881  457.451   25.420 -24.45660 36.99665 
1 1 1   12    7   11 o  984.525   27.789 18596.74  872.454 14372.15  1511.14 20709.01  1068.53  891.014   47.984  1078.04   28.044 -187.0228 55.57831 
1 1 1   12    7   13 o  277.647   16.810  1379.99  163.721  1190.61  232.134  1567.43  230.944  258.442   25.413  296.852   22.011 -38.41010 33.62024 
1 1 1   12    7   15 f  125.894   22.735  291.201   97.440   0.0000   0.0000  291.201   97.440  ?   ?   125.894   22.735      ?      ? 
1 1 1   12    7   17 o  475.721   16.477  4067.30  260.635  4013.27  451.105  4094.38  319.327  472.237   27.027  479.204   18.854 -6.967438 32.95323 
1 1 1   12    7   19 o  369.199   15.351  2518.06  185.783  2239.59  320.770  2658.62  227.898  352.256   25.764  386.142   16.698 -33.88632 30.70220 
1 1 1   12    7   21 o  467.454   16.042  3863.55  251.970  4176.37  436.113  3706.81  308.708  480.112   25.700  454.796   19.205 25.31592 32.08315 
1 1 1   12    7   23 o   99.589   18.327  183.275   62.134   0.0000   0.0000  183.275   62.134  ?   ?    99.589   18.327      ?      ? 
1 1 1   12    7   25 o  230.386   16.536  950.653  134.654   0.0000   0.0000  950.653  134.654  ?   ?   230.386   16.536      ?      ? 
1 1 1   12    7   27 o  301.526   24.030  1656.46  256.093   0.0000   0.0000  1656.46  256.093  ?   ?   301.526   24.030      ?      ? 
1 1 1   12    7   29 o  117.844   26.615  265.480  108.234   0.0000   0.0000  265.480  108.234  ?   ?   117.844   26.615      ?      ? 
1 1 1   12    7   31 o  163.288   14.448  479.844   81.943  368.802  110.235  616.976  122.503  142.037   21.958  184.538   18.782 -42.50162 28.89518 
1 1 1   12    7   33 o   44.899   12.034   5.2014   34.653   59.263   40.111 -153.8876   68.808   57.223   17.873   32.576   16.119 24.64771 24.06848 
1 1 1   12    7   35 f  137.380   20.090  368.242   89.384  364.714  107.560  376.117  160.689  139.898   21.753  134.861   33.783 5.037125 40.18062 
1 1 1   12    7   37 o  119.929   19.375  258.194   71.797  218.059   82.404  384.680  146.289  104.932   22.865  134.925   31.285 -29.99268 38.74976 
1 1 1   12    7   39 o   48.829   15.665   9.2343   17.487   8.3270   17.668   52.953  122.643   28.887   11.512   68.771   29.139 -39.88380 31.33016 
1 1 1   12    8    0 o  644.476   20.041  7690.17  419.871  6548.88  727.557  8260.06  514.122  606.348   33.949  682.603   21.310 -76.25537 40.08273 
1 1 1   12    8    2 o  460.419   14.216  3651.84  220.567  4100.96  382.739  3428.52  269.889  480.851   22.520  439.987   17.355 40.86310 28.43160 
1 1 1   12    8    4 o  590.002   20.449  6523.10  389.185  5323.82  674.409  7121.88  476.540  546.291   34.928  633.713   21.276 -87.42151 40.89814 
1 1 1   12    8    6 o  1070.10   28.274 20979.66  994.335 19157.38  1722.60 21890.23  1217.68  1031.67   47.241  1108.53   31.079 -76.86169 56.54784 
1 1 1   12    8    8 o  788.069   24.666 11104.68  686.920 10877.86  971.404 11331.55  971.499  779.925   35.239  796.213   34.522 -16.28717 49.33109 
1 1 1   12    8   10 o  978.108   28.654 17301.41  982.291 14768.87  1388.85 19836.24  1389.48  904.822   43.428  1051.39   37.391 -146.5723 57.30716 
1 1 1   12    8   12 o  617.307   20.010  7111.08  400.680  5997.23  694.113  7667.73  490.690  577.943   33.980  656.671   21.142 -78.72858 40.02024 
1 1 1   12    8   14 o  237.081   14.080  1003.91  111.209  990.391  191.891  1010.75  136.462  235.583   23.046  238.579   16.183 -2.996292 28.16018 
1 1 1   12    8   16 o   97.937   14.243  170.366   49.301   0.0000   0.0000  170.366   49.301  ?   ?    97.937   14.243      ?      ? 
1 1 1   12    8   20 o  369.849   24.734  2472.94  323.324   0.0000   0.0000  2472.94  323.324  ?   ?   369.849   24.734      ?      ? 
1 1 1   12    8   22 o  146.206   21.867  385.645  113.001   0.0000   0.0000  385.645  113.001  ?   ?   146.206   21.867      ?      ? 
1 1 1   12    8   24 o   78.038   22.327  112.960   64.694   0.0000   0.0000  112.960   64.694  ?   ?    78.038   22.327      ?      ? 
1 1 1   12    8   26 o  205.522   15.621  765.235  113.427  738.362  158.338  793.563  162.567  201.792   22.200  209.252   21.981 -7.459564 31.24116 
1 1 1   12    8   28 o  107.421   14.902  207.228   55.119  158.677   72.312  274.550   85.151   91.607   22.498  123.236   19.549 -31.62948 29.80486 
1 1 1   12    8   30 o  128.426   14.721  297.988   66.442  320.436  100.636  280.642   88.463  132.562   21.479  124.291   20.137 8.271729 29.44244 
1 1 1   12    8   32 o   40.902   11.456   2.9827   30.102   42.454   34.406 -125.8417   62.157   49.772   16.641   32.032   15.749 17.74003 22.91202 
1 1 1   12    8   34 o   61.801   17.183   43.778   34.818   42.273   36.370   60.287  120.472   49.997   17.108   73.606   29.804 -23.60884 34.36555 
1 1 1   12    8   36 o   99.074   17.983  111.134   46.581   78.183   49.464  369.346  138.466   64.371   19.806  133.776   30.022 -69.40536 35.96693 
1 1 1   12    8   38 o  109.867   21.187  246.705   74.774  231.279   84.919  299.940  157.754  106.677   23.185  113.057   35.468 -6.380310 42.37312 
1 1 1   12    9    1 o  472.543   19.276  4318.25  286.850  3121.62  497.236  4915.12  351.177  418.440   33.621  526.645   18.866 -108.2052 38.55262 
1 1 1   12    9    3 o  760.391   22.477 10687.29  557.041  9253.08  965.201 11403.56  682.099  719.381   37.961  801.401   24.081 -82.01947 44.95492 
1 1 1   12    9    5 o  294.033   13.723  1559.68  133.008  1457.84  230.993  1610.19  162.684  286.536   22.809  301.530   15.265 -14.99454 27.44543 
1 1 1   12    9    7 o  540.320   19.964  5200.50  381.242  5251.60  538.990  5149.33  539.327  542.999   28.084  537.641   28.382 5.357788 39.92798 
1 1 1   12    9    9 o  567.546   19.531  6039.89  357.965  4962.26  620.081  6578.53  438.391  526.458   33.325  608.634   20.379 -82.17621 39.06196 
1 1 1   12    9   11 o  523.089   18.452  5120.99  312.336  4251.68  540.784  5556.12  382.602  486.994   31.418  559.183   19.359 -72.18906 36.90327 
1 1 1   12    9   13 o  339.953   17.419  2054.28  209.301   0.0000   0.0000  2054.28  209.301  ?   ?   339.953   17.419      ?      ? 
1 1 1   12    9   15 o  445.445   26.165  3567.74  411.940   0.0000   0.0000  3567.74  411.940  ?   ?   445.445   26.165      ?      ? 
1 1 1   12    9   17 o  314.042   23.632  1773.93  262.307   0.0000   0.0000  1773.93  262.307  ?   ?   314.042   23.632      ?      ? 
1 1 1   12    9   19 o   47.921   12.353   32.822   27.520   21.517   39.956   43.025   37.959   44.678   17.463   51.164   17.478 -6.485630 24.70668 
1 1 1   12    9   21 o   51.901   12.808   42.989   29.124   51.301   39.499   33.086   43.113   54.517   17.814   49.285   18.409 5.232033 25.61684 
1 1 1   12    9   23 o   67.127   14.647   81.341   38.178   83.601   51.893   78.675   56.367   67.669   20.176   66.585   21.239 1.083916 29.29411 
1 1 1   12    9   25 o  372.808   15.790  2553.16  202.303  1864.84  283.332  3269.06  288.950  319.614   25.081  426.002   19.191 -106.3882 31.58092 
1 1 1   12    9   27 o  118.929   13.458  279.714   51.223  177.504   78.594  355.192   67.538   96.839   23.255  141.019   13.550 -44.18029 26.91500 
1 1 1   12    9   29 o  160.724   15.394  467.996   87.164  429.491  117.793  514.596  129.585  153.478   21.715  167.971   21.827 -14.49242 30.78895 
1 1 1   12    9   31 o   26.444   10.624   5.7858   15.178   5.7858   15.178   0.0000   0.0000   26.444   10.624  ?   ?       ?      ? 
1 1 1   12    9   33 o   65.234   15.030   63.496   48.315  134.421   63.515 -33.9015   74.431   83.722   21.387   46.745   21.123 36.97657 30.05955 
1 1 1   12    9   35 o   56.093   15.091   41.616   45.974   80.914   49.511 -204.3018  123.855   65.447   19.751   46.739   22.822 18.70808 30.18195 
1 1 1   12    9   37 o   70.394   18.293   82.899   47.002   82.446   50.572   85.774  127.356   65.256   20.018   75.533   30.623 -10.27666 36.58572 
1 1 1   12   10    0 o  947.297   28.111 16080.71  940.580 15418.51  1330.27 16742.73  1330.10  927.521   40.578  967.073   38.914 -39.55225 56.22181 
1 1 1   12   10    2 o  966.100   25.977 16985.04  827.781 15883.52  1434.22 17535.27  1013.66  939.929   43.172  992.270   28.903 -52.34113 51.95378 
1 1 1   12   10    4 o  560.600   18.879  5723.20  347.882  5226.03  603.091  5971.11  425.875  541.157   31.531  580.044   20.773 -38.88684 37.75887 
1 1 1   12   10    6 o  689.116   23.097  8441.32  562.557   0.0000   0.0000  8441.32  562.557  ?   ?   689.116   23.097      ?      ? 
1 1 1   12   10    8 o  459.661   26.299  3767.36  427.266   0.0000   0.0000  3767.36  427.266  ?   ?   459.661   26.299      ?      ? 
1 1 1   12   10   10 o  555.961   28.635  5534.10  562.688   0.0000   0.0000  5534.10  562.688  ?   ?   555.961   28.635      ?      ? 
1 1 1   12   10   14 o  421.829   25.691  3200.00  383.033  3200.00  383.033   0.0000   0.0000  421.829   25.691  ?   ?       ?      ? 
1 1 1   12   10   16 o   32.972   13.361   7.8603   24.232   0.0000   0.0000   7.8603   24.232  ?   ?    32.972   13.361      ?      ? 
1 1 1   12   10   18 o  214.592   13.113  815.193   94.736  854.554  162.288  794.847  116.680  218.079   21.055  211.105   15.638 6.974869 26.22684 
1 1 1   12   10   20 o  111.262   13.710  229.831   50.216  213.106   82.866  239.537   63.128  106.697   22.673  115.828   15.420 -9.130547 27.41965 
1 1 1   12   10   22 o  129.838   15.503  308.972   69.609  290.853   97.522  327.790   99.387  124.887   22.939  134.789   20.862 -9.902237 31.00669 
1 1 1   12   10   24 o  116.880   14.332  247.799   56.604  263.194   90.793  238.011   72.395  118.658   22.472  115.103   17.795 3.554230 28.66431 
1 1 1   12   10   26 o   85.160   17.618  136.953   55.066  146.169   67.506  118.625   95.194   88.059   21.805   82.261   27.680 5.797348 35.23676 
1 1 1   12   10   28 o   89.562   16.905  134.098   50.244  108.180   58.828  203.979   96.598   75.975   21.136  103.149   26.389 -27.17442 33.80997 
1 1 1   12   10   30 o  204.899   15.533  754.724  111.368  644.185  146.339  906.848  171.673  187.380   22.096  222.418   21.838 -35.03841 31.06664 
1 1 1   12   10   32 o   51.589   13.583   39.376   31.820   46.093   37.815   23.083   58.891   51.812   17.446   51.366   20.825 0.4454689 27.16656 
1 1 1   12   10   34 f  169.197   14.935  522.618   87.885  412.183  115.642  673.602  135.216  148.095   22.093  190.300   20.103 -42.20430 29.87048 
1 1 1   12   10   36 o   68.389   17.916   54.719   36.684   45.958   38.442  144.014  122.727   51.206   17.586   85.572   31.218 -34.36538 35.83114 
1 1 1   12   10   38 o   73.097   17.815  114.492   62.275  155.991   69.164 -63.2368  143.133   86.804   22.395   59.390   27.713 27.41403 35.63069 
1 1 1   12   11    1 o  185.134   22.276  608.772  145.759   0.0000   0.0000  608.772  145.759  ?   ?   185.134   22.276      ?      ? 
1 1 1   12   11    3 o  218.265   22.488  846.657  173.480   0.0000   0.0000  846.657  173.480  ?   ?   218.265   22.488      ?      ? 
1 1 1   12   11    5 f  458.616   26.272  3749.32  425.850   0.0000   0.0000  3749.32  425.850  ?   ?   458.616   26.272      ?      ? 
1 1 1   12   11    7 o  827.070   36.196 12321.91  1058.10   0.0000   0.0000 12321.91  1058.10  ?   ?   827.070   36.196      ?      ? 
1 1 1   12   11    9 o  226.020   15.566  910.845  124.258  955.445  176.462  866.982  175.000  231.549   21.562  220.491   22.456 11.05739 31.13167 
1 1 1   12   11   11 o   96.048   14.721  169.653   50.176  236.018   71.744  106.110   70.202  115.156   17.627   76.939   23.583 38.21774 29.44217 
1 1 1   12   11   13 o   32.591   8.5465   5.2526   15.694 -23.8874   23.029   30.524   21.446   23.481   11.008   41.701   13.076 -18.22039 17.09304 
1 1 1   12   11   15 o  197.658   14.078  709.969   92.137  668.964  158.802  730.777  113.124  192.812   23.302  202.504   15.805 -9.692490 28.15689 
1 1 1   12   11   17 o  243.969   14.650  1060.59  126.326   0.0000   0.0000  1060.59  126.326  ?   ?   243.969   14.650      ?      ? 
1 1 1   12   11   19 o   64.007   14.692   55.909   48.244  129.766   61.022 -67.2161   78.789   83.297   20.792   44.718   20.764 38.57858 29.38483 
1 1 1   12   11   21 o   88.570   21.961  147.333   68.407  147.333   68.407   0.0000   0.0000   88.570   21.961  ?   ?       ?      ? 
1 1 1   12   11   23 o  251.831   13.916  1193.83  114.699  996.260  194.445  1299.27  142.044  234.077   23.503  269.585   14.908 -35.50810 27.83185 
1 1 1   12   11   25 o  195.613   13.469  714.906   87.511  609.597  145.222  774.950  109.658  183.128   22.437  208.098   14.909 -24.96997 26.93857 
1 1 1   12   11   27 o  115.295   22.575  250.433   88.701  250.433   88.701   0.0000   0.0000  115.295   22.575  ?   ?       ?      ? 
1 1 1   12   11   29 o  142.533   21.557  371.825  108.600  371.825  108.600   0.0000   0.0000  142.533   21.557  ?   ?       ?      ? 
1 1 1   12   11   31 o   63.729   15.012   68.046   36.904   62.026   43.819   82.733   68.443   58.694   18.726   68.764   23.469 -10.06911 30.02462 
1 1 1   12   11   33 o  125.875   17.787  283.307   71.927  234.532   85.853  398.149  131.737  109.924   22.843  141.826   27.271 -31.90208 35.57423 
1 1 1   12   11   35 o   55.492   16.259   32.461   31.106   32.869   32.252   27.022  117.738   44.967   16.057   66.017   28.277 -21.04952 32.51806 
1 1 1   12   11   37 o   90.129   19.613  161.861   60.252  149.603   68.112  205.969  129.202   85.264   22.335   94.994   32.246 -9.729233 39.22575 
1 1 1   12   12    4 o  533.583   28.129  5091.24  530.483  5091.24  530.483   0.0000   0.0000  533.583   28.129  ?   ?       ?      ? 
1 1 1   12   12    6 o  535.207   28.202  5132.44  533.490  5132.44  533.490   0.0000   0.0000  535.207   28.202  ?   ?       ?      ? 
1 1 1   12   12    8 o  199.063   15.320  715.377  105.663  881.413  150.008  551.873  148.859  222.475   19.077  175.652   23.977 46.82332 30.64076 
1 1 1   12   12   10 o  180.948   12.578  537.971   77.203  775.780  133.435  418.304   94.655  208.645   18.094  153.252   17.475 55.39284 25.15502 
1 1 1   12   12   12 o  178.784   13.513  549.754   81.824  645.600  141.380  501.479  100.336  189.848   21.070  167.720   16.926 22.12785 27.02635 
1 1 1   12   12   14 o  102.099   14.193  183.796   47.751  230.130   81.209  159.310   59.035  111.427   21.398   92.771   18.651 18.65604 28.38531 
1 1 1   12   12   16 o  271.883   14.176  1327.95  128.721  1325.11  221.446  1329.40  158.190  270.953   23.123  272.812   16.406 -1.858093 28.35214 
1 1 1   12   12   18 o  128.782   16.457  296.634   74.907   0.0000   0.0000  296.634   74.907  ?   ?   128.782   16.457      ?      ? 
1 1 1   12   12   20 o  113.457   13.822  231.953   52.682  250.098   86.072  221.083   66.619  115.842   21.823  111.071   16.970 4.771072 27.64403 
1 1 1   12   12   22 o  323.407   16.956  1904.22  193.813  1908.52  273.526  1899.89  274.663  323.805   23.900  323.010   24.058 0.7955017 33.91172 
1 1 1   12   12   24 o  386.224   17.260  2730.73  234.728  2456.69  330.900  3008.30  333.021  366.061   25.575  406.387   23.185 -40.32535 34.52043 
1 1 1   12   12   26 o  168.416   13.518  524.945   76.895  469.573  125.075  558.591   97.496  160.459   22.054  176.374   15.640 -15.91455 27.03671 
1 1 1   12   12   28 o   75.930   15.411  108.110   43.783  122.641   61.673   93.347   62.167   80.485   21.335   71.374   22.244 9.111481 30.82194 
1 1 1   12   12   30 o  155.691   20.544  491.749  105.441  563.382  135.264  380.806  168.336  174.653   21.912  136.729   34.758 37.92453 41.08837 
1 1 1   12   12   32 o  ?   ?  -16.2802   1.5633 -18.0729   1.9710 -13.2400   2.5669  ?   ?   ?   ?       ?      ? 
1 1 1   12   12   34 o   48.535   16.976   39.804   35.900   39.804   35.900   0.0000   0.0000   48.535   16.976  ?   ?       ?      ? 
1 1 1   12   12   36 o   64.134   19.944   80.610   50.003   80.610   50.003   0.0000   0.0000   64.134   19.944  ?   ?       ?      ? 
1 1 1   12   13    1 o  559.074   20.319  5602.38  401.226  5366.07  567.196  5839.06  567.644  547.109   29.332  571.039   28.125 -23.93024 40.63699 
1 1 1   12   13    3 o  344.226   17.206  2122.25  208.556  2329.46  294.825  1914.72  295.062  361.272   23.089  327.180   25.516 34.09210 34.41160 
1 1 1   12   13    5 o  212.087   16.173  808.493  120.239  922.577  169.548  693.068  170.542  227.402   21.095  196.771   24.522 30.63089 32.34668 
1 1 1   12   13    7 o   76.077   15.505  106.012   44.264  120.146   61.111   90.412   64.202   80.555   21.182   71.598   22.649 8.957367 31.01042 
1 1 1   12   13    9 o  126.500   16.284  293.367   70.946  321.834   99.166  263.520  101.541  134.101   20.922  118.899   24.958 15.20224 32.56737 
1 1 1   12   13   11 o  261.665   13.783  1173.38  122.243  1407.54  211.446  1055.82  149.817  280.118   21.357  243.211   17.428 36.90698 27.56572 
1 1 1   12   13   13 o  336.568   14.669  1966.08  166.887  2264.08  288.692  1816.52  204.524  354.466   23.043  318.670   18.159 35.79645 29.33798 
1 1 1   12   13   15 o  118.118   13.035  239.030   52.480  291.943   89.674  211.467   64.721  127.484   19.902  108.751   16.838 18.73402 26.06916 
1 1 1   12   13   17 o  154.157   15.382  429.320   83.743  446.955  118.157  411.521  118.707  157.416   21.237  150.898   22.257 6.518707 30.76353 
1 1 1   12   13   19 o   65.060   19.705   76.823   49.214   76.823   49.214   0.0000   0.0000   65.060   19.705  ?   ?       ?      ? 
1 1 1   12   13   21 o   47.648   12.990   23.032   33.810   51.814   39.215 -60.3366   66.740   54.571   17.745   40.724   18.977 13.84680 25.98090 
1 1 1   12   13   23 o   75.605   14.397  103.577   39.348   81.489   51.696  133.996   60.666   66.806   20.187   84.403   20.532 -17.59740 28.79407 
1 1 1   12   13   25 o  178.267   21.877  579.422  137.843  579.422  137.843   0.0000   0.0000  178.267   21.877  ?   ?       ?      ? 
1 1 1   12   13   27 o   34.597   9.1023   16.066   15.127   8.5677   22.545   22.206   20.402   32.159   12.938   37.035   12.807 -4.875423 18.20460 
1 1 1   12   13   29 o  152.347   15.441  429.144   82.923  463.509  117.265  394.772  117.277  158.730   20.902  145.964   22.732 12.76620 30.88129 
1 1 1   12   13   31 o   87.990   14.561  133.745   43.724   90.741   53.750  217.876   75.180   69.244   20.508  106.737   20.675 -37.49311 29.12110 
1 1 1   12   13   33 o  143.868   19.438  420.038   92.920  428.263  116.977  405.974  152.965  149.661   22.114  138.075   31.974 11.58662 38.87626 
1 1 1   12   13   35 o   64.616   16.888   77.086   48.514   93.601   53.655   3.0937  113.571   68.637   20.527   60.594   26.822 8.043549 33.77515 
1 1 1   12   14    0 o  188.112   15.514  633.634  102.618  557.956  144.567  710.489  145.687  176.648   23.155  199.575   20.654 -22.92653 31.02753 
1 1 1   12   14    2 o   36.901   10.566   9.9562   21.128   9.4266   27.500   10.719   33.010   35.314   14.261   38.488   15.595 -3.174461 21.13248 
1 1 1   12   14    4 o  243.479   16.171  1063.22  138.954  1123.35  195.880  1002.31  197.146  250.523   22.122  236.435   23.591 14.08711 32.34102 
1 1 1   12   14    6 o  296.037   23.315  1573.30  243.947  1573.30  243.947   0.0000   0.0000  296.037   23.315  ?   ?       ?      ? 
1 1 1   12   14    8 o  150.171   16.539  413.712   85.053  464.654  119.120  360.730  121.481  161.012   20.932  139.328   25.613 21.68417 33.07790 
1 1 1   12   14   10 o  265.343   17.132  1280.37  158.793  1493.06  223.810  1064.78  225.333  288.195   21.972  242.492   26.291 45.70311 34.26363 
1 1 1   12   14   12 o  139.056   17.212  360.798   81.346  431.694  113.592  286.166  116.547  154.983   20.737  123.128   27.478 31.85477 34.42452 
1 1 1   12   14   14 o  185.077   13.425  595.526   84.171  681.985  144.749  551.355  103.462  194.580   21.047  175.574   16.672 19.00563 26.85074 
1 1 1   12   14   16 o  160.539   13.697  445.348   74.866  531.232  127.951  400.639   92.319  171.585   21.098  149.494   17.472 22.09126 27.39358 
1 1 1   12   14   18 o  220.822   22.364  883.560  174.550   0.0000   0.0000  883.560  174.550  ?   ?   220.822   22.364      ?      ? 
1 1 1   12   14   20 o  190.694   13.554  653.726   87.492  660.956  146.737  649.738  108.983  190.981   21.738  190.407   16.194 0.5745239 27.10736 
1 1 1   12   14   22 o  184.790   11.945  610.764   68.851  620.374  133.915  607.312   80.274  185.040   20.476  184.539   12.307 0.5010376 23.89003 
1 1 1   12   14   24 o  304.234   13.573  1683.79  126.781  1660.07  250.328  1691.97  147.033  300.934   23.535  307.534   13.527 -6.600983 27.14569 
1 1 1   12   14   26 o  107.953   14.292  199.627   49.347  277.704   90.924  167.027   58.752  121.405   21.999   94.501   18.251 26.90450 28.58450 
1 1 1   12   14   28 o   88.190   12.541  152.781   35.504  121.101   62.705  167.729   43.073   79.684   21.685   96.697   12.603 -17.01289 25.08153 
1 1 1   12   14   30 o   58.919   12.731   63.300   28.604   70.717   44.727   58.166   37.208   61.667   18.809   56.172   17.160 5.495083 25.46115 
1 1 1   12   14   32 o  168.427   13.815  546.716   79.321  465.489  123.362  603.968  103.568  155.905   22.387  180.949   16.194 -25.04431 27.63032 
1 1 1   12   14   34 o   48.415   22.843 -83.0994  101.989   0.0000   0.0000 -83.0994  101.989  ?   ?    48.415   22.843      ?      ? 
1 1 1   12   15    1 f  248.258   12.952  1054.21  108.882  1258.57  188.663  952.147  133.326  265.297   20.120  231.217   16.314 34.08003 25.90340 
1 1 1   12   15    3 o  525.125   20.287  5006.79  375.489  5417.75  530.583  4594.47  531.463  547.315   27.428  502.935   29.898 44.37958 40.57319 
1 1 1   12   15    5 o  313.158   23.761  1765.62  262.991   0.0000   0.0000  1765.62  262.991  ?   ?   313.158   23.761      ?      ? 
1 1 1   12   15    7 o  138.279   17.189  356.509   80.714  430.655  112.777  278.650  115.567  154.935   20.595  121.624   27.526 33.31149 34.37755 
1 1 1   12   15    9 o  498.247   20.436  4552.66  356.878  5199.82  504.132  3902.56  505.273  535.097   26.656  461.397   30.984 73.70071 40.87189 
1 1 1   12   15   11 o  161.962   14.937  457.930   81.918  522.231  140.884  425.087  100.688  169.939   23.456  153.984   18.500 15.95569 29.87369 
1 1 1   12   15   13 o  287.863   13.836  1436.52  134.857  1675.58  232.855  1315.87  165.424  304.689   21.623  271.037   17.268 33.65115 27.67185 
1 1 1   12   15   15 f  187.211   13.997  616.150   88.482  682.032  152.276  582.567  108.720  194.134   22.193  180.288   17.062 13.84636 27.99313 
1 1 1   12   15   17 o  195.067   12.222  657.434   74.934  739.244  147.559  629.005   86.985  202.307   20.636  187.827   13.103 14.47932 24.44477 
1 1 1   12   15   19 o   77.285   11.845  106.367   32.355   0.0000   0.0000  106.367   32.355  ?   ?    77.285   11.845      ?      ? 
1 1 1   12   15   21 o  218.449   12.156  838.570   83.214  903.006  162.959  815.841   96.784  223.119   20.664  213.779   12.809 9.340652 24.31225 
1 1 1   12   15   23 o  101.356   13.919  183.972   49.862   0.0000   0.0000  183.972   49.862  ?   ?   101.356   13.919      ?      ? 
1 1 1   12   15   25 o  240.837   12.839  1059.63   95.990  1035.85  185.930  1068.27  112.082  237.462   22.153  244.213   12.985 -6.751221 25.67829 
1 1 1   12   15   27 o   80.380   14.343  117.661   38.852  141.548   68.208  106.189   47.269   85.866   22.282   74.893   18.066 10.97341 28.68571 
1 1 1   12   15   29 f  122.300   13.445  270.228   58.119   0.0000   0.0000  270.228   58.119  ?   ?   122.300   13.445      ?      ? 
1 1 1   12   15   31 o  156.942   15.821  453.743   87.758   0.0000   0.0000  453.743   87.758  ?   ?   156.942   15.821      ?      ? 
1 1 1   12   16    0 o  494.886   16.932  4405.76  279.191  4435.83  483.500  4390.71  341.964  494.555   27.661  495.218   19.537 -0.6634827 33.86468 
1 1 1   12   16    2 o  234.411   12.918  937.952  102.730  1142.04  177.657  835.430  125.916  252.438   19.912  216.385   16.464 36.05348 25.83675 
1 1 1   12   16    4 o  217.300   14.679  862.711  105.305  804.606  181.911  891.997  129.145  211.046   24.387  223.553   16.345 -12.50734 29.35775 
1 1 1   12   16    6 f  216.520   14.318  839.161  103.621  850.676  178.679  833.325  127.195  217.077   23.288  215.964   16.664 1.112000 28.63609 
1 1 1   12   16    8 o  130.559   15.654  311.015   70.736  293.748   97.449  330.245  102.841  125.734   22.766  135.384   21.492 -9.650810 31.30844 
1 1 1   12   16   10 o   62.589   13.979   68.212   34.265   60.114   44.817   79.605   53.162   58.667   18.962   66.511   20.544 -7.844452 27.95760 
1 1 1   12   16   12 f  338.286   18.518  2106.94  218.388  2483.02  307.899  1726.19  309.804  369.968   23.546  306.603   28.588 63.36530 37.03683 
1 1 1   12   16   14 o  263.499   18.235  1287.60  165.903  1580.58  233.344  988.109  235.923  295.353   22.353  231.644   28.816 63.70886 36.46907 
1 1 1   12   16   16 o  267.942   13.332  1224.48  121.497  1550.01  209.455  1059.40  149.155  292.985   20.227  242.898   17.374 50.08659 26.66397 
1 1 1   12   16   18 o  446.035   14.995  3411.75  227.043  4320.78  393.391  2957.72  278.019  487.289   22.841  404.780   19.433 82.50903 29.98918 
1 1 1   12   16   20 o  188.822   12.593  649.307   73.656  628.919  142.950  656.676   85.943  185.859   21.761  191.784   12.679 -5.925186 25.18526 
1 1 1   12   16   22 o  122.520   12.479  258.300   49.754  304.652   93.249  239.852   58.828  129.392   20.390  115.648   14.392 13.74338 24.95758 
1 1 1   12   16   24 o   50.055   14.362   46.102   26.735   0.0000   0.0000   46.102   26.735  ?   ?    50.055   14.362      ?      ? 
1 1 1   12   16   26 o  234.173   22.849  1020.01  189.113   0.0000   0.0000  1020.01  189.113  ?   ?   234.173   22.849      ?      ? 
1 1 1   12   16   28 o  204.001   16.102  759.890  116.100   0.0000   0.0000  759.890  116.100  ?   ?   204.001   16.102      ?      ? 
1 1 1   12   16   30 o   86.099   13.864  145.523   40.292  139.313   65.857  149.238   50.939   83.782   21.969   88.417   16.916 -4.635025 27.72765 
1 1 1   12   16   32 f   79.061   17.900  136.467   64.669  189.367   76.179  -0.0036  122.356   96.112   22.774   62.010   27.623 34.10233 35.80047 
1 1 1   12   17    1 o  249.167   14.128  1072.31  119.190  1262.66  206.137  976.714  146.085  264.715   22.032  233.619   17.692 31.09602 28.25644 
1 1 1   12   17    3 o  206.420   16.179  771.490  117.677  830.707  165.224  710.526  167.642  214.689   21.774  198.151   23.937 16.53812 32.35882 
1 1 1   12   17    5 o  273.418   14.430  1298.09  133.491  1507.25  230.701  1192.81  163.674  288.842   22.598  257.993   17.950 30.84930 28.85917 
1 1 1   12   17    7 o   50.351   11.188   43.652   21.691   50.759   35.293   39.337   27.497   53.507   16.774   47.196   14.808 6.310581 22.37515 
1 1 1   12   17    9 o   83.245   13.675  124.015   38.256  152.394   64.394  108.536   47.558   90.206   20.644   76.285   17.940 13.92085 27.34943 
1 1 1   12   17   11 o  309.947   15.253  1673.29  160.016  1959.57  276.660  1529.37  196.155  328.350   23.839  291.544   19.036 36.80676 30.50687 
1 1 1   12   17   13 o  187.840   19.817  683.890  120.879  925.069  169.288  433.005  172.661  226.149   21.179  149.532   33.500 76.61754 39.63381 
1 1 1   12   17   15 o  293.900   15.893  1564.03  164.358  1370.79  226.275  1779.85  239.133  274.434   23.328  313.365   21.591 -38.93100 31.78614 
1 1 1   12   17   17 o  198.812   17.853  737.989  123.079  844.698  168.097  614.672  180.705  215.449   22.075  182.174   28.065 33.27512 35.70615 
1 1 1   12   17   19 o  365.610   24.884  2459.83  321.552   0.0000   0.0000  2459.83  321.552  ?   ?   365.610   24.884      ?      ? 
1 1 1   12   17   21 o  110.189   22.819  230.388   85.945   0.0000   0.0000  230.388   85.945  ?   ?   110.189   22.819      ?      ? 
1 1 1   12   17   23 o   92.161   15.235  153.161   49.627   0.0000   0.0000  153.161   49.627  ?   ?    92.161   15.235      ?      ? 
1 1 1   12   17   25 o   92.332   14.216  157.706   43.629  181.911   73.390  144.477   54.257   97.258   21.879   87.406   18.156 9.851387 28.43161 
1 1 1   12   17   27 f  191.424   13.986  678.679   91.326  694.130  150.549  669.683  114.876  191.891   22.197  190.958   17.020 0.9334869 27.97178 
1 1 1   12   17   29 o  107.112   12.936  234.480   42.409  179.215   75.551  259.904   51.244   94.555   22.859  119.669   12.116 -25.11334 25.87114 
1 1 1   12   17   31 o   43.874   13.285   17.766   28.727   29.507   30.017 -110.1299   99.069   42.688   15.460   45.059   21.609 -2.370888 26.56972 
1 1 1   12   18    0 o  272.319   12.966  1274.55  119.724  1528.15  206.857  1146.81  146.812  291.426   20.083  253.211   16.404 38.21432 25.93104 
1 1 1   12   18    2 o  234.351   15.481  992.703  127.808  893.497  179.219  1095.37  182.317  222.209   22.819  246.493   20.927 -24.28384 30.96206 
1 1 1   12   18    4 o  154.852   12.994  431.765   67.262  426.623  115.207  434.424   82.849  153.747   21.201  155.956   15.030 -2.209396 25.98814 
1 1 1   12   18    6 o  216.539   14.031  813.110  102.974  955.192  177.571  741.120  126.397  229.823   21.860  203.255   17.594 26.56715 28.06139 
1 1 1   12   18    8 o   70.095   15.217   87.421   40.005   94.415   67.534   83.640   49.654   72.734   23.253   67.457   19.637 5.277824 30.43478 
1 1 1   12   18   10 f  136.465   13.056  320.957   61.286  397.953  102.062  277.538   76.642  148.599   19.433  124.332   17.441 24.26715 26.11143 
1 1 1   12   18   12 o  158.369   13.129  429.131   71.414  553.613  119.520  360.013   89.060  175.226   19.299  141.513   17.806 33.71255 26.25807 
1 1 1   12   18   14 o  105.939   16.333  201.454   61.158   0.0000   0.0000  201.454   61.158  ?   ?   105.939   16.333      ?      ? 
1 1 1   12   18   16 o   96.126   22.203  174.837   73.914   0.0000   0.0000  174.837   73.914  ?   ?    96.126   22.203      ?      ? 
1 1 1   12   18   22 o   62.710   16.615   50.096   36.547   46.226   39.148   76.350  101.967   52.182   17.750   73.238   28.093 -21.05623 33.23081 
1 1 1   12   18   24 o   98.823   13.652  189.796   45.697  145.811   69.606  223.113   60.580   86.775   22.505  110.870   15.459 -24.09476 27.30320 
1 1 1   12   18   26 o   69.932   12.623   93.446   30.177   92.425   52.028   93.963   37.045   69.413   20.070   70.450   15.314 -1.036980 25.24571 
1 1 1   12   18   28 o  118.027   13.642  282.096   49.189  231.488   88.464  304.745   59.182  106.845   24.011  129.209   12.959 -22.36467 27.28466 
1 1 1   12   18   30 o   57.421   16.011   49.986   38.016   54.215   40.758   21.692  105.425   54.017   18.112   60.824   26.409 -6.807682 32.02300 
1 1 1   12   19    1 o  135.220   17.973  350.477   82.377  461.416  114.846  232.913  118.225  159.952   20.315  110.488   29.654 49.46445 35.94531 
1 1 1   12   19    3 o  231.008   15.487  942.054  120.720  1046.52  208.168  889.119  148.182  239.708   24.570  222.308   18.859 17.40051 30.97361 
1 1 1   12   19    5 o  420.537   15.124  3118.56  214.678  3471.78  370.132  2939.50  263.533  436.777   23.976  404.296   18.442 32.48148 30.24843 
1 1 1   12   19    7 o  128.470   13.275  294.099   58.552  309.860   95.872  284.724   73.945  130.929   20.718  126.010   16.603 4.918678 26.54933 
1 1 1   12   19    9 o  228.369   16.915  936.127  136.533   0.0000   0.0000  936.127  136.533  ?   ?   228.369   16.915      ?      ? 
1 1 1   12   19   11 o  169.747   21.781  523.408  130.676   0.0000   0.0000  523.408  130.676  ?   ?   169.747   21.781      ?      ? 
1 1 1   12   19   13 o  117.871   22.663  261.285   90.987   0.0000   0.0000  261.285   90.987  ?   ?   117.871   22.663      ?      ? 
1 1 1   12   19   15 o  130.331   15.697  314.690   70.739  299.379  100.012  330.018  100.068  126.029   23.311  134.633   21.029 -8.603683 31.39463 
1 1 1   12   19   17 o  231.232   13.057  944.634  103.002  1062.73  173.562  880.431  127.973  241.487   20.335  220.977   16.385 20.50986 26.11481 
1 1 1   12   19   19 o  125.916   14.701  293.825   62.493  298.727   99.214  290.601   80.459  125.360   23.248  126.472   18.000 -1.112465 29.40165 
1 1 1   12   19   21 o  218.408   13.903  870.400  103.450  897.237  171.549  855.063  129.684  219.970   22.065  216.846   16.921 3.124329 27.80590 
1 1 1   12   19   23 o  180.530   13.886  610.300   85.314  574.868  138.251  632.092  108.420  175.037   22.347  186.023   16.490 -10.98512 27.77235 
1 1 1   12   19   25 f   54.691   15.497   37.761   33.560   40.832   35.636   13.688   99.773   48.932   16.925   60.451   25.966 -11.51819 30.99482 
1 1 1   12   19   27 o   84.029   17.184  103.134   44.182   75.568   48.509  237.268  107.008   62.683   19.668  105.376   28.183 -42.69221 34.36760 
1 1 1   12   20    0 o  108.688   16.103  217.652   58.177  239.347   96.432  205.236   72.948  112.463   24.916  104.914   20.407 7.548332 32.20633 
1 1 1   12   20    2 o  142.999   17.644  367.422   89.176   0.0000   0.0000  367.422   89.176  ?   ?   142.999   17.644      ?      ? 
1 1 1   12   20    4 o  104.004   19.543  201.162   69.202   0.0000   0.0000  201.162   69.202  ?   ?   104.004   19.543      ?      ? 
1 1 1   12   20    6 o  148.428   21.557  399.573  113.089   0.0000   0.0000  399.573  113.089  ?   ?   148.428   21.557      ?      ? 
1 1 1   12   20    8 o  202.754   22.123  748.101  158.536   0.0000   0.0000  748.101  158.536  ?   ?   202.754   22.123      ?      ? 
1 1 1   12   20   10 o  292.484   16.517  1566.52  170.358  1686.86  241.094  1446.52  240.752  304.101   22.431  280.867   24.252 23.23459 33.03501 
1 1 1   12   20   12 o  118.903   14.752  259.671   58.335  267.897   96.614  254.952   73.180  118.919   23.817  118.887   17.416 0.3244781E-01 29.50479 
1 1 1   12   20   14 o   46.859   11.105   31.369   23.006   60.012   34.893   9.3418   30.599   57.047   16.419   36.671   14.957 20.37620 22.21026 
1 1 1   12   20   16 o  204.952   13.621  741.727   95.550  859.629  160.407  676.885  118.958  216.623   20.951  193.281   17.413 23.34166 27.24263 
1 1 1   12   20   18 o   56.627   12.628   56.151   28.625   74.358   42.302   40.771   38.879   63.095   18.055   50.160   17.659 12.93459 25.25516 
1 1 1   12   20   20 o  210.303   22.540  826.009  167.538   0.0000   0.0000  826.009  167.538  ?   ?   210.303   22.540      ?      ? 
1 1 1   12   20   22 o   44.255   11.066   31.365   21.750   25.089   30.637   37.744   30.884   41.749   15.534   46.762   15.766 -5.012581 22.13292 
1 1 1   12   20   24 o   57.537   12.764   62.042   28.981   56.023   42.145   67.441   39.918   55.528   18.413   59.545   17.682 -4.016209 25.52831 
1 1 1   12   20   26 o   11.786   4.7440  -7.5505   2.2066  -7.1124   2.2172 -52.8470   22.545   5.1844   2.6128   18.387   9.1212 -13.20306 9.488068 
1 1 1   12   21    1 o   66.811   20.199   81.550   51.748   0.0000   0.0000   81.550   51.748  ?   ?    66.811   20.199      ?      ? 
1 1 1   12   21    3 o  101.855   15.612  196.183   54.714  228.598   77.678  164.264   77.081  110.634   20.624   93.076   23.443 17.55874 31.22389 
1 1 1   12   21    5 o  152.196   15.463  422.508   82.951  388.196  117.438  456.672  117.183  145.826   22.785  158.566   20.909 -12.73962 30.92505 
1 1 1   12   21    7 o  101.033   12.313  189.424   41.769  175.403   65.672  198.948   54.127   96.699   19.879  105.367   14.534 -8.668518 24.62561 
1 1 1   12   21    9 o  213.360   13.401  805.572   97.382  895.922  164.411  756.744  120.865  221.773   20.975  204.947   16.686 16.82597 26.80221 
1 1 1   12   21   11 o   50.521   11.222   43.570   22.783   61.063   33.872   29.118   30.788   57.406   16.062   43.637   15.677 13.76868 22.44443 
1 1 1   12   21   13 o   62.271   13.357   71.061   31.684   70.374   49.217   71.546   41.404   62.462   19.838   62.079   17.891 0.3832970 26.71388 
1 1 1   12   21   15 o   96.575   13.304  171.357   43.317  205.971   67.837  147.527   56.287  104.741   19.025   88.409   18.602 16.33265 26.60830 
1 1 1   12   21   17 o  107.145   15.441  212.421   55.650  265.640   89.133  178.422   71.242  117.880   22.208   96.410   21.459 21.46978 30.88199 
1 1 1   12   21   19 o  119.803   13.569  257.590   56.196  303.944   91.802  229.811   71.067  127.841   20.317  111.765   17.991 16.07658 27.13743 
1 1 1   12   21   21 o   70.974   20.743   97.381   55.307   0.0000   0.0000   97.381   55.307  ?   ?    70.974   20.743      ?      ? 
1 1 1   12   21   23 o  138.530   13.936  368.719   66.128  351.767  105.628  379.644   84.802  134.523   22.216  142.537   16.833 -8.014191 27.87273 
1 1 1   12   21   25 o   34.508   9.1838   16.002   15.446   9.1177   21.440   23.430   22.272   31.301   12.609   37.714   13.356 -6.413437 18.36753 
1 1 1   12   22    0 o  149.816   19.370  439.854   97.193  526.640  129.808  329.124  146.626  169.995   21.605  129.637   32.157 40.35889 38.74026 
1 1 1   12   22    2 o  109.582   12.549  219.356   46.360  222.329   73.878  217.424   59.543  109.123   19.888  110.041   15.309 -0.9177780 25.09770 
1 1 1   12   22    4 o   88.077   14.490  140.862   43.887  184.779   69.641  111.933   56.523   99.069   20.562   77.086   20.420 21.98308 28.97918 
1 1 1   12   22    6 o  133.928   13.334  321.686   61.001  339.478  101.154  311.518   76.471  136.397   20.982  131.459   16.458 4.938004 26.66729 
1 1 1   12   22    8 o   45.698   11.739   26.983   25.375   49.430   37.843   8.6466   34.203   53.210   17.439   38.187   15.721 15.02237 23.47891 
1 1 1   12   22   10 o  109.338   14.273  212.215   53.060  295.498   84.902  158.841   67.968  127.385   18.857   91.291   21.432 36.09364 28.54664 
1 1 1   12   22   12 o  151.150   13.922  400.946   72.287  495.129  120.882  348.518   90.190  164.065   20.846  138.235   18.460 25.83018 27.84450 
1 1 1   12   22   14 o   71.948   14.519   95.056   38.745  122.164   59.625   75.244   50.973   79.861   20.886   64.036   20.173 15.82413 29.03755 
1 1 1   12   22   16 o   82.182   14.160  128.091   40.392  143.926   62.350  116.640   53.023   86.375   20.695   77.988   19.333 8.386856 28.32012 
1 1 1   12   22   18 f   69.528   12.451   95.565   31.910   56.857   47.842  126.584   42.828   57.047   19.618   82.009   15.339 -24.96194 24.90291 
1 1 1   12   22   20 o   36.054   9.6976   17.356   17.090   17.111   23.929   17.611   24.416   35.849   13.643   36.260   13.786 -0.4110184 19.39527 
1 1 1   12   22   22 o   67.128   13.303   89.040   32.752   85.151   49.365   92.098   43.775   65.802   19.692   68.454   17.893 -2.652290 26.60657 
1 1 1   12   23    1 o   94.319   16.814  153.889   53.046  122.824   63.539  225.346   96.365   80.509   21.795  108.129   25.610 -27.61979 33.62866 
1 1 1   12   23    3 o  104.081   17.771  202.431   62.360  186.329   77.157  232.764  105.896   98.787   22.590  109.375   27.439 -10.58780 35.54157 
1 1 1   12   23    5 o  106.573   13.303  210.490   47.819  208.225   75.770  211.990   61.646  104.824   21.180  108.322   16.102 -3.498299 26.60559 
1 1 1   12   23    7 o  236.338   13.184  997.418  105.724  1094.27  179.527  945.997  130.813  244.040   20.814  228.637   16.188 15.40327 26.36766 
1 1 1   12   23    9 o   46.623   11.585   32.667   24.033   49.344   36.113   19.408   32.199   52.704   17.020   40.542   15.723 12.16292 23.17097 
1 1 1   12   23   11 o  206.798   13.259  760.581   93.858  883.096  157.527  693.149  116.867  218.606   20.388  194.991   16.957 23.61508 26.51821 
1 1 1   12   23   13 o  112.624   14.041  240.801   52.936  229.301   84.551  248.215   67.888  108.695   22.739  116.553   16.480 -7.858383 28.08282 
1 1 1   12   23   15 o  101.659   13.062  195.974   44.836  188.341   70.470  201.165   58.117   98.503   20.889  104.815   15.688 -6.312027 26.12374 
1 1 1   12   23   17 o  108.276   14.906  223.601   54.036  262.795   86.831  198.829   69.031  115.515   22.072  101.036   20.038 14.47841 29.81141 
1 1 1   12   23   19 o   99.125   14.168  192.562   46.899  200.736   75.551  187.438   59.819   99.857   22.000   98.393   17.859 1.464172 28.33616 
1 1 1   12   23   21 o   43.633   11.297   30.602   22.750   31.795   31.352   29.274   33.062   43.851   15.812   43.414   16.140 0.4371796 22.59478 
1 1 1   12   24    0 o  284.446   13.923  1467.25  133.628  1533.28  227.206  1432.34  165.226  287.849   22.332  281.043   16.634 6.805695 27.84624 
1 1 1   12   24    2 o  165.727   13.680  497.442   77.506  525.726  128.248  481.168   97.281  168.706   21.508  162.748   16.912 5.958282 27.36063 
1 1 1   12   24    4 o  170.542   18.484  564.080  106.360  614.755  141.918  499.147  160.648  182.021   22.059  159.064   29.666 22.95749 36.96896 
1 1 1   12   24    6 o  118.566   19.090  293.226   89.432  465.802  119.975   77.419  134.163  158.410   21.428   78.722   31.601 79.68806 38.18090 
1 1 1   12   24    8 o  260.301   19.105  1320.39  172.003  1565.47  239.109  1057.56  247.612  288.285   23.467  232.317   30.156 55.96806 38.21071 
1 1 1   12   24   10 o  199.416   13.521  724.537   91.530  783.299  154.623  692.839  113.565  204.354   21.408  194.479   16.522 9.874252 27.04167 
1 1 1   12   24   12 o   79.748   14.514  121.912   40.720  138.889   63.440  110.017   53.102   84.190   21.303   75.305   19.718 8.885056 29.02790 
1 1 1   12   24   14 f  185.891   14.316  626.760   91.042  777.986  154.118  545.702  112.834  201.411   21.650  170.371   18.738 31.03989 28.63253 
1 1 1   12   24   16 o   56.210   12.847   58.802   28.863   61.878   44.255   56.525   38.076   57.532   18.858   54.888   17.450 2.643711 25.69338 
1 1 1   12   24   18 o   79.288   14.407  123.440   40.086  151.117   63.595  105.193   51.635   86.192   21.056   72.384   19.670 13.80839 28.81394 
1 1 1   12   25    1 o  179.099   14.254  595.451   86.347  593.018  144.111  596.814  107.850  177.552   22.964  180.647   16.892 -3.095261 28.50753 
1 1 1   12   25    3 o   25.296   6.9738   2.0583   10.049 -11.1325   13.954   16.266   14.482   19.131   8.8321   31.460   10.795 -12.32880 13.94756 
1 1 1   12   25    5 o  139.614   14.482  354.458   71.460   0.0000   0.0000  354.458   71.460  ?   ?   139.614   14.482      ?      ? 
1 1 1   12   25    7 o  104.726   13.899  207.539   48.920  212.036   79.268  204.773   62.171  104.011   22.236  105.440   16.683 -1.428871 27.79851 
1 1 1   12   25    9 o   93.401   18.432  179.438   61.823  187.577   76.353  163.944  105.349   97.132   22.656   89.670   29.081 7.461548 36.86493 
1 1 1   12   25   11 o  213.826   17.596  909.218  132.189  963.123  181.909  848.904  192.420  222.102   23.173  205.551   26.486 16.55080 35.19202 
1 1 1   12   25   13 o  136.117   17.544  372.448   80.206  337.332  103.685  424.770  126.562  128.972   23.616  143.263   25.950 -14.29106 35.08762 
1 1 1   12   25   15 o  117.324   12.560  269.170   49.007  248.815   77.897  282.504   63.048  111.498   20.523  123.150   14.485 -11.65154 25.11975 
1 1 1   12   26    0 o  148.160   12.827  409.945   64.830  403.659  105.790  413.725   82.039  146.215   20.471  150.105   15.463 -3.889816 25.65478 
1 1 1   12   26    2 o  118.581   13.513  265.821   53.956  273.549   86.411  260.883   69.077  118.393   21.440  118.770   16.455 -0.3776321 27.02651 
1 1 1   12   26    4 o   84.935   15.016  139.990   44.427  163.347   69.758  124.052   57.624   90.541   22.012   79.328   20.429 11.21307 30.03113 
1 1 1   12   26    6 o   58.842   13.111   64.788   30.174   70.850   46.465   60.368   39.679   61.040   19.263   56.644   17.791 4.396378 26.22190 
1 1 1   12   26    8 o   71.769   14.435   99.038   37.939  123.712   60.020   82.618   48.961   78.492   21.155   65.046   19.644 13.44676 28.86927 
1 1 1   12   26   10 o  130.669   16.894  322.722   78.023   0.0000   0.0000  322.722   78.023  ?   ?   130.669   16.894      ?      ? 
1 1 1   12   27    1 o  186.218   13.470  642.731   85.678  747.731  144.443  585.734  106.421  196.176   20.832  176.260   17.083 19.91638 26.94039 
1 1 1   12   27    3 o  135.094   13.052  347.342   60.103  354.865   99.013  342.952   75.630  134.888   20.768  135.300   15.815 -0.4121399 26.10442 
1 1 1   12   27    5 o   97.945   14.180  178.239   49.090   0.0000   0.0000  178.239   49.090  ?   ?    97.945   14.180      ?      ? 
1 1 1   13    0    1 o  1339.98   25.957 31924.60  1735.64 31924.60  1735.64 31924.60  1735.64  1339.98   36.709  1339.98   36.709 -0.000000 0.000000 
1 1 1   13    0    3 o   65.112   13.679   92.339   38.740   92.339   38.740   92.339   38.740   65.112   19.346   65.112   19.346 -0.000000 0.000000 
1 1 1   13    0    5 f  342.429   12.066  2089.48  205.356  2089.48  205.356  2089.48  205.356  342.429   17.064  342.429   17.064 -0.000000 0.000000 
1 1 1   13    0    7 o  866.277   18.541 13329.42  801.163 13329.42  801.163 13329.42  801.163  866.277   26.221  866.277   26.221 -0.000000 0.000000 
1 1 1   13    0    9 o  863.741   26.299 13327.43  1130.65 13327.43  1130.65 13327.43  1130.65  863.741   37.193  863.741   37.193 -0.000000 0.000000 
1 1 1   13    0   13 o  992.856   29.147 17666.13  1440.82 17666.13  1440.82 17666.13  1440.82  992.856   41.220  992.856   41.220 -0.000000 0.000000 
1 1 1   13    0   15 o  602.266   14.882  6453.35  446.766  6453.35  446.766  6453.35  446.766  602.266   21.046  602.266   21.046 -0.000000 0.000000 
1 1 1   13    0   17 o  278.526   11.524  1388.54  159.179  1388.54  159.179  1388.54  159.179  278.526   16.297  278.526   16.297 -0.000000 0.000000 
1 1 1   13    0   19 o  243.714   11.922  1068.68  143.641  1068.68  143.641  1068.68  143.641  243.714   16.861  243.714   16.861 -0.000000 0.000000 
1 1 1   13    0   21 f   39.471   14.423   40.479   36.584   40.479   36.584   40.479   36.584   39.471   20.397   39.471   20.397 -0.000000 0.000000 
1 1 1   13    0   25 o   42.684   14.678   47.794   36.762   47.794   36.762   47.794   36.762   42.684   20.758   42.684   20.758 -0.000000 0.000000 
1 1 1   13    0   27 o  107.968   13.593  226.192   66.425  226.192   66.425  226.192   66.425  107.968   19.223  107.968   19.223 -0.000000 0.000000 
1 1 1   13    0   29 o   41.567   16.602   41.215   52.865   41.215   52.865   41.215   52.865   41.567   23.478   41.567   23.478 -0.000000 0.000000 
1 1 1   13    0   31 o  132.660   12.582  330.383   79.216  330.383   79.216  330.383   79.216  132.660   17.793  132.660   17.793 -0.000000 0.000000 
1 1 1   13    0   33 o   9.2086   4.7530 -31.4079   13.181 -31.4079   13.181 -31.4079   13.181   9.2086   6.7218   9.2086   6.7218 -0.000000 0.000000 
1 1 1   13    0   35 o   23.867   10.716   3.5046   27.812   3.5046   27.812   3.5046   27.812   23.867   15.154   23.867   15.154 -0.000000 0.000000 
1 1 1   13    0   37 o   92.170   13.784  172.013   55.864  172.013   55.864  172.013   55.864   92.170   19.493   92.170   19.493 -0.000000 0.000000 
1 1 1   13    1    0 o  908.089   19.015 14632.77  610.296 14602.74  863.101 14662.79  863.076  907.153   26.919  909.025   26.863 -1.871216 38.02964 
1 1 1   13    1    2 o  819.099   17.728 11904.96  512.917 11417.53  725.357 12392.44  725.392  802.261   25.581  835.937   24.552 -33.67511 35.45646 
1 1 1   13    1    4 o   97.317   11.277  170.255   37.913  159.609   53.632  180.889   53.603   93.532   16.843  101.103   15.001 -7.571068 22.55440 
1 1 1   13    1    6 o  797.499   17.406 11286.55  490.510 11002.40  693.668 11570.72  693.703  787.418   24.924  807.580   24.303 -20.16205 34.81216 
1 1 1   13    1    8 o  279.732   11.470  1385.61  113.394  1362.05  160.420  1409.13  160.306  277.352   16.365  282.113   16.077 -4.761658 22.94068 
1 1 1   13    1   10 o  456.584   18.508  3705.70  298.534  3838.36  422.426  3573.33  421.958  464.794   25.714  448.374   26.626 16.42044 37.01572 
1 1 1   13    1   12 o  1162.44   27.232 23719.53  1064.45 25864.53  1843.64 22646.95  1303.70  1198.73   43.514  1126.14   32.754 72.59216 54.46396 
1 1 1   13    1   14 o  410.311   12.648  2987.59  183.356  3083.17  259.386  2892.13  259.223  416.897   17.603  403.725   18.166 13.17184 25.29620 
1 1 1   13    1   16 o  377.517   12.351  2531.92  164.750  2460.01  232.982  2603.84  233.000  372.128   17.714  382.907   17.216 -10.77930 24.70189 
1 1 1   13    1   18 f   76.899   12.585  109.531   33.579  119.973   47.588   99.177   47.388   80.595   17.228   73.202   18.351 7.393242 25.17048 
1 1 1   13    1   20 o   61.521   13.994   68.565   35.830   18.705   65.892   89.498   42.694   53.554   21.907   69.488   17.417 -15.93336 27.98737 
1 1 1   13    1   22 o  160.133   13.872  465.910   74.070  440.543  126.017  479.299   91.554  156.354   22.804  163.912   15.803 -7.558517 27.74427 
1 1 1   13    1   24 o  299.291   11.879  1602.83  125.636  1563.64  177.199  1642.46  178.157  295.575   16.962  303.007   16.635 -7.431458 23.75786 
1 1 1   13    1   26 o  252.105   14.521  1175.18  120.529  1063.40  207.301  1232.27  148.141  241.802   24.256  262.408   15.973 -20.60629 29.04287 
1 1 1   13    1   28 o   38.807   11.163  -0.6028   24.991   32.638   39.679 -22.4583   32.174   47.938   17.709   29.676   13.594 18.26189 22.32513 
1 1 1   13    1   30 o  147.475   13.682  389.317   68.607  408.308  114.889  378.791   85.532  149.806   21.698  145.145   16.673 4.661102 27.36428 
1 1 1   13    1   32 o   72.272   14.111   98.113   37.164  101.039   50.105   94.534   55.410   73.293   19.136   71.251   20.744 2.041649 28.22231 
1 1 1   13    1   34 o   71.531   12.892   97.603   32.868  110.541   44.649   82.299   48.560   76.652   16.932   66.409   19.444 10.24306 25.78323 
1 1 1   13    1   36 o   90.627   11.955  153.073   37.428  164.356   52.447  141.362   53.430   95.021   15.616   86.232   18.107 8.789154 23.91088 
1 1 1   13    1   38 o   94.505   16.047  178.525   52.953  169.212   74.379  188.097   75.406   91.864   22.969   97.147   22.417 -5.282440 32.09488 
1 1 1   13    2    1 o  398.965   12.532  2820.38  176.488  2985.86  249.657  2655.07  249.527  410.694   17.199  387.236   18.231 23.45822 25.06378 
1 1 1   13    2    3 o  452.633   12.967  3628.47  207.403  3540.69  293.316  3716.24  293.308  447.146   18.559  458.119   18.114 -10.97293 25.93428 
1 1 1   13    2    5 o  812.163   17.688 11706.38  507.556 11352.50  717.769 12060.31  717.815  799.834   25.390  824.492   24.632 -24.65765 35.37527 
1 1 1   13    2    7 o  314.245   13.443  1719.44  141.876  1656.67  173.756  1845.01  245.754  305.901   16.071  322.589   21.554 -16.68820 26.88594 
1 1 1   13    2    9 o  916.113   19.275 14924.96  623.698 14294.49  882.013 15555.51  882.070  896.641   27.831  935.586   26.675 -38.94470 38.55037 
1 1 1   13    2   11 o  819.097   21.065 11700.28  580.281 11164.35  710.564 12773.35  1005.45  792.458   25.369  845.736   33.636 -53.27863 42.13062 
1 1 1   13    2   13 o  311.664   14.329  1722.64  149.021  1729.54  257.538  1719.16  182.716  311.902   23.362  311.426   16.600 0.4760437 28.65863 
1 1 1   13    2   15 o  747.158   16.672  9947.04  440.155  9689.69  622.466 10204.39  622.479  737.413   23.883  756.903   23.268 -19.49030 33.34367 
1 1 1   13    2   17 o  253.737   11.237  1144.91  100.580  1230.23  142.560  1060.34  141.926  263.206   15.324  244.268   16.439 18.93839 22.47392 
1 1 1   13    2   19 o  130.473   11.251  303.793   51.692  333.223   73.006  274.206   73.201  136.874   15.091  124.073   16.692 12.80035 22.50272 
1 1 1   13    2   21 f   87.803   12.449  140.014   37.893  110.893   52.145  172.597   55.159   77.215   19.191   98.392   15.861 -21.17693 24.89708 
1 1 1   13    2   23 o  133.723   12.951  291.931   58.184  231.779   70.230  423.567  103.893  113.800   17.461  153.646   19.131 -39.84534 25.90142 
1 1 1   13    2   25 o  255.828   14.275  1177.14  121.279  1173.58  148.090  1184.37  211.339  256.076   16.362  255.580   23.395 0.4959259 28.54932 
1 1 1   13    2   27 o   63.607   14.011   76.329   36.208   97.879   43.004   23.856   67.107   72.448   17.074   54.765   22.220 17.68376 28.02245 
1 1 1   13    2   29 o  157.523   11.450  445.151   63.744  436.729   89.635  453.769   90.670  156.006   16.256  159.039   16.130 -3.033020 22.90073 
1 1 1   13    2   31 o  120.507   12.827  271.681   51.906  324.697   71.573  212.866   75.386  134.514   15.054  106.499   20.774 28.01540 25.65493 
1 1 1   13    2   33 o   95.481   13.236  169.514   42.930  151.342   57.722  192.007   64.220   89.652   18.816  101.310   18.621 -11.65804 26.47244 
1 1 1   13    2   35 o   78.303   12.769  112.819   34.547   88.364   45.225  147.086   53.533   68.311   18.344   88.296   17.769 -19.98454 25.53894 
1 1 1   13    2   37 o   52.841   11.516   47.346   23.696   31.743   30.249   72.132   38.124   44.107   15.571   61.575   16.972 -17.46754 23.03276 
1 1 1   13    2   39 o   78.626   21.714  124.791   62.335  124.791   62.335   0.0000   0.0000   78.626   21.714  ?   ?       ?      ? 
1 1 1   13    3    0 o  1173.30   23.262 24483.09  964.528 24028.46  1364.05 24937.73  1364.05  1162.33   33.203  1184.26   32.588 -21.92627 46.52365 
1 1 1   13    3    2 o  368.969   12.325  2412.50  160.496  2564.79  227.084  2260.49  226.866  380.636   16.879  357.302   17.964 23.33398 24.65028 
1 1 1   13    3    4 o  449.166   12.981  3573.03  206.077  3567.30  291.462  3578.76  291.410  448.805   18.374  449.527   18.341 -0.7218933 25.96160 
1 1 1   13    3    6 o  550.870   13.878  5376.99  270.216  5383.98  382.190  5370.01  382.096  551.229   19.617  550.512   19.637 0.7173462 27.75693 
1 1 1   13    3    8 o  653.933   15.540  7592.99  358.609  8083.68  507.225  7102.59  507.074  675.157   21.256  632.710   22.675 42.44720 31.07991 
1 1 1   13    3   10 o  317.886   13.916  1802.17  146.999  1822.70  180.104  1761.21  254.419  320.800   15.884  314.972   22.854 5.827576 27.83171 
1 1 1   13    3   12 o  236.034   17.711  987.701  147.757  987.701  147.757   0.0000   0.0000  236.034   17.711  ?   ?       ?      ? 
1 1 1   13    3   14 o  290.134   11.148  1492.51  114.315  1508.77  161.813  1476.31  161.519  291.716   15.694  288.553   15.837 3.162933 22.29613 
1 1 1   13    3   16 o  266.483   16.453  1267.35  154.960  1272.08  219.409  1262.65  218.885  266.980   23.252  265.985   23.283 0.9951477 32.90501 
1 1 1   13    3   18 o  213.663   16.121  818.518  121.463  753.523  171.419  884.057  172.133  205.026   23.655  222.299   21.908 -17.27335 32.24201 
1 1 1   13    3   20 o  193.223   11.266  668.477   76.223  561.188  107.217  778.116  108.385  177.350   17.105  209.097   14.666 -31.74698 22.53103 
1 1 1   13    3   22 o  136.033   16.582  339.838   77.697  349.609  106.438  328.692  113.679  139.379   21.606  132.687   25.161 6.691895 33.16459 
1 1 1   13    3   24 o  150.652   11.119  405.032   59.142  380.223   82.119  431.768   85.249  145.843   15.931  155.460   15.515 -9.617188 22.23734 
1 1 1   13    3   26 o  210.827   11.352  795.660   84.556  794.331  117.807  797.072  121.436  210.684   15.820  210.969   16.286 -0.2846832 22.70489 
1 1 1   13    3   28 o  177.373   11.240  562.782   70.402  541.433   97.135  586.408  102.183  173.849   15.808  180.898   15.982 -7.049454 22.47923 
1 1 1   13    3   30 o   81.382   16.579  118.665   50.539   87.678   66.160  162.080   78.312   70.380   23.057   92.384   23.828 -22.00320 33.15731 
1 1 1   13    3   32 o   36.331   10.625   6.0949   21.075   2.4891   25.732   13.441   36.730   31.924   13.427   40.738   16.471 -8.814753 21.24979 
1 1 1   13    3   34 o  113.074   14.641  229.643   54.441  209.878   66.414  270.124   95.049  107.419   17.493  118.730   23.482 -11.31065 29.28141 
1 1 1   13    3   36 f  105.358   13.823  193.742   48.768  153.922   59.882  272.167   84.038   89.589   19.468  121.128   19.629 -31.53902 27.64607 
1 1 1   13    3   38 o  168.187   22.533  548.275  133.947  548.275  133.947   0.0000   0.0000  168.187   22.533  ?   ?       ?      ? 
1 1 1   13    4    1 o  1158.19   22.597 23854.14  924.959 23517.65  1308.11 24190.61  1308.07  1149.97   32.184  1166.42   31.729 -16.43945 45.19429 
1 1 1   13    4    3 o  212.324   11.262  798.633   84.398  848.171  119.498  749.330  119.215  218.909   15.445  205.739   16.394 13.17015 22.52352 
1 1 1   13    4    5 o  655.054   19.137  7754.84  413.760  7237.92  716.353  8013.62  506.857  637.764   31.779  672.344   21.329 -34.57977 38.27359 
1 1 1   13    4    7 o  300.980   11.573  1604.17  123.108  1604.95  174.152  1603.38  174.051  301.053   16.367  300.906   16.365 0.1472778 23.14515 
1 1 1   13    4    9 f  846.629   25.974 12835.62  774.915 11707.91  1095.89 13963.34  1095.90  808.942   38.329  884.315   35.062 -75.37292 51.94718 
1 1 1   13    4   11 o  416.035   15.460  3009.56  216.169  2876.46  264.564  3276.91  374.948  402.755   18.585  429.315   24.710 -26.55984 30.91928 
1 1 1   13    4   13 o  397.899   25.006  2819.68  351.666  2819.68  351.666   0.0000   0.0000  397.899   25.006  ?   ?       ?      ? 
1 1 1   13    4   15 o  378.378   15.003  2452.07  192.398  2887.89  332.098  2231.89  236.047  402.423   23.349  354.332   18.848 48.09137 30.00686 
1 1 1   13    4   17 f  156.748   15.781  436.745   87.428   0.0000   0.0000  436.745   87.428  ?   ?   156.748   15.781      ?      ? 
1 1 1   13    4   19 o  390.131   12.427  2715.67  171.300  2634.18  241.728  2797.87  242.785  384.204   17.801  396.058   17.344 -11.85434 24.85319 
1 1 1   13    4   21 o  267.589   13.890  1279.37  123.791  1296.05  214.996  1271.10  151.407  268.260   22.675  266.917   16.049 1.343323 27.78026 
1 1 1   13    4   23 o  302.266   14.213  1666.45  142.160  1573.53  245.290  1713.44  174.444  294.860   23.537  309.671   15.938 -14.81140 28.42526 
1 1 1   13    4   25 f  126.945   11.595  290.991   51.533  313.794   70.152  264.261   75.951  132.530   14.976  121.360   17.707 11.17020 23.19087 
1 1 1   13    4   27 o  166.704   14.273  505.930   77.399  512.820   93.260  490.679  138.742  169.257   15.589  164.150   23.914 5.106506 28.54626 
1 1 1   13    4   29 o  157.220   11.898  446.926   65.637  471.900   89.323  417.614   96.772  162.212   15.580  152.227   17.986 9.984833 23.79555 
1 1 1   13    4   31 o   99.405   15.255  150.411   45.530  117.302   51.325  272.688   98.635   78.970   18.681  119.840   24.122 -40.87035 30.50949 
1 1 1   13    4   33 o   81.348   15.171  132.242   42.620  146.711   50.429   96.070   79.735   88.682   16.701   74.013   25.331 14.66922 30.34122 
1 1 1   13    4   35 o   86.732   17.496  160.058   54.105  182.906   60.594   70.203  120.164   98.531   18.065   74.933   29.968 23.59833 34.99172 
1 1 1   13    4   39 o   84.189   28.583  149.983  101.512   0.0000   0.0000  149.983  101.512  ?   ?    84.189   28.583      ?      ? 
1 1 1   13    5    0 o  841.627   17.997 12573.31  535.042 13067.75  756.736 12079.06  756.590  858.245   24.947  825.009   25.947 33.23602 35.99400 
1 1 1   13    5    2 o  421.193   12.860  3148.59  190.841  2860.84  269.938  3436.14  269.841  401.871   19.005  440.516   17.331 -38.64526 25.72043 
1 1 1   13    5    4 o  483.168   13.026  4135.45  222.435  4091.24  314.591  4179.65  314.551  480.580   18.521  485.757   18.321 -5.177124 26.05155 
1 1 1   13    5    6 o  548.872   14.362  5350.04  277.879  4898.86  392.901  5801.59  393.060  525.605   21.150  572.138   19.437 -46.53296 28.72488 
1 1 1   13    5    8 o  868.174   24.430 14122.94  685.680 11677.58  1187.68 15345.49  839.768  807.044   41.637  929.305   25.567 -122.2610 48.86030 
1 1 1   13    5   10 o  654.602   21.750  7660.02  501.425  6920.00  708.885  8401.04  709.359  622.597   32.214  686.606   29.231 -64.00928 43.49929 
1 1 1   13    5   12 o  488.504   13.355  4268.80  227.661  3485.08  321.405  5057.98  322.519  442.959   20.529  534.050   17.087 -91.09171 26.70938 
1 1 1   13    5   14 o  176.165   13.229  535.242   79.169  609.304  135.180  496.578   97.671  185.061   20.667  167.269   16.521 17.79134 26.45870 
1 1 1   13    5   16 o  134.686   16.419  379.481   66.697  221.306  116.666  456.276   81.291  109.052   29.538  160.320   14.346 -51.26819 32.83750 
1 1 1   13    5   18 o   33.599   9.7514   6.4431   18.527   9.1105   25.022   3.2064   27.563   33.864   13.628   33.335   13.951 0.5283127 19.50285 
1 1 1   13    5   20 o   57.759   11.885   60.636   25.676   59.866   35.047   61.527   37.724   57.278   16.447   58.241   17.162 -0.9626846 23.77069 
1 1 1   13    5   22 o  365.811   12.021  2394.63  155.249  2256.21  218.893  2534.73  220.223  355.054   17.443  376.569   16.546 -21.51489 24.04221 
1 1 1   13    5   24 o  224.181   13.708  910.023  102.409  885.182  175.719  922.800  126.023  221.173   22.479  227.189   15.694 -6.016800 27.41524 
1 1 1   13    5   26 o  180.091   15.892  586.296  100.796  521.158  138.710  659.175  146.721  169.381   23.170  190.800   21.757 -21.41896 31.78346 
1 1 1   13    5   28 o   98.045   16.587  184.560   51.299  192.786   58.654  157.787  105.812  103.689   16.005   92.401   29.057 11.28759 33.17344 
1 1 1   13    5   30 o  188.431   16.043  641.125  106.167  560.662  141.733  743.990  160.254  175.066   22.906  201.796   22.469 -26.73073 32.08607 
1 1 1   13    5   32 o  195.229   14.171  709.968   93.998  635.569  150.711  757.335  120.253  185.720   22.960  204.737   16.618 -19.01677 28.34258 
1 1 1   13    5   34 o   84.485   23.439  137.454   72.450  137.454   72.450   0.0000   0.0000   84.485   23.439  ?   ?       ?      ? 
1 1 1   13    5   36 o   53.234   20.258   40.013   52.755   0.0000   0.0000   40.013   52.755  ?   ?    53.234   20.258      ?      ? 
1 1 1   13    6    1 o  934.995   19.942 15536.73  658.755 15042.68  931.602 16030.82  931.640  920.045   28.648  949.946   27.748 -29.90088 39.88327 
1 1 1   13    6    3 o  308.083   15.856  1691.53  171.225  1436.47  241.423  1949.68  242.881  284.520   24.007  331.645   20.721 -47.12494 31.71267 
1 1 1   13    6    5 o  590.311   14.505  6195.59  301.349  5537.06  426.100  6854.57  426.243  558.738   21.577  621.884   19.392 -63.14648 29.01049 
1 1 1   13    6    7 o  914.613   19.478 14911.73  627.496 13496.81  887.323 16327.23  887.504  870.835   28.829  958.391   26.200 -87.55615 38.95581 
1 1 1   13    6    9 o  285.587   15.436  1485.00  144.656  1554.35  176.979  1345.41  251.083  296.156   16.908  275.018   25.831 21.13745 30.87218 
1 1 1   13    6   11 o  601.637   15.004  6450.76  317.522  5726.85  448.912  7175.52  449.175  567.575   22.378  635.699   19.991 -68.12445 30.00707 
1 1 1   13    6   13 o  257.765   13.805  1144.65  120.197  1065.14  147.290  1303.16  207.960  244.960   17.012  270.571   21.746 -25.61159 27.60981 
1 1 1   13    6   15 o  132.051   10.862  309.671   50.674  297.560   71.279  322.048   72.056  129.431   15.581  134.671   15.138 -5.239777 21.72422 
1 1 1   13    6   17 o  296.825   10.819  1569.02  113.237  1438.92  159.569  1701.00  160.719  284.341   15.878  309.309   14.701 -24.96765 21.63858 
1 1 1   13    6   19 o  304.362   10.860  1656.45  116.007  1425.27  163.353  1891.67  164.775  282.694   16.349  326.029   14.299 -43.33475 21.71999 
1 1 1   13    6   21 o  271.504   15.957  1328.43  152.924  1236.39  213.119  1426.12  219.560  261.702   23.041  281.307   22.083 -19.60507 31.91423 
1 1 1   13    6   23 o   86.486   14.093  140.998   41.745  131.053   65.196  147.908   54.346   83.668   21.820   89.304   17.842 -5.636627 28.18594 
1 1 1   13    6   25 o   49.331   12.176   34.176   27.053   13.916   36.157   59.944   40.777   40.761   16.390   57.901   18.011 -17.13997 24.35192 
1 1 1   13    6   27 o   88.012   17.613  148.616   57.834  172.800   74.502  111.945   91.742   95.718   22.416   80.307   27.173 15.41090 35.22564 
1 1 1   13    6   29 f  241.039   15.551  1057.65  130.922  856.090  180.449  1281.67  190.242  216.256   23.608  265.823   20.249 -49.56696 31.10251 
1 1 1   13    6   31 o  187.310   15.290  634.683   98.849  466.406  132.769  843.969  148.065  159.141   23.604  215.478   19.441 -56.33710 30.58007 
1 1 1   13    6   33 o  167.816   13.245  472.559   72.660  412.383   85.551  628.330  137.644  150.928   16.038  184.704   21.084 -33.77634 26.49058 
1 1 1   13    6   35 o   59.658   16.534   67.077   36.070   67.077   36.070   0.0000   0.0000   59.658   16.534  ?   ?       ?      ? 
1 1 1   13    6   37 o   65.124   16.936   76.087   49.696   97.423   54.644 -25.9819  119.514   70.596   20.614   59.653   26.878 10.94303 33.87259 
1 1 1   13    6   39 o   72.710   21.107  107.456   57.440  107.456   57.440   0.0000   0.0000   72.710   21.107  ?   ?       ?      ? 
1 1 1   13    7    0 o  328.550   19.051  2226.19  186.341  1260.85  322.849  2708.42  228.186  265.996   34.340  391.104   16.507 -125.1087 38.10182 
1 1 1   13    7    2 o  483.491   17.473  4301.79  275.561  3738.04  477.615  4583.08  337.375  458.407   29.479  508.574   18.769 -50.16745 34.94648 
1 1 1   13    7    4 o  809.455   24.818 11695.55  709.837 12031.17  1004.42 11360.67  1003.30  821.169   34.607  797.742   35.584 23.42743 49.63696 
1 1 1   13    7    6 o  118.838   13.209  255.410   50.372  251.468   88.349  257.308   61.314  117.123   22.154  120.553   14.390 -3.430191 26.41715 
1 1 1   13    7    8 o  496.811   19.288  4396.04  338.490  4224.47  478.850  4567.40  478.543  487.044   27.817  506.577   26.727 -19.53241 38.57640 
1 1 1   13    7   10 o  386.830   16.811  2822.75  208.712  2250.76  362.091  3107.35  255.410  355.092   28.851  418.569   17.264 -63.47751 33.62177 
1 1 1   13    7   12 o  461.419   13.589  3784.89  221.525  3662.62  313.211  3907.27  313.355  453.919   19.523  468.919   18.907 -14.99982 27.17723 
1 1 1   13    7   14 o  317.292   13.616  1837.71  142.267  1925.88  174.689  1664.07  245.160  329.351   15.007  305.233   22.725 24.11801 27.23263 
1 1 1   13    7   16 o  107.692   12.567  211.098   46.346  180.716   65.637  241.308   65.450   98.934   19.464  116.450   15.902 -17.51559 25.13413 
1 1 1   13    7   18 o  369.767   15.170  2546.75  183.041  2194.68  315.571  2725.26  224.702  348.573   25.614  390.961   16.261 -42.38760 30.34006 
1 1 1   13    7   20 o   50.005   11.611   41.403   25.230   15.703   38.081   61.510   33.683   42.183   16.870   57.827   15.959 -15.64424 23.22230 
1 1 1   13    7   22 o   66.927   14.566   80.532   37.821   75.365   52.279   86.206   54.783   64.995   20.422   68.859   20.775 -3.864197 29.13199 
1 1 1   13    7   24 o   93.775   15.641  164.658   51.418  129.319   71.194  203.190   74.340   83.211   23.288  104.338   20.887 -21.12632 31.28295 
1 1 1   13    7   26 f  188.258   15.825  642.838  105.256  626.700  146.351  660.129  151.490  185.834   22.282  190.681   22.478 -4.847839 31.65021 
1 1 1   13    7   28 o  147.689   23.999  399.310  125.276   0.0000   0.0000  399.310  125.276  ?   ?   147.689   23.999      ?      ? 
1 1 1   13    7   30 o  179.069   14.243  580.025   88.308  599.465  140.582  567.354  113.494  181.051   21.969  177.088   18.133 3.963028 28.48563 
1 1 1   13    7   32 o   69.939   18.184   70.678   44.650   69.329   47.874   79.691  123.758   61.862   19.557   78.015   30.663 -16.15326 36.36832 
1 1 1   13    7   34 o  117.060   14.965  259.502   60.223  223.149   84.965  296.205   85.374  107.293   23.089  126.827   19.046 -19.53439 29.93087 
1 1 1   13    7   36 o  139.853   17.543  340.773   79.152  273.966   92.986  516.541  150.826  117.782   23.162  161.925   26.354 -44.14373 35.08569 
1 1 1   13    7   38 o   68.857   20.565   94.409   53.879   94.409   53.879   0.0000   0.0000   68.857   20.565  ?   ?       ?      ? 
1 1 1   13    8    1 o  1041.99   28.920 20399.35  974.109 16901.43  1687.45 22147.55  1192.95  968.580   49.292  1115.41   30.260 -146.8248 57.83908 
1 1 1   13    8    3 o  713.355   22.741  9654.66  519.366  7579.85  899.857 10691.07  635.990  650.688   39.127  776.021   23.188 -125.3329 45.48201 
1 1 1   13    8    5 o  502.685   16.370  4476.21  274.327  4525.56  475.801  4451.63  335.750  504.333   26.692  501.037   18.959 3.295959 32.74056 
1 1 1   13    8    7 o  276.123   16.143  1358.07  156.803  1517.42  222.641  1201.23  220.874  292.317   21.549  259.930   24.042 32.38699 32.28592 
1 1 1   13    8    9 o  314.961   13.908  1745.77  146.377  1810.27  254.204  1713.77  179.039  319.034   22.544  310.887   16.294 8.146149 27.81559 
1 1 1   13    8   11 o  398.153   18.077  2816.07  254.385   0.0000   0.0000  2816.07  254.385  ?   ?   398.153   18.077      ?      ? 
1 1 1   13    8   13 o  172.940   15.980  531.389   97.678   0.0000   0.0000  531.389   97.678  ?   ?   172.940   15.980      ?      ? 
1 1 1   13    8   15 o  142.552   21.636  363.734  109.012   0.0000   0.0000  363.734  109.012  ?   ?   142.552   21.636      ?      ? 
1 1 1   13    8   17 o  179.569   21.895  578.971  138.965   0.0000   0.0000  578.971  138.965  ?   ?   179.569   21.895      ?      ? 
1 1 1   13    8   19 f   67.000   20.668   80.607   53.824   0.0000   0.0000   80.607   53.824  ?   ?    67.000   20.668      ?      ? 
1 1 1   13    8   21 o  143.050   15.741  369.864   79.535  360.383  113.539  378.998  111.449  141.180   22.754  144.921   21.758 -3.740570 31.48261 
1 1 1   13    8   23 o  390.090   17.894  2774.40  246.670  2833.50  349.004  2715.39  348.686  394.368   25.039  385.812   25.570 8.555206 35.78791 
1 1 1   13    8   25 o  190.029   13.893  641.052   89.989  689.974  150.685  613.931  112.194  195.121   21.850  184.937   17.164 10.18361 27.78521 
1 1 1   13    8   27 o  114.192   18.879  258.252   77.016  319.342   99.862  168.579  120.989  132.604   21.307   95.781   31.171 36.82268 37.75737 
1 1 1   13    8   29 o  119.941   14.775  266.276   60.741  262.486   91.374  269.276   81.307  117.949   22.743  121.934   18.866 -3.985420 29.54937 
1 1 1   13    8   31 o  165.375   15.390  492.233   88.975  413.476  116.907  600.655  137.168  149.893   22.067  180.858   21.458 -30.96523 30.77988 
1 1 1   13    8   33 f   79.168   15.840  116.699   45.488  102.398   58.121  139.306   73.075   73.431   21.207   84.905   23.534 -11.47398 31.68011 
1 1 1   13    8   35 o   37.140   12.315   4.6164   18.115   9.8654   18.353 -194.2856  112.974   30.128   11.818   44.152   21.609 -14.02461 24.62976 
1 1 1   13    8   37 o   95.483   20.529  208.511   74.747  233.540   85.150  124.450  156.050  107.244   23.143   83.723   33.914 23.52032 41.05825 
1 1 1   13    9    0 o  257.284   13.374  1220.12  111.757  1049.93  194.671  1303.78  136.489  243.193   22.648  271.374   14.230 -28.18015 26.74753 
1 1 1   13    9    2 o  740.455   22.208 10112.31  536.938  8867.54  930.616 10733.47  657.395  703.690   37.417  777.221   23.931 -73.53070 44.41541 
1 1 1   13    9    4 o  248.896   17.458  1183.54  137.913  898.879  239.986  1323.91  168.518  224.504   30.244  273.289   17.446 -48.78491 34.91547 
1 1 1   13    9    6 o  152.958   15.549  414.606   84.062   0.0000   0.0000  414.606   84.062  ?   ?   152.958   15.549      ?      ? 
1 1 1   13    9    8 o  445.665   19.049  3527.30  300.054   0.0000   0.0000  3527.30  300.054  ?   ?   445.665   19.049      ?      ? 
1 1 1   13    9   10 o  483.274   26.912  4178.08  459.687   0.0000   0.0000  4178.08  459.687  ?   ?   483.274   26.912      ?      ? 
1 1 1   13    9   12 o  132.514   21.613  313.527  101.228   0.0000   0.0000  313.527  101.228  ?   ?   132.514   21.613      ?      ? 
1 1 1   13    9   14 o   88.286   22.321  145.038   69.688   0.0000   0.0000  145.038   69.688  ?   ?    88.286   22.321      ?      ? 
1 1 1   13    9   16 o  288.382   23.222  1496.35  236.689   0.0000   0.0000  1496.35  236.689  ?   ?   288.382   23.222      ?      ? 
1 1 1   13    9   18 o  203.356   13.302  738.029   90.378  749.810  156.103  732.089  110.845  204.124   21.637  202.588   15.480 1.536545 26.60457 
1 1 1   13    9   20 o  204.775   13.145  752.851   89.959  751.031  154.542  753.783  110.635  204.080   21.425  205.471   15.234 -1.391281 26.28933 
1 1 1   13    9   22 o  476.743   16.504  4118.20  262.368  4140.23  453.134  4107.09  321.797  475.634   26.955  477.853   19.053 -2.218842 33.00873 
1 1 1   13    9   24 o  157.786   14.724  446.147   80.691  342.197  108.991  572.233  120.035  137.332   22.454  178.240   19.054 -40.90855 29.44900 
1 1 1   13    9   26 o  192.487   14.342  645.798   94.077  442.858  121.907  944.619  147.928  156.046   22.103  228.928   18.282 -72.88179 28.68432 
1 1 1   13    9   28 o  141.896   13.840  395.392   62.538  263.382   95.921  492.989   82.477  117.884   23.841  165.907   14.065 -48.02258 27.68079 
1 1 1   13    9   30 o  114.468   16.233  245.606   63.145  293.507   95.349  208.186   84.274  124.629   22.473  104.307   23.431 20.32166 32.46615 
1 1 1   13    9   32 o  149.732   13.871  422.441   71.259  348.139  107.833  480.042   94.944  136.912   22.284  162.553   16.525 -25.64101 27.74270 
1 1 1   13    9   34 o   96.658   16.409  181.833   54.932  168.186   72.504  200.223   84.163   92.660   22.389  100.657   23.996 -7.997032 32.81846 
1 1 1   13    9   36 o  134.070   22.178  349.179  105.093  349.179  105.093   0.0000   0.0000  134.070   22.178  ?   ?       ?      ? 
1 1 1   13   10    1 f  142.532   16.182  359.982   81.522   0.0000   0.0000  359.982   81.522  ?   ?   142.532   16.182      ?      ? 
1 1 1   13   10    3 o  522.201   19.479  4839.81  359.523   0.0000   0.0000  4839.81  359.523  ?   ?   522.201   19.479      ?      ? 
1 1 1   13   10    5 o  578.711   29.159  5983.04  596.429   0.0000   0.0000  5983.04  596.429  ?   ?   578.711   29.159      ?      ? 
1 1 1   13   10    7 o  442.210   25.957  3491.12  405.702   0.0000   0.0000  3491.12  405.702  ?   ?   442.210   25.957      ?      ? 
1 1 1   13   10    9 o  456.417   19.076  3739.48  306.760  3406.90  434.313  4070.55  433.336  435.840   28.194  476.993   25.703 -41.15314 38.15186 
1 1 1   13   10   11 o  528.114   19.391  5023.98  360.984  5452.39  511.318  4598.27  509.701  550.979   26.256  505.250   28.542 45.72894 38.78230 
1 1 1   13   10   13 o  237.904   13.504  1016.84  106.780  993.029  184.541  1028.82  130.924  235.360   22.184  240.449   15.405 -5.088593 27.00855 
1 1 1   13   10   15 o  433.244   17.803  3411.26  269.486  4004.69  381.953  2823.03  380.274  471.808   22.905  394.681   27.260 77.12762 35.60545 
1 1 1   13   10   17 o   30.633   9.1815   0.9705   15.901   4.3928   29.204  -0.4715   18.957   34.571   14.405   26.696   11.388 7.874762 18.36292 
1 1 1   13   10   19 o  509.838   16.656  4652.68  284.546  4880.15  491.817  4538.23  348.863  517.223   26.903  502.453   19.644 14.77008 33.31200 
1 1 1   13   10   21 o  233.210   14.263  1047.08  106.867  798.394  181.652  1178.70  132.157  209.488   24.534  256.932   14.553 -47.44347 28.52516 
1 1 1   13   10   23 o  105.499   13.437  218.432   46.604  141.893   71.419  275.194   61.504   86.852   22.928  124.146   14.017 -37.29419 26.87343 
1 1 1   13   10   25 o  152.355   14.871  422.862   76.469  316.930  103.564  549.846  113.389  130.040   23.393  174.671   18.367 -44.63135 29.74148 
1 1 1   13   10   27 o   52.177   11.446   3.8081   12.946  -2.0901   13.247  129.313   61.105   21.594   9.3684   82.761   20.888 -61.16663 22.89295 
1 1 1   13   10   29 o   77.374   17.289  112.647   61.772  173.480   72.836 -43.2119  116.585   95.453   22.036   59.295   26.647 36.15813 34.57825 
1 1 1   13   10   31 o  166.165   13.788  515.865   78.620  458.069  122.539  556.300  102.496  157.265   22.046  175.064   16.565 -17.79984 27.57558 
1 1 1   13   10   33 o  176.792   14.308  584.778   87.664  566.393  136.617  597.647  114.298  173.459   22.284  180.126   17.953 -6.666626 28.61613 
1 1 1   13   10   35 o   64.909   19.927   81.038   50.101   81.038   50.101   0.0000   0.0000   64.909   19.927  ?   ?       ?      ? 
1 1 1   13   10   37 o   82.472   19.678  116.148   51.921  101.437   55.989  206.470  138.732   70.798   20.921   94.145   33.335 -23.34727 39.35629 
1 1 1   13   11    2 o  538.427   28.147  5176.92  535.640   0.0000   0.0000  5176.92  535.640  ?   ?   538.427   28.147      ?      ? 
1 1 1   13   11    4 o  472.768   18.495  3991.41  308.830  4178.85  437.931  3805.98  435.581  483.912   25.605  461.624   26.697 22.28876 36.99084 
1 1 1   13   11    6 o  330.380   23.896  1948.19  279.040  1948.19  279.040   0.0000   0.0000  330.380   23.896  ?   ?       ?      ? 
1 1 1   13   11    8 o  426.086   15.404  3225.96  218.933  3285.86  379.741  3196.14  267.948  428.341   25.083  423.832   17.887 4.509308 30.80741 
1 1 1   13   11   10 o  129.778   13.659  285.863   60.001  351.685  104.469  253.463   73.295  140.263   21.073  119.293   17.383 20.96997 27.31767 
1 1 1   13   11   12 o  208.923   13.126  750.521   92.790  879.424  160.646  685.984  113.669  221.640   20.507  196.207   16.391 25.43263 26.25269 
1 1 1   13   11   14 o  159.330   13.594  444.678   72.940  486.664  126.034  423.535   89.439  164.584   21.666  154.076   16.424 10.50836 27.18751 
1 1 1   13   11   16 o   89.271   22.306  149.204   70.180   0.0000   0.0000  149.204   70.180  ?   ?    89.271   22.306      ?      ? 
1 1 1   13   11   18 o  200.325   14.101  749.328   92.701  641.750  157.764  806.058  114.565  188.192   23.719  212.457   15.257 -24.26546 28.20171 
1 1 1   13   11   20 o  382.881   15.049  2665.80  191.711  2594.60  329.876  2702.11  235.579  377.539   24.721  388.224   17.169 -10.68518 30.09809 
1 1 1   13   11   22 o  220.351   13.620  901.731   99.311  792.251  167.681  960.884  123.254  208.905   22.710  231.798   15.044 -22.89275 27.24089 
1 1 1   13   11   24 o  290.542   14.176  1574.96  135.994  1380.05  230.229  1679.42  168.540  274.976   23.689  306.109   15.578 -31.13309 28.35199 
1 1 1   13   11   26 o   95.105   17.507  173.495   75.988  296.821   95.508 -39.2219  125.434  127.705   21.160   62.505   27.896 65.19977 35.01362 
1 1 1   13   11   28 o  150.247   14.987  403.381   78.503  326.381  103.133  509.450  121.046  133.428   21.869  167.066   20.499 -33.63760 29.97477 
1 1 1   13   11   30 o  212.980   15.302  834.445  114.592  724.394  157.235  959.117  167.355  197.687   22.503  228.273   20.743 -30.58554 30.60493 
1 1 1   13   11   32 o   54.272   14.248   45.128   36.602   61.641   43.289   3.7163   68.552   58.185   18.618   50.359   21.574 7.826485 28.49676 
1 1 1   13   11   34 o   60.251   16.471   57.864   46.185   79.073   49.300 -94.2279  132.019   64.308   19.771   56.195   26.349 8.112949 32.94183 
1 1 1   13   11   36 f  124.995   19.304  302.220   76.327  253.908   89.468  431.404  146.301  110.866   23.559  139.124   30.586 -28.25787 38.60716 
1 1 1   13   12    1 o  552.825   28.665  5472.73  560.101  5472.73  560.101   0.0000   0.0000  552.825   28.665  ?   ?       ?      ? 
1 1 1   13   12    3 o  546.139   20.148  5348.45  388.883  5275.56  549.760  5421.43  550.166  542.364   28.679  549.915   28.306 -7.550842 40.29525 
1 1 1   13   12    5 o  393.271   17.650  2771.44  244.913  2581.07  345.842  2962.95  346.879  379.542   25.781  407.000   24.114 -27.45764 35.30043 
1 1 1   13   12    7 o  295.494   15.429  1595.20  149.960  1464.12  259.827  1660.68  183.630  285.522   25.747  305.465   17.008 -19.94287 30.85749 
1 1 1   13   12    9 o  205.323   13.743  725.464   95.380  847.058  165.407  664.894  116.743  217.488   21.518  193.157   17.100 24.33136 27.48514 
1 1 1   13   12   11 o  122.496   12.820  265.486   52.731  276.235   90.682  259.994   64.816  124.155   20.665  120.836   15.176 3.318657 25.63913 
1 1 1   13   12   13 o   86.880   15.487  140.907   47.695  157.851   67.733  124.241   67.173   91.952   21.265   81.808   22.520 10.14407 30.97338 
1 1 1   13   12   15 o  285.435   16.433  1472.40  165.740  1435.41  234.389  1509.40  234.395  281.767   23.536  289.102   22.939 -7.334045 32.86535 
1 1 1   13   12   17 o  258.647   16.523  1197.05  151.052   0.0000   0.0000  1197.05  151.052  ?   ?   258.647   16.523      ?      ? 
1 1 1   13   12   19 o  155.696   13.909  438.429   72.835  430.583  122.950  442.671   90.406  154.153   22.566  157.238   16.268 -3.084244 27.81824 
1 1 1   13   12   21 o   83.390   15.829  130.946   47.911  147.556   66.333  112.828   69.276   88.577   21.422   78.203   23.310 10.37415 31.65870 
1 1 1   13   12   23 o  154.244   14.969  430.699   81.296  381.528  112.439  484.562  117.680  144.887   21.957  163.602   20.351 -18.71483 29.93793 
1 1 1   13   12   25 o  150.296   15.258  410.277   80.886  376.878  111.167  447.851  117.912  143.753   21.880  156.839   21.271 -13.08556 30.51502 
1 1 1   13   12   27 o  159.690   13.411  482.759   72.037  380.730  112.869  552.887   93.574  144.050   22.169  175.329   15.100 -31.27876 26.82292 
1 1 1   13   12   29 o  209.019   15.242  803.296  111.999  695.934  153.841  924.368  163.368  193.834   22.455  224.203   20.616 -30.36879 30.48395 
1 1 1   13   12   31 f  133.287   15.474  320.816   69.656  248.943   88.599  437.142  112.716  113.337   22.906  153.237   20.811 -39.90029 30.94794 
1 1 1   13   12   33 o  124.122   19.797  308.861   79.863  292.699   96.024  345.125  143.838  121.604   23.188  126.640   32.095 -5.036064 39.59466 
1 1 1   13   12   35 o   87.172   22.394  155.859   69.362  155.859   69.362   0.0000   0.0000   87.172   22.394  ?   ?       ?      ? 
1 1 1   13   13    0 o  257.717   16.192  1186.98  147.373  1242.13  208.661  1132.09  208.173  263.754   22.383  251.680   23.402 12.07436 32.38307 
1 1 1   13   13    2 o  380.819   17.558  2606.92  235.058  2917.91  332.757  2297.17  332.089  403.873   23.311  357.766   26.262 46.10736 35.11586 
1 1 1   13   13    4 o  201.234   16.452  733.932  115.031  881.537  162.052  584.023  163.312  222.160   20.638  180.309   25.626 41.85013 32.90322 
1 1 1   13   13    6 o  134.176   21.795  322.446  103.361  322.446  103.361   0.0000   0.0000  134.176   21.795  ?   ?       ?      ? 
1 1 1   13   13    8 o  224.945   14.139  892.954  106.614  945.412  184.719  866.750  130.554  229.410   22.781  220.482   16.753 8.927856 28.27827 
1 1 1   13   13   10 o  212.048   15.427  810.272  114.993  909.691  163.107  712.021  162.146  225.225   20.490  198.871   23.068 26.35376 30.85406 
1 1 1   13   13   12 f  214.907   13.864  810.121  100.323  888.549  173.462  770.701  122.977  222.120   22.095  207.695   16.752 14.42433 27.72794 
1 1 1   13   13   14 o  315.265   14.187  1700.06  151.859  2103.61  262.514  1497.10  186.171  341.540   21.747  288.991   18.227 52.54990 28.37468 
1 1 1   13   13   16 o  152.975   14.058  430.912   71.455  391.069  120.893  452.305   88.585  146.896   23.285  159.055   15.758 -12.15916 28.11545 
1 1 1   13   13   18 o  269.446   13.712  1334.81  122.497  1223.73  208.762  1393.14  151.279  259.774   22.737  279.117   15.335 -19.34302 27.42488 
1 1 1   13   13   20 o  346.593   15.528  2186.82  179.470  2149.67  308.115  2205.90  220.792  342.864   25.426  350.322   17.832 -7.457642 31.05534 
1 1 1   13   13   22 o   96.577   13.795  174.697   45.747  151.436   69.050  192.893   61.073   89.545   21.980  103.610   16.677 -14.06581 27.59097 
1 1 1   13   13   24 o   80.914   14.063  124.106   40.274  100.436   57.834  146.393   56.118   73.409   21.142   88.419   18.549 -15.01015 28.12535 
1 1 1   13   13   26 o  156.276   13.322  464.172   69.697  360.321  109.693  534.482   90.258  140.120   22.149  172.432   14.810 -32.31174 26.64431 
1 1 1   13   13   28 o  171.514   14.199  536.054   83.905  390.122  113.424  712.428  124.695  145.229   22.097  197.798   17.836 -52.56950 28.39736 
1 1 1   13   13   30 o  190.258   15.706  674.933  105.344  619.622  143.427  739.722  155.229  181.783   22.323  198.734   22.099 -16.95157 31.41195 
1 1 1   13   13   32 o  111.333   18.172  249.358   68.549  242.734   87.040  260.176  111.239  110.659   23.005  112.007   28.136 -1.348557 36.34349 
1 1 1   13   13   34 o   67.404   16.730   87.502   56.701  132.982   63.790 -83.6852  123.759   80.848   21.818   53.960   25.368 26.88850 33.45999 
1 1 1   13   14    1 o  435.748   18.422  3418.77  283.715  3433.39  401.081  3404.14  401.388  436.701   25.985  434.795   26.119 1.905853 36.84355 
1 1 1   13   14    3 o  110.812   22.995  228.313   87.112  228.313   87.112   0.0000   0.0000  110.812   22.995  ?   ?       ?      ? 
1 1 1   13   14    5 o  312.096   17.083  1761.44  187.160  1990.64  264.398  1531.24  264.971  332.926   22.469  291.266   25.739 41.65994 34.16663 
1 1 1   13   14    7 o   94.741   16.247  168.129   53.857  176.257   74.831  159.394   77.573   97.146   22.270   92.336   23.662 4.810287 32.49320 
1 1 1   13   14    9 o  195.881   16.628  700.743  113.097  842.177  159.168  556.521  160.730  216.531   20.798  175.232   25.951 41.29881 33.25697 
1 1 1   13   14   11 o  189.714   17.175  663.838  112.124  823.812  157.322  498.699  159.842  213.992   20.800  165.436   27.336 48.55577 34.35014 
1 1 1   13   14   13 o  252.633   14.009  1102.58  120.005  1308.03  207.045  998.646  147.265  269.201   21.760  236.066   17.650 33.13559 28.01861 
1 1 1   13   14   15 o  114.109   14.888  233.007   55.923  277.269   94.607  209.236   69.332  121.892   22.798  106.326   19.154 15.56515 29.77594 
1 1 1   13   14   17 o  113.650   15.176  239.174   59.260  188.969   82.951  291.503   84.688  100.023   23.808  127.277   18.826 -27.25376 30.35137 
1 1 1   13   14   19 o  284.907   14.329  1478.00  136.123  1430.94  232.877  1502.42  167.768  280.357   23.501  289.457   16.399 -9.100586 28.65713 
1 1 1   13   14   21 o  159.130   14.025  455.750   76.525  469.067  125.013  447.771   96.774  160.538   22.032  157.721   17.360 2.816589 28.04977 
1 1 1   13   14   23 o  169.340   15.310  522.235   91.503  484.799  126.900  562.780  132.065  162.935   22.036  175.746   21.261 -12.81180 30.62016 
1 1 1   13   14   25 o   81.615   16.718  127.918   52.745  161.676   69.789   82.947   80.549   92.155   21.772   71.076   25.375 21.07945 33.43552 
1 1 1   13   14   27 o  155.647   12.305  438.293   61.986  446.641  113.424  434.738   74.016  155.809   20.596  155.485   13.468 0.3247070 24.60918 
1 1 1   13   14   29 o   34.777   9.4484   12.142   16.757   25.513   25.100   1.3905   22.507   40.045   14.179   29.508   12.492 10.53654 18.89673 
1 1 1   13   14   31 o   31.123   12.315   10.015   20.090   0.0000   0.0000   10.015   20.090  ?   ?    31.123   12.315      ?      ? 
1 1 1   13   15    0 o  181.394   15.644  590.794  100.296  589.682  141.670  591.913  142.012  181.223   22.118  181.564   22.130 -0.3410492 31.28769 
1 1 1   13   15    2 o  505.749   19.788  4646.31  353.064  4961.33  499.070  4330.68  499.545  523.396   26.978  488.102   28.956 35.29367 39.57636 
1 1 1   13   15    4 o  179.044   15.300  576.466   96.415  510.878  134.879  644.996  137.872  168.480   22.650  189.608   20.573 -21.12820 30.59900 
1 1 1   13   15    6 o  187.974   15.903  637.869  105.393  682.466  148.123  592.141  149.990  194.794   21.514  181.153   23.426 13.64082 31.80628 
1 1 1   13   15    8 o  150.892   18.078  433.564   90.738  573.403  127.165  288.517  129.511  178.643   20.140  123.141   30.027 55.50206 36.15583 
1 1 1   13   15   10 o  207.021   17.220  789.323  123.159  966.899  173.082  607.195  175.286  231.633   21.141  182.408   27.188 49.22562 34.44070 
1 1 1   13   15   12 o  303.667   17.999  1696.25  190.200  2017.52  268.033  1370.39  269.945  333.846   22.715  273.488   27.927 60.35809 35.99843 
1 1 1   13   15   14 o  204.845   17.459  775.923  123.671  942.311  173.351  603.466  176.484  228.299   21.483  181.391   27.528 46.90807 34.91860 
1 1 1   13   15   16 o   74.170   15.826   96.149   51.514  161.309   68.138   9.2124   78.704   92.661   21.257   55.680   23.453 36.98172 31.65290 
1 1 1   13   15   18 o  110.385   14.501  217.875   56.577   0.0000   0.0000  217.875   56.577  ?   ?   110.385   14.501      ?      ? 
1 1 1   13   15   20 o  191.275   11.500  642.839   69.553  690.266  134.214  625.425   81.326  195.317   19.442  187.232   12.289 8.084442 23.00025 
1 1 1   13   15   22 o  172.203   11.101  512.467   61.539  583.865  116.787  485.021   72.408  179.635   18.394  164.771   12.433 14.86362 22.20218 
1 1 1   13   15   24 o   42.902   10.219   30.045   19.407   11.256   29.584   44.238   25.712   36.746   14.808   49.059   14.087 -12.31325 20.43838 
1 1 1   13   15   26 o  107.441   14.569  208.303   55.324   0.0000   0.0000  208.303   55.324  ?   ?   107.441   14.569      ?      ? 
1 1 1   13   15   28 o   97.646   14.970  173.276   51.666   0.0000   0.0000  173.276   51.666  ?   ?    97.646   14.970      ?      ? 
1 1 1   13   15   30 o  100.243   13.869  183.496   49.139   0.0000   0.0000  183.496   49.139  ?   ?   100.243   13.869      ?      ? 
1 1 1   13   15   32 o   38.069   14.269   21.063   25.946   21.063   25.946   0.0000   0.0000   38.069   14.269  ?   ?       ?      ? 
1 1 1   13   16    1 o  197.656   12.247  661.572   82.182  833.186  142.318  575.720  100.660  215.688   18.669  179.624   15.855 36.06387 24.49300 
1 1 1   13   16    3 o  186.249   16.664  634.574  107.751  761.443  151.443  504.509  153.339  205.790   20.821  166.709   26.024 39.08054 33.32826 
1 1 1   13   16    5 o  314.279   15.061  1716.30  160.022  1992.93  277.069  1577.84  196.021  331.933   23.617  296.625   18.697 35.30817 30.12185 
1 1 1   13   16    7 o  348.524   14.977  2103.01  176.676  2489.33  305.975  1909.78  216.397  370.855   23.343  326.194   18.770 44.66187 29.95337 
1 1 1   13   16    9 f  449.462   16.032  3502.60  244.086  4195.90  422.615  3155.57  298.997  480.345   24.893  418.579   20.210 61.76608 32.06388 
1 1 1   13   16   11 o  145.888   17.754  401.762   87.486  490.377  121.785  307.267  125.760  164.817   20.906  126.959   28.700 37.85790 35.50713 
1 1 1   13   16   13 o   75.403   15.964  105.096   47.539  135.953   63.478   65.688   71.737   85.088   21.188   65.717   23.884 19.37135 31.92784 
1 1 1   13   16   15 o  132.648   18.625  353.427   95.241  642.232  132.600   45.666  136.883  188.622   19.890   76.673   31.494 111.9491 37.24900 
1 1 1   13   16   17 o  338.922   18.205  2117.03  217.252  2269.66  302.983  1955.50  311.684  352.223   24.338  325.621   27.082 26.60184 36.41098 
1 1 1   13   16   19 o   75.159   19.726  106.067   53.062   0.0000   0.0000  106.067   53.062  ?   ?    75.159   19.726      ?      ? 
1 1 1   13   16   21 o  109.044   12.598  212.578   48.554   0.0000   0.0000  212.578   48.554  ?   ?   109.044   12.598      ?      ? 
1 1 1   13   16   23 o   41.967   14.068   29.831   24.589   0.0000   0.0000   29.831   24.589  ?   ?    41.967   14.068      ?      ? 
1 1 1   13   16   25 o  108.891   14.914  214.363   57.401   0.0000   0.0000  214.363   57.401  ?   ?   108.891   14.914      ?      ? 
1 1 1   13   16   27 o   72.675   13.263  101.809   33.766   95.907   54.639  105.456   42.949   70.844   20.592   74.507   16.720 -3.662804 26.52529 
1 1 1   13   16   29 o   69.445   13.877   85.090   34.915  131.023   59.312   60.732   43.192   81.547   20.578   57.344   18.623 24.20314 27.75360 
1 1 1   13   16   31 o   81.600   18.385  148.932   66.403  195.888   77.654   21.181  128.085   97.649   22.897   65.551   28.770 32.09759 36.76952 
1 1 1   13   17    0 o  359.087   14.905  2242.96  180.822  2592.35  313.310  2068.46  221.420  378.543   23.417  339.632   18.445 38.91168 29.80952 
1 1 1   13   17    2 o   59.047   14.091   58.882   35.004   67.074   46.306   47.960   53.471   61.355   19.211   56.738   20.620 4.616123 28.18247 
1 1 1   13   17    4 o  110.099   13.564  224.849   48.447  211.612   82.684  231.769   59.784  106.251   22.706  113.947   14.844 -7.695786 27.12800 
1 1 1   13   17    6 o  117.074   13.569  231.369   52.977  333.886   90.585  178.079   65.310  136.313   18.802   97.835   19.571 38.47797 27.13885 
1 1 1   13   17    8 o  199.567   13.918  685.853   94.325  831.214  162.584  612.102  115.807  214.454   21.450  184.680   17.742 29.77480 27.83640 
1 1 1   13   17   10 o  111.403   14.563  238.590   54.702  362.323   77.981  118.719   76.755  142.311   15.504   80.496   24.656 61.81501 29.12546 
1 1 1   13   17   12 o  137.225   13.046  344.497   61.090  315.019   97.767  363.379   78.246  131.972   20.960  142.478   15.538 -10.50681 26.09126 
1 1 1   13   17   14 o  170.888   10.921  512.510   64.542  572.877  104.701  475.512   81.968  178.668   16.580  163.108   14.218 15.55984 21.84167 
1 1 1   13   17   16 o  189.069   26.775  660.073  178.926   0.0000   0.0000  660.073  178.926  ?   ?   189.069   26.775      ?      ? 
1 1 1   13   17   18 o  125.652   23.114  297.373   98.869   0.0000   0.0000  297.373   98.869  ?   ?   125.652   23.114      ?      ? 
1 1 1   13   17   22 o  172.690   22.000  550.083  134.279  550.083  134.279   0.0000   0.0000  172.690   22.000  ?   ?       ?      ? 
1 1 1   13   17   24 o  134.257   15.419  335.073   73.165  333.608  103.175  336.555  103.769  133.966   21.790  134.548   21.821 -0.5811310 30.83753 
1 1 1   13   17   26 o   49.026   11.672   40.865   23.519   47.344   37.524   36.673   30.183   51.903   17.379   46.148   15.586 5.755192 23.34433 
1 1 1   13   17   28 o   82.788   12.277  136.781   33.479  110.177   57.518  150.413   41.173   74.717   20.940   90.858   12.821 -16.14172 24.55325 
1 1 1   13   17   30 o   72.166   21.050  105.114   57.006  105.114   57.006   0.0000   0.0000   72.166   21.050  ?   ?       ?      ? 
1 1 1   13   18    1 o  235.687   16.563  1011.11  137.337  1110.33  193.065  909.483  195.402  247.780   22.045  223.595   24.726 24.18477 33.12636 
1 1 1   13   18    3 o  127.087   12.715  276.660   55.100  341.052   94.145  243.113   67.954  137.660   19.350  116.513   16.501 21.14739 25.43024 
1 1 1   13   18    5 o  111.835   12.613  215.238   48.115  260.338   81.980  191.539   59.428  120.250   19.289  103.421   16.258 16.82939 25.22631 
1 1 1   13   18    7 o   94.735   15.100  162.100   48.658  206.773   78.128  133.794   62.191  105.048   21.758   84.422   20.943 20.62585 30.20034 
1 1 1   13   18    9 o  192.415   11.644  652.905   76.783  707.714  127.097  621.404   96.355  198.378   18.127  186.452   14.621 11.92529 23.28870 
1 1 1   13   18   11 o   84.518   18.992  133.708   55.353   0.0000   0.0000  133.708   55.353  ?   ?    84.518   18.992      ?      ? 
1 1 1   13   18   13 o  210.371   22.211  805.795  165.149   0.0000   0.0000  805.795  165.149  ?   ?   210.371   22.211      ?      ? 
1 1 1   13   18   15 o  141.195   21.547  363.137  107.527   0.0000   0.0000  363.137  107.527  ?   ?   141.195   21.547      ?      ? 
1 1 1   13   18   17 o  234.157   22.603  1004.92  187.066   0.0000   0.0000  1004.92  187.066  ?   ?   234.157   22.603      ?      ? 
1 1 1   13   18   19 o   85.366   16.091  135.613   46.768   0.0000   0.0000  135.613   46.768  ?   ?    85.366   16.091      ?      ? 
1 1 1   13   18   21 o  168.087   14.317  506.039   83.003  578.711  136.090  462.993  104.739  176.957   21.759  159.217   18.612 17.74007 28.63334 
1 1 1   13   18   23 o   84.663   17.921  130.222   52.864  119.748   61.636  159.363  102.810   78.872   21.514   90.453   28.666 -11.58160 35.84113 
1 1 1   13   18   25 o   74.882   16.528   83.682   40.901   63.969   45.566  165.423   92.788   59.059   19.123   90.705   26.964 -31.64560 33.05656 
1 1 1   13   18   27 o  119.641   19.500  303.632   78.940  315.013   99.480  284.278  129.720  125.386   23.305  113.897   31.271 11.48901 39.00001 
1 1 1   13   18   29 o   58.961   14.120   62.182   33.523   52.816   41.077   80.860   58.010   53.526   18.182   64.397   21.608 -10.87159 28.24008 
1 1 1   13   19    0 o  135.618   15.032  350.971   65.775  293.567  108.483  384.342   82.713  124.721   25.471  146.514   15.972 -21.79337 30.06443 
1 1 1   13   19    2 o  417.909   14.493  3154.36  202.620  3153.34  347.364  3154.89  249.454  416.394   23.603  419.425   16.827 -3.031586 28.98697 
1 1 1   13   19    4 o  169.373   13.982  512.669   80.662  535.744  134.442  499.690  100.826  171.887   22.130  166.860   17.096 5.027283 27.96424 
1 1 1   13   19    6 o   54.330   16.849   52.793   35.715   0.0000   0.0000   52.793   35.715  ?   ?    54.330   16.849      ?      ? 
1 1 1   13   19    8 o  103.401   22.318  201.334   79.173   0.0000   0.0000  201.334   79.173  ?   ?   103.401   22.318      ?      ? 
1 1 1   13   19   10 o  172.067   21.796  538.530  132.554   0.0000   0.0000  538.530  132.554  ?   ?   172.067   21.796      ?      ? 
1 1 1   13   19   12 o  238.410   15.690  1045.98  130.141  1254.66  184.327  838.567  183.769  263.088   19.823  213.731   24.327 49.35684 31.38059 
1 1 1   13   19   14 f  174.875   12.282  528.820   74.286  683.218  120.736  434.765   94.234  194.513   17.562  155.238   17.175 39.27483 24.56394 
1 1 1   13   19   16 o  172.617   11.565  551.674   67.922  477.116  107.416  601.346   87.675  162.084   18.750  183.149   13.544 -21.06490 23.13039 
1 1 1   13   19   18 o  163.941   13.265  493.530   74.723  473.699  119.139  506.389   95.937  160.572   20.992  167.309   16.224 -6.736832 26.53090 
1 1 1   13   19   20 o  141.258   16.517  362.748   82.466   0.0000   0.0000  362.748   82.466  ?   ?   141.258   16.517      ?      ? 
1 1 1   13   19   22 o   72.410   14.526   97.630   39.391  129.322   59.081   72.267   52.852   81.819   20.479   63.002   20.607 18.81652 29.05195 
1 1 1   13   19   24 o  110.211   19.274  243.339   70.760  233.250   85.338  265.536  126.584  108.531   22.963  111.890   30.961 -3.358795 38.54723 
1 1 1   13   19   26 o   41.327   10.552   18.492   17.518   9.4414   19.920   49.380   36.798   30.682   12.224   51.971   17.204 -21.28865 21.10478 
1 1 1   13   20    1 o  222.700   24.662  906.172  194.123   0.0000   0.0000  906.172  194.123  ?   ?   222.700   24.662      ?      ? 
1 1 1   13   20    3 o  121.224   22.606  275.206   93.293   0.0000   0.0000  275.206   93.293  ?   ?   121.224   22.606      ?      ? 
1 1 1   13   20    5 o  177.331   21.824  571.768  136.783   0.0000   0.0000  571.768  136.783  ?   ?   177.331   21.824      ?      ? 
1 1 1   13   20    7 o  167.204   15.408  508.881   91.054  514.992  128.889  502.793  128.650  168.232   21.676  166.177   21.904 2.054962 30.81628 
1 1 1   13   20    9 o  213.535   13.132  815.963   95.316  854.767  159.694  794.490  118.798  216.818   20.839  210.252   15.986 6.566910 26.26432 
1 1 1   13   20   11 o  225.466   13.429  901.357  103.150  996.140  173.811  849.824  128.160  233.779   21.035  217.154   16.698 16.62518 26.85720 
1 1 1   13   20   13 o  163.717   13.562  480.319   76.067  514.891  125.629  460.308   95.579  167.804   21.182  159.629   16.941 8.175659 27.12308 
1 1 1   13   20   15 o  192.690   13.108  639.519   86.785  854.318  144.475  518.258  108.552  216.542   18.877  168.839   18.191 47.70340 26.21514 
1 1 1   13   20   17 o   45.583   11.542   32.455   23.557   31.965   34.441   32.885   32.293   45.739   16.561   45.427   16.083 0.3116417 23.08492 
1 1 1   13   20   19 o   29.988   8.4237   7.9874   13.403   3.4838   18.224   13.293   19.781   27.497   11.412   32.479   12.394 -4.982733 16.84732 
1 1 1   13   20   21 o   53.618   11.891   52.380   25.381   41.379   36.065   63.175   35.727   49.336   17.029   57.899   16.600 -8.562286 23.78116 
1 1 1   13   20   23 o   33.556   9.0334   14.740   14.792   16.192   21.908   13.523   20.054   34.568   13.078   32.545   12.465 2.023365 18.06684 
1 1 1   13   20   25 o  126.568   13.553  327.638   51.177  271.708   94.570  350.799   60.858  114.771   24.081  138.365   12.444 -23.59351 27.10658 
1 1 1   13   21    0 o  182.924   21.990  609.360  142.173  609.360  142.173   0.0000   0.0000  182.924   21.990  ?   ?       ?      ? 
1 1 1   13   21    2 o  102.140   16.007  197.788   56.339  177.339   79.862  218.045   79.490   96.600   23.594  107.679   21.637 -11.07889 32.01300 
1 1 1   13   21    4 o  179.695   13.632  580.874   83.574  599.668  138.307  570.065  104.889  181.424   21.569  177.967   16.675 3.457047 27.26324 
1 1 1   13   21    6 o  220.223   18.501  877.397  144.001   0.0000   0.0000  877.397  144.001  ?   ?   220.223   18.501      ?      ? 
1 1 1   13   21    8 o  146.157   13.252  393.791   65.574  362.349  107.026  412.688   82.972  140.826   21.502  151.488   15.496 -10.66188 26.50462 
1 1 1   13   21   10 o  168.780   12.777  525.711   72.742  482.718  119.605  550.949   91.637  162.506   20.824  175.053   14.811 -12.54744 25.55378 
1 1 1   13   21   12 o   41.956   10.897   25.641   21.163   24.103   31.328   26.933   28.701   41.895   15.684   42.016   15.132 -0.1204605 21.79357 
1 1 1   13   21   14 o  222.503   14.048  894.695  106.247  959.479  178.759  859.309  132.114  227.602   22.221  217.404   17.193 10.19795 28.09629 
1 1 1   13   21   16 o  230.193   13.421  970.671  104.512  986.427  175.429  962.002  130.125  230.346   21.548  230.040   16.004 0.3069153 26.84102 
1 1 1   13   21   18 o   72.627   13.389  100.249   34.542  110.906   52.240   91.970   46.044   75.909   19.399   69.345   18.459 6.564224 26.77789 
1 1 1   13   21   20 o   92.696   22.547  170.597   73.162   0.0000   0.0000  170.597   73.162  ?   ?    92.696   22.547      ?      ? 
1 1 1   13   21   22 o  114.391   15.607  259.046   60.194  276.308   93.080  246.637   78.918  116.974   23.332  111.808   20.734 5.166534 31.21314 
1 1 1   13   21   24 f   70.406   13.238   94.652   32.280  116.094   55.141   83.473   39.815   75.719   20.222   65.093   17.089 10.62601 26.47557 
1 1 1   13   22    1 f  342.987   14.471  2127.59  167.375  2190.29  284.038  2094.24  207.164  345.357   23.270  340.618   17.208 4.738098 28.94102 
1 1 1   13   22    3 o  211.288   13.515  781.584   97.694  925.731  164.688  703.317  121.352  225.303   20.681  197.274   17.404 28.02840 27.02996 
1 1 1   13   22    5 o  159.665   14.680  451.699   80.518  525.576  133.885  409.841  100.779  169.154   22.394  150.175   18.987 18.97897 29.35954 
1 1 1   13   22    7 o  100.742   14.639  186.010   49.739  231.235   78.993  156.300   64.025  110.714   20.954   90.771   20.447 19.94366 29.27735 
1 1 1   13   22    9 o  131.857   13.276  310.375   60.543  349.166   98.239  286.620   76.877  138.053   20.133  125.660   17.309 12.39310 26.55111 
1 1 1   13   22   11 o  176.669   13.274  557.322   80.561  628.519  133.335  516.389  101.101  184.795   20.414  168.542   16.972 16.25381 26.54772 
1 1 1   13   22   13 o   66.414   13.724   83.351   34.219   76.361   51.723   88.791   45.633   64.411   20.324   68.416   18.449 -4.005051 27.44879 
1 1 1   13   22   15 o  171.036   12.558  517.901   74.114  635.864  122.106  449.093   93.256  185.535   18.620  156.537   16.856 28.99832 25.11629 
1 1 1   13   22   17 o  135.790   13.711  341.152   64.153  363.462  104.082  327.483   81.469  138.563   21.252  133.016   17.329 5.546585 27.42169 
1 1 1   13   22   19 o   44.582   11.729   29.198   24.824   37.426   36.005   21.742   34.272   47.537   16.966   41.627   16.200 5.910728 23.45811 
1 1 1   13   22   21 o  129.974   23.768  345.481  105.164   0.0000   0.0000  345.481  105.164  ?   ?   129.974   23.768      ?      ? 
1 1 1   13   23    0 o  159.693   17.222  472.833   95.441  470.361  123.820  476.453  149.812  159.911   21.907  159.474   26.579 0.4373016 34.44371 
1 1 1   13   23    2 o   55.381   15.192   41.053   36.322   47.352   40.002   11.472   86.691   52.819   17.942   57.943   24.522 -5.123680 30.38495 
1 1 1   13   23    4 o   69.623   15.918   78.555   56.771  153.460   67.933 -94.8811  103.370   89.557   21.691   49.689   23.304 39.86880 31.83679 
1 1 1   13   23    6 o  164.283   19.634  536.339  107.252  622.897  142.621  423.675  162.713  183.448   21.996  145.118   32.528 38.32954 39.26710 
1 1 1   13   23    8 o  189.617   13.212  645.429   85.745  713.082  142.770  607.258  107.241  196.518   20.555  182.717   16.606 13.80058 26.42451 
1 1 1   13   23   10 o  119.911   14.265  266.820   57.757  284.230   92.756  255.795   73.812  121.663   22.396  118.159   17.674 3.504143 28.52988 
1 1 1   13   23   12 o   49.022   10.935   42.753   22.128   24.201   32.402   58.967   30.291   42.087   15.910   55.957   15.007 -13.87062 21.87063 
1 1 1   13   23   14 o   61.706   13.261   70.827   31.452   83.388   47.149   60.755   42.218   65.977   19.114   57.434   18.387 8.543358 26.52259 
1 1 1   13   23   16 o   22.912   6.8551   1.1653   9.3646   2.5465   11.804  -1.1803   15.382   22.258   9.2066   23.565   10.159 -1.306316 13.71026 
1 1 1   13   23   18 o   34.117   9.2203   8.2942   17.307   31.318   24.598 -14.2792   24.356   42.091   14.071   26.144   11.919 15.94727 18.44069 
1 1 1   13   24    1 o   76.120   14.238  109.781   38.575  116.632   59.182  104.720   50.864   78.076   20.992   74.165   19.240 3.910835 28.47519 
1 1 1   13   24    3 o   84.865   13.843  137.390   40.279  138.302   62.286  136.734   52.807   84.812   20.911   84.918   18.145 -0.1065216 27.68555 
1 1 1   13   24    5 o  184.035   13.073  602.221   82.784  714.191  137.295  538.257  103.770  196.513   19.767  171.557   17.114 24.95578 26.14602 
1 1 1   13   24    7 f  103.142   17.384  193.330   59.533  158.360   71.975  269.079  105.930   90.025   22.642  116.260   26.384 -26.23457 34.76717 
1 1 1   13   24    9 o   46.878   13.709   23.004   29.929   31.575   32.074 -34.7262   83.244   44.606   16.003   49.150   22.262 -4.544235 27.41715 
1 1 1   13   24   11 o   98.363   18.787  210.989   75.592  301.474   96.470   67.050  121.672  123.786   22.893   72.941   29.796 50.84543 37.57466 
1 1 1   13   24   13 o   55.985   12.200   58.678   26.530   65.675   38.886   52.585   36.287   58.666   17.459   53.304   17.045 5.361702 24.39967 
1 1 1   13   24   15 o   80.283   15.051  128.204   42.918  143.409   66.875  117.557   55.964   83.939   22.200   76.627   20.329 7.311813 30.10178 
1 1 1   13   24   17 o   45.680   11.634   34.374   24.082   42.092   35.087   27.500   33.113   48.582   16.795   42.778   16.103 5.803875 23.26766 
1 1 1   13   25    0 o   71.601   13.055   97.599   33.064  104.555   50.033   92.206   44.053   73.753   19.057   69.450   17.850 4.302757 26.11098 
1 1 1   13   25    2 o   93.004   14.419  165.250   45.514  181.049   71.311  154.390   59.122   96.414   21.477   89.595   19.244 6.818909 28.83721 
1 1 1   13   25    4 o  186.087   13.673  627.451   86.926  723.860  146.389  574.942  108.035  195.805   21.153  176.370   17.331 19.43504 27.34591 
1 1 1   13   25    6 o  167.674   13.923  507.400   80.376  629.915  133.452  437.660  100.687  182.360   20.705  152.988   18.621 29.37183 27.84642 
1 1 1   13   25    8 o   70.727   14.180   93.051   37.818  134.624   58.119   62.523   49.804   82.685   20.086   58.769   20.020 23.91594 28.35937 
1 1 1   13   25   10 o  154.016   14.102  443.527   74.713  502.294  123.116  409.268   94.001  160.830   21.659  147.202   18.067 13.62753 28.20500 
1 1 1   13   25   12 o  102.134   23.197  214.386   81.828  214.386   81.828   0.0000   0.0000  102.134   23.197  ?   ?       ?      ? 
1 1 1   13   26    1 o   65.008   13.760   82.288   34.266   70.042   52.046   91.659   45.526   61.406   20.467   68.611   18.397 -7.204674 27.51946 
1 1 1   13   26    3 o   72.816   13.562  101.914   35.370  126.513   53.975   83.400   46.826   80.163   19.285   65.469   19.072 14.69445 27.12322 
1 1 1   13   26    5 o   56.727   12.695   60.902   28.478   58.562   42.517   62.806   38.352   56.130   18.489   57.324   17.402 -1.193893 25.39028 
1 1 1   13   26    7 f   66.492   13.460   87.765   33.241   80.523   50.363   93.356   44.247   64.161   20.026   68.823   17.989 -4.661873 26.91904 
1 1 1   13   26    9 o  118.221   15.348  262.148   64.129   0.0000   0.0000  262.148   64.129  ?   ?   118.221   15.348      ?      ? 
1 1 1   13   27    0 o   49.483   12.055   43.664   25.480   43.688   37.920   43.645   34.403   49.820   17.446   49.147   16.640 0.6729279 24.10931 
1 1 1   13   27    2 o   70.626   26.878   92.503   92.871   0.0000   0.0000   92.503   92.871  ?   ?    70.626   26.878      ?      ? 
1 1 1   14    0    0 f  755.458   16.958 10134.18  638.898 10134.18  638.898 10134.18  638.898  755.458   23.982  755.458   23.982 -0.000000 0.000000 
1 1 1   14    0    2 o  1300.26   25.325 30070.74  1643.10 30070.74  1643.10 30070.74  1643.10  1300.26   35.814  1300.26   35.814 -0.000000 0.000000 
1 1 1   14    0    4 o  548.828   14.106  5351.44  385.816  5351.44  385.816  5351.44  385.816  548.828   19.949  548.828   19.949 -0.000000 0.000000 
1 1 1   14    0    6 o  495.956   13.479  4372.11  333.027  4372.11  333.027  4372.11  333.027  495.956   19.062  495.956   19.062 -0.000000 0.000000 
1 1 1   14    0    8 o  295.250   11.732  1556.84  171.894  1556.84  171.894  1556.84  171.894  295.250   16.592  295.250   16.592 -0.000000 0.000000 
1 1 1   14    0   10 o  1151.60   32.716 23795.42  1876.31 23795.42  1876.31 23795.42  1876.31  1151.60   46.268  1151.60   46.268 -0.000000 0.000000 
1 1 1   14    0   12 o  451.907   13.199  3635.05  296.993  3635.05  296.993  3635.05  296.993  451.907   18.667  451.907   18.667 -0.000000 0.000000 
1 1 1   14    0   14 o  263.716   16.690  1263.62  215.953  1263.62  215.953  1263.62  215.953  263.716   23.604  263.716   23.604 -0.000000 0.000000 
1 1 1   14    0   16 o   38.987   14.271   39.344   35.866   39.344   35.866   39.344   35.866   38.987   20.182   38.987   20.182 -0.000000 0.000000 
1 1 1   14    0   18 o  496.018   13.510  4390.79  333.817  4390.79  333.817  4390.79  333.817  496.018   19.105  496.018   19.105 -0.000000 0.000000 
1 1 1   14    0   20 o  366.395   12.291  2401.19  223.946  2401.19  223.946  2401.19  223.946  366.395   17.382  366.395   17.382 -0.000000 0.000000 
1 1 1   14    0   22 o   52.512   18.100   72.601   55.951   72.601   55.951   72.601   55.951   52.512   25.597   52.512   25.597 -0.000000 0.000000 
1 1 1   14    0   24 o   45.284   16.910   53.112   51.119   53.112   51.119   53.112   51.119   45.284   23.914   45.284   23.914 -0.000000 0.000000 
1 1 1   14    0   26 o  225.858   11.708  922.263  130.547  922.263  130.547  922.263  130.547  225.858   16.558  225.858   16.558 -0.000000 0.000000 
1 1 1   14    0   28 o  220.308   11.644  878.678  126.579  878.678  126.579  878.678  126.579  220.308   16.467  220.308   16.467 -0.000000 0.000000 
1 1 1   14    0   30 o   82.114   16.215  145.412   57.585  145.412   57.585  145.412   57.585   82.114   22.932   82.114   22.932 -0.000000 0.000000 
1 1 1   14    0   32 o  149.064   12.259  412.930   88.113  412.930   88.113  412.930   88.113  149.064   17.336  149.064   17.336 -0.000000 0.000000 
1 1 1   14    0   34 o  138.303   12.173  358.326   80.638  358.326   80.638  358.326   80.638  138.303   17.216  138.303   17.216 -0.000000 0.000000 
1 1 1   14    0   36 o  ?   ?  -37.9865   8.5202 -37.9865   8.5202 -37.9865   8.5202  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   14    1    1 o  413.363   12.601  3025.84  184.094  2992.65  260.363  3059.03  260.332  411.091   17.919  415.635   17.721 -4.543579 25.20209 
1 1 1   14    1    3 o  1209.24   23.816 26039.72  1017.91 25974.16  1439.55 26105.27  1439.54  1207.71   33.724  1210.78   33.639 -3.067993 47.63282 
1 1 1   14    1    5 o  693.384   16.042  8529.50  393.058  8314.19  555.856  8744.83  555.882  684.598   22.972  702.170   22.399 -17.57184 32.08466 
1 1 1   14    1    7 o  783.464   17.171 10898.64  475.479 10888.56  672.455 10908.72  672.403  783.099   24.296  783.828   24.271 -0.7283936 34.34176 
1 1 1   14    1    9 f  928.919   19.316 15362.85  633.750 16024.88  896.333 14701.05  896.182  949.079   26.721  908.759   27.901 40.32019 38.63268 
1 1 1   14    1   11 o  714.427   32.801  9125.30  828.255  9125.30  828.255   0.0000   0.0000  714.427   32.801  ?   ?       ?      ? 
1 1 1   14    1   13 o  339.452   14.753  2033.67  167.458  2002.91  205.135  2095.12  289.930  335.955   17.276  342.948   23.919 -6.993256 29.50552 
1 1 1   14    1   15 o  113.289   14.319  237.387   52.347  219.562   90.328  246.400   64.232  108.767   24.128  117.811   15.426 -9.044296 28.63773 
1 1 1   14    1   17 o   61.329   13.832   67.018   33.857   78.566   42.109   45.900   56.943   65.345   17.765   57.313   21.206 8.032196 27.66434 
1 1 1   14    1   19 o  227.063   13.867  920.215  105.345  930.794  181.251  914.818  129.456  227.587   22.533  226.539   16.168 1.047714 27.73320 
1 1 1   14    1   21 o  187.278   13.686  631.900   85.686  619.779  146.484  638.205  105.646  185.452   22.348  189.105   15.806 -3.653076 27.37288 
1 1 1   14    1   23 o  271.324   14.075  1294.20  128.921  1425.87  221.813  1227.03  158.427  280.884   22.343  261.764   17.124 19.11975 28.15011 
1 1 1   14    1   25 o   54.325   12.549   51.038   28.263   63.537   37.850   35.286   42.490   58.937   17.141   49.713   18.333 9.224613 25.09838 
1 1 1   14    1   27 o  113.187   14.545  228.753   54.265  213.632   66.582  258.665   93.647  109.063   17.273  117.312   23.406 -8.248894 29.08936 
1 1 1   14    1   29 o  193.063   13.701  651.404   89.644  755.396  154.277  598.395  110.147  203.799   21.418  182.328   17.092 21.47049 27.40210 
1 1 1   14    1   31 o   28.551   8.2850 -28.7522   18.493   24.252   24.158 -103.7803   28.742   39.348   13.913   17.754   9.0001 21.59397 16.57002 
1 1 1   14    1   33 o   78.869   15.909  123.183   45.906  139.776   55.001   85.081   83.345   85.992   18.635   71.746   25.791 14.24546 31.81866 
1 1 1   14    1   35 o   95.734   12.900  172.711   42.546  195.919   59.522  148.466   60.838  103.599   16.256   87.870   20.034 15.72810 25.79931 
1 1 1   14    1   37 f   65.340   14.557   79.940   37.147   93.300   57.849   70.566   48.457   69.377   21.431   61.303   19.707 8.074318 29.11446 
1 1 1   14    2    0 o  890.902   18.808 14089.87  592.201 13929.96  837.515 14249.77  837.483  885.823   26.750  895.980   26.446 -10.15662 37.61581 
1 1 1   14    2    2 o  143.481   10.682  364.387   54.157  375.859   76.829  353.056   76.353  145.729   14.916  141.234   15.296 4.495010 21.36481 
1 1 1   14    2    4 o  549.111   14.007  5343.34  271.849  5374.21  384.522  5312.50  384.383  550.700   19.755  547.521   19.863 3.179260 28.01450 
1 1 1   14    2    6 o  414.400   12.605  3044.42  184.426  2885.21  260.838  3203.58  260.797  403.532   18.288  425.269   17.351 -21.73666 25.20932 
1 1 1   14    2    8 o  136.057   13.201  326.770   60.168  332.418  103.498  323.887   73.948  136.877   21.394  135.238   15.471 1.639053 26.40125 
1 1 1   14    2   10 o  505.440   16.801  4518.65  283.605  4474.69  347.392  4606.48  491.080  502.231   19.570  508.650   27.316 -6.419189 33.60276 
1 1 1   14    2   12 o  428.681   18.069  3274.77  273.679  3171.57  386.267  3378.80  387.819  421.849   25.907  435.513   25.195 -13.66315 36.13750 
1 1 1   14    2   14 o  352.749   11.957  2210.44  148.987  2126.48  210.836  2294.19  210.564  346.022   17.239  359.476   16.573 -13.45389 23.91340 
1 1 1   14    2   16 o  182.244   10.850  590.231   69.885  585.342   99.237  595.040   98.431  181.488   15.471  183.001   15.218 -1.513763 21.70089 
1 1 1   14    2   18 o  327.079   11.834  1907.03  136.775  1952.38  193.504  1861.75  193.353  330.997   16.540  323.160   16.928 7.837036 23.66751 
1 1 1   14    2   20 o  130.531   16.736  315.237   74.894  362.166  104.795  266.247  107.073  142.023   20.877  119.039   26.163 22.98383 33.47112 
1 1 1   14    2   22 o  244.254   13.914  1064.26  114.138  1096.57  195.656  1047.59  140.527  246.437   22.463  242.071   16.425 4.365555 27.82723 
1 1 1   14    2   24 o  362.994   12.322  2366.38  157.572  2138.46  221.989  2597.83  223.704  345.112   18.199  380.876   16.618 -35.76401 24.64453 
1 1 1   14    2   26 o  198.061   14.145  703.194   92.691  694.599  112.539  721.321  163.442  196.901   16.171  199.222   23.212 -2.320389 28.28921 
1 1 1   14    2   28 o  150.834   16.914  455.807   77.101  506.063   92.895  344.537  138.224  167.997   15.645  133.672   29.994 34.32518 33.82900 
1 1 1   14    2   30 o  140.573   12.194  363.971   59.165  432.509   81.416  287.275   86.125  155.266   14.836  125.880   19.358 29.38622 24.38892 
1 1 1   14    2   32 o   92.802   13.871  163.480   43.864  171.156   58.985  153.985   65.607   95.632   18.114   89.972   21.012 5.659721 27.74190 
1 1 1   14    2   34 o  159.998   11.697  464.210   66.034  436.674   90.273  495.900   96.844  154.928   16.486  165.068   16.599 -10.13988 23.39490 
1 1 1   14    2   36 o   92.486   13.459  161.760   42.348  135.912   56.237  195.612   64.359   83.797   19.375  101.176   18.686 -17.37861 26.91744 
1 1 1   14    2   38 o   36.741   12.297 -12.0292   4.4920 -12.3506   4.5002   76.363   74.631   7.8325   3.9154   65.650   24.280 -57.81726 24.59397 
1 1 1   14    3    1 o  918.638   19.275 14990.72  625.654 14560.49  884.801 15420.96  884.817  905.388   27.650  931.889   26.864 -26.50159 38.55095 
1 1 1   14    3    3 o  630.912   14.810  7056.19  330.238  6999.72  467.093  7112.63  466.962  628.380   21.031  633.445   20.857 -5.064148 29.61960 
1 1 1   14    3    5 o  325.135   11.950  1872.48  137.293  1919.15  194.345  1825.99  193.980  329.188   16.704  321.082   17.093 8.105865 23.89944 
1 1 1   14    3    7 o  532.234   13.821  5031.28  259.270  4598.35  366.622  5464.40  366.704  509.215   20.370  555.253   18.686 -46.03815 27.64234 
1 1 1   14    3    9 o  747.676   23.922  9991.14  632.029  9757.42  894.122 10224.54  893.527  738.835   34.240  756.517   33.417 -17.68201 47.84405 
1 1 1   14    3   11 o  397.562   15.224  2789.64  202.323  2751.29  247.826  2866.26  350.342  393.835   17.804  401.290   24.701 -7.455170 30.44851 
1 1 1   14    3   13 f  375.899   17.549  2508.86  233.151   0.0000   0.0000  2508.86  233.151  ?   ?   375.899   17.549      ?      ? 
1 1 1   14    3   15 o  317.980   14.589  1796.22  154.788  1782.84  189.567  1822.99  268.127  316.669   16.937  319.290   23.759 -2.620636 29.17823 
1 1 1   14    3   17 o  537.570   17.296  5177.58  310.194  5240.79  536.650  5145.86  380.128  538.561   28.193  536.580   20.044 1.980408 34.59150 
1 1 1   14    3   19 o   93.056   14.872  169.523   47.001  195.621   57.904  119.117   80.472  104.770   15.637   81.343   25.301 23.42631 29.74350 
1 1 1   14    3   21 o  213.481   14.482  833.442  101.649  860.389  124.162  778.672  177.010  219.505   16.004  207.456   24.141 12.04828 28.96375 
1 1 1   14    3   23 o   86.016   15.040  131.243   43.547  114.428   53.207  165.359   75.787   78.268   19.345   93.765   23.034 -15.49726 30.07991 
1 1 1   14    3   25 o   87.437   15.681  147.036   47.554  124.468   79.948  159.392   59.156   82.327   25.155   92.546   18.728 -10.21878 31.36102 
1 1 1   14    3   27 o  167.057   15.773  500.024   93.129  500.024   93.129   0.0000   0.0000  167.057   15.773  ?   ?       ?      ? 
1 1 1   14    3   29 o  146.060   14.249  384.313   70.975  397.116  117.602  376.978   89.015  147.484   22.560  144.635   17.413 2.848785 28.49875 
1 1 1   14    3   31 o   72.759   12.683  100.249   38.788  168.103   51.311   9.7691   59.251   96.698   15.013   48.820   20.445 47.87809 25.36528 
1 1 1   14    3   33 o   64.363   13.020   76.224   35.325  122.592   47.092   16.559   53.419   80.727   17.040   47.999   19.690 32.72835 26.03966 
1 1 1   14    3   35 f   34.508   10.149   4.5988   18.496   0.8028   21.696   14.695   35.384   28.787   12.229   40.230   16.201 -11.44322 20.29819 
1 1 1   14    3   37 o  116.966   29.047  290.168  119.535   0.0000   0.0000  290.168  119.535  ?   ?   116.966   29.047      ?      ? 
1 1 1   14    4    0 o  436.954   13.110  3382.00  202.466  3387.07  286.426  3376.93  286.233  437.282   18.532  436.626   18.548 0.6557617 26.21957 
1 1 1   14    4    2 o  666.579   19.947  8077.69  437.424  8424.79  535.790  7383.92  757.478  689.277   21.993  643.881   33.285 45.39587 39.89426 
1 1 1   14    4    4 o  136.021   10.616  327.748   50.951  351.486   72.373  304.422   71.743  140.915   14.531  131.127   15.480 9.787567 21.23164 
1 1 1   14    4    6 o  1335.02   25.440 31843.86  1199.82 30744.37  1696.81 32943.36  1696.81  1311.71   36.599  1358.32   35.344 -46.60339 50.87914 
1 1 1   14    4    8 o  502.402   17.947  4688.50  292.508  3954.16  507.117  5054.63  358.079  470.919   30.468  533.884   18.976 -62.96451 35.89412 
1 1 1   14    4   10 o  436.670   12.938  3384.54  199.486  3211.22  282.032  3558.06  282.201  425.434   18.756  447.906   17.826 -22.47131 25.87581 
1 1 1   14    4   12 o  238.997   14.130  1031.85  111.784  1065.11  137.255  966.346  192.643  245.061   15.847  232.933   23.399 12.12839 28.26019 
1 1 1   14    4   14 o  310.125   14.282  1745.01  146.666  1618.60  251.825  1809.90  180.425  301.014   23.670  319.236   15.991 -18.22168 28.56483 
1 1 1   14    4   16 o  395.031   12.164  2788.73  168.863  2443.73  238.462  3135.74  239.155  370.254   18.222  419.808   16.118 -49.55405 24.32760 
1 1 1   14    4   18 o   87.383   10.980  137.880   33.167  126.663   45.835  150.208   48.053   82.902   16.224   91.864   14.800 -8.962181 21.96008 
1 1 1   14    4   20 o  106.126   14.929  198.796   50.585  181.852   60.420  238.509   92.501   99.366   17.860  112.886   23.927 -13.51946 29.85796 
1 1 1   14    4   22 o  168.115   10.806  504.642   64.185  503.265   89.519  506.099   92.079  167.902   15.085  168.329   15.477 -0.4274750 21.61209 
1 1 1   14    4   24 o   33.439   8.9474   7.2016   17.455   29.616   21.280 -38.8945   30.517   41.124   13.042   25.754   12.252 15.36996 17.89474 
1 1 1   14    4   26 o  138.551   11.571  342.475   56.523  314.652   77.037  374.920   83.189  132.473   16.453  144.627   16.274 -12.15387 23.14188 
1 1 1   14    4   28 o  186.432   17.061  625.319  112.422   0.0000   0.0000  625.319  112.422  ?   ?   186.432   17.061      ?      ? 
1 1 1   14    4   30 o  240.089   17.717  1074.90  148.587  1216.38  206.040  921.585  214.482  257.671   22.624  222.507   27.273 35.16412 35.43480 
1 1 1   14    4   32 o  149.356   18.908  433.354   95.755  495.249  129.908  359.720  141.694  163.792   22.440  134.919   30.438 28.87257 37.81561 
1 1 1   14    4   34 o   88.228   17.840  152.291   58.947  174.115   81.536  128.396   85.319   94.352   24.302   82.104   26.124 12.24734 35.67949 
1 1 1   14    5    1 o  436.197   13.056  3371.81  201.193  3258.11  284.589  3485.41  284.470  428.826   18.777  443.569   18.145 -14.74377 26.11128 
1 1 1   14    5    3 o  264.562   11.368  1239.44  106.301  1237.15  150.656  1241.70  150.010  264.317   16.126  264.806   16.028 -0.4894714 22.73656 
1 1 1   14    5    5 o  582.318   14.694  6018.95  302.060  6360.58  427.232  5677.50  427.122  598.912   20.183  565.724   21.361 33.18799 29.38791 
1 1 1   14    5    7 o  901.714   23.285 14305.61  704.122 13862.13  862.255 15193.30  1219.90  882.422   27.646  921.006   37.475 -38.58368 46.56931 
1 1 1   14    5    9 o  482.244   15.057  3904.42  246.413  3382.04  301.551  4954.21  427.484  436.546   19.544  527.943   22.909 -91.39713 30.11317 
1 1 1   14    5   11 o  365.815   15.883  2599.48  182.724  1849.86  315.560  2977.61  224.121  321.831   27.742  409.799   15.474 -87.96841 31.76531 
1 1 1   14    5   13 o  156.699   15.424  440.216   84.601  369.546  119.380  511.516  119.910  143.886   23.474  169.513   20.014 -25.62773 30.84811 
1 1 1   14    5   15 o   68.756   11.992   87.230   28.953   81.551   39.962   93.506   42.007   66.434   16.961   71.077   16.958 -4.642982 23.98420 
1 1 1   14    5   17 o  175.080   10.940  550.716   66.336  419.906   92.718  687.895   94.948  153.442   17.096  196.719   13.656 -43.27705 21.88058 
1 1 1   14    5   19 o  145.242   11.098  376.275   56.947  378.460   79.561  373.979   81.547  145.695   15.450  144.789   15.935 0.9055481 22.19540 
1 1 1   14    5   21 o  109.098   16.440  212.760   60.456  170.819   76.716  281.487   98.204   95.370   23.021  122.826   23.477 -27.45647 32.88086 
1 1 1   14    5   23 o  145.563   15.886  377.326   81.034  334.813  106.541  435.675  124.816  136.041   22.158  155.085   22.771 -19.04353 31.77236 
1 1 1   14    5   25 o  164.561   16.515  491.177   95.741  478.992  129.619  505.807  142.028  162.471   22.572  166.651   24.113 -4.179092 33.02910 
1 1 1   14    5   29 o  232.344   23.119  988.718  189.851  988.718  189.851   0.0000   0.0000  232.344   23.119  ?   ?       ?      ? 
1 1 1   14    5   31 o   62.009   15.324   55.550   48.563  108.429   59.290 -52.2485   84.654   75.813   21.264   48.205   22.070 27.60810 30.64741 
1 1 1   14    5   33 o   42.441   15.199   28.011   28.917   28.011   28.917   0.0000   0.0000   42.441   15.199  ?   ?       ?      ? 
1 1 1   14    5   35 o  118.921   14.285  253.836   54.218  231.698   64.400  307.718  100.470  112.401   16.211  125.442   23.525 -13.04058 28.56934 
1 1 1   14    5   37 o   57.222   18.928   60.758   44.544   60.758   44.544   0.0000   0.0000   57.222   18.928  ?   ?       ?      ? 
1 1 1   14    6    0 o  512.799   14.220  4661.67  257.723  4700.93  364.470  4622.40  364.480  514.965   20.025  510.632   20.195 4.332794 28.43989 
1 1 1   14    6    2 o  450.252   13.362  3595.46  212.411  3790.28  300.422  3400.71  300.368  462.492   18.378  438.012   19.402 24.47961 26.72457 
1 1 1   14    6    4 o  438.207   15.554  3354.25  228.887  3577.98  395.988  3242.00  280.489  448.742   24.967  427.672   18.556 21.07025 31.10746 
1 1 1   14    6    6 f  625.112   14.927  6954.88  328.405  6218.53  464.376  7691.60  464.493  591.776   22.202  658.448   19.959 -66.67151 29.85447 
1 1 1   14    6    8 o  436.453   16.226  3354.00  236.911  3288.33  290.031  3485.68  410.699  430.490   19.062  442.417   26.265 -11.92661 32.45270 
1 1 1   14    6   10 o  487.814   13.432  4243.22  230.132  3695.73  325.294  4791.80  325.617  456.029   20.182  519.598   17.730 -63.56937 26.86411 
1 1 1   14    6   12 o  383.984   15.175  2687.76  192.090  2452.24  331.013  2807.35  235.869  370.400   25.285  397.569   16.786 -27.16946 30.34904 
1 1 1   14    6   14 f  281.727   14.378  1472.82  132.291  1259.61  227.409  1581.88  162.643  265.116   24.269  298.339   15.424 -33.22290 28.75576 
1 1 1   14    6   16 o  274.556   14.298  1475.49  123.509  1032.22  211.462  1705.00  152.161  239.411   24.990  309.700   13.901 -70.28906 28.59613 
1 1 1   14    6   18 o  233.041   15.139  975.514  123.714  821.291  171.486  1142.89  178.650  213.596   22.715  252.485   20.019 -38.88936 30.27776 
1 1 1   14    6   20 o  174.853   15.622  551.635   96.501  564.354  135.604  538.585  137.358  176.961   21.681  172.745   22.497 4.215866 31.24380 
1 1 1   14    6   22 o  139.081   15.339  349.189   75.372  337.035  105.062  362.078  108.191  136.579   21.764  141.583   21.620 -5.003601 30.67749 
1 1 1   14    6   24 o   72.280   15.465   95.332   43.687  117.200   60.107   70.843   63.608   79.149   21.101   65.412   22.613 13.73749 30.92913 
1 1 1   14    6   26 o   84.817   15.381  136.437   42.760  140.673   49.791  124.535   83.462   87.123   16.778   82.512   25.784 4.610336 30.76247 
1 1 1   14    6   28 o  204.885   22.664  766.754  164.123  766.754  164.123   0.0000   0.0000  204.885   22.664  ?   ?       ?      ? 
1 1 1   14    6   30 o  117.066   14.274  264.902   54.671  298.393   69.965  212.387   87.610  128.778   15.372  105.354   24.057 23.42393 28.54836 
1 1 1   14    6   32 o  184.281   11.105  597.744   70.976  461.023   92.909  789.351  109.989  159.440   16.487  209.123   14.881 -49.68295 22.20945 
1 1 1   14    6   34 o   69.482   14.240   81.320   32.578   70.819   37.115  116.564   67.994   61.205   16.695   77.758   23.074 -16.55329 28.48041 
1 1 1   14    6   36 o   28.100   11.654 -11.7060   4.2778 -11.5607   4.2813 -99.8462  105.444   7.6884   3.8397   48.512   22.990 -40.82336 23.30862 
1 1 1   14    6   38 o   45.352   13.917   19.106   29.729   29.570   30.780 -126.2093  114.701   42.845   15.634   47.859   23.029 -5.013756 27.83466 
1 1 1   14    7    1 o  642.378   20.913  7744.95  433.077  6303.83  750.506  8464.38  530.269  594.057   35.744  690.700   21.721 -96.64307 41.82668 
1 1 1   14    7    3 o  129.905   15.734  327.140   63.565  251.208  111.468  363.729   77.379  116.501   27.511  143.308   15.277 -26.80736 31.46770 
1 1 1   14    7    5 o  349.637   16.764  2166.41  207.168   0.0000   0.0000  2166.41  207.168  ?   ?   349.637   16.764      ?      ? 
1 1 1   14    7    7 o  423.666   18.163  3213.77  269.619  2728.89  381.015  3700.09  381.583  391.240   27.554  456.093   23.671 -64.85385 36.32515 
1 1 1   14    7    9 o  463.930   12.993  3825.42  212.723  3583.20  300.788  4067.79  300.884  449.153   18.947  478.706   17.783 -29.55295 25.98542 
1 1 1   14    7   11 o  579.158   18.008  6106.95  344.014  5679.16  595.148  6321.60  421.578  562.368   29.942  595.948   20.015 -33.57965 36.01564 
1 1 1   14    7   13 o  386.613   24.910  2680.35  340.391   0.0000   0.0000  2680.35  340.391  ?   ?   386.613   24.910      ?      ? 
1 1 1   14    7   15 o  336.368   16.575  2059.17  192.743  1570.72  272.036  2551.54  273.126  295.128   26.079  377.607   20.465 -82.47852 33.15010 
1 1 1   14    7   17 o  301.194   16.387  1640.36  173.212  1417.06  244.523  1865.26  245.398  280.153   24.695  322.235   21.547 -42.08200 32.77316 
1 1 1   14    7   19 o  183.113   15.418  604.404   99.660  567.015  140.300  642.483  141.589  177.299   22.389  188.927   21.204 -11.62793 30.83607 
1 1 1   14    7   21 o  127.163   12.595  275.986   54.219  244.926   66.255  338.954   94.336  117.032   16.018  137.294   19.440 -20.26228 25.18914 
1 1 1   14    7   23 o  130.383   16.807  317.998   74.808  248.172  106.000  387.283  105.589  114.269   26.723  146.496   20.393 -32.22692 33.61489 
1 1 1   14    7   25 o   70.981   14.434   97.227   36.590  108.448   42.591   65.617   71.488   76.374   16.276   65.588   23.842 10.78658 28.86755 
1 1 1   14    7   27 o   99.775   13.536  186.064   45.298  195.217   57.870  171.585   72.786  104.291   15.700   95.259   22.054 9.032379 27.07105 
1 1 1   14    7   29 o  195.452   14.763  684.710   99.953  516.573  133.026  902.713  151.473  167.899   22.416  223.006   19.218 -55.10667 29.52645 
1 1 1   14    7   31 o   94.625   13.871  154.780   45.949   86.384   58.585  264.102   74.068   68.642   21.627  120.608   17.375 -51.96534 27.74215 
1 1 1   14    7   33 o  138.498   14.863  363.644   70.288  316.993  101.459  406.694   97.465  128.277   23.233  148.719   18.542 -20.44241 29.72561 
1 1 1   14    7   35 o   71.178   18.318   73.083   43.819   65.706   46.886  124.007  123.192   59.644   19.404   82.712   31.075 -23.06774 36.63560 
1 1 1   14    7   37 o  108.917   20.869  260.147   77.105  259.119   90.311  262.912  148.092  112.335   23.501  105.499   34.493 6.835510 41.73859 
1 1 1   14    8    0 o  598.561   18.382  6435.96  364.341  6184.88  631.813  6561.06  445.958  589.040   30.348  608.083   20.750 -19.04333 36.76305 
1 1 1   14    8    2 o  402.499   16.344  3011.82  213.124  2523.50  369.688  3254.90  260.831  376.457   27.784  428.541   17.221 -52.08383 32.68813 
1 1 1   14    8    4 o  199.226   13.186  705.845   86.985  698.821  152.090  709.259  106.040  198.357   21.694  200.095   14.994 -1.737671 26.37110 
1 1 1   14    8    6 o  423.665   25.551  3197.69  382.609   0.0000   0.0000  3197.69  382.609  ?   ?   423.665   25.551      ?      ? 
1 1 1   14    8    8 o  349.505   24.245  2177.58  299.498   0.0000   0.0000  2177.58  299.498  ?   ?   349.505   24.245      ?      ? 
1 1 1   14    8   10 o  494.556   27.211  4382.51  475.639   0.0000   0.0000  4382.51  475.639  ?   ?   494.556   27.211      ?      ? 
1 1 1   14    8   12 o  209.966   22.126  788.330  164.203   0.0000   0.0000  788.330  164.203  ?   ?   209.966   22.126      ?      ? 
1 1 1   14    8   14 o  204.406   15.674  749.037  113.208  774.536  161.679  724.510  158.566  207.839   22.009  200.973   22.323 6.865662 31.34846 
1 1 1   14    8   16 o  189.568   16.450  651.566  109.350  569.260  156.574  729.937  152.784  177.534   24.953  201.602   21.442 -24.06863 32.89982 
1 1 1   14    8   18 o   60.679   13.555   58.013   36.716   5.3879   53.148  106.057   50.782   45.896   19.299   75.463   19.040 -29.56757 27.11069 
1 1 1   14    8   20 o  177.911   13.905  590.346   80.812  510.110  139.117  631.208   99.280  167.792   23.458  188.031   14.939 -20.23889 27.81085 
1 1 1   14    8   22 o  126.806   14.795  305.248   60.425  263.661  101.500  328.077   75.203  118.197   25.073  135.414   15.713 -17.21683 29.58975 
1 1 1   14    8   24 o  168.681   14.048  513.468   80.052  513.901  134.497  513.230   99.619  168.212   22.622  169.149   16.663 -0.9368744 28.09662 
1 1 1   14    8   26 o   39.929   11.372   1.4420   25.458 -20.0225   32.341   36.412   41.280   30.242   13.767   49.616   18.105 -19.37440 22.74456 
1 1 1   14    8   28 o   98.724   15.229  185.220   51.623  168.758   74.939  200.086   71.214   94.193   22.763  103.255   20.237 -9.061569 30.45783 
1 1 1   14    8   30 o   70.173   15.607   85.737   47.682  138.069   64.576   23.002   70.704   85.096   21.471   55.250   22.658 29.84548 31.21498 
1 1 1   14    8   32 o   42.192   12.536   13.846   26.789   23.898   28.987 -44.9974   70.135   40.832   15.126   43.553   19.995 -2.721607 25.07155 
1 1 1   14    8   34 o   68.926   17.929   62.783   40.880   55.006   43.541  120.636  118.755   55.638   18.720   82.214   30.584 -26.57578 35.85842 
1 1 1   14    8   36 f  149.549   22.483  439.263  118.837  439.263  118.837   0.0000   0.0000  149.549   22.483  ?   ?       ?      ? 
1 1 1   14    9    1 o  998.361   29.268 17776.75  1032.76   0.0000   0.0000 17776.75  1032.76  ?   ?   998.361   29.268      ?      ? 
1 1 1   14    9    3 o  659.796   31.279  7783.23  729.429   0.0000   0.0000  7783.23  729.429  ?   ?   659.796   31.279      ?      ? 
1 1 1   14    9    5 o  703.279   32.529  8866.26  808.573   0.0000   0.0000  8866.26  808.573  ?   ?   703.279   32.529      ?      ? 
1 1 1   14    9    9 o  136.275   17.765  351.993   81.516  217.746  116.577  480.435  114.028  108.308   29.606  164.241   19.643 -55.93317 35.52999 
1 1 1   14    9   11 o  232.090   22.502  964.104  184.583  964.104  184.583   0.0000   0.0000  232.090   22.502  ?   ?       ?      ? 
1 1 1   14    9   13 o  224.250   14.464  913.198  107.212  862.045  185.486  938.861  131.381  218.933   23.971  229.567   16.192 -10.63408 28.92717 
1 1 1   14    9   15 o  130.475   21.670  305.880   99.934   0.0000   0.0000  305.880   99.934  ?   ?   130.475   21.670      ?      ? 
1 1 1   14    9   17 o  125.549   14.925  292.963   60.585  274.212  103.520  302.731   74.717  120.915   25.047  130.183   16.239 -9.268341 29.85004 
1 1 1   14    9   19 o  134.889   14.900  351.905   62.903  283.308  108.433  386.699   77.225  122.594   25.839  147.185   14.845 -24.59102 29.80003 
1 1 1   14    9   21 o  416.551   14.877  3057.64  208.873  3388.28  360.958  2891.20  256.107  431.880   23.647  401.222   18.060 30.65811 29.75458 
1 1 1   14    9   23 o  127.287   14.997  302.829   63.208  277.988  102.155  318.238   80.459  121.422   24.645  133.152   17.096 -11.72939 29.99474 
1 1 1   14    9   25 o  171.638   13.604  564.080   77.083  419.370  123.044  657.559   98.893  151.624   22.960  191.652   14.599 -40.02713 27.20854 
1 1 1   14    9   27 o  151.103   13.790  422.650   71.238  375.306  112.270  454.559   92.170  143.305   22.166  158.901   16.411 -15.59566 27.57997 
1 1 1   14    9   29 o   55.190   13.634   45.850   30.879   36.882   37.178   65.796   55.444   48.413   17.244   61.967   21.123 -13.55357 27.26835 
1 1 1   14    9   31 o   44.922   12.878   20.252   28.739   27.454   32.509  -5.5062   61.480   43.440   16.033   46.405   20.158 -2.965874 25.75630 
1 1 1   14    9   33 o   63.422   15.584   70.444   40.917   73.481   49.139   63.578   73.889   62.825   19.808   64.020   24.063 -1.194756 31.16742 
1 1 1   14    9   35 o  170.242   22.604  565.624  136.013  565.624  136.013   0.0000   0.0000  170.242   22.604  ?   ?       ?      ? 
1 1 1   14   10    0 o  478.645   26.718  4084.85  452.007   0.0000   0.0000  4084.85  452.007  ?   ?   478.645   26.718      ?      ? 
1 1 1   14   10    2 o  543.997   28.293  5286.89  543.991   0.0000   0.0000  5286.89  543.991  ?   ?   543.997   28.293      ?      ? 
1 1 1   14   10    4 o  495.678   27.281  4392.16  477.941  4392.16  477.941   0.0000   0.0000  495.678   27.281  ?   ?       ?      ? 
1 1 1   14   10    6 o  289.682   23.339  1497.70  238.956  1497.70  238.956   0.0000   0.0000  289.682   23.339  ?   ?       ?      ? 
1 1 1   14   10    8 o  240.766   14.329  1055.74  113.520  971.588  196.768  1097.73  138.982  232.995   23.894  248.538   15.821 -15.54300 28.65724 
1 1 1   14   10   10 o  237.477   14.874  1051.80  114.689  891.793  198.643  1131.81  140.466  222.729   25.233  252.225   15.757 -29.49564 29.74883 
1 1 1   14   10   12 o  176.427   13.544  556.854   79.798  555.438  137.358  557.575   98.039  175.920   22.091  176.933   15.677 -1.013000 27.08866 
1 1 1   14   10   14 o  249.277   14.519  1133.43  119.584  1060.89  206.497  1170.03  146.684  242.467   24.096  256.088   16.206 -13.62077 29.03854 
1 1 1   14   10   16 o  200.081   22.979  722.918  162.503   0.0000   0.0000  722.918  162.503  ?   ?   200.081   22.979      ?      ? 
1 1 1   14   10   18 o   65.965   13.887   73.778   33.213   99.605   58.302   61.370   40.411   73.501   21.244   58.430   17.889 15.07122 27.77302 
1 1 1   14   10   20 o  106.013   14.764  213.151   51.847  184.343   85.762  229.743   65.087   98.753   24.649  113.274   16.257 -14.52086 29.52715 
1 1 1   14   10   22 o  212.496   13.754  827.265   97.583  771.947  164.823  857.120  121.086  206.195   22.616  218.797   15.658 -12.60243 27.50748 
1 1 1   14   10   24 o  180.002   14.080  580.212   86.892  611.561  142.777  561.770  109.507  183.350   22.032  176.654   17.539 6.695389 28.16070 
1 1 1   14   10   26 o  225.758   13.543  976.926  100.615  743.300  163.080  1120.51  127.848  201.499   22.899  250.018   14.468 -48.51907 27.08622 
1 1 1   14   10   28 o  168.741   13.809  529.345   79.577  471.718  125.844  567.739  102.720  160.180   22.228  177.303   16.392 -17.12363 27.61851 
1 1 1   14   10   30 o   65.775   14.732   77.128   37.447   69.835   47.231   89.472   61.446   61.827   19.409   69.724   22.168 -7.896957 29.46378 
1 1 1   14   10   32 o   45.656   12.465   17.053   21.638   10.527   23.454   54.352   56.070   33.220   13.255   58.093   21.115 -24.87298 24.93092 
1 1 1   14   10   34 o   83.353   20.269  135.961   61.280  141.446   66.325  103.967  160.185   84.082   22.047   82.624   34.019 1.457779 40.53864 
1 1 1   14   10   36 o   82.640   20.683  109.868   52.091   97.216   54.988  220.510  162.615   69.411   20.785   95.869   35.764 -26.45774 41.36564 
1 1 1   14   11    1 o  220.530   22.584  866.596  176.033  866.596  176.033   0.0000   0.0000  220.530   22.584  ?   ?       ?      ? 
1 1 1   14   11    3 o  482.959   27.028  4177.04  461.359  4177.04  461.359   0.0000   0.0000  482.959   27.028  ?   ?       ?      ? 
1 1 1   14   11    5 o  482.144   19.075  4175.69  324.533  3901.01  458.570  4451.30  459.350  466.005   27.842  498.284   26.082 -32.27884 38.15033 
1 1 1   14   11    7 o  362.233   15.270  2369.12  183.234  2277.29  317.307  2415.07  224.437  356.158   25.207  368.309   17.241 -12.15109 30.53903 
1 1 1   14   11    9 o  129.588   17.305  355.012   70.300  192.604  121.251  437.253   86.283  102.435   30.908  156.741   15.575 -54.30622 34.61046 
1 1 1   14   11   11 o  313.374   14.542  1737.86  152.605  1829.34  264.565  1692.24  186.814  318.814   23.479  307.935   17.165 10.87930 29.08392 
1 1 1   14   11   13 o   62.777   13.428   72.738   32.630   50.084   53.807   85.915   41.037   57.515   20.718   68.038   17.088 -10.52300 26.85566 
1 1 1   14   11   15 o  288.035   23.461  1500.26  238.839  1500.26  238.839   0.0000   0.0000  288.035   23.461  ?   ?       ?      ? 
1 1 1   14   11   17 o  241.527   13.373  1038.84  108.332  1077.39  186.515  1019.21  133.081  244.277   21.603  238.777   15.769 5.500336 26.74591 
1 1 1   14   11   19 o  105.612   15.842  207.083   58.554  257.144   83.472  158.584   82.159  119.459   19.770   91.765   24.759 27.69364 31.68382 
1 1 1   14   11   21 o  129.419   13.856  325.732   57.311  241.543   92.149  378.839   73.188  113.213   23.785  145.625   14.219 -32.41268 27.71144 
1 1 1   14   11   23 o   76.874   16.298  110.369   49.884  144.685   65.771   63.897   76.540   87.578   21.424   66.171   24.566 21.40691 32.59577 
1 1 1   14   11   25 o  231.598   13.623  1046.92  101.864  743.104  166.740  1227.83  128.666  201.327   23.432  261.868   13.901 -60.54085 27.24563 
1 1 1   14   11   27 o  214.992   13.460  886.750   95.653  677.508  153.733  1018.93  122.186  191.875   22.669  238.109   14.519 -46.23441 26.91958 
1 1 1   14   11   29 o   67.947   17.212   80.018   49.987   99.122   55.635  -0.0063  113.867   72.411   20.700   63.483   27.504 8.928719 34.42340 
1 1 1   14   11   31 o   84.156   18.281  110.177   48.764   91.255   53.770  197.825  115.728   69.294   20.509   99.017   30.267 -29.72234 36.56113 
1 1 1   14   11   33 o  106.877   20.516  265.391   84.412  327.351  101.446  125.936  152.193  128.472   23.195   85.281   33.848 43.19088 41.03292 
1 1 1   14   11   35 o  101.400   20.725  231.194   74.229  237.361   86.085  213.317  146.570  107.140   23.389   95.661   34.222 11.47817 41.45079 
1 1 1   14   12    0 o  264.425   16.178  1249.08  151.057  1180.23  212.611  1319.26  214.657  257.000   23.406  271.849   22.341 -14.84830 32.35674 
1 1 1   14   12    2 o  319.215   16.921  1827.72  190.258  2000.96  269.121  1654.62  269.010  334.563   22.759  303.867   25.048 30.69608 33.84287 
1 1 1   14   12    4 o  159.583   15.661  455.436   88.320  445.656  123.751  465.589  126.089  157.835   22.183  161.332   22.112 -3.497437 31.32180 
1 1 1   14   12    6 o  261.243   16.227  1224.04  149.818  1205.28  211.165  1243.05  212.593  259.211   23.049  263.275   22.846 -4.063629 32.45314 
1 1 1   14   12    8 o  540.643   18.812  5452.65  332.053  4804.34  575.149  5776.78  406.675  513.247   31.705  568.039   20.256 -54.79120 37.62354 
1 1 1   14   12   10 o  155.347   13.968  438.363   71.863  414.570  123.926  450.418   88.207  151.738   23.107  158.957   15.700 -7.218857 27.93637 
1 1 1   14   12   12 o  174.815   13.004  532.079   76.988  599.779  132.137  497.286   94.728  182.727   20.460  166.904   16.058 15.82343 26.00884 
1 1 1   14   12   14 f  151.091   13.544  402.533   68.950  434.092  118.614  386.426   84.737  155.157   21.629  147.025   16.307 8.132095 27.08753 
1 1 1   14   12   16 o  397.583   25.417  2878.91  357.171   0.0000   0.0000  2878.91  357.171  ?   ?   397.583   25.417      ?      ? 
1 1 1   14   12   18 o  250.953   16.001  1143.35  141.567  1048.38  199.722  1239.25  200.693  240.209   23.524  261.697   21.698 -21.48779 32.00274 
1 1 1   14   12   20 o  170.779   14.097  530.060   81.394  513.723  135.341  539.317  101.876  168.156   22.772  173.402   16.623 -5.246704 28.19339 
1 1 1   14   12   22 o  270.504   14.519  1306.45  133.199  1397.24  225.296  1257.66  165.155  276.745   23.033  264.263   17.682 12.48166 29.03762 
1 1 1   14   12   24 o   99.750   14.857  188.230   50.559  178.420   74.837  196.467   68.575   97.007   22.295  102.493   19.645 -5.486465 29.71475 
1 1 1   14   12   26 o   86.261   16.095  134.983   48.472  113.510   60.589  173.160   80.789   77.507   21.409   95.016   24.039 -17.50900 32.19015 
1 1 1   14   12   28 o  211.510   14.015  833.363  100.892  769.664  162.618  873.226  128.644  203.667   22.591  219.353   16.593 -15.68616 28.02978 
1 1 1   14   12   30 o  153.360   16.696  419.604   87.101  356.604  106.903  544.016  150.228  137.913   21.931  168.806   25.179 -30.89276 33.39118 
1 1 1   14   12   32 o   50.871   13.364   34.778   35.581   66.744   44.401 -22.5896   59.481   59.641   18.832   42.101   18.966 17.54002 26.72729 
1 1 1   14   12   34 o   44.679   22.126 -18.1340   3.5688 -17.9622   3.5702 -248.0862  130.594  ?   ?    44.679   22.126      ?      ? 
1 1 1   14   13    1 f  246.854   16.075  1091.86  140.173  1044.06  197.086  1140.79  199.404  241.330   23.106  252.376   22.354 -11.04608 32.14972 
1 1 1   14   13    3 o   52.387   13.435   38.725   31.963   28.821   42.218   52.026   48.925   47.783   18.137   56.992   19.825 -9.209312 26.86947 
1 1 1   14   13    5 o  230.013   16.138  951.340  131.053  993.998  184.434  907.836  186.254  235.331   22.174  224.695   23.453 10.63589 32.27545 
1 1 1   14   13    7 o  165.621   16.170  498.034   93.447  582.941  131.439  411.255  132.881  180.302   20.626  150.941   24.908 29.36089 32.33899 
1 1 1   14   13    9 o  169.803   16.938  533.891   97.131  646.361  136.706  419.229  138.032  189.765   20.382  149.841   27.059 39.92378 33.87658 
1 1 1   14   13   11 o  130.541   21.722  307.037  100.223  307.037  100.223   0.0000   0.0000  130.541   21.722  ?   ?       ?      ? 
1 1 1   14   13   13 o  196.680   13.046  662.130   87.125  809.906  150.391  587.481  106.890  212.165   20.055  181.194   16.691 30.97092 26.09192 
1 1 1   14   13   15 f   50.920   12.917   37.335   29.399   26.599   38.340   52.656   45.801   45.563   17.286   56.277   19.199 -10.71450 25.83404 
1 1 1   14   13   17 o  254.114   24.025  1175.11  215.785   0.0000   0.0000  1175.11  215.785  ?   ?   254.114   24.025      ?      ? 
1 1 1   14   13   19 o  276.971   13.985  1358.62  131.203  1475.95  223.353  1296.81  162.123  285.187   22.159  268.755   17.067 16.43204 27.96962 
1 1 1   14   13   21 o  227.724   14.086  940.035  108.382  934.883  181.680  942.881  135.042  226.424   22.702  229.023   16.683 -2.598694 28.17264 
1 1 1   14   13   23 o  141.748   19.684  396.797   93.445  453.377  120.542  311.589  147.926  157.642   21.634  125.854   32.890 31.78892 39.36731 
1 1 1   14   13   25 o  100.392   13.627  191.183   46.740  132.656   66.594  248.004   65.617   83.506   22.186  117.278   15.830 -33.77216 27.25450 
1 1 1   14   13   27 o   64.266   13.169   68.439   31.752   42.616   39.690  114.345   52.921   50.989   17.849   77.543   19.367 -26.55416 26.33759 
1 1 1   14   13   29 o  241.516   18.402  1107.53  152.883  1069.76  194.011  1169.40  248.323  238.190   23.045  244.842   28.695 -6.652512 36.80362 
1 1 1   14   13   31 o   58.672   14.908   59.005   37.823   65.246   44.940   43.847   70.039   59.191   18.973   58.153   23.000 1.038177 29.81532 
1 1 1   14   13   33 o   83.800   32.223  142.295  134.350   0.0000   0.0000  142.295  134.350  ?   ?    83.800   32.223      ?      ? 
1 1 1   14   14    0 o  334.494   16.902  2014.60  199.476  1871.32  281.086  2159.97  283.129  322.308   24.674  346.680   23.107 -24.37198 33.80442 
1 1 1   14   14    2 o  310.680   16.764  1737.61  184.083  1729.35  259.956  1745.91  260.710  309.934   23.731  311.426   23.686 -1.491638 33.52834 
1 1 1   14   14    4 o   67.901   21.418   81.804   57.445   81.804   57.445   0.0000   0.0000   67.901   21.418  ?   ?       ?      ? 
1 1 1   14   14    6 o  240.773   16.473  1051.42  138.970  1203.35  196.092  898.112  196.978  258.718   21.444  222.828   25.011 35.88957 32.94537 
1 1 1   14   14    8 o  347.025   15.127  2125.76  176.346  2302.85  305.564  2037.32  215.935  356.755   24.233  337.295   18.113 19.45956 30.25453 
1 1 1   14   14   10 o  157.804   17.395  469.589   91.189  607.538  128.388  329.152  129.541  183.851   19.758  131.756   28.635 52.09488 34.78994 
1 1 1   14   14   12 o  198.804   18.501  747.701  121.522  961.924  170.449  526.245  173.303  230.959   20.881  166.650   30.548 64.30891 37.00274 
1 1 1   14   14   14 o  163.014   20.027  529.365  106.946  775.555  149.316  270.030  153.251  207.359   20.373  118.668   34.484 88.69116 40.05309 
1 1 1   14   14   16 o  144.791   19.268  409.810   93.957  524.891  127.704  273.995  138.731  170.338   21.212  119.245   32.173 51.09323 38.53646 
1 1 1   14   14   18 f  153.744   15.534  429.231   84.364  441.281  118.588  416.883  120.043  156.014   21.506  151.474   22.422 4.540451 31.06853 
1 1 1   14   14   20 o   52.976   14.600   35.117   38.078   55.072   42.251 -51.2155   87.880   56.250   18.426   49.702   22.652 6.548172 29.20000 
1 1 1   14   14   22 o   96.549   21.010  176.020   69.659   0.0000   0.0000  176.020   69.659  ?   ?    96.549   21.010      ?      ? 
1 1 1   14   14   24 o  127.769   16.869  308.039   74.151  320.281  100.690  293.532  109.607  132.104   21.565  123.433   25.947 8.670830 33.73891 
1 1 1   14   14   26 o   44.649   12.318   23.470   28.009   34.461   34.169   0.9569   48.904   46.567   16.538   42.731   18.262 3.836231 24.63692 
1 1 1   14   14   28 o  152.630   19.258  431.160  103.887   0.0000   0.0000  431.160  103.887  ?   ?   152.630   19.258      ?      ? 
1 1 1   14   14   30 o   80.823   26.031  129.667   84.519   0.0000   0.0000  129.667   84.519  ?   ?    80.823   26.031      ?      ? 
1 1 1   14   15    1 f  230.553   15.957  957.099  130.015  936.340  183.001  978.258  184.749  228.002   22.709  233.104   22.424 -5.102478 31.91442 
1 1 1   14   15    3 o  145.308   17.584  402.869   84.726  550.426  119.236  252.387  120.412  175.220   19.253  115.396   29.431 59.82471 35.16885 
1 1 1   14   15    5 o  353.668   18.375  2302.00  224.808  2824.29  317.448  1776.56  318.408  395.591   22.704  311.746   28.898 83.84570 36.74992 
1 1 1   14   15    7 o  253.768   16.771  1173.07  149.062  1343.83  210.133  1000.11  211.485  272.949   21.782  234.587   25.507 38.36201 33.54160 
1 1 1   14   15    9 o  347.817   18.275  2226.29  220.967  2667.78  311.903  1781.43  313.090  383.887   22.988  311.748   28.415 72.13852 36.54914 
1 1 1   14   15   11 o  144.662   15.350  378.552   78.379  401.784  111.074  355.512  110.616  149.180   21.066  140.143   22.332 9.036255 30.70008 
1 1 1   14   15   13 o  208.364   14.293  772.369  100.224  819.302  172.170  748.313  123.262  212.472   22.926  204.256   17.074 8.216263 28.58562 
1 1 1   14   15   15 o  158.050   18.585  478.493   97.885  610.723  136.193  337.204  140.780  183.737   20.972  132.362   30.690 51.37526 37.17084 
1 1 1   14   15   17 o  164.133   21.962  489.528  127.404  489.528  127.404   0.0000   0.0000  164.133   21.962  ?   ?       ?      ? 
1 1 1   14   15   19 o  187.449   16.602  627.869  107.956  568.311  137.669  722.974  173.968  176.560   22.061  198.337   24.817 -21.77634 33.20484 
1 1 1   14   15   21 o  114.804   14.653  249.333   57.014  207.250   85.019  283.725   76.857  104.263   23.618  125.344   17.348 -21.08054 29.30520 
1 1 1   14   15   23 o   83.662   20.992  133.184   61.972   0.0000   0.0000  133.184   61.972  ?   ?    83.662   20.992      ?      ? 
1 1 1   14   15   25 o   69.788   14.418   90.987   34.388   0.0000   0.0000   90.987   34.388  ?   ?    69.788   14.418      ?      ? 
1 1 1   14   15   27 o   72.577   15.111   99.190   37.502   0.0000   0.0000   99.190   37.502  ?   ?    72.577   15.111      ?      ? 
1 1 1   14   15   29 o   46.448   10.939   37.196   20.937   45.578   31.993   30.917   27.691   49.982   16.007   42.914   14.915 7.067162 21.87891 
1 1 1   14   15   31 o   75.722   17.901   30.818   26.748   20.497   27.264  295.764  138.139   38.332   14.569  113.111   32.703 -74.77931 35.80119 
1 1 1   14   16    0 o  321.723   17.234  1880.21  195.052  2079.83  275.442  1679.42  276.250  339.341   22.965  304.105   25.702 35.23636 34.46704 
1 1 1   14   16    2 o   41.186   16.143   17.929   34.216   17.929   34.216   0.0000   0.0000   41.186   16.143  ?   ?       ?      ? 
1 1 1   14   16    4 o   89.268   16.309  149.493   51.708  149.921   70.232  148.987   76.409   89.394   22.302   89.143   23.804 0.2517471 32.61851 
1 1 1   14   16    6 o  211.528   17.126  824.686  125.171  1010.43  176.023  634.679  178.031  236.689   21.041  186.367   27.028 50.32149 34.25235 
1 1 1   14   16    8 o  173.961   16.780  556.093  101.538  655.422  142.021  452.233  145.225  190.535   21.089  157.386   26.107 33.14949 33.56068 
1 1 1   14   16   10 o  121.075   18.306  286.258   78.875  408.038  108.634  150.488  114.704  150.365   20.441   91.784   30.374 58.58125 36.61163 
1 1 1   14   16   12 o  372.331   14.974  2396.08  189.158  2910.12  326.840  2137.19  231.952  400.192   23.107  344.470   19.051 55.72205 29.94830 
1 1 1   14   16   14 o  305.767   13.753  1652.54  142.934  1812.13  241.886  1566.93  177.176  316.124   21.649  295.411   16.969 20.71304 27.50670 
1 1 1   14   16   16 o  234.713   16.665  1004.23  137.644  978.901  185.227  1035.47  205.694  231.725   22.616  237.702   24.483 -5.976746 33.33021 
1 1 1   14   16   18 o  240.295   22.827  1056.30  193.874   0.0000   0.0000  1056.30  193.874  ?   ?   240.295   22.827      ?      ? 
1 1 1   14   16   22 o  107.959   22.641  222.564   83.634   0.0000   0.0000  222.564   83.634  ?   ?   107.959   22.641      ?      ? 
1 1 1   14   16   24 o   34.450   9.3587   13.563   16.307   21.431   23.034   5.6576   23.089   37.563   13.552   31.338   12.911 6.225163 18.71737 
1 1 1   14   16   26 o   73.512   13.018  106.090   33.033   90.445   55.665  114.594   41.041   69.019   20.968   78.005   15.432 -8.985886 26.03512 
1 1 1   14   16   28 o   54.671   12.837   54.262   28.978   52.280   40.972   56.246   40.990   53.956   18.160   55.386   18.149 -1.430756 25.67412 
1 1 1   14   16   30 o   48.350   15.327   18.767   26.598   22.245   27.126 -67.9227  135.431   38.927   14.590   57.773   26.958 -18.84549 30.65306 
1 1 1   14   17    1 o  374.187   14.257  2421.80  180.547  2867.17  312.770  2199.23  221.106  398.213   22.222  350.161   17.865 48.05215 28.51318 
1 1 1   14   17    3 o  290.874   13.568  1448.08  133.905  1786.63  231.810  1278.54  164.043  314.700   20.841  267.049   17.380 47.65128 27.13668 
1 1 1   14   17    5 o  322.286   15.144  1807.83  165.056  2115.53  285.896  1654.01  202.148  341.291   23.701  303.280   18.858 38.01062 30.28805 
1 1 1   14   17    7 o   84.252   14.824  124.036   42.583  170.951   72.862   99.699   52.478   95.341   22.060   73.163   19.808 22.17758 29.64793 
1 1 1   14   17    9 f  274.836   13.318  1330.88  124.131  1462.08  211.266  1261.71  153.402  284.339   21.022  265.333   16.358 19.00623 26.63639 
1 1 1   14   17   11 o  320.075   11.768  1786.94  128.237  2026.02  217.545  1659.63  158.751  335.509   18.345  304.640   14.744 30.86993 23.53565 
1 1 1   14   17   13 o  185.777   15.215  618.366   99.902   0.0000   0.0000  618.366   99.902  ?   ?   185.777   15.215      ?      ? 
1 1 1   14   17   15 o  173.998   21.825  551.508  134.220   0.0000   0.0000  551.508  134.220  ?   ?   173.998   21.825      ?      ? 
1 1 1   14   17   17 o   90.534   14.176  146.910   45.361   0.0000   0.0000  146.910   45.361  ?   ?    90.534   14.176      ?      ? 
1 1 1   14   17   19 o  294.739   15.413  1564.65  160.565   0.0000   0.0000  1564.65  160.565  ?   ?   294.739   15.413      ?      ? 
1 1 1   14   17   21 o  226.076   16.156  947.567  129.080  947.841  181.160  947.286  183.967  226.196   22.660  225.956   23.035 0.2400818 32.31254 
1 1 1   14   17   23 o   44.743   13.655   15.252   24.995   19.673   26.004 -38.4002   90.584   38.003   14.277   51.484   23.280 -13.48132 27.30908 
1 1 1   14   17   25 o   61.558   15.527   56.978   51.936  111.250   58.081 -159.5595  116.015   75.715   20.979   47.401   22.897 28.31450 31.05473 
1 1 1   14   17   27 o   35.331   9.6139   15.237   17.023   9.6760   23.405   21.483   24.803   32.707   13.174   37.954   14.005 -5.246841 19.22783 
1 1 1   14   17   29 o   18.728   7.3050  -2.6770   2.4317  -2.5220   2.4361 -45.5195   40.503   7.6407   3.5816   29.815   14.164 -22.17455 14.60998 
1 1 1   14   18    0 f  421.114   15.874  3108.53  225.764  3568.41  390.932  2878.42  276.539  442.472   24.997  399.756   19.572 42.71521 31.74815 
1 1 1   14   18    2 o  301.194   13.314  1601.38  135.868  1739.88  231.207  1528.32  167.922  310.274   21.083  292.114   16.264 18.15988 26.62757 
1 1 1   14   18    4 o  189.324   13.472  636.914   86.700  676.466  145.733  615.246  107.866  193.370   21.323  185.280   16.472 8.089905 26.94413 
1 1 1   14   18    6 o  271.171   13.666  1308.44  125.270  1383.74  213.021  1268.62  154.882  276.334   21.811  266.009   16.473 10.32474 27.33271 
1 1 1   14   18    8 o  266.073   15.553  1267.81  146.259   0.0000   0.0000  1267.81  146.259  ?   ?   266.073   15.553      ?      ? 
1 1 1   14   18   10 o   91.291   21.937  157.329   69.900   0.0000   0.0000  157.329   69.900  ?   ?    91.291   21.937      ?      ? 
1 1 1   14   18   12 o  112.074   22.561  236.684   86.274   0.0000   0.0000  236.684   86.274  ?   ?   112.074   22.561      ?      ? 
1 1 1   14   18   14 o  185.675   15.534  629.432  101.931  640.555  144.401  618.386  143.905  187.354   21.807  183.997   22.128 3.356979 31.06739 
1 1 1   14   18   16 o   63.935   10.720   65.440   23.441  118.960   41.657   40.641   28.356   80.069   15.277   47.801   15.044 32.26818 21.44091 
1 1 1   14   18   18 o  168.461   13.135  499.053   75.076  578.909  128.838  457.997   92.380  177.785   20.504  159.137   16.424 18.64754 26.27082 
1 1 1   14   18   20 o  239.563   13.149  1005.83   99.710  1150.93  194.409  954.032  116.151  249.139   22.078  229.987   14.289 19.15230 26.29823 
1 1 1   14   18   22 o  194.317   13.368  689.173   87.174  720.781  149.840  673.000  107.180  196.407   21.585  192.228   15.775 4.179398 26.73514 
1 1 1   14   18   24 o  106.710   16.598  221.227   60.774  276.334   92.631  179.579   80.529  118.604   22.927   94.815   24.006 23.78878 33.19532 
1 1 1   14   18   26 o   40.410   11.255   8.2112   27.665   42.584   34.709 -51.6676   45.811   49.069   16.713   31.751   15.078 17.31843 22.50942 
1 1 1   14   18   28 o   91.476   19.046  197.605   73.385  258.280   89.449   72.684  128.347  111.474   23.446   71.479   30.021 39.99474 38.09153 
1 1 1   14   19    1 o  179.224   25.164  587.078  159.406   0.0000   0.0000  587.078  159.406  ?   ?   179.224   25.164      ?      ? 
1 1 1   14   19    3 o   71.848   17.715   96.423   44.703   0.0000   0.0000   96.423   44.703  ?   ?    71.848   17.715      ?      ? 
1 1 1   14   19    5 o  134.239   21.418  326.766  101.618   0.0000   0.0000  326.766  101.618  ?   ?   134.239   21.418      ?      ? 
1 1 1   14   19    7 o   42.725   15.462   27.250   30.018   0.0000   0.0000   27.250   30.018  ?   ?    42.725   15.462      ?      ? 
1 1 1   14   19    9 o   89.419   15.025  150.845   47.025  176.649   67.235  126.136   65.794   97.004   20.264   81.833   22.189 15.17162 30.04964 
1 1 1   14   19   11 o  237.469   12.430  984.509  101.469  1159.46  168.687  885.315  127.019  253.092   18.857  221.846   16.199 31.24615 24.86000 
1 1 1   14   19   13 o   50.388   12.092   42.743   25.581   40.877   38.837   44.173   33.998   50.345   17.655   50.431   16.529 -0.8563232E-01 24.18457 
1 1 1   14   19   15 o  170.659   12.074  517.357   71.583  579.553  114.426  477.365   91.755  178.674   18.119  162.643   15.962 16.03142 24.14707 
1 1 1   14   19   17 o  181.118   14.266  597.839   88.730  619.496  144.491  584.728  112.426  182.976   22.342  179.260   17.744 3.715820 28.53139 
1 1 1   14   19   19 o   76.961   17.189  112.088   45.576   0.0000   0.0000  112.088   45.576  ?   ?    76.961   17.189      ?      ? 
1 1 1   14   19   21 o   92.805   15.742  165.358   50.722  195.776   77.645  142.714   66.991  100.108   22.493   85.501   22.031 14.60701 31.48486 
1 1 1   14   19   23 o   54.489   12.000   47.001   25.741   85.603   43.461   26.143   31.947   66.577   18.026   42.401   15.845 24.17575 24.00047 
1 1 1   14   19   25 o   28.161   7.8657   7.8506   11.634   3.9377   15.920   12.335   17.044   25.930   10.706   30.392   11.527 -4.461933 15.73137 
1 1 1   14   20    2 o  385.252   17.529  2730.22  237.382  3051.03  336.066  2410.76  335.352  408.747   23.262  361.756   26.228 46.99100 35.05756 
1 1 1   14   20    4 o  162.418   15.419  480.255   88.513  479.569  125.521  480.934  124.835  162.286   21.884  162.550   21.728 -0.2647247 30.83848 
1 1 1   14   20    6 o   31.179   6.6117   2.3329   9.6411   39.745   17.393 -14.2603   11.584   46.327   10.819   16.031   7.6039 30.29552 13.22349 
1 1 1   14   20    8 o  172.519   13.459  518.317   80.231  644.630  131.504  443.420  101.261  188.449   19.744  156.588   18.296 31.86110 26.91771 
1 1 1   14   20   10 o  178.513   12.657  573.133   77.706  591.709  126.057  561.748   98.686  180.373   19.773  176.653   15.806 3.720581 25.31394 
1 1 1   14   20   12 o  153.842   11.693  417.099   62.696  494.466   99.288  365.794   80.854  165.318   16.993  142.366   16.069 22.95270 23.38687 
1 1 1   14   20   14 o  155.957   13.562  438.654   73.560  475.633  116.565  414.181   94.827  160.992   20.485  150.923   17.777 10.06851 27.12327 
1 1 1   14   20   16 o   76.924   13.162  108.932   36.566  162.965   54.852   65.714   49.056   93.218   17.285   60.631   19.854 32.58730 26.32383 
1 1 1   14   20   18 o   97.358   14.017  179.810   46.274  193.361   70.533  169.570   61.315  100.380   20.572   94.336   19.046 6.043144 28.03439 
1 1 1   14   20   20 o  133.354   14.514  324.445   68.411   0.0000   0.0000  324.445   68.411  ?   ?   133.354   14.514      ?      ? 
1 1 1   14   20   22 o   76.317   12.830  113.417   32.618  111.782   57.018  114.212   39.769   75.133   20.775   77.501   15.061 -2.367767 25.65990 
1 1 1   14   20   24 o  111.050   14.037  233.288   49.550  266.642   91.250  219.341   59.007  113.833   23.460  108.267   15.420 5.566269 28.07420 
1 1 1   14   21    1 o  224.964   14.519  934.288  109.562  871.406  183.103  969.359  136.744  217.907   23.774  232.021   16.675 -14.11423 29.03887 
1 1 1   14   21    3 o   60.555   13.836   64.449   33.642   71.063   50.142   59.035   45.368   62.970   20.026   58.139   19.096 4.830765 27.67112 
1 1 1   14   21    5 o  161.959   12.607  468.153   70.619  504.027  113.780  445.674   90.066  166.618   19.321  157.300   16.200 9.318390 25.21365 
1 1 1   14   21    7 f  165.489   13.386  485.833   77.050  563.448  123.018  435.733   98.838  175.902   19.787  155.076   18.033 20.82635 26.77121 
1 1 1   14   21    9 f  123.328   15.262  274.340   64.231  342.161  102.086  229.900   82.637  136.593   21.146  110.064   22.012 26.52889 30.52304 
1 1 1   14   21   11 o  225.156   13.667  883.936  105.925  1130.54  175.943  743.737  132.661  248.363   20.043  201.950   18.586 46.41266 27.33410 
1 1 1   14   21   13 o  127.997   13.051  295.194   58.527  335.231   90.366  266.264   76.814  135.253   18.903  120.741   18.000 14.51198 26.10230 
1 1 1   14   21   15 o   45.305   10.829   31.789   22.444   5.9443   32.846   54.427   30.741   36.582   15.263   54.027   15.367 -17.44487 21.65896 
1 1 1   14   21   17 o   92.866   14.661  168.240   46.600  159.543   70.870  174.864   61.851   90.166   22.350   95.567   18.981 -5.400925 29.32236 
1 1 1   14   21   19 o   46.463   11.742   35.237   24.410   37.229   34.012   33.120   35.055   47.074   16.521   45.853   16.691 1.220985 23.48463 
1 1 1   14   21   21 o   93.771   14.132  166.128   42.624  198.038   77.435  152.257   51.054   98.726   22.670   88.816   16.881 9.910896 28.26460 
1 1 1   14   22    0 o  225.653   16.797  926.190  132.411  858.098  172.296  1024.42  206.943  216.130   22.555  235.176   24.897 -19.04549 33.59402 
1 1 1   14   22    2 o  249.789   15.535  1125.21  135.511  914.834  179.845  1401.54  206.113  222.881   22.830  276.697   21.076 -53.81596 31.07068 
1 1 1   14   22    4 o   76.570   15.087  111.443   42.250  102.456   64.603  118.159   55.849   74.192   22.600   78.948   19.994 -4.755318 30.17489 
1 1 1   14   22    6 o  152.254   13.838  426.444   72.198  411.866  116.082  435.641   92.200  149.458   21.975  155.050   16.824 -5.591812 27.67589 
1 1 1   14   22    8 o  245.878   13.847  1100.19  115.794  1137.36  192.940  1079.27  144.763  247.938   22.017  243.818   16.799 4.120346 27.69371 
1 1 1   14   22   10 o   48.296   12.367   35.919   27.106   37.375   39.884   34.670   36.950   49.182   17.819   47.410   17.155 1.771698 24.73474 
1 1 1   14   22   12 o  232.331   12.887  969.540  102.876  1088.23  170.000  900.959  129.224  242.467   19.837  222.195   16.455 20.27225 25.77330 
1 1 1   14   22   14 o  161.202   13.208  485.357   73.383  463.609  115.700  499.994   94.917  157.244   20.818  165.159   16.260 -7.915726 26.41547 
1 1 1   14   22   16 o   11.717   3.9422  -6.5503   3.3230  -7.6147   3.7177  -2.3211   7.4106   7.8854   3.8717   15.548   6.8683 -7.662472 7.884413 
1 1 1   14   22   18 o   74.120   15.054  106.657   42.336  142.334   62.701   76.762   57.395   84.374   21.085   63.865   21.493 20.50921 30.10847 
1 1 1   14   22   20 o   9.3414   4.5371  -8.1729   4.7182   0.0000   0.0000  -8.1729   4.7182  ?   ?    9.3414   4.5371      ?      ? 
1 1 1   14   23    1 o  194.469   13.775  681.764   92.079  738.534  151.056  648.197  116.153  200.126   21.356  188.812   17.405 11.31435 27.55009 
1 1 1   14   23    3 o  132.569   18.512  326.764   79.985  295.073   97.706  391.153  139.269  124.240   23.101  140.898   28.934 -16.65827 37.02496 
1 1 1   14   23    5 o  208.096   19.441  847.783  137.676  939.216  179.787  718.146  214.079  224.503   22.658  191.689   31.598 32.81308 38.88170 
1 1 1   14   23    7 o   47.065   14.698   8.8466   21.014   8.3683   21.479   19.536  101.539   31.382   12.628   62.748   26.546 -31.36614 29.39640 
1 1 1   14   23    9 o  247.142   17.311  1159.26  150.306  1135.90  201.151  1188.79  226.171  245.221   23.208  249.062   25.693 -3.840744 34.62278 
1 1 1   14   23   11 o   66.589   15.200   81.115   40.529   96.527   61.842   69.511   53.658   71.162   22.188   62.017   20.782 9.145214 30.40032 
1 1 1   14   23   13 o  128.131   14.367  303.387   62.712  378.692  100.451  255.290   80.278  141.560   20.077  114.702   20.557 26.85818 28.73442 
1 1 1   14   23   15 o   69.522   14.173   90.564   37.671  131.126   57.249   59.589   50.028   81.361   20.040   57.683   20.048 23.67732 28.34654 
1 1 1   14   23   17 o  101.698   14.058  205.989   48.534  187.915   75.419  218.764   63.407   95.700   22.650  107.697   16.658 -11.99705 28.11549 
1 1 1   14   24    0 o  260.033   13.624  1249.98  119.750  1235.55  199.862  1258.06  149.570  257.221   21.984  262.845   16.100 -5.624359 27.24883 
1 1 1   14   24    2 o  211.200   13.996  815.278  101.167  870.725  167.212  783.263  127.060  215.682   21.935  206.719   17.390 8.963379 27.99218 
1 1 1   14   24    4 f  174.464   13.700  564.833   81.750  562.557  133.034  566.214  103.624  173.118   21.742  175.811   16.676 -2.693024 27.40095 
1 1 1   14   24    6 o  157.626   13.740  449.745   75.041  530.650  121.638  400.035   95.347  168.309   20.448  146.943   18.359 21.36615 27.47989 
1 1 1   14   24    8 f  128.332   19.379  336.606   84.042  352.513  105.956  309.624  138.000  136.030   22.038  120.634   31.884 15.39635 38.75898 
1 1 1   14   24   10 f   48.830   13.756   26.916   36.772   52.950   40.332 -101.3517   89.523   54.108   18.016   43.551   20.793 10.55688 27.51193 
1 1 1   14   24   12 o   88.100   18.418  158.126   58.343  154.098   69.990  167.297  105.623   87.206   22.543   88.993   29.132 -1.786690 36.83567 
1 1 1   14   24   14 o  122.810   14.876  252.857   58.913  152.030   70.277  491.211  108.053   85.888   22.778  159.733   19.139 -73.84454 29.75157 
1 1 1   14   25    1 o  222.452   16.302  919.001  126.103  768.810  162.118  1149.08  200.654  200.294   22.900  244.610   23.209 -44.31685 32.60489 
1 1 1   14   25    3 o  252.141   14.630  1180.93  125.842  1305.55  210.878  1112.01  156.827  260.284   22.923  243.997   18.185 16.28596 29.25988 
1 1 1   14   25    5 o  104.917   14.458  213.759   50.990  224.945   79.822  206.049   66.274  106.557   21.926  103.277   18.851 3.279984 28.91514 
1 1 1   14   25    7 o   66.105   13.372   81.644   33.554  116.088   50.878   55.131   44.638   76.852   18.869   55.358   18.953 21.49440 26.74445 
1 1 1   14   25    9 o   40.344   10.827   22.951   21.275   24.100   30.342   21.841   29.837   40.842   15.406   39.847   15.218 0.9940910 21.65475 
1 1 1   14   25   11 o   29.873   12.096   7.7378   19.841   0.0000   0.0000   7.7378   19.841  ?   ?    29.873   12.096      ?      ? 
1 1 1   14   26    0 f   91.100   13.847  165.943   42.977  146.762   65.236  180.650   57.125   85.374   21.602   96.825   17.329 -11.45052 27.69347 
1 1 1   14   26    2 f  162.117   19.031  545.093  103.737  550.398  134.201  537.219  163.518  167.012   22.735  157.223   30.527 9.788773 38.06226 
1 1 1   14   26    4 o   79.706   14.893  122.644   43.302  177.298   67.196   83.829   56.628   93.898   20.796   65.514   21.325 28.38430 29.78642 
1 1 1   14   26    6 o   74.405   19.607  111.337   52.286   0.0000   0.0000  111.337   52.286  ?   ?    74.405   19.607      ?      ? 
1 1 1   15    0    1 o  1147.48   22.898 23413.64  1310.97 23413.64  1310.97 23413.64  1310.97  1147.48   32.382  1147.48   32.382 -0.000000 0.000000 
1 1 1   15    0    3 o  668.367   15.757  7935.99  525.068  7935.99  525.068  7935.99  525.068  668.367   22.283  668.367   22.283 -0.000000 0.000000 
1 1 1   15    0    5 f   47.369   14.096   56.108   33.616   56.108   33.616   56.108   33.616   47.369   19.935   47.369   19.935 -0.000000 0.000000 
1 1 1   15    0    7 o  429.114   13.026  3277.41  278.215  3277.41  278.215  3277.41  278.215  429.114   18.421  429.114   18.421 -0.000000 0.000000 
1 1 1   15    0    9 o   84.977   14.260  147.423   52.577  147.423   52.577  147.423   52.577   84.977   20.166   84.977   20.166 -0.000000 0.000000 
1 1 1   15    0   11 o  227.342   16.587  945.623  183.889  945.623  183.889  945.623  183.889  227.342   23.457  227.342   23.457 -0.000000 0.000000 
1 1 1   15    0   13 o  368.820   12.375  2427.05  226.967  2427.05  226.967  2427.05  226.967  368.820   17.501  368.820   17.501 -0.000000 0.000000 
1 1 1   15    0   15 o   73.190   15.080  116.251   47.898  116.251   47.898  116.251   47.898   73.190   21.327   73.190   21.327 -0.000000 0.000000 
1 1 1   15    0   17 o   53.805   15.997   72.704   43.299   72.704   43.299   72.704   43.299   53.805   22.623   53.805   22.623 -0.000000 0.000000 
1 1 1   15    0   19 o   90.795   14.565  167.172   57.634  167.172   57.634  167.172   57.634   90.795   20.599   90.795   20.599 -0.000000 0.000000 
1 1 1   15    0   21 o   21.079   9.8640  -6.7081   27.179  -6.7081   27.179  -6.7081   27.179   21.079   13.950   21.079   13.950 -0.000000 0.000000 
1 1 1   15    0   23 o  197.398   11.981  708.392  116.211  708.392  116.211  708.392  116.211  197.398   16.944  197.398   16.944 -0.000000 0.000000 
1 1 1   15    0   25 o  149.010   19.878  438.440  132.677  438.440  132.677  438.440  132.677  149.010   28.112  149.010   28.112 -0.000000 0.000000 
1 1 1   15    0   27 o  262.388   17.140  1268.38  220.385  1268.38  220.385  1268.38  220.385  262.388   24.239  262.388   24.239 -0.000000 0.000000 
1 1 1   15    0   29 o   33.189   13.926   21.851   40.161   21.851   40.161   21.851   40.161   33.189   19.694   33.189   19.694 -0.000000 0.000000 
1 1 1   15    0   31 o   97.036   15.880  193.515   67.016  193.515   67.016  193.515   67.016   97.036   22.458   97.036   22.458 -0.000000 0.000000 
1 1 1   15    0   33 o   53.230   17.189   74.691   49.754   74.691   49.754   74.691   49.754   53.230   24.308   53.230   24.308 -0.000000 0.000000 
1 1 1   15    0   35 o   38.569   14.960   38.313   41.446   38.313   41.446   38.313   41.446   38.569   21.156   38.569   21.156 -0.000000 0.000000 
1 1 1   15    0   37 o   68.842   19.943  124.300   67.698  124.300   67.698  124.300   67.698   68.842   28.204   68.842   28.204 -0.000000 0.000000 
1 1 1   15    1    0 o  306.317   11.679  1661.45  126.434  1644.40  178.828  1678.50  178.780  304.742   16.603  307.892   16.429 -3.150055 23.35715 
1 1 1   15    1    2 o  622.878   14.941  6880.25  328.906  6985.58  465.173  6774.95  465.115  627.662   20.969  618.094   21.290 9.567505 29.88251 
1 1 1   15    1    4 o  1348.00   26.186 32469.27  1247.59 32573.86  1764.38 32364.69  1764.35  1350.19   36.972  1345.80   37.092 4.390015 52.37166 
1 1 1   15    1    6 o  1000.93   20.569 17844.80  727.612 17607.95  1028.99 18081.66  1029.01  994.231   29.282  1007.62   28.894 -13.39008 41.13739 
1 1 1   15    1    8 o  324.927   11.863  1871.25  136.226  1895.01  192.726  1847.52  192.580  326.994   16.676  322.860   16.876 4.134308 23.72517 
1 1 1   15    1   10 o  679.576   31.876  8267.12  765.628  8267.12  765.628   0.0000   0.0000  679.576   31.876  ?   ?       ?      ? 
1 1 1   15    1   12 o  357.147   14.681  2236.04  175.956  2378.25  304.588  2164.81  215.564  365.174   23.599  349.120   17.469 16.05386 29.36141 
1 1 1   15    1   14 f  363.074   12.000  2344.73  153.974  2389.46  218.106  2300.28  217.400  366.545   16.835  359.603   17.105 6.941650 23.99995 
1 1 1   15    1   16 o  484.069   13.594  4189.54  232.242  4454.60  328.672  3925.23  328.207  499.535   18.616  468.602   19.816 30.93347 27.18874 
1 1 1   15    1   18 o  231.434   11.518  955.450   94.213  949.253  133.630  961.574  132.848  230.674   16.390  232.193   16.188 -1.518967 23.03648 
1 1 1   15    1   20 o   37.235   10.486 -16.3266   20.237 -35.8250   23.187   46.014   41.459   21.401   10.312   53.070   18.262 -31.66922 20.97198 
1 1 1   15    1   22 o   87.122   14.814  136.939   43.992  167.332   72.428  119.171   55.378   94.401   22.098   79.842   19.736 14.55925 29.62812 
1 1 1   15    1   24 o   29.355   11.774 -34.4504   12.579 -69.4952   17.069   7.2034   18.609  ?   ?    29.355   11.774      ?      ? 
1 1 1   15    1   26 o   99.714   15.172  186.372   50.242  186.252   83.789  186.440   62.781   99.152   24.136  100.277   18.391 -1.125351 30.34482 
1 1 1   15    1   28 o  129.614   16.237  331.649   66.471  368.282   81.655  259.687  114.445  143.156   16.138  116.071   28.180 27.08449 32.47353 
1 1 1   15    1   30 o   88.696   14.278  149.044   44.063  181.382   62.775  117.639   61.863   98.483   18.719   78.908   21.566 19.57549 28.55678 
1 1 1   15    1   32 o   48.192   12.842   31.265   30.211   42.265   40.953   18.131   44.749   51.206   18.113   45.178   18.210 6.028114 25.68455 
1 1 1   15    1   34 o   71.034   13.286   94.881   36.901  148.364   52.042   40.804   52.330   88.584   17.242   53.484   20.218 35.10043 26.57205 
1 1 1   15    1   36 o   70.469   14.692   96.979   38.741   95.516   60.518   97.994   50.428   70.129   21.962   70.809   19.520 -0.6806259 29.38347 
1 1 1   15    2    1 o  119.886   10.900  255.208   45.995  228.887   65.150  281.363   64.943  113.693   16.213  126.078   14.574 -12.38513 21.80031 
1 1 1   15    2    3 o  989.780   20.381 17429.01  712.895 17115.78  1008.20 17742.22  1008.18  980.826   29.083  998.733   28.561 -17.90723 40.76154 
1 1 1   15    2    5 o  1355.33   26.233 32876.75  1255.44 31244.78  1775.42 34508.87  1775.51  1321.26   38.018  1389.40   36.156 -68.13892 52.46557 
1 1 1   15    2    7 o  666.763   19.292  7947.77  427.607  7814.97  740.341  8014.25  523.815  661.722   31.655  671.804   22.060 -10.08215 38.58333 
1 1 1   15    2    9 o  117.021   16.730  252.940   66.779  232.072   95.429  272.964   93.480  112.026   24.760  122.016   22.505 -9.989395 33.45977 
1 1 1   15    2   11 f  739.628   23.801  9830.39  622.181  9866.73  879.682  9794.02  880.111  741.021   33.587  738.234   33.731 2.787598 47.60099 
1 1 1   15    2   13 o  465.602   16.572  3872.64  256.968  3871.95  314.720  3874.03  445.084  466.388   19.092  464.817   27.092 1.571320 33.14342 
1 1 1   15    2   15 o  345.894   12.091  2131.79  147.684  2239.64  209.171  2024.58  208.543  354.686   16.685  337.103   17.503 17.58316 24.18180 
1 1 1   15    2   17 o  148.349   11.310  393.582   58.793  458.042   83.899  331.383   82.414  160.416   14.798  136.282   17.110 24.13441 22.62095 
1 1 1   15    2   19 o  349.077   15.530  2258.43  177.652  2383.73  217.907  2010.06  306.781  365.257   16.879  332.897   26.073 32.35995 31.06017 
1 1 1   15    2   21 o  129.066   16.196  305.432   72.268  282.467  100.424  330.099  104.079  122.882   23.983  135.251   21.772 -12.36943 32.39162 
1 1 1   15    2   23 o   59.541   13.360   62.667   32.928   33.955   50.460   83.962   43.456   51.853   19.793   67.229   17.951 -15.37611 26.72059 
1 1 1   15    2   25 o   70.210   11.668   78.083   32.123   22.341   41.490  161.504   50.755   45.401   17.781   95.019   15.113 -49.61749 23.33609 
1 1 1   15    2   27 o   47.090   12.002  -8.6802   28.013 -44.6483   32.991   84.257   53.031   26.353   12.593   67.826   20.435 -41.47242 24.00375 
1 1 1   15    2   29 o   32.692   10.397 -27.3193   22.850 -41.2282   26.905   8.6712   43.280   23.051   11.107   42.333   17.579 -19.28219 20.79414 
1 1 1   15    2   31 o   45.267   12.580   18.471   28.712   7.3739   35.860   38.293   47.926   38.579   16.009   51.955   19.409 -13.37611 25.15965 
1 1 1   15    2   33 o  100.180   13.059  181.293   44.597  132.386   58.280  250.396   69.276   83.131   20.064  117.230   16.720 -34.09814 26.11743 
1 1 1   15    2   35 o  105.400   15.744  213.800   55.096  234.527   91.760  202.115   68.898  108.395   24.524  102.405   19.751 5.990829 31.48877 
1 1 1   15    2   37 o   52.001   22.181   14.120   71.896   0.0000   0.0000   14.120   71.896  ?   ?    52.001   22.181      ?      ? 
1 1 1   15    3    0 o  631.896   15.240  7085.51  340.052  6737.25  480.902  7433.79  480.909  616.302   22.077  647.490   21.014 -31.18719 30.47934 
1 1 1   15    3    2 o  1213.09   23.959 26249.40  1026.93 25484.28  1452.29 27014.54  1452.31  1195.25   34.378  1230.94   33.381 -35.69006 47.91788 
1 1 1   15    3    4 o  819.426   17.564 11937.04  508.172 11324.44  718.655 12549.66  718.672  798.274   25.471  840.578   24.190 -42.30414 35.12728 
1 1 1   15    3    6 o  103.984   10.504  191.679   38.567  185.680   55.201  197.400   53.905  102.387   15.254  105.581   14.445 -3.194077 21.00819 
1 1 1   15    3    8 o  312.849   14.229  1720.75  148.598  1788.23  258.738  1687.55  181.519  317.159   23.081  308.539   16.645 8.619263 28.45731 
1 1 1   15    3   10 o  202.070   11.406  724.485   81.421  697.727  115.245  751.151  115.048  198.329   16.440  205.811   15.816 -7.481461 22.81291 
1 1 1   15    3   12 o  497.769   16.557  4386.89  275.788  4531.44  476.925  4314.28  338.037  503.119   26.820  492.419   19.423 10.70038 33.11423 
1 1 1   15    3   14 o  286.811   11.885  1465.97  120.205  1352.23  170.061  1579.53  169.931  275.599   17.459  298.023   16.133 -22.42389 23.77095 
1 1 1   15    3   16 o  274.575   14.408  1401.78  129.093  1204.06  222.450  1502.17  158.516  258.667   24.332  290.483   15.439 -31.81616 28.81675 
1 1 1   15    3   18 o  200.011   15.628  718.915  110.301  664.454  153.615  776.878  158.476  192.115   22.623  207.908   21.566 -15.79222 31.25546 
1 1 1   15    3   20 o  214.891   11.266  825.556   85.425  768.523  120.491  883.195  121.129  207.348   16.441  222.434   15.407 -15.08562 22.53212 
1 1 1   15    3   22 o  106.790   11.689  204.078   44.106  197.134   61.757  211.308   63.013  104.927   16.652  108.654   16.408 -3.727142 23.37809 
1 1 1   15    3   24 o   47.143   16.616   35.014   34.433   35.014   34.433   0.0000   0.0000   47.143   16.616  ?   ?       ?      ? 
1 1 1   15    3   26 o   73.442   15.209  100.240   42.454   81.196   62.774  116.293   57.633   68.146   22.466   78.739   20.506 -10.59291 30.41756 
1 1 1   15    3   28 o  145.430   14.406  385.648   71.254  377.876  117.198  390.206   89.746  143.711   23.073  147.148   17.256 -3.436295 28.81219 
1 1 1   15    3   30 o   34.898   15.952 -28.4299   43.983   0.0000   0.0000 -28.4299   43.983  ?   ?    34.898   15.952      ?      ? 
1 1 1   15    3   32 o   60.866   22.931   53.481   67.170   53.481   67.170   0.0000   0.0000   60.866   22.931  ?   ?       ?      ? 
1 1 1   15    3   34 o   65.193   16.832   69.856   50.580   59.409   75.274   78.456   68.296   63.486   24.189   66.900   23.414 -3.414505 33.66485 
1 1 1   15    3   36 o   60.668   22.141   62.729   61.739   0.0000   0.0000   62.729   61.739  ?   ?    60.668   22.141      ?      ? 
1 1 1   15    4    1 o  829.434   18.093 12230.06  529.854 11586.59  749.312 12873.57  749.341  807.484   26.255  851.384   24.902 -43.90039 36.18596 
1 1 1   15    4    3 o  980.250   20.024 17109.80  693.086 16255.43  980.184 17964.12  980.161  955.591   29.021  1004.91   27.596 -49.31812 40.04725 
1 1 1   15    4    5 o  264.548   11.304  1239.91  105.691  1232.39  149.823  1247.35  149.117  263.746   16.072  265.349   15.900 -1.603424 22.60785 
1 1 1   15    4    7 o  124.833   13.044  271.612   54.832  292.019   94.476  261.247   67.333  128.243   20.843  121.422   15.689 6.820938 26.08827 
1 1 1   15    4    9 o  359.997   14.856  2272.47  179.296  2207.95  219.566  2401.58  310.622  352.744   17.611  367.251   23.930 -14.50656 29.71215 
1 1 1   15    4   11 o  275.988   11.668  1355.82  113.248  1194.25  159.499  1520.09  160.822  259.292   17.404  292.685   15.546 -33.39273 23.33639 
1 1 1   15    4   13 o  253.375   14.083  1160.87  118.434  1096.44  203.439  1193.90  145.661  247.572   23.249  259.178   15.901 -11.60579 28.16696 
1 1 1   15    4   15 o  305.657   11.315  1663.45  122.220  1697.83  173.117  1629.28  172.576  308.826   15.860  302.488   16.142 6.338837 22.62963 
1 1 1   15    4   17 o  195.394   11.598  684.745   79.459  587.441  112.554  781.422  112.190  181.347   17.560  209.441   15.156 -28.09433 23.19596 
1 1 1   15    4   19 o  198.715   11.015  705.388   77.154  642.191  108.457  770.135  109.780  189.619   16.183  207.812   14.946 -18.19305 22.02906 
1 1 1   15    4   21 o  168.959   13.606  510.571   77.788  521.895  130.952  504.396   96.698  169.999   21.795  167.920   16.293 2.079193 27.21129 
1 1 1   15    4   23 o  168.575   13.758  531.198   76.658  451.495  128.348  575.398   95.579  157.736   23.022  179.414   15.073 -21.67764 27.51689 
1 1 1   15    4   25 o  120.495   16.962  259.520   70.628  159.358   92.307  400.967  109.693   92.118   26.762  148.871   20.847 -56.75363 33.92330 
1 1 1   15    4   27 o  107.429   18.970  226.928   73.698  288.008   99.351  152.200  109.893  123.629   23.598   91.228   29.708 32.40043 37.93989 
1 1 1   15    4   29 o   93.724   19.004  170.783   70.493  232.883   93.108   87.376  107.905  110.391   24.503   77.058   29.056 33.33338 38.00868 
1 1 1   15    4   31 o  119.913   17.594  303.724   65.693  342.361   77.389  204.085  124.277  137.616   15.911  102.209   31.385 35.40723 35.18774 
1 1 1   15    4   33 o  129.549   16.393  306.004   75.059  306.004   75.059   0.0000   0.0000  129.549   16.393  ?   ?       ?      ? 
1 1 1   15    4   35 o   75.729   14.790  120.286   40.869  140.107   48.353   70.707   76.473   85.798   16.545   65.659   24.520 20.13871 29.57929 
1 1 1   15    4   37 o   38.540   14.928   19.237   28.995   19.237   28.995   0.0000   0.0000   38.540   14.928  ?   ?       ?      ? 
1 1 1   15    5    0 o  914.476   23.471 14750.48  718.635 14416.80  880.089 15418.10  1244.87  900.382   27.655  928.570   37.931 -28.18750 46.94194 
1 1 1   15    5    2 o  852.618   18.128 12924.86  546.170 12606.69  772.428 13242.99  772.375  842.060   25.953  863.175   25.317 -21.11499 36.25634 
1 1 1   15    5    4 o  386.860   12.018  2653.85  164.149  2800.15  232.492  2508.43  231.793  397.526   16.547  376.194   17.433 21.33194 24.03561 
1 1 1   15    5    6 f  687.519   15.983  8400.71  388.335  8244.51  549.221  8556.88  549.157  681.092   22.815  693.947   22.390 -12.85547 31.96606 
1 1 1   15    5    8 o  165.760   14.496  509.771   78.127  550.014   95.830  430.006  134.915  176.144   15.393  155.375   24.567 20.76924 28.99119 
1 1 1   15    5   10 o   96.918   12.060  173.040   39.548  127.259   56.182  218.008   55.681   82.951   19.493  110.885   14.207 -27.93316 24.12084 
1 1 1   15    5   12 o  333.991   16.823  1997.26  198.290  1869.32  280.022  2125.94  280.827  323.128   24.519  344.855   23.040 -21.72733 33.64532 
1 1 1   15    5   14 o   89.660   13.747  151.027   41.946  126.743   68.155  165.834   53.218   82.777   22.642   96.543   15.596 -13.76544 27.49344 
1 1 1   15    5   16 o  182.007   13.341  590.683   81.974  598.436  138.463  586.499  101.714  182.608   21.453  181.407   15.864 1.201111 26.68158 
1 1 1   15    5   18 o   85.609   16.060  137.167   49.534  149.708   68.644  123.544   71.548   89.455   21.890   81.764   23.506 7.691071 32.11956 
1 1 1   15    5   20 o  140.014   21.766  353.788  107.712  353.788  107.712   0.0000   0.0000  140.014   21.766  ?   ?       ?      ? 
1 1 1   15    5   22 o  165.702   15.808  497.965   92.422  524.435  129.689  470.650  131.745  170.326   21.543  161.079   23.141 9.247620 31.61620 
1 1 1   15    5   24 f  295.775   16.860  1598.41  175.182  1797.55  247.962  1399.97  247.527  314.783   22.287  276.767   25.304 38.01584 33.71945 
1 1 1   15    5   26 o   75.961   15.105   66.137   46.110   2.8829   55.208  212.042   83.848   46.009   19.525  105.912   23.053 -59.90367 30.21077 
1 1 1   15    5   28 o   53.747   17.883   49.663   39.741   49.663   39.741   0.0000   0.0000   53.747   17.883  ?   ?       ?      ? 
1 1 1   15    5   30 f   98.257   13.370  162.124   44.360  101.556   55.029  274.529   74.965   73.409   20.449  123.105   17.229 -49.69674 26.73991 
1 1 1   15    5   32 o   71.644   14.139   81.790   34.583   59.099   40.466  143.262   66.603   57.046   17.974   86.242   21.830 -29.19526 28.27762 
1 1 1   15    5   34 o  111.964   17.245  232.099   57.241  221.690   64.557  270.374  123.790  109.786   16.637  114.142   30.212 -4.355667 34.48999 
1 1 1   15    5   36 o   53.862   15.081   38.671   35.021   39.899   38.438   32.671   84.965   48.869   17.521   58.855   24.551 -9.986252 30.16160 
1 1 1   15    6    1 o  795.582   17.667 11260.11  496.241 10652.44  701.831 11867.64  701.752  773.974   25.656  817.190   24.296 -43.21613 35.33455 
1 1 1   15    6    3 o  200.001   10.950  709.466   77.257  658.864  109.236  760.109  109.280  192.840   16.027  207.162   14.925 -14.32230 21.90003 
1 1 1   15    6    5 o   92.089   11.301  154.898   35.409  122.727   50.370  186.329   49.788   81.604   17.952  102.573   13.733 -20.96932 22.60219 
1 1 1   15    6    7 o  184.351   17.045  627.842  103.811  432.805  146.677  823.593  146.945  153.355   28.097  215.347   19.306 -61.99223 34.09021 
1 1 1   15    6    9 o  732.700   20.847  9879.75  501.113  8897.41  867.270 10372.08  613.977  702.542   34.927  762.858   22.771 -60.31561 41.69450 
1 1 1   15    6   11 o  182.376   13.374  594.495   81.466  585.443  139.790  599.151  100.249  181.089   21.841  183.662   15.443 -2.572159 26.74892 
1 1 1   15    6   13 o   74.814   14.728  102.123   40.904   79.477   57.037  126.104   58.692   67.230   21.356   82.397   20.288 -15.16678 29.45674 
1 1 1   15    6   15 o  238.770   16.066  1025.18  135.499  1060.10  190.997  989.786  192.258  242.950   22.243  234.590   23.188 8.359161 32.13108 
1 1 1   15    6   17 o  164.630   15.202  487.830   88.174  439.657  123.676  537.626  125.743  156.236   22.397  173.025   20.562 -16.78868 30.40374 
1 1 1   15    6   19 o  125.930   13.706  276.927   58.370  259.078   71.714  311.961  100.470  120.333   16.861  131.526   21.613 -11.19292 27.41188 
1 1 1   15    6   21 o   62.965   12.154   79.206   29.296  102.750   35.694   30.611   51.281   74.708   14.033   51.221   19.849 23.48685 24.30856 
1 1 1   15    6   23 o  133.661   14.016  334.068   59.740  348.268   73.174  305.687  103.449  139.579   14.833  127.744   23.787 11.83420 28.03297 
1 1 1   15    6   25 o  105.381   12.611  200.689   45.263  190.944   58.666  215.023   71.149  103.176   16.087  107.586   19.426 -4.409393 25.22230 
1 1 1   15    6   27 o   55.845   14.126   51.987   35.021   71.336   38.346 -45.2846   85.976   61.958   16.998   49.733   22.565 12.22570 28.25120 
1 1 1   15    6   29 f  211.147   15.578  803.025  116.259  803.025  116.259   0.0000   0.0000  211.147   15.578  ?   ?       ?      ? 
1 1 1   15    6   31 o  215.194   14.695  856.558  108.538  838.557  174.357  867.947  138.686  212.235   23.244  218.153   17.987 -5.918304 29.39019 
1 1 1   15    6   33 o   89.313   17.369  164.912   51.398  178.720   56.644  100.550  122.293   98.861   16.211   79.765   30.724 19.09578 34.73811 
1 1 1   15    6   35 o   66.329   17.488   53.937   38.677   44.124   41.176  127.504  112.740   51.116   18.154   81.543   29.895 -30.42718 34.97540 
1 1 1   15    6   37 o   65.058   15.410   8.3819   18.411   1.5320   18.683  238.327  108.246   26.811   11.367  103.305   28.647 -76.49406 30.81953 
1 1 1   15    7    0 o  202.103   14.890  727.125  105.393  853.955  150.958  606.518  147.208  219.412   19.466  184.794   22.538 34.61755 29.78095 
1 1 1   15    7    2 o  354.340   17.011  2225.66  213.047   0.0000   0.0000  2225.66  213.047  ?   ?   354.340   17.011      ?      ? 
1 1 1   15    7    4 o  421.135   15.288  3131.03  215.344  3216.04  372.408  3088.33  263.946  425.032   24.790  417.239   17.898 7.793640 30.57604 
1 1 1   15    7    8 o  520.047   19.612  4843.12  360.339  4683.95  509.473  5002.44  509.721  511.385   28.187  528.709   27.277 -17.32401 39.22442 
1 1 1   15    7   10 o   94.339   16.039  165.493   52.884  177.255   74.429  153.500   75.154   97.732   22.069   90.947   23.281 6.784393 32.07879 
1 1 1   15    7   12 o  173.932   15.396  541.908   94.506  506.690  133.299  577.501  134.006  168.179   22.425  179.686   21.100 -11.50684 30.79154 
1 1 1   15    7   14 o  190.236   15.450  651.071  103.406  578.038  145.774  725.042  146.707  179.313   23.001  201.158   20.634 -21.84471 30.90034 
1 1 1   15    7   16 o   94.843   14.646  162.678   46.068  150.336   57.074  185.754   78.041   90.045   18.550   99.641   22.670 -9.596283 29.29265 
1 1 1   15    7   18 o  145.712   13.517  373.808   66.473  357.456   81.785  405.637  114.103  141.408   16.364  150.015   21.520 -8.606155 27.03487 
1 1 1   15    7   20 o  333.258   11.773  1992.63  138.066  1770.36  194.308  2219.30  196.216  314.222   17.496  352.294   15.758 -38.07162 23.54626 
1 1 1   15    7   22 o  212.531   10.889  807.597   81.542  724.727  113.562  895.799  117.159  201.185   15.970  223.878   14.806 -22.69298 21.77794 
1 1 1   15    7   24 o  106.940   12.052  203.992   45.078  196.160   59.140  214.851   69.638  104.609   15.995  109.271   18.031 -4.661629 24.10327 
1 1 1   15    7   26 o  133.089   15.660  337.768   68.525  289.638  110.074  368.224   87.561  123.213   26.088  142.964   17.329 -19.75121 31.31909 
1 1 1   15    7   28 o   88.431   15.746  100.114   39.305   73.576   42.661  249.118  101.088   63.013   18.161  113.849   25.728 -50.83602 31.49169 
1 1 1   15    7   30 o  159.823   11.579  446.374   64.235  371.698   82.180  563.646  102.985  143.282   16.228  176.364   16.521 -33.08195 23.15782 
1 1 1   15    7   32 o  100.671   17.160  198.000   60.958  245.239   88.126  154.662   84.409  112.516   22.938   88.826   25.530 23.69058 34.32061 
1 1 1   15    7   34 o   50.990   14.129   34.164   32.977   36.682   37.480   25.534   69.392   47.811   17.281   54.169   22.357 -6.358677 28.25724 
1 1 1   15    8    1 o  344.185   23.954  2107.56  291.398   0.0000   0.0000  2107.56  291.398  ?   ?   344.185   23.954      ?      ? 
1 1 1   15    8    3 o  171.744   21.593  524.415  131.075   0.0000   0.0000  524.415  131.075  ?   ?   171.744   21.593      ?      ? 
1 1 1   15    8    5 o  678.266   31.876  8254.28  764.157   0.0000   0.0000  8254.28  764.157  ?   ?   678.266   31.876      ?      ? 
1 1 1   15    8    9 o  140.243   17.216  365.790   81.520  271.741  116.532  455.926  114.082  120.600   27.894  159.887   20.188 -39.28685 34.43275 
1 1 1   15    8   11 o  427.519   18.271  3289.93  276.086  3300.39  391.178  3279.54  389.714  428.194   25.847  426.844   25.832 1.349701 36.54268 
1 1 1   15    8   13 o  132.905   17.022  329.349   76.938  251.599  110.004  403.803  107.648  115.660   27.341  150.150   20.284 -34.48976 34.04386 
1 1 1   15    8   15 o  135.838   14.350  348.715   61.172  302.734  107.213  370.909   74.486  127.381   24.705  144.295   14.605 -16.91467 28.69918 
1 1 1   15    8   17 o   57.883   13.953   54.027   32.888   62.120   56.303   49.836   40.520   61.572   21.276   54.194   18.059 7.377800 27.90628 
1 1 1   15    8   19 o  113.396   15.121  242.547   56.229  216.292   94.204  257.078   70.082  106.956   25.314  119.837   16.546 -12.88078 30.24147 
1 1 1   15    8   21 o  171.549   13.790  535.360   79.194  513.519  134.106  547.055   98.132  168.284   22.547  174.815   15.882 -6.530975 27.57902 
1 1 1   15    8   23 o  229.421   14.696  996.165  110.206  823.920  186.590  1088.44  136.573  212.333   24.863  246.510   15.675 -34.17731 29.39169 
1 1 1   15    8   25 o  123.650   15.271  280.644   63.752  291.290  101.910  273.799   81.715  124.198   24.085  123.103   18.781 1.094986 30.54179 
1 1 1   15    8   27 o   74.332   18.132   95.672   54.107  104.131   62.564   70.575  107.765   74.767   22.122   73.896   28.735 0.8714066 36.26397 
1 1 1   15    8   29 o  108.167   20.052  245.873   78.957  295.819   96.655  145.686  136.892  124.842   22.743   91.491   33.033 33.35154 40.10480 
1 1 1   15    8   31 o  127.859   18.358  315.469   78.501  298.896  100.132  341.899  126.452  124.446   23.629  131.272   28.102 -6.826210 36.71628 
1 1 1   15    8   33 o   67.871   16.162   82.737   43.506   79.309   52.354   90.388   78.212   64.876   20.445   70.866   25.036 -5.990425 32.32322 
1 1 1   15    8   35 f   97.536   23.172  194.622   78.700  194.622   78.700   0.0000   0.0000   97.536   23.172  ?   ?       ?      ? 
1 1 1   15    9    0 o  310.118   23.369  1711.90  256.145   0.0000   0.0000  1711.90  256.145  ?   ?   310.118   23.369      ?      ? 
1 1 1   15    9    2 o  234.154   17.959  1000.04  144.061  726.092  205.128  1266.67  202.365  201.481   28.805  266.827   21.458 -65.34599 35.91900 
1 1 1   15    9    4 o  312.464   18.730  1781.94  200.576  1292.95  284.626  2264.32  282.697  268.475   29.995  356.454   22.439 -87.97922 37.45937 
1 1 1   15    9    6 o  111.804   23.919  231.788   91.659  231.788   91.659   0.0000   0.0000  111.804   23.919  ?   ?       ?      ? 
1 1 1   15    9    8 o  208.183   13.341  766.417   92.347  790.459  161.727  754.786  112.488  210.294   21.759  206.072   15.444 4.221191 26.68282 
1 1 1   15    9   10 o  351.050   15.516  2262.41  178.746  2055.42  309.995  2365.50  218.777  337.758   25.967  364.342   16.989 -26.58374 31.03127 
1 1 1   15    9   12 o   76.724   15.412  106.156   46.319  154.657   65.061   56.310   65.957   91.130   20.674   62.319   22.863 28.81175 30.82426 
1 1 1   15    9   14 o  159.154   15.268  453.865   85.411  524.349  124.676  391.531  117.246  170.874   20.644  147.434   22.500 23.43953 30.53535 
1 1 1   15    9   16 o  116.586   13.177  232.042   52.332  288.492   89.714  202.928   64.428  126.682   20.037  106.491   17.118 20.19072 26.35313 
1 1 1   15    9   18 o  139.468   16.674  359.261   80.020  331.168  115.084  385.556  111.341  132.826   25.440  146.110   21.560 -13.28389 33.34741 
1 1 1   15    9   20 o   49.433   13.664   24.186   36.510   50.259   43.757 -35.5680   66.241   54.987   18.765   43.878   19.868 11.10892 27.32891 
1 1 1   15    9   22 o   81.578   14.924  124.633   42.482  123.693   69.270  125.200   53.784   81.378   23.041   81.778   18.974 -0.4000320 29.84803 
1 1 1   15    9   24 o  100.619   16.079  190.710   55.551  199.878   83.648  183.476   74.303  102.644   23.556   98.594   21.893 4.050545 32.15871 
1 1 1   15    9   26 o  180.552   14.552  574.929   90.749  681.609  148.771  511.712  114.523  193.152   21.792  167.953   19.292 25.19955 29.10481 
1 1 1   15    9   28 o   50.363   13.402   33.812   33.661   53.238   41.820  -1.9280   56.724   55.309   18.342   45.417   19.545 9.892448 26.80355 
1 1 1   15    9   30 o   43.669   12.506   19.125   27.959   30.407   31.447 -23.4418   61.084   44.172   15.846   43.165   19.351 1.007103 25.01147 
1 1 1   15    9   32 o   72.151   14.927   85.723   38.813   58.542   46.436  148.732   70.701   57.384   19.332   86.918   22.749 -29.53343 29.85426 
1 1 1   15    9   34 o  131.125   20.928  367.520   90.624  371.933  109.065  357.677  162.875  138.036   22.355  124.214   35.387 13.82212 41.85682 
1 1 1   15   10    1 o  226.191   15.907  911.966  127.134  941.100  180.555  883.316  179.045  229.797   22.230  222.585   22.759 7.211487 31.81417 
1 1 1   15   10    3 o   98.910   24.565  181.750   85.486  181.750   85.486   0.0000   0.0000   98.910   24.565  ?   ?       ?      ? 
1 1 1   15   10    5 o  135.174   15.848  326.558   75.718  327.818  107.146  325.300  107.017  135.437   22.383  134.912   22.443 0.5251465 31.69677 
1 1 1   15   10    7 o  120.294   13.117  243.148   53.326  309.933   93.536  210.989   64.907  131.731   20.090  108.858   16.870 22.87301 26.23327 
1 1 1   15   10    9 o  184.597   16.401  674.201   91.823  486.937  159.685  766.708  112.234  161.645   29.016  207.549   15.300 -45.90384 32.80285 
1 1 1   15   10   11 o  102.998   16.483  199.201   61.276  119.351   88.013  274.313   85.362   82.220   26.572  123.777   19.512 -41.55700 32.96685 
1 1 1   15   10   13 o  121.529   15.337  263.396   65.877   0.0000   0.0000  263.396   65.877  ?   ?   121.529   15.337      ?      ? 
1 1 1   15   10   15 o   59.096   19.506   59.988   47.317   0.0000   0.0000   59.988   47.317  ?   ?    59.096   19.506      ?      ? 
1 1 1   15   10   17 o  241.070   13.447  1010.98  109.621  1159.74  189.335  935.961  134.447  253.502   21.131  228.638   16.637 24.86348 26.89497 
1 1 1   15   10   19 o   94.632   14.380  159.133   45.546  207.439   75.686  131.709   57.027  105.388   21.056   83.876   19.591 21.51177 28.76004 
1 1 1   15   10   21 o  160.293   14.091  460.251   76.650  477.079  128.596  450.978   95.461  162.090   22.447  158.495   17.041 3.594849 28.18226 
1 1 1   15   10   23 o  122.864   17.486  285.620   73.257  279.719  101.417  292.057  105.933  121.587   24.447  124.141   25.008 -2.554008 34.97216 
1 1 1   15   10   25 o   89.302   15.074  148.782   47.425  110.776   64.347  193.976   70.168   76.960   22.340  101.643   20.243 -24.68262 30.14706 
1 1 1   15   10   27 o   59.360   16.565   39.005   34.802   37.776   36.735   49.767  108.707   48.603   17.159   70.117   28.340 -21.51460 33.12992 
1 1 1   15   10   29 o   77.198   15.156  111.771   42.609   97.086   56.334  131.406   65.138   71.693   20.929   82.702   21.928 -11.00890 30.31249 
1 1 1   15   10   31 o  107.444   15.091  219.802   56.157  177.635   77.230  267.110   81.803   95.008   23.200  119.880   19.306 -24.87148 30.18225 
1 1 1   15   10   33 o   97.111   19.969  151.311   58.094  122.121   63.509  300.911  143.776   78.186   22.036  116.036   33.310 -37.85004 39.93899 
1 1 1   15   10   35 o  131.250   23.913  357.482  106.845  357.482  106.845   0.0000   0.0000  131.250   23.913  ?   ?       ?      ? 
1 1 1   15   11    0 o  479.886   19.155  4133.56  324.688  3968.39  459.477  4298.30  458.879  470.156   27.650  489.616   26.517 -19.46057 38.31046 
1 1 1   15   11    2 o  101.116   16.859  191.045   59.439  167.012   85.296  213.733   82.876   94.846   25.066  107.385   22.553 -12.53877 33.71863 
1 1 1   15   11    4 o  159.227   15.702  453.706   88.366  455.083  125.654  452.359  124.294  159.458   22.295  158.996   22.118 0.4621277 31.40488 
1 1 1   15   11    6 o  308.590   16.731  1712.23  182.119  1837.67  257.830  1587.32  257.280  320.061   22.792  297.119   24.499 22.94208 33.46176 
1 1 1   15   11    8 o   48.327   12.004   24.276   27.415  -4.7965   35.482   67.340   43.184   35.503   15.367   61.152   18.444 -25.64896 24.00716 
1 1 1   15   11   10 o   80.126   14.108  131.275   42.660   43.675   74.981  173.201   51.873   61.646   23.970   98.606   14.884 -36.95907 28.21501 
1 1 1   15   11   12 o  215.287   14.304  832.415  102.599  832.885  177.470  832.179  125.741  214.747   23.382  215.827   16.484 -1.079330 28.60796 
1 1 1   15   11   14 o   48.251   12.372   33.681   26.757   40.288   42.446   29.324   34.468   51.371   18.412   45.132   16.532 6.238560 24.74495 
1 1 1   15   11   16 o  228.857   16.582  937.800  134.131   0.0000   0.0000  937.800  134.131  ?   ?   228.857   16.582      ?      ? 
1 1 1   15   11   18 o   93.651   14.494  168.274   45.921  135.418   76.400  186.858   57.459   85.137   24.230  102.165   15.912 -17.02774 28.98779 
1 1 1   15   11   20 o  101.469   14.724  174.734   51.108  271.042   85.435  121.062   63.779  122.544   19.725   80.394   21.867 42.14988 29.44883 
1 1 1   15   11   22 o   73.951   14.814   89.761   44.297  167.512   67.498   30.941   58.708   94.344   20.802   53.558   21.097 40.78579 29.62757 
1 1 1   15   11   24 o  235.208   13.888  1049.71  108.088  852.830  177.512  1165.71  136.260  215.618   23.293  254.798   15.131 -39.17955 27.77566 
1 1 1   15   11   26 o  228.007   18.324  984.040  144.926  1075.81  194.099  868.422  217.866  241.589   22.731  214.424   28.747 27.16510 36.64857 
1 1 1   15   11   28 o   45.705   12.231   3.2968   16.050  -2.5744   16.641   81.570   60.761   24.154   10.490   67.256   22.100 -43.10225 24.46268 
1 1 1   15   11   30 o   57.186   12.728   41.298   26.047   22.907   29.575  104.870   54.987   40.570   15.229   73.803   20.399 -33.23315 25.45699 
1 1 1   15   11   32 o   96.139   17.050  188.427   57.911  201.531   79.407  173.539   84.640  100.229   22.914   92.050   25.254 8.178635 34.10033 
1 1 1   15   11   34 o   53.501   17.003   14.149   22.029   12.711   22.293   73.704  143.444   33.119   13.015   73.884   31.418 -40.76542 34.00696 
1 1 1   15   12    1 o  315.300   15.536  1768.33  173.130   0.0000   0.0000  1768.33  173.130  ?   ?   315.300   15.536      ?      ? 
1 1 1   15   12    3 o  146.344   12.471  387.810   59.884  365.713  105.075  398.439   72.877  142.950   20.797  149.737   13.770 -6.787247 24.94246 
1 1 1   15   12    5 o   95.091   15.550  163.806   54.924   82.161   75.901  253.553   79.578   71.081   24.694  119.102   18.904 -48.02090 31.09944 
1 1 1   15   12    7 o  205.398   16.056  759.306  116.500  778.278  163.720  739.847  165.811  208.068   22.263  202.727   23.141 5.340576 32.11113 
1 1 1   15   12    9 o  124.948   16.267  293.243   68.623  160.789   94.687  439.784   99.595   93.107   27.120  156.789   17.972 -63.68208 32.53484 
1 1 1   15   12   11 o  329.913   16.619  1974.38  192.331  1690.16  270.284  2265.93  273.745  305.272   25.050  354.553   21.845 -49.28168 33.23711 
1 1 1   15   12   13 o   97.129   16.765  177.501   56.917  176.913   77.382  178.193   84.012   97.015   22.930   97.243   24.465 -0.2276382 33.53056 
1 1 1   15   12   15 o  136.205   15.899  339.415   74.579  385.074  108.693  298.796  102.520  146.042   21.057  126.368   23.827 19.67387 31.79867 
1 1 1   15   12   17 o  112.091   13.733  223.272   51.170  254.788   86.731  206.445   63.376  116.876   21.798  107.307   16.710 9.569473 27.46552 
1 1 1   15   12   19 o   57.549   13.991   53.304   35.279   32.798   50.582   72.728   49.230   51.511   19.780   63.588   19.791 -12.07648 27.98117 
1 1 1   15   12   21 o   87.909   14.766  146.902   45.306  127.315   66.400  163.964   61.974   82.229   22.289   93.590   19.374 -11.36109 29.53182 
1 1 1   15   12   23 o   52.214   13.250   41.202   30.070   37.680   37.438   47.606   50.480   48.861   17.315   55.568   20.060 -6.706642 26.49907 
1 1 1   15   12   25 o  236.648   14.243  1058.27  112.480  900.005  184.305  1152.20  141.989  220.600   23.638  252.696   15.898 -32.09619 28.48669 
1 1 1   15   12   27 o  183.099   14.429  617.440   91.327  617.421  144.769  617.453  117.704  182.309   22.467  183.889   18.110 -1.578979 28.85721 
1 1 1   15   12   29 o   82.041   19.083  123.595   56.261  123.556   63.016  123.752  124.903   79.805   21.747   84.276   31.363 -4.470482 38.16513 
1 1 1   15   12   31 o   38.261   11.465   10.784   21.897   16.676   23.732 -22.9658   56.799   35.592   13.577   40.930   18.478 -5.338230 22.92922 
1 1 1   15   12   33 o   79.530   18.669  141.592   66.438  180.522   75.018   0.0056  143.065   93.460   22.892   65.600   29.496 27.86034 37.33710 
1 1 1   15   13    0 o  520.550   16.084  4882.60  278.119  4817.57  482.139  4915.04  340.476  516.496   26.411  524.605   18.363 -8.109619 32.16716 
1 1 1   15   13    2 o   76.959   14.317  110.979   38.243  100.836   65.916  116.124   46.952   74.753   22.841   79.166   17.267 -4.412643 28.63307 
1 1 1   15   13    4 o  294.075   16.515  1557.82  171.480  1469.95  241.295  1647.48  243.742  285.564   23.907  302.587   22.791 -17.02319 33.02982 
1 1 1   15   13    6 o  191.204   15.924  658.182  107.596  643.025  150.800  673.901  153.566  188.952   22.580  193.455   22.459 -4.502563 31.84779 
1 1 1   15   13    8 o  272.557   14.061  1317.08  128.455  1387.06  222.276  1281.99  157.401  277.276   22.681  267.838   16.627 9.438293 28.12258 
1 1 1   15   13   10 o  253.860   16.089  1164.32  144.190  1089.98  201.818  1241.83  206.078  245.458   23.263  262.262   22.232 -16.80336 32.17789 
1 1 1   15   13   12 o   48.706   12.890   28.333   32.331   54.323   40.632 -16.5245   53.380   55.819   18.056   41.594   18.401 14.22507 25.78032 
1 1 1   15   13   14 o  108.139   22.960  219.673   85.041  219.673   85.041   0.0000   0.0000  108.139   22.960  ?   ?       ?      ? 
1 1 1   15   13   18 o  192.699   13.695  672.547   89.285  661.168  148.829  678.944  111.597  190.827   22.066  194.570   16.228 -3.743576 27.39072 
1 1 1   15   13   20 o  120.687   14.269  269.760   57.984  259.374   91.272  276.788   75.082  117.377   22.822  123.998   17.132 -6.621513 28.53699 
1 1 1   15   13   22 o   70.408   14.911   84.876   40.580   55.065   52.566  128.851   63.843   58.294   20.532   82.522   21.627 -24.22773 29.82112 
1 1 1   15   13   24 o   81.257   16.334  121.958   48.837  101.960   63.920  150.004   75.695   74.003   22.466   88.510   23.717 -14.50797 32.66843 
1 1 1   15   13   26 o   45.144   12.397   22.451   24.971   18.836   28.655   33.862   50.910   38.846   14.895   51.441   19.821 -12.59507 24.79320 
1 1 1   15   13   28 o   52.977   13.870   41.040   36.374   64.538   44.547  -5.9622   63.005   59.329   18.876   46.626   20.328 12.70245 27.74090 
1 1 1   15   13   30 o   51.138   22.055   4.7305   72.549   0.0000   0.0000   4.7305   72.549  ?   ?    51.138   22.055      ?      ? 
1 1 1   15   14    1 o  233.941   16.016  985.350  132.370  947.280  186.327  1024.14  188.084  229.314   22.989  238.568   22.306 -9.254517 32.03214 
1 1 1   15   14    3 f   78.189   15.951  111.434   48.749  154.720   67.663   64.716   70.295   90.988   21.399   65.389   23.661 25.59819 31.90282 
1 1 1   15   14    5 o   46.778   11.307   36.415   23.417   4.8804   42.255   50.392   28.131   41.131   17.247   52.425   14.627 -11.29330 22.61491 
1 1 1   15   14    7 o  276.948   15.667  1394.99  143.987  1351.79  248.763  1416.76  176.571  272.669   25.812  281.226   17.764 -8.557617 31.33440 
1 1 1   15   14    9 o  221.920   14.152  901.498  103.777  841.561  178.943  931.873  127.387  215.509   23.493  228.331   15.785 -12.82143 28.30306 
1 1 1   15   14   11 o  237.620   14.599  1032.79  114.775  975.917  198.050  1061.55  140.836  231.730   24.181  243.511   16.363 -11.78146 29.19731 
1 1 1   15   14   13 o   76.478   12.278   87.979   35.398  195.475   59.707   29.718   43.956  104.475   16.169   48.482   18.481 55.99312 24.55615 
1 1 1   15   14   15 o   92.411   17.146  164.533   59.317  221.046   80.236   96.422   88.086  108.675   21.649   76.148   26.595 32.52763 34.29240 
1 1 1   15   14   17 o  110.106   29.203  232.896  115.509   0.0000   0.0000  232.896  115.509  ?   ?   110.106   29.203      ?      ? 
1 1 1   15   14   19 o  293.279   18.060  1594.76  185.833  1726.77  255.943  1447.58  270.255  307.081   23.581  279.478   27.359 27.60309 36.11959 
1 1 1   15   14   21 o  208.808   16.311  765.537  117.694  626.333  149.048  996.093  191.818  184.778   22.822  232.838   23.309 -48.06053 32.62115 
1 1 1   15   14   23 o   60.971   17.697   25.361   30.395   22.001   31.223   86.239  132.887   41.108   15.599   80.833   31.772 -39.72500 35.39481 
1 1 1   15   14   25 o  122.695   24.049  290.186  100.561   0.0000   0.0000  290.186  100.561  ?   ?   122.695   24.049      ?      ? 
1 1 1   15   14   27 o   87.642   25.646  151.477   84.498   0.0000   0.0000  151.477   84.498  ?   ?    87.642   25.646      ?      ? 
1 1 1   15   14   29 o  127.988   26.630  335.460  116.544   0.0000   0.0000  335.460  116.544  ?   ?   127.988   26.630      ?      ? 
1 1 1   15   14   31 o   61.885   19.707   74.371   48.544   74.371   48.544   0.0000   0.0000   61.885   19.707  ?   ?       ?      ? 
1 1 1   15   15    0 o  128.226   17.405  313.513   76.052  427.322  106.708  196.026  108.419  154.299   19.566  102.153   28.792 52.14565 34.81092 
1 1 1   15   15    2 o  108.879   17.281  223.999   64.759  237.708   88.101  207.886   95.513  112.803   22.880  104.956   25.905 7.847351 34.56222 
1 1 1   15   15    4 o  293.265   16.542  1557.65  171.106  1436.28  240.860  1681.31  243.116  281.478   24.210  305.052   22.549 -23.57346 33.08438 
1 1 1   15   15    6 o  144.528   10.230  343.694   50.135  493.636   86.850  268.761   61.397  166.299   14.776  122.757   14.151 43.54150 20.45920 
1 1 1   15   15    8 o  219.863   13.326  843.302   98.950  955.069  171.013  787.051  121.321  230.038   21.033  209.689   16.370 20.34921 26.65276 
1 1 1   15   15   10 o  202.039   12.960  715.450   88.414  794.625  152.308  675.211  108.581  209.831   20.537  194.247   15.815 15.58365 25.92077 
1 1 1   15   15   12 o  248.599   13.972  1070.11  117.713  1271.38  203.376  968.717  144.349  264.952   21.718  232.246   17.585 32.70651 27.94447 
1 1 1   15   15   14 o   71.191   13.991   91.396   35.475  106.684   58.809   82.650   44.480   75.665   21.162   66.718   18.309 8.947197 27.98290 
1 1 1   15   15   16 o   38.201   10.606   13.170   21.188   25.708   31.564   2.8864   28.586   42.697   15.791   33.705   14.163 8.991337 21.21135 
1 1 1   15   15   18 f   95.933   15.052  170.417   49.685  214.418   75.257  136.422   66.150  106.945   20.658   84.922   21.898 22.02293 30.10394 
1 1 1   15   15   20 o   43.607   21.143 -161.7110  101.295   0.0000   0.0000 -161.7110  101.295  ?   ?    43.607   21.143      ?      ? 
1 1 1   15   15   26 o   93.786   17.091  174.383   56.677  178.602   74.730  168.671   86.958   95.509   22.507   92.063   25.728 3.445724 34.18292 
1 1 1   15   15   28 o   44.719   10.796   33.687   20.272   40.664   31.536   28.775   26.463   47.819   15.931   41.620   14.574 6.198624 21.59212 
1 1 1   15   15   30 o   60.099   19.310   69.631   46.528   69.631   46.528   0.0000   0.0000   60.099   19.310  ?   ?       ?      ? 
1 1 1   15   16    1 o  269.929   16.745  1323.85  159.250  1433.23  224.229  1212.52  226.210  281.526   22.535  258.332   24.775 23.19400 33.49054 
1 1 1   15   16    3 o  423.424   18.989  3290.52  282.189  3716.39  398.414  2861.81  399.742  451.999   24.939  394.849   28.644 57.14975 37.97899 
1 1 1   15   16    5 o  178.508   17.360  597.459  103.465  751.637  145.715  440.687  146.935  204.218   20.188  152.799   28.248 51.41949 34.72012 
1 1 1   15   16    7 o  296.849   17.627  1625.70  181.317  1976.36  255.843  1271.85  257.003  330.444   21.906  263.255   27.621 67.18848 35.25315 
1 1 1   15   16    9 o   43.613   11.265   27.562   22.297   27.993   35.183   27.273   28.824   44.867   16.656   42.359   15.173 2.508389 22.53097 
1 1 1   15   16   11 o  225.155   15.755  924.848  124.167  1072.73  176.072  778.539  175.130  243.623   20.448  206.687   23.973 36.93665 31.50936 
1 1 1   15   16   15 o  256.331   25.347  1208.82  229.642   0.0000   0.0000  1208.82  229.642  ?   ?   256.331   25.347      ?      ? 
1 1 1   15   16   17 o   70.924   21.718   92.370   59.557   0.0000   0.0000   92.370   59.557  ?   ?    70.924   21.718      ?      ? 
1 1 1   15   16   19 o  210.431   23.004  815.507  171.090   0.0000   0.0000  815.507  171.090  ?   ?   210.431   23.004      ?      ? 
1 1 1   15   16   21 o   95.707   15.298  171.102   50.729  129.097   67.510  225.581   76.884   82.197   22.555  109.216   20.674 -27.01865 30.59698 
1 1 1   15   16   23 o  193.501   17.189  675.786  113.755  594.098  141.007  828.043  192.507  178.398   22.363  208.604   26.110 -30.20654 34.37768 
1 1 1   15   16   25 o   39.242   14.729   21.451   27.661   21.451   27.661   0.0000   0.0000   39.242   14.729  ?   ?       ?      ? 
1 1 1   15   16   27 o   84.058   15.357  141.226   46.330  164.829   65.725  117.916   65.317   91.211   20.843   76.904   22.561 14.30772 30.71495 
1 1 1   15   16   29 o   30.445   8.5352   9.5864   13.736   13.178   19.510   6.0563   19.341   31.959   12.282   28.931   11.856 3.027628 17.07044 
1 1 1   15   17    0 o  317.110   17.723  1850.41  195.411  2215.55  275.849  1482.59  276.858  349.825   22.310  284.395   27.543 65.43051 35.44530 
1 1 1   15   17    2 o  151.067   15.914  414.228   84.815  436.297  118.879  391.348  121.044  155.311   21.656  146.824   23.325 8.487396 31.82855 
1 1 1   15   17    4 o  178.444   15.587  567.671   97.368  473.796  129.526  689.644  147.643  161.621   22.675  195.267   21.393 -33.64587 31.17347 
1 1 1   15   17    6 o  170.354   17.031  530.870  101.392  546.187  134.992  511.046  153.580  173.604   22.000  167.104   26.003 6.499847 34.06137 
1 1 1   15   17    8 o  272.158   25.117  1353.89  241.609   0.0000   0.0000  1353.89  241.609  ?   ?   272.158   25.117      ?      ? 
1 1 1   15   17   10 o  153.905   28.076  449.312  147.095   0.0000   0.0000  449.312  147.095  ?   ?   153.905   28.076      ?      ? 
1 1 1   15   17   12 f  231.539   13.833  958.724  113.207   0.0000   0.0000  958.724  113.207  ?   ?   231.539   13.833      ?      ? 
1 1 1   15   17   14 o  266.084   14.946  1270.01  140.564   0.0000   0.0000  1270.01  140.564  ?   ?   266.084   14.946      ?      ? 
1 1 1   15   17   16 o   93.159   12.649  156.017   38.725  172.336   67.339  147.953   47.336   95.549   20.550   90.770   14.755 4.778580 25.29826 
1 1 1   15   17   18 o   95.683   15.568  165.116   52.649   0.0000   0.0000  165.116   52.649  ?   ?    95.683   15.568      ?      ? 
1 1 1   15   17   20 o   92.449   12.777  154.501   38.380  181.371   67.166  141.475   46.767   97.738   20.114   87.160   15.761 10.57761 25.55358 
1 1 1   15   17   22 o  146.582   12.317  377.713   59.174  436.715  108.920  353.005   70.484  153.530   20.072  139.634   14.282 13.89644 24.63437 
1 1 1   15   17   24 o   52.048   13.456   42.698   32.894   56.941   41.452   18.476   54.055   55.976   18.247   48.121   19.782 7.854237 26.91196 
1 1 1   15   17   26 o   95.389   22.856  184.079   76.050  184.079   76.050   0.0000   0.0000   95.389   22.856  ?   ?       ?      ? 
1 1 1   15   17   28 o   41.579   14.036   7.5470   18.896   10.355   19.071 -143.8977  140.064   30.494   12.020   52.664   25.369 -22.16988 28.07221 
1 1 1   15   18    1 o  411.021   18.112  3087.49  263.001  2965.86  367.866  3214.67  376.152  402.616   25.851  419.425   25.374 -16.80966 36.22314 
1 1 1   15   18    3 o  233.956   15.367  979.611  127.070   0.0000   0.0000  979.611  127.070  ?   ?   233.956   15.367      ?      ? 
1 1 1   15   18    5 f  440.350   15.192  3470.56  236.444   0.0000   0.0000  3470.56  236.444  ?   ?   440.350   15.192      ?      ? 
1 1 1   15   18    7 o  165.897   21.726  499.800  127.392   0.0000   0.0000  499.800  127.392  ?   ?   165.897   21.726      ?      ? 
1 1 1   15   18    9 o   88.149   21.798  146.811   67.532   0.0000   0.0000  146.811   67.532  ?   ?    88.149   21.798      ?      ? 
1 1 1   15   18   11 o  251.794   15.905  1159.42  141.200  1254.43  200.186  1065.34  199.191  262.397   21.585  241.191   23.366 21.20590 31.81027 
1 1 1   15   18   13 o  195.434   10.885  645.002   69.230  794.377  130.829  586.906   81.589  209.683   17.653  181.186   12.741 28.49776 21.77050 
1 1 1   15   18   15 o   91.408   12.199  154.120   35.581  153.502   64.204  154.393   42.746   89.975   20.630   92.840   13.027 -2.864769 24.39822 
1 1 1   15   18   17 o  151.311   11.343  391.672   56.085  473.915  104.811  358.675   66.389  161.292   18.385  141.330   13.290 19.96130 22.68618 
1 1 1   15   18   19 o  128.723   12.859  297.992   58.503   0.0000   0.0000  297.992   58.503  ?   ?   128.723   12.859      ?      ? 
1 1 1   15   18   21 o   76.695   12.317  117.266   32.359   83.444   54.563  135.615   40.190   66.760   20.845   86.631   13.126 -19.87135 24.63339 
1 1 1   15   18   23 o   95.840   14.695  178.305   48.088  194.540   72.709  165.681   64.114   99.562   21.306   92.119   20.244 7.443207 29.38980 
1 1 1   15   18   25 o   48.295   11.846   39.062   24.624   51.378   37.829   30.007   32.438   52.867   17.441   43.724   16.035 9.142773 23.69152 
1 1 1   15   19    2 o  217.083   22.278  857.086  170.932   0.0000   0.0000  857.086  170.932  ?   ?   217.083   22.278      ?      ? 
1 1 1   15   19    4 o  162.553   15.040  498.188   79.567  684.125  113.671  319.567  111.412  195.132   16.482  129.973   25.162 65.15964 30.07932 
1 1 1   15   19    6 o  162.945   15.021  483.422   86.148  537.716  122.644  430.544  121.035  172.218   20.149  153.671   22.284 18.54736 30.04266 
1 1 1   15   19    8 o  376.809   14.301  2486.02  183.355  2918.73  313.109  2260.20  226.195  399.860   22.155  353.758   18.091 46.10223 28.60262 
1 1 1   15   19   10 o  132.219   12.350  303.983   56.238  422.009   88.677  224.574   72.737  153.064   16.391  111.374   18.478 41.69003 24.70032 
1 1 1   15   19   12 o  202.534   13.017  744.028   90.138  744.572  147.250  743.702  113.992  201.922   20.633  203.146   15.876 -1.223633 26.03366 
1 1 1   15   19   14 o  116.727   13.698  245.131   53.467  359.659   82.848  163.383   69.994  140.960   16.629   92.493   21.772 48.46767 27.39616 
1 1 1   15   19   16 o  112.761   12.725  217.631   47.493  273.868   87.090  193.828   56.659  122.027   20.193  103.495   15.489 18.53193 25.44912 
1 1 1   15   19   18 o   11.803   4.0666  -6.2554   3.7846  -4.5427   4.0786 -16.8652   10.151   9.7378   4.5865   13.868   6.7165 -4.129796 8.133126 
1 1 1   15   19   20 o  114.456   13.103  243.425   47.216  253.930   86.454  238.960   56.364  114.230   22.213  114.683   13.905 -0.4532471 26.20666 
1 1 1   15   19   22 o   49.042   11.601   41.419   23.373   51.667   36.760   34.464   30.283   53.067   17.175   45.018   15.601 8.049511 23.20283 
1 1 1   15   19   24 o  132.527   13.031  321.995   56.660  373.239  103.781  300.234   67.629  138.096   21.263  126.959   15.071 11.13631 26.06225 
1 1 1   15   20    1 o  271.184   15.856  1351.61  149.940  1604.74  212.697  1101.55  211.405  297.407   20.234  244.961   24.417 52.44589 31.71172 
1 1 1   15   20    3 o   87.698   15.204  145.747   46.384  142.054   71.529  148.428   60.932   86.598   22.987   88.799   19.906 -2.201775 30.40801 
1 1 1   15   20    5 f  151.528   15.813  412.854   84.692   0.0000   0.0000  412.854   84.692  ?   ?   151.528   15.813      ?      ? 
1 1 1   15   20    7 f  183.571   12.405  608.187   78.149  612.600  126.719  605.478   99.275  183.621   19.525  183.521   15.305 0.1004486 24.80902 
1 1 1   15   20    9 o  265.768   15.914  1308.27  147.339  1559.19  208.948  1060.12  207.794  292.304   20.225  239.232   24.575 53.07190 31.82724 
1 1 1   15   20   11 o  182.233   14.893  621.214   92.331  815.118  131.382  431.996  129.785  211.934   17.539  152.531   24.074 59.40260 29.78548 
1 1 1   15   20   13 o   81.210   13.132  122.652   37.392  169.562   55.769   84.342   50.398   95.243   17.200   67.176   19.849 28.06653 26.26419 
1 1 1   15   20   15 o   62.024   12.718   69.940   30.049   94.222   44.583   49.727   40.676   70.436   17.878   53.612   18.094 16.82467 25.43607 
1 1 1   15   20   17 o  136.481   20.971  394.845   96.284  444.798  119.643  303.034  162.202  153.752   22.017  119.211   35.699 34.54094 41.94199 
1 1 1   15   20   19 o   33.758   12.762   15.304   20.848   0.0000   0.0000   15.304   20.848  ?   ?    33.758   12.762      ?      ? 
1 1 1   15   20   21 o   41.010   10.468   18.820   20.363   48.211   32.733   0.2642   26.008   50.992   16.176   31.029   13.291 19.96336 20.93579 
1 1 1   15   20   23 o   28.376   7.5928   7.4214   11.024  -2.4254   14.652   20.264   16.734   22.446   9.7941   34.307   11.605 -11.86139 15.18553 
1 1 1   15   21    0 o  277.970   19.062  1461.44  183.629  1636.00  248.025  1249.68  273.174  298.318   23.523  257.623   30.001 40.69473 38.12346 
1 1 1   15   21    2 f   68.236   13.262   86.633   32.795   91.781   49.498   82.605   43.784   70.002   19.357   66.470   18.133 3.532066 26.52357 
1 1 1   15   21    4 o   45.644   11.793   30.797   24.825   26.416   36.368   34.618   33.970   44.593   16.856   46.694   16.499 -2.101311 23.58673 
1 1 1   15   21    6 o  160.429   14.320  459.715   79.569  524.435  128.753  419.723  101.210  168.998   21.555  151.859   18.856 17.13870 28.63917 
1 1 1   15   21    8 o   65.688   14.286   78.392   36.434   92.237   54.014   66.834   49.353   70.169   20.496   61.207   19.908 8.962120 28.57291 
1 1 1   15   21   10 o  181.227   13.126  574.889   82.282  753.749  133.077  464.187  104.694  203.092   18.539  159.363   18.587 43.72838 26.25226 
1 1 1   15   21   12 o  171.105   12.578  526.745   75.046  589.584  118.298  484.425   97.082  179.204   18.677  163.006   16.850 16.19754 25.15502 
1 1 1   15   21   14 o   16.198   5.1533  -1.3028   4.5213  -5.0315   11.914  -0.6754   4.8869   19.207   8.5829   13.190   5.7062 6.016892 10.30662 
1 1 1   15   21   16 o  172.791   14.187  542.373   85.042  662.416  137.298  467.650  108.324  187.457   20.723  158.125   19.382 29.33118 28.37411 
1 1 1   15   21   18 o   59.118   13.247   65.902   31.077   61.808   45.408   69.509   42.624   57.874   19.109   60.362   18.351 -2.487759 26.49339 
1 1 1   15   21   20 o  109.514   13.675  221.294   52.932   0.0000   0.0000  221.294   52.932  ?   ?   109.514   13.675      ?      ? 
1 1 1   15   22    1 o   87.703   18.979  156.187   67.468  197.569   78.979   44.445  129.780  101.648   22.571   73.759   30.519 27.88984 37.95881 
1 1 1   15   22    3 o   49.874   14.608   23.738   37.201   46.029   38.898 -215.1149  127.327   52.070   17.693   47.679   23.250 4.390938 29.21625 
1 1 1   15   22    5 o  147.626   20.327  437.677   99.009  477.722  124.549  368.925  163.196  160.702   21.928  134.551   34.233 26.15048 40.65424 
1 1 1   15   22    7 o  155.671   13.136  439.696   70.959  465.219  112.743  422.953   91.314  158.921   20.072  152.421   16.950 6.500793 26.27137 
1 1 1   15   22    9 o   98.134   15.019  182.065   50.270  213.535   77.087  158.781   66.309  105.476   21.410   90.793   21.070 14.68292 30.03849 
1 1 1   15   22   11 o  170.690   12.932  537.490   76.014  537.746  121.780  537.326   97.295  169.896   20.280  171.484   16.053 -1.587860 25.86452 
1 1 1   15   22   13 f   47.637   12.015   35.484   25.951   48.962   37.355   22.911   36.079   52.374   17.334   42.901   16.642 9.472794 24.02934 
1 1 1   15   22   15 o  139.568   14.094  363.713   68.461  403.775  108.520  337.227   88.236  145.251   21.138  133.885   18.646 11.36562 28.18708 
1 1 1   15   22   17 o   42.769   11.067   28.621   21.953   22.953   31.927   33.704   30.233   41.028   15.724   44.510   15.579 -3.482288 22.13460 
1 1 1   15   22   19 o   50.508   12.614   44.856   28.236   51.404   38.943   37.598   40.998   52.673   17.704   48.343   17.973 4.330276 25.22833 
1 1 1   15   23    0 o   34.070   9.5520   11.418   17.152   13.839   24.145   8.9518   24.370   34.917   13.595   33.222   13.422 1.694916 19.10392 
1 1 1   15   23    2 o   99.798   15.020  188.290   51.137  219.617   77.487  164.118   68.065  107.209   21.200   92.387   21.283 14.82146 30.04012 
1 1 1   15   23    4 o   89.505   15.313  155.508   47.759  147.397   71.778  161.951   63.976   87.098   22.983   91.911   20.241 -4.813385 30.62507 
1 1 1   15   23    6 o  157.056   20.632  507.890  106.674  564.498  135.943  417.180  172.087  173.384   22.183  140.728   34.794 32.65584 41.26413 
1 1 1   15   23    8 o  136.021   22.038  349.447  105.947  349.447  105.947   0.0000   0.0000  136.021   22.038  ?   ?       ?      ? 
1 1 1   15   23   10 o   68.977   18.317   70.066   44.347   67.686   47.223   87.836  129.057   60.422   19.457   77.533   31.039 -17.11021 36.63376 
1 1 1   15   23   12 o   44.687   13.910   14.985   26.545   21.364   27.415 -80.7723  106.224   38.926   14.652   50.448   23.648 -11.52149 27.81965 
1 1 1   15   23   14 o   57.640   11.597   59.273   26.552   98.713   39.757   27.517   35.675   71.423   16.130   43.857   16.666 27.56599 23.19347 
1 1 1   15   23   16 o   36.893   9.6373   20.140   16.601   25.238   24.791   15.996   22.354   39.310   14.073   34.476   13.171 4.834068 19.27464 
1 1 1   15   24    1 f  109.982   14.205  238.739   52.034  183.734   80.259  278.624   68.344   96.484   23.705  123.481   15.660 -26.99715 28.41080 
1 1 1   15   24    3 f   45.143   16.463   31.387   34.127   0.0000   0.0000   31.387   34.127  ?   ?    45.143   16.463      ?      ? 
1 1 1   15   24    5 o  168.912   13.610  527.550   79.422  567.167  128.166  502.853  101.195  173.114   20.947  164.710   17.383 8.403397 27.21998 
1 1 1   15   24    7 o   92.540   14.862  167.122   47.180  184.482   72.007  154.063   62.454   96.539   21.639   88.541   20.380 7.998924 29.72475 
1 1 1   15   24    9 o  150.490   13.888  428.241   72.704  450.548  114.324  413.094   94.209  152.880   21.158  148.101   17.997 4.778214 27.77693 
1 1 1   15   24   11 o   32.242   11.157   0.5024   13.109   3.6886   13.214 -198.0766  104.317   23.868   9.7924   40.616   20.051 -16.74785 22.31471 
1 1 1   15   24   13 o   91.649   32.420  191.956  131.189   0.0000   0.0000  191.956  131.189  ?   ?    91.649   32.420      ?      ? 
1 1 1   15   25    0 o   56.111   12.541   52.791   30.334   92.349   44.155   17.438   41.743   68.998   17.939   43.225   17.530 25.77266 25.08177 
1 1 1   15   25    2 o   47.283   11.680   36.087   24.866   53.401   35.283   19.001   35.049   53.509   16.771   41.056   16.260 12.45309 23.35947 
1 1 1   15   25    4 o   85.946   14.045  146.863   41.714  137.911   62.073  154.235   56.330   83.017   21.108   88.875   18.533 -5.858498 28.08917 
1 1 1   15   25    6 o   39.434   10.560   21.695   20.312   26.669   28.648   16.667   28.805   41.252   15.078   37.617   14.790 3.634342 21.12098 
1 1 1   15   25    8 o   79.064   19.523  125.285   54.231   0.0000   0.0000  125.285   54.231  ?   ?    79.064   19.523      ?      ? 
1 1 1   15   26    1 o   91.668   15.995  169.806   51.691  214.838   78.229  134.907   68.867  102.555   22.224   80.781   23.009 21.77431 31.98941 
1 1 1   15   26    3 o   95.175   22.019  186.234   72.597   0.0000   0.0000  186.234   72.597  ?   ?    95.175   22.019      ?      ? 
1 1 1   16    0    0 o  220.326   11.455  872.622  124.589  872.622  124.589  872.622  124.589  220.326   16.200  220.326   16.200 -0.000000 0.000000 
1 1 1   16    0    2 o  686.383   16.006  8372.40  547.773  8372.40  547.773  8372.40  547.773  686.383   22.635  686.383   22.635 -0.000000 0.000000 
1 1 1   16    0    4 o  758.597   24.173 10289.89  912.369 10289.89  912.369 10289.89  912.369  758.597   34.186  758.597   34.186 -0.000000 0.000000 
1 1 1   16    0    6 o  393.037   12.714  2752.00  248.583  2752.00  248.583  2752.00  248.583  393.037   17.980  393.037   17.980 -0.000000 0.000000 
1 1 1   16    0    8 o  638.895   15.298  7261.21  487.274  7261.21  487.274  7261.21  487.274  638.895   21.635  638.895   21.635 -0.000000 0.000000 
1 1 1   16    0   12 o  646.206   15.508  7445.33  499.603  7445.33  499.603  7445.33  499.603  646.206   21.932  646.206   21.932 -0.000000 0.000000 
1 1 1   16    0   14 o  197.079   16.643  720.392  157.771  720.392  157.771  720.392  157.771  197.079   23.537  197.079   23.537 -0.000000 0.000000 
1 1 1   16    0   16 o  169.434   11.575  523.656   95.928  523.656   95.928  523.656   95.928  169.434   16.369  169.434   16.369 -0.000000 0.000000 
1 1 1   16    0   18 o  112.916   12.887  243.492   67.051  243.492   67.051  243.492   67.051  112.916   18.225  112.916   18.225 -0.000000 0.000000 
1 1 1   16    0   20 o   17.647   8.4545 -11.4195   22.180 -11.4195   22.180 -11.4195   22.180   17.647   11.956   17.647   11.956 -0.000000 0.000000 
1 1 1   16    0   22 o   63.763   17.285   98.672   52.056   98.672   52.056   98.672   52.056   63.763   24.445   63.763   24.445 -0.000000 0.000000 
1 1 1   16    0   24 o  237.359   11.629  1017.04  136.450  1017.04  136.450  1017.04  136.450  237.359   16.446  237.359   16.446 -0.000000 0.000000 
1 1 1   16    0   26 o   97.464   22.070  216.309   94.806  216.309   94.806  216.309   94.806   97.464   31.211   97.464   31.211 -0.000000 0.000000 
1 1 1   16    0   28 o   50.447   17.070   67.260   49.486   67.260   49.486   67.260   49.486   50.447   24.141   50.447   24.141 -0.000000 0.000000 
1 1 1   16    0   30 o   37.837   15.366   33.054   46.332   33.054   46.332   33.054   46.332   37.837   21.731   37.837   21.731 -0.000000 0.000000 
1 1 1   16    0   32 o   82.959   22.655  172.234   89.152  172.234   89.152  172.234   89.152   82.959   32.038   82.959   32.038 -0.000000 0.000000 
1 1 1   16    0   34 o   67.012   21.246  121.162   75.917  121.162   75.917  121.162   75.917   67.012   30.046   67.012   30.046 -0.000000 0.000000 
1 1 1   16    0   36 o   87.281   15.253  162.258   57.603  162.258   57.603  162.258   57.603   87.281   21.570   87.281   21.570 -0.000000 0.000000 
1 1 1   16    1    1 o  737.312   16.505  9655.56  429.969  9353.36  608.063  9957.76  608.074  725.715   23.706  748.908   22.972 -23.19287 33.01089 
1 1 1   16    1    3 o   82.487   11.808  125.014   33.243  135.362   47.135  114.772   46.891   86.027   16.094   78.947   17.284 7.079842 23.61672 
1 1 1   16    1    5 o  276.661   11.389  1357.36  111.237  1283.42  157.328  1431.27  157.299  269.101   16.541  284.221   15.658 -15.12057 22.77722 
1 1 1   16    1    7 o  424.897   12.797  3204.99  192.045  3066.72  271.576  3343.30  271.610  415.688   18.484  434.105   17.702 -18.41693 25.59379 
1 1 1   16    1    9 o  409.138   25.356  2987.65  366.673   0.0000   0.0000  2987.65  366.673  ?   ?   409.138   25.356      ?      ? 
1 1 1   16    1   11 o  285.171   13.903  1413.95  133.542  1560.63  231.129  1340.44  163.617  295.717   22.114  274.625   16.856 21.09219 27.80555 
1 1 1   16    1   13 o  125.811   11.244  281.572   49.999  282.685   70.844  280.468   70.576  126.059   15.900  125.563   15.903 0.4954453 22.48825 
1 1 1   16    1   15 o  376.254   12.389  2527.20  164.675  2622.68  233.166  2432.17  232.607  383.413   17.206  369.096   17.830 14.31683 24.77843 
1 1 1   16    1   17 o  165.525   11.246  488.747   65.786  498.911   93.500  478.782   92.578  167.237   15.818  163.812   15.990 3.425018 22.49199 
1 1 1   16    1   19 o  249.965   13.975  1107.11  117.393  1073.24  144.138  1173.83  202.319  244.971   16.647  254.960   22.451 -9.988190 27.94996 
1 1 1   16    1   21 o  252.719   13.991  1135.68  118.942  1196.44  204.216  1104.49  146.322  257.093   22.474  248.344   16.670 8.749344 27.98155 
1 1 1   16    1   23 f  174.454   11.630  546.304   71.400  484.350  100.251  610.081  101.716  164.277   17.266  184.632   15.587 -20.35548 23.26089 
1 1 1   16    1   25 o  230.904   11.493  956.415   93.772  924.677  131.881  988.867  133.357  226.991   16.438  234.818   16.068 -7.826401 22.98694 
1 1 1   16    1   27 o  123.904   18.444  292.983   78.258  326.530  112.034  261.017  109.360  131.258   25.063  116.549   27.067 14.70869 36.88858 
1 1 1   16    1   29 o   67.476   17.712   68.572   55.587   73.395   71.327   61.113   88.709   67.081   23.886   67.871   26.160 -0.7902908 35.42459 
1 1 1   16    1   31 o   66.828   16.213   78.533   45.572   58.498   78.392   88.761   56.009   64.614   24.669   69.043   21.046 -4.429604 32.42646 
1 1 1   16    1   33 o   55.422   14.628   45.785   39.723  -4.3929   72.038   67.709   47.617   50.046   21.779   60.799   19.534 -10.75302 29.25628 
1 1 1   16    1   35 o   48.094   13.726   13.769   33.154   55.229   63.198  -1.9741   38.943   59.039   22.242   37.149   16.090 21.89070 27.45176 
1 1 1   16    2    0 o  1162.96   23.195 24127.27  953.223 24683.59  1348.12 23571.04  1348.01  1176.49   32.420  1149.42   33.181 27.06592 46.39045 
1 1 1   16    2    2 o  464.924   13.133  3833.78  215.687  3691.17  305.055  3976.35  305.001  456.246   18.917  473.601   18.221 -17.35519 26.26521 
1 1 1   16    2    4 o  113.173   10.807  227.172   43.119  246.907   61.181  207.695   60.780  118.073   14.660  108.272   15.883 9.801270 21.61449 
1 1 1   16    2    6 o  567.826   14.255  5725.30  286.079  5769.09  404.691  5681.57  404.462  570.005   20.087  565.646   20.231 4.359253 28.50949 
1 1 1   16    2    8 o  544.473   17.292  5271.35  313.763  5319.96  544.128  5247.14  384.042  545.589   28.217  543.357   19.997 2.231628 34.58486 
1 1 1   16    2   10 o  350.745   24.217  2197.11  300.216  2197.11  300.216   0.0000   0.0000  350.745   24.217  ?   ?       ?      ? 
1 1 1   16    2   12 o  235.340   10.992  984.389   91.422  1006.76  129.646  962.263  128.937  238.012   15.411  232.669   15.679 5.342056 21.98496 
1 1 1   16    2   14 o  402.931   16.415  3011.07  215.708  2652.50  374.776  3188.70  263.781  383.051   27.682  422.810   17.651 -39.75922 32.83069 
1 1 1   16    2   16 o  220.505   11.111  866.839   86.555  900.808  122.858  833.362  121.963  224.825   15.461  216.185   15.962 8.639999 22.22217 
1 1 1   16    2   18 o  171.176   11.051  524.238   66.664  481.876   94.741  565.780   93.820  164.234   16.321  178.119   14.903 -13.88490 22.10150 
1 1 1   16    2   20 o   95.979   12.587  170.238   41.120  170.936   58.691  169.565   57.630   96.150   17.930   95.808   17.670 0.3417053 25.17341 
1 1 1   16    2   22 o  168.585   13.999  523.550   78.728  475.529  132.160  549.964   98.016  161.867   23.100  175.303   15.819 -13.43623 27.99794 
1 1 1   16    2   24 o  179.172   15.977  582.889  100.488  497.288  139.413  675.452  144.971  165.201   23.876  193.143   21.237 -27.94142 31.95430 
1 1 1   16    2   26 o   83.539   16.289  135.190   50.200   98.230   80.660  158.556   64.134   75.252   25.479   91.826   20.300 -16.57334 32.57720 
1 1 1   16    2   28 o   65.465   16.615   63.633   54.085  109.257   65.671 -32.5493   95.352   76.532   22.669   54.398   24.297 22.13380 33.22998 
1 1 1   16    2   30 f   66.593   23.351   74.578   67.940   74.578   67.940   0.0000   0.0000   66.593   23.351  ?   ?       ?      ? 
1 1 1   16    2   32 o   64.262   16.504   66.712   48.326   62.927   65.927   71.108   71.047   62.730   22.882   65.794   23.791 -3.063812 33.00850 
1 1 1   16    2   34 o   77.042   17.010  112.648   56.472  172.524   76.424   40.635   83.812   93.085   23.287   60.999   24.802 32.08616 34.02087 
1 1 1   16    2   36 o   59.285   21.801   60.629   60.019   0.0000   0.0000   60.629   60.019  ?   ?    59.285   21.801      ?      ? 
1 1 1   16    3    1 o  975.648   20.070 16962.50  691.351 16058.30  977.713 17866.73  977.723  949.426   29.136  1001.87   27.611 -52.44312 40.14079 
1 1 1   16    3    3 o  260.458   11.565  1202.02  106.461  1214.83  150.990  1189.36  150.130  261.840   16.315  259.077   16.395 2.763245 23.12984 
1 1 1   16    3    5 o  262.085   11.289  1217.75  104.535  1186.44  148.180  1248.76  147.492  258.720   16.205  265.451   15.720 -6.731415 22.57704 
1 1 1   16    3    7 o  265.961   11.409  1255.98  107.068  1174.31  151.633  1337.19  151.203  257.296   16.674  274.626   15.578 -17.32916 22.81845 
1 1 1   16    3    9 o  622.626   18.664  6977.13  385.690  7068.33  472.454  6794.92  667.801  630.045   21.216  615.207   30.712 14.83820 37.32748 
1 1 1   16    3   11 o  296.378   16.394  1570.99  171.642  1508.54  242.129  1634.06  243.353  290.396   23.590  302.361   22.771 -11.96475 32.78790 
1 1 1   16    3   13 o  399.283   12.448  2842.42  175.605  2941.45  248.702  2743.96  247.984  406.274   17.320  392.290   17.885 13.98398 24.89690 
1 1 1   16    3   15 o  187.227   13.088  600.273   83.257  721.982  143.229  538.161  102.319  200.756   20.186  173.698   16.666 27.05743 26.17678 
1 1 1   16    3   17 o  186.861   14.581  622.179   96.303   0.0000   0.0000  622.179   96.303  ?   ?   186.861   14.581      ?      ? 
1 1 1   16    3   19 o  205.987   22.554  766.770  164.201   0.0000   0.0000  766.770  164.201  ?   ?   205.987   22.554      ?      ? 
1 1 1   16    3   21 f  118.292   17.113  263.966   69.061  282.457   95.705  243.876   99.756  123.025   22.851  113.558   25.481 9.466812 34.22631 
1 1 1   16    3   23 o   77.207   16.221  109.401   49.736  148.903   67.836   63.482   73.139   88.958   21.756   65.457   24.066 23.50105 32.44231 
1 1 1   16    3   25 o  127.617   17.206  298.971   75.731  248.535  101.533  362.212  113.695  114.237   25.761  140.997   22.815 -26.75976 34.41125 
1 1 1   16    3   27 o   52.287   13.517   16.810   42.829   83.399   50.871 -145.2835   79.370   67.255   19.959   37.320   18.233 29.93509 27.03308 
1 1 1   16    3   29 o   62.031   15.709   64.532   41.664   80.079   46.786   4.9572   91.585   65.622   19.049   58.441   24.984 7.181210 31.41735 
1 1 1   16    3   31 o   90.369   19.606  155.315   60.822  155.315   60.822   0.0000   0.0000   90.369   19.606  ?   ?       ?      ? 
1 1 1   16    3   33 o  138.769   17.435  411.674   73.819  471.329   89.405  283.893  130.848  160.569   15.754  116.969   31.110 43.60007 34.87087 
1 1 1   16    3   35 o   73.954   14.624   92.241   37.959   63.248   45.198  161.639   69.926   58.253   19.056   89.654   22.187 -31.40130 29.24767 
1 1 1   16    4    0 o  499.976   13.545  4436.18  239.134  4214.17  338.362  4657.73  338.010  487.425   19.641  512.527   18.659 -25.10226 27.09093 
1 1 1   16    4    2 o  1064.03   21.743 20197.96  817.703 20131.73  1156.47 20264.19  1156.34  1062.27   30.802  1065.80   30.697 -3.523193 43.48630 
1 1 1   16    4    4 o  550.262   14.264  5377.61  277.267  5173.11  392.173  5581.98  392.057  539.750   20.557  560.774   19.781 -21.02380 28.52852 
1 1 1   16    4    6 o  219.895   11.355  859.688   87.930  777.232  124.581  941.540  124.124  209.323   16.839  230.467   15.238 -21.14369 22.71008 
1 1 1   16    4    8 o  389.962   18.145  2727.96  248.497  2381.25  351.992  3072.45  350.866  364.881   27.294  415.043   23.918 -50.16229 36.29077 
1 1 1   16    4   10 o  304.384   14.487  1679.96  145.700  1569.25  251.669  1735.78  178.691  296.215   24.038  312.553   16.176 -16.33777 28.97382 
1 1 1   16    4   12 o  128.539   13.423  290.099   58.732  311.954   98.707  278.121   73.076  132.081   21.144  124.997   16.541 7.083237 26.84524 
1 1 1   16    4   14 o  135.625   16.413  338.463   76.161  388.525  107.008  287.069  108.423  147.275   20.557  123.976   25.592 23.29829 32.82600 
1 1 1   16    4   16 o   48.164   12.069   30.065   26.422   10.977   34.423   57.441   41.224   39.169   15.907   57.159   18.156 -17.99052 24.13815 
1 1 1   16    4   18 o  133.031   16.584  327.636   75.638  370.268  105.759  282.998  108.220  143.417   20.864  122.644   25.784 20.77266 33.16793 
1 1 1   16    4   20 f   61.918   14.525   65.834   36.938   66.189   49.486   65.387   55.506   61.505   19.930   62.332   21.136 -0.8265533 29.05041 
1 1 1   16    4   22 o  172.711   14.100  528.408   81.555  508.905   99.639  567.999  141.962  168.483   16.732  176.939   22.700 -8.456467 28.20037 
1 1 1   16    4   24 o   97.115   15.666  178.141   50.782  180.746   62.956  173.289   85.916   98.614   18.748   95.617   25.103 2.997581 31.33106 
1 1 1   16    4   26 o   64.602   15.476   74.934   43.525  100.724   49.327 -15.7631   92.502   73.285   18.915   55.919   24.499 17.36573 30.95110 
1 1 1   16    4   28 o  163.238   16.123  511.358   81.797  537.926   98.758  453.312  145.974  172.770   16.173  153.706   27.897 19.06354 32.24599 
1 1 1   16    4   30 o  140.227   12.993  367.010   62.741  427.158   85.074  295.289   92.899  153.716   15.659  126.738   20.739 26.97890 25.98644 
1 1 1   16    4   32 o  179.166   11.730  584.910   74.118  564.970  100.942  608.238  109.180  175.986   16.228  182.345   16.941 -6.359268 23.45937 
1 1 1   16    4   34 o   82.397   14.327  131.006   40.630  122.553   51.819  144.496   65.461   79.394   18.763   85.400   21.656 -6.006546 28.65383 
1 1 1   16    4   36 f   59.242   15.766   59.328   42.018   64.658   48.745   43.917   82.889   58.651   19.807   59.833   24.534 -1.181664 31.53171 
1 1 1   16    5    1 o  279.737   11.642  1386.94  115.089  1364.66  162.999  1409.10  162.522  277.489   16.620  281.986   16.307 -4.497406 23.28334 
1 1 1   16    5    3 o   71.095   13.006   94.456   32.319   82.828   53.640  101.082   40.494   68.081   20.561   74.109   15.933 -6.027962 26.01226 
1 1 1   16    5    5 o  289.427   13.824  1449.79  134.988  1614.10  233.220  1367.01  165.533  301.256   21.903  277.599   16.871 23.65701 27.64770 
1 1 1   16    5    7 o  734.783   33.552  9714.16  871.356   0.0000   0.0000  9714.16  871.356  ?   ?   734.783   33.552      ?      ? 
1 1 1   16    5    9 o  342.089   17.071  2093.74  206.226  2190.16  291.537  1997.17  291.759  350.072   23.562  334.106   24.707 15.96521 34.14108 
1 1 1   16    5   11 o  159.830   15.232  460.467   84.632  362.554  118.706  561.688  120.695  142.220   23.615  177.440   19.245 -35.22000 30.46381 
1 1 1   16    5   13 o   47.096   12.231   31.328   26.638   28.807   36.177   34.314   39.369   45.627   16.899   48.564   17.687 -2.936661 24.46212 
1 1 1   16    5   15 o  159.623   15.411  458.210   86.764  421.253  121.802  496.282  123.624  152.994   22.525  166.252   21.039 -13.25824 30.82186 
1 1 1   16    5   17 o   77.245   15.515  110.271   44.327  107.898   61.659  112.809   63.769   76.420   21.773   78.069   22.108 -1.649162 31.02988 
1 1 1   16    5   19 o   54.915   12.023   54.966   28.048   78.530   34.734   10.802   47.552   65.021   15.359   44.810   18.502 20.21090 24.04592 
1 1 1   16    5   21 f   52.746   12.454   33.374   28.474   5.8981   35.398   83.742   47.927   38.130   15.871   67.363   19.198 -29.23312 24.90867 
1 1 1   16    5   23 o  194.615   13.054  657.052   84.506  612.572  101.903  754.999  151.217  184.961   15.588  204.270   20.945 -19.30861 26.10879 
1 1 1   16    5   25 o   59.368   14.553   54.019   36.202   41.473   45.135   76.648   60.617   52.349   18.957   66.386   22.086 -14.03671 29.10618 
1 1 1   16    5   27 f   69.759   15.708   94.886   45.283  122.270   51.003  -7.0737   98.415   80.676   18.307   58.843   25.532 21.83306 31.41659 
1 1 1   16    5   29 o  213.528   11.924  827.170   89.735  849.275  123.467  802.419  130.647  216.781   16.114  210.275   17.579 6.506439 23.84711 
1 1 1   16    5   31 o   94.037   14.662  168.665   46.483  166.373   59.366  172.298   74.728   93.760   18.571   94.314   22.693 -0.5545425 29.32328 
1 1 1   16    5   33 o  114.110   16.344  239.525   65.917  239.525   65.917   0.0000   0.0000  114.110   16.344  ?   ?       ?      ? 
1 1 1   16    5   35 o   63.314   13.529   27.466   28.984   0.7974   31.505  174.434   73.958   34.098   14.617   92.531   22.769 -58.43258 27.05712 
1 1 1   16    6    0 o   77.632   13.459  105.746   35.535  134.113   59.916   90.353   44.135   85.224   20.200   70.040   17.793 15.18333 26.91884 
1 1 1   16    6    2 o  843.049   36.588 12765.96  1090.21 12765.96  1090.21   0.0000   0.0000  843.049   36.588  ?   ?       ?      ? 
1 1 1   16    6    4 o  453.667   18.349  3677.34  293.419  3363.60  414.681  3991.91  415.234  434.078   27.029  473.257   24.824 -39.17957 36.69870 
1 1 1   16    6    6 o  383.524   24.794  2625.66  336.087   0.0000   0.0000  2625.66  336.087  ?   ?   383.524   24.794      ?      ? 
1 1 1   16    6    8 o  338.094   17.085  2047.34  203.670  2207.20  287.894  1887.17  288.172  351.487   23.174  324.702   25.110 26.78519 34.16943 
1 1 1   16    6   10 o  112.432   15.580  230.549   60.655  198.489   84.778  264.168   86.815  103.229   23.732  121.635   20.194 -18.40607 31.16097 
1 1 1   16    6   12 o  187.102   12.814  612.305   81.270  582.500  100.412  668.911  138.380  180.867   15.707  193.337   20.251 -12.46962 25.62828 
1 1 1   16    6   14 o  190.338   15.360  652.235  102.856  577.403  144.623  728.826  146.312  179.102   22.846  201.574   20.536 -22.47163 30.71966 
1 1 1   16    6   16 o   60.746   11.540   69.281   26.304   91.294   35.459   42.345   39.224   70.271   14.747   51.221   17.755 19.04964 23.08027 
1 1 1   16    6   18 o  179.994   11.019  581.718   69.250  473.416   96.916  694.696   98.987  162.623   16.861  197.365   14.190 -34.74168 22.03779 
1 1 1   16    6   20 o   86.168   12.016  136.641   35.169  126.872   47.296  148.724   52.598   82.711   16.753   89.625   17.230 -6.914314 24.03190 
1 1 1   16    6   22 o   61.633   13.233   66.094   31.421   50.215   41.287   87.949   48.438   54.406   18.230   68.859   19.187 -14.45305 26.46633 
1 1 1   16    6   24 o   97.035   12.440  163.475   40.687  105.421   52.102  254.208   65.136   74.995   19.481  119.075   15.477 -44.08005 24.88058 
1 1 1   16    6   26 o  194.721   11.518  676.883   78.947  607.416  106.543  761.466  117.564  183.703   16.409  205.738   16.167 -22.03473 23.03582 
1 1 1   16    6   28 o  301.455   11.743  1636.40  124.814  1489.35  171.277  1802.91  182.261  286.953   16.888  315.957   16.321 -29.00415 23.48536 
1 1 1   16    6   30 o   55.094   14.792   5.6217   33.355 -15.3072   36.618  107.597   80.829   33.466   14.994   76.723   25.503 -43.25700 29.58402 
1 1 1   16    6   32 o  111.037   20.035  265.519   81.324  326.992  103.341  165.527  131.801  129.644   23.415   92.431   32.517 37.21288 40.06977 
1 1 1   16    6   34 o   78.001   16.708  120.275   54.970  180.290   74.552   48.772   81.375   94.651   22.597   61.351   24.617 33.30007 33.41603 
1 1 1   16    7    1 o  244.408   15.829  1063.19  136.617  1011.50  193.118  1114.98  193.294  238.419   22.917  250.397   21.841 -11.97795 31.65777 
1 1 1   16    7    3 o  283.656   16.320  1436.90  162.955  1585.57  230.485  1288.31  230.422  298.481   21.848  268.832   24.251 29.64978 32.64066 
1 1 1   16    7    5 o  152.579   13.259  409.531   68.156  399.734   84.008  428.399  116.583  150.071   15.838  155.088   21.269 -5.017426 26.51782 
1 1 1   16    7    7 o  508.622   19.900  4610.04  357.747  4610.04  357.747   0.0000   0.0000  508.622   19.900  ?   ?       ?      ? 
1 1 1   16    7    9 o  298.922   14.274  1539.87  144.354  1415.64  176.956  1786.99  249.580  281.884   17.761  315.961   22.349 -34.07733 28.54717 
1 1 1   16    7   11 o  146.533   11.083  384.141   56.872  322.792   79.998  446.829   80.867  134.564   16.820  158.502   14.435 -23.93755 22.16500 
1 1 1   16    7   13 o  174.564   15.699  548.962   96.609  590.596  136.155  506.747  137.100  181.369   21.240  167.758   23.122 13.61110 31.39704 
1 1 1   16    7   15 o  139.751   11.811  352.470   57.072  266.082   79.797  442.938   81.659  121.866   18.526  157.636   14.656 -35.77061 23.62261 
1 1 1   16    7   17 o  145.571   10.636  378.085   54.575  341.760   76.040  416.675   78.376  138.313   15.555  152.829   14.510 -14.51572 21.27146 
1 1 1   16    7   19 o  313.574   11.335  1759.56  125.623  1745.39  177.126  1773.91  178.194  312.299   16.047  314.849   16.013 -2.549866 22.66975 
1 1 1   16    7   21 o   88.761   12.467  142.709   38.313  115.066   51.840  175.983   56.875   78.419   18.921   99.103   16.237 -20.68480 24.93306 
1 1 1   16    7   23 o   50.257   12.257   18.456   34.021 -61.4910   50.836   83.306   45.786   33.523   15.909   66.991   18.650 -33.46843 24.51369 
1 1 1   16    7   25 o   66.858   14.354   81.220   35.944   81.073   44.860   81.483   60.073   66.033   18.488   67.684   21.961 -1.650917 28.70727 
1 1 1   16    7   27 o  144.617   11.853  373.104   59.891  349.162   78.028  407.438   93.439  139.202   15.859  150.032   17.621 -10.83028 23.70662 
1 1 1   16    7   29 o  232.232   14.654  1010.58  115.189  921.989  187.221  1064.54  146.118  222.411   23.817  242.054   17.079 -19.64339 29.30754 
1 1 1   16    7   31 o   70.972   16.332  100.701   43.354  116.767   46.685   0.0214  116.869   78.388   17.312   63.557   27.698 14.83125 32.66380 
1 1 1   16    7   33 o   50.816   13.360   40.343   33.246   61.095   37.321 -39.4410   73.177   56.893   17.143   44.738   20.496 12.15546 26.72062 
1 1 1   16    7   35 o   77.172   18.161  129.917   63.044  168.855   72.734   12.287  126.418   90.416   22.772   63.929   28.298 26.48724 36.32286 
1 1 1   16    8    0 o  364.311   24.555  2366.30  316.176  2366.30  316.176   0.0000   0.0000  364.311   24.555  ?   ?       ?      ? 
1 1 1   16    8    2 o  393.556   25.108  2765.44  349.259  2765.44  349.259   0.0000   0.0000  393.556   25.108  ?   ?       ?      ? 
1 1 1   16    8    4 o  477.950   17.537  4270.66  271.565  3584.96  470.671  4612.84  332.490  446.644   29.815  509.256   18.472 -62.61200 35.07369 
1 1 1   16    8    6 o  134.040   16.281  325.895   75.558  339.085  107.907  313.206  105.833  137.758   22.162  130.323   23.855 7.435089 32.56136 
1 1 1   16    8    8 o  248.118   16.915  1250.22  127.444  777.324  221.085  1485.57  155.965  207.205   30.188  289.031   15.267 -81.82622 33.82935 
1 1 1   16    8   10 o   57.078   13.339   57.092   31.593   25.294   56.947   71.231   37.973   51.965   20.680   62.190   16.855 -10.22437 26.67846 
1 1 1   16    8   12 o  107.829   15.526  252.966   54.651  110.452   95.429  322.517   66.666   81.035   27.712  134.623   14.011 -53.58789 31.05262 
1 1 1   16    8   14 o  148.021   16.256  391.322   85.045   0.0000   0.0000  391.322   85.045  ?   ?   148.021   16.256      ?      ? 
1 1 1   16    8   16 o  253.472   13.430  1124.23  114.284  1247.89  199.316  1063.66  139.492  263.037   21.439  243.906   16.181 19.13029 26.85999 
1 1 1   16    8   18 o  230.990   15.273  1013.03  113.836  833.866  197.036  1102.79  139.467  213.700   26.087  248.279   15.893 -34.57851 30.54689 
1 1 1   16    8   20 o  191.859   16.107  668.500  109.168  656.681  156.004  679.842  152.817  190.097   23.219  193.620   22.331 -3.523193 32.21447 
1 1 1   16    8   22 o   73.453   16.437   97.136   47.699   98.514   70.629   95.981   64.676   74.152   23.787   72.755   22.691 1.397125 32.87426 
1 1 1   16    8   24 o   94.729   16.225  165.280   53.981  219.558   82.673  124.941   71.271  107.847   22.420   81.612   23.460 26.23549 32.45021 
1 1 1   16    8   26 o  139.585   15.460  377.639   70.574  292.689  109.911  437.233   92.059  123.509   26.000  155.661   16.733 -32.15199 30.91922 
1 1 1   16    8   28 o   69.417   15.151   80.444   43.590   34.822   58.515  137.328   65.339   54.089   21.135   84.745   21.715 -30.65599 30.30253 
1 1 1   16    8   30 o   48.852   13.709   25.101   36.054   45.429   43.118 -22.1440   65.734   52.614   18.589   45.090   20.154 7.523575 27.41793 
1 1 1   16    8   32 o  114.368   19.011  259.044   72.810  239.281   89.975  296.540  123.932  109.574   23.905  119.162   29.567 -9.588409 38.02143 
1 1 1   16    8   34 o   73.631   18.489   88.135   47.261   77.971   51.345  144.507  120.917   63.430   20.275   83.831   30.925 -20.40109 36.97884 
1 1 1   16    9    1 o  318.567   17.009  1827.48  189.058  1493.11  267.123  2163.09  267.616  288.819   26.168  348.316   21.738 -59.49686 34.01889 
1 1 1   16    9    3 f  418.777   18.238  3157.79  267.918  2716.50  378.670  3600.11  379.117  388.931   27.547  448.622   23.910 -59.69086 36.47580 
1 1 1   16    9    5 o  246.678   16.428  1093.12  142.611  981.683  202.388  1203.02  200.984  233.973   24.474  259.382   21.923 -25.40939 32.85693 
1 1 1   16    9    7 o  410.566   18.227  3070.22  259.460  2393.33  366.495  3750.36  367.372  363.817   28.501  457.315   22.728 -93.49823 36.45420 
1 1 1   16    9    9 o  141.527   14.052  377.655   62.466  325.707  109.109  402.984   76.187  132.547   24.181  150.508   14.322 -17.96042 28.10406 
1 1 1   16    9   11 o  112.234   16.525  235.118   63.389  234.071   91.261  236.094   88.113  111.907   23.805  112.561   22.927 -0.6544189 33.05014 
1 1 1   16    9   13 o  240.611   16.354  1047.50  138.715  968.307  197.057  1125.29  195.301  231.358   24.098  249.863   22.115 -18.50555 32.70764 
1 1 1   16    9   15 o  206.798   13.031  748.074   90.962  831.750  156.844  705.668  111.657  214.894   20.650  198.701   15.899 16.19347 26.06147 
1 1 1   16    9   17 o  178.708   13.678  575.448   81.369  572.335  140.739  577.011   99.725  177.799   22.396  179.617   15.709 -1.818329 27.35559 
1 1 1   16    9   19 o  156.845   14.552  438.548   76.773  463.449  131.900  425.789   94.414  159.676   23.371  154.015   17.344 5.660934 29.10406 
1 1 1   16    9   21 o  184.577   16.372  615.679  105.853  510.386  143.761  740.361  156.439  167.183   24.329  201.971   21.915 -34.78777 32.74398 
1 1 1   16    9   23 o   60.047   15.030   54.546   41.579   83.246   57.420   22.907   60.288   67.923   21.412   52.170   21.098 15.75277 30.06008 
1 1 1   16    9   25 o   30.678   14.273 -66.7367   13.113 -71.3607   13.995 -33.4891   37.528  ?   ?    30.678   14.273      ?      ? 
1 1 1   16    9   27 o  113.765   24.475  249.079   95.495  249.079   95.495   0.0000   0.0000  113.765   24.475  ?   ?       ?      ? 
1 1 1   16    9   29 o  134.745   14.739  344.328   67.557  305.149   99.776  377.494   91.801  125.953   23.270  143.538   18.095 -17.58497 29.47753 
1 1 1   16    9   31 o   80.471   16.944  126.589   55.811  181.856   75.728   60.880   82.573   95.999   22.679   64.944   25.181 31.05505 33.88873 
1 1 1   16    9   33 o   81.060   19.368  133.195   59.886  139.748   66.904  106.783  134.322   83.053   22.315   79.068   31.662 3.984734 38.73549 
1 1 1   16   10    0 o  117.925   17.629  284.743   68.136  169.328  119.544  340.280   82.925   97.527   30.911  138.323   16.962 -40.79545 35.25894 
1 1 1   16   10    2 o  247.700   16.255  1102.19  141.445  962.173  199.741  1243.04  200.326  231.664   24.394  263.736   21.491 -32.07185 32.51042 
1 1 1   16   10    4 o  320.105   17.042  1843.28  192.193  1677.59  271.959  2008.57  271.645  305.475   25.189  334.735   22.960 -29.25995 34.08310 
1 1 1   16   10    6 o   95.744   15.300  168.451   55.874   58.400   78.538  281.233   79.506   65.953   24.805  125.536   17.919 -59.58273 30.60061 
1 1 1   16   10    8 o  117.629   16.561  256.595   67.295  192.968   94.942  320.836   95.399  101.436   26.272  133.821   20.170 -32.38467 33.12161 
1 1 1   16   10   10 o  358.328   17.432  2320.77  220.774  2315.72  312.034  2325.83  312.409  357.933   24.665  358.722   24.640 -0.7884521 34.86402 
1 1 1   16   10   12 o   67.142   15.326   78.457   42.140   98.023   58.469   57.309   60.787   73.071   21.319   61.213   22.024 11.85821 30.65209 
1 1 1   16   10   14 o  139.916   16.504  359.753   79.685  353.654  116.178  365.171  109.502  137.610   24.799  142.222   21.784 -4.612030 33.00787 
1 1 1   16   10   16 o   70.277   14.833   87.716   38.059   98.812   65.706   82.114   46.688   73.841   22.845   66.714   18.925 7.126877 29.66604 
1 1 1   16   10   18 o  270.271   14.418  1323.99  129.859  1303.39  223.429  1334.49  159.580  267.694   23.615  272.847   16.548 -5.152924 28.83533 
1 1 1   16   10   20 o  106.676   14.976  221.322   52.826  171.347   86.839  250.679   66.558   95.092   25.369  118.261   15.923 -23.16978 29.95203 
1 1 1   16   10   22 o  151.838   14.528  406.344   76.187  475.377  124.765  365.298   96.206  161.562   21.849  142.115   19.153 19.44702 29.05571 
1 1 1   16   10   24 o  154.284   14.717  423.062   78.976  496.401  126.154  375.797  101.277  164.807   21.657  143.760   19.932 21.04767 29.43339 
1 1 1   16   10   26 o  134.324   14.974  358.362   64.675  219.336   95.776  474.893   87.686  106.368   25.751  162.280   15.288 -55.91185 29.94729 
1 1 1   16   10   28 o   59.248   23.390   41.528   72.311   0.0000   0.0000   41.528   72.311  ?   ?    59.248   23.390      ?      ? 
1 1 1   16   10   30 o   46.987   12.885   18.795   23.711   11.709   25.864   56.119   59.358   34.841   13.914   59.134   21.690 -24.29332 25.76924 
1 1 1   16   10   32 o  106.978   16.433  231.139   60.374  215.962   84.486  246.978   86.308  103.058   23.690  110.898   22.781 -7.840149 32.86668 
1 1 1   16   11    1 o  183.488   13.889  587.952   85.198  642.671  149.485  561.625  103.687  189.383   22.332  177.594   16.519 11.78958 27.77777 
1 1 1   16   11    3 f  191.537   13.555  653.576   86.096  661.278  150.818  649.852  104.860  192.009   22.223  191.065   15.528 0.9439697 27.11078 
1 1 1   16   11    5 o  301.365   16.667  1634.62  177.460  1691.28  251.357  1578.32  250.579  306.659   23.191  296.071   23.946 10.58762 33.33483 
1 1 1   16   11    7 o  269.179   16.504  1309.32  156.277  1451.80  220.878  1166.50  221.140  284.176   21.991  254.182   24.615 29.99374 33.00770 
1 1 1   16   11    9 o  302.393   16.768  1653.85  178.791  1784.74  253.034  1523.36  252.663  314.616   22.755  290.170   24.636 24.44598 33.53690 
1 1 1   16   11   11 o  111.725   16.884  234.382   64.683  213.835   91.387  255.009   91.564  106.559   24.740  116.891   22.982 -10.33170 33.76737 
1 1 1   16   11   13 o  404.230   25.655  2975.70  366.533  2975.70  366.533   0.0000   0.0000  404.230   25.655  ?   ?       ?      ? 
1 1 1   16   11   17 o   91.124   14.259  145.216   43.871  207.846   72.986  109.785   54.896  105.632   20.286   76.616   20.042 29.01688 28.51715 
1 1 1   16   11   19 o  110.279   16.225  225.457   58.716  239.414  100.359  218.192   72.401  112.185   25.843  108.374   19.624 3.810791 32.44937 
1 1 1   16   11   21 o   85.987   16.197  143.817   50.610  106.334   80.347  168.470   65.162   77.253   25.414   94.721   20.087 -17.46730 32.39399 
1 1 1   16   11   23 o  223.247   14.542  911.611  109.889  893.861  182.682  921.675  137.560  220.544   23.436  225.951   17.225 -5.406693 29.08500 
1 1 1   16   11   25 o  157.564   13.981  473.207   74.133  364.016  114.657  551.645   97.178  140.312   23.120  174.817   15.728 -34.50566 27.96228 
1 1 1   16   11   27 o   56.315   14.546   46.802   34.000   43.837   39.336   55.558   67.608   51.268   17.780   61.361   23.027 -10.09296 29.09218 
1 1 1   16   11   29 o  187.841   15.133  657.092   98.496  499.061  132.911  849.608  146.697  162.019   23.210  213.663   19.426 -51.64442 30.26636 
1 1 1   16   11   31 o   57.328   14.614   54.477   35.543   52.040   42.368   60.266   65.303   54.006   18.465   60.651   22.657 -6.645462 29.22796 
1 1 1   16   11   33 o   85.084   20.497  128.309   56.218  114.404   60.469  216.903  152.634   74.737   21.645   95.430   34.815 -20.69267 40.99496 
1 1 1   16   12    0 o  214.032   15.273  858.269  105.527  725.188  184.339  923.141  128.702  200.432   26.021  227.632   15.997 -27.20052 30.54520 
1 1 1   16   12    2 o  162.850   14.416  471.917   82.977   0.0000   0.0000  471.917   82.977  ?   ?   162.850   14.416      ?      ? 
1 1 1   16   12    4 o   72.987   15.391   93.744   44.758   52.641   62.825  136.104   63.779   60.552   22.299   85.421   21.220 -24.86826 30.78186 
1 1 1   16   12    6 f  163.740   15.710  522.685   79.127  404.307  137.706  581.038   96.682  146.944   27.526  180.537   15.152 -33.59288 31.42043 
1 1 1   16   12    8 o  174.282   15.980  550.617   97.665  628.999  138.240  472.510  137.998  186.981   20.918  161.583   24.163 25.39813 31.95971 
1 1 1   16   12   10 o   90.015   15.526  157.850   47.629  124.746   82.248  174.553   58.422   82.763   25.552   97.268   17.643 -14.50544 31.05142 
1 1 1   16   12   12 o  163.881   17.131  498.286   95.731  570.425  133.696  422.386  137.137  177.760   21.280  150.001   26.853 27.75868 34.26200 
1 1 1   16   12   14 o  204.115   16.739  761.129  120.061  822.377  166.191  694.270  173.637  213.119   22.063  195.111   25.179 18.00761 33.47780 
1 1 1   16   12   16 o  307.544   24.703  1725.86  268.520   0.0000   0.0000  1725.86  268.520  ?   ?   307.544   24.703      ?      ? 
1 1 1   16   12   18 o  384.571   18.328  2716.51  248.941  2774.20  348.083  2656.11  356.167  389.085   25.312  380.056   26.515 9.029541 36.65648 
1 1 1   16   12   20 o   75.324   18.344   93.222   55.928   85.802   67.422  109.591  100.146   70.011   23.293   80.637   28.346 -10.62611 36.68837 
1 1 1   16   12   22 o  113.386   14.861  239.592   57.567  230.209   87.622  246.718   76.360  110.070   23.251  116.702   18.513 -6.632004 29.72109 
1 1 1   16   12   24 o   71.698   15.791   91.315   46.616  133.748   65.988   49.045   65.861   83.736   22.008   59.659   22.651 24.07701 31.58165 
1 1 1   16   12   26 o   44.649   14.327   4.8989   30.301   14.714   31.300 -141.5679  120.910   38.569   15.337   50.730   24.204 -12.16090 28.65433 
1 1 1   16   12   28 o   87.658   16.887  150.603   53.400  144.080   71.024  159.084   80.992   85.688   22.979   89.627   24.751 -3.939362 33.77333 
1 1 1   16   12   30 o   93.133   26.879  180.190   93.394   0.0000   0.0000  180.190   93.394  ?   ?    93.133   26.879      ?      ? 
1 1 1   16   12   32 f   68.186   30.359   19.878  147.607   0.0000   0.0000   19.878  147.607  ?   ?    68.186   30.359      ?      ? 
1 1 1   16   13    1 o   88.235   16.198  144.508   53.144   86.586   74.983  202.971   75.332   71.959   24.565  104.510   21.120 -32.55090 32.39606 
1 1 1   16   13    3 o   77.074   16.027  107.539   47.364   80.205   66.142  136.307   67.856   68.705   23.073   85.443   22.250 -16.73776 32.05358 
1 1 1   16   13    5 o  169.106   16.251  552.732   85.596  443.410  147.724  607.987  105.024  153.706   28.232  184.505   16.105 -30.79965 32.50283 
1 1 1   16   13    7 o  278.832   13.665  1398.00  126.614  1391.05  219.821  1401.45  154.887  277.545   22.409  280.119   15.644 -2.574310 27.32919 
1 1 1   16   13    9 o   74.595   13.681  111.188   37.257   60.179   63.218  138.332   46.117   62.488   22.462   86.702   15.624 -24.21427 27.36140 
1 1 1   16   13   11 o  268.658   14.609  1300.63  130.915  1306.51  226.051  1297.66  160.588  268.203   23.846  269.112   16.883 -0.9092712 29.21811 
1 1 1   16   13   13 o  312.739   14.106  1721.06  148.629  1905.16  257.026  1628.57  182.177  324.168   22.433  301.310   17.106 22.85788 28.21111 
1 1 1   16   13   15 o  244.803   15.966  1094.47  136.481  1295.69  194.212  898.147  191.836  267.736   20.523  221.871   24.463 45.86499 31.93198 
1 1 1   16   13   17 o  177.876   16.209  567.116  100.969  478.650  133.895  683.746  153.738  161.948   23.392  193.803   22.444 -31.85524 32.41780 
1 1 1   16   13   19 o   66.721   14.824   56.826   54.238  154.248   66.414 -138.2755   93.985   90.359   21.166   43.084   20.760 47.27563 29.64813 
1 1 1   16   13   21 o  192.361   27.347  690.253  185.926   0.0000   0.0000  690.253  185.926  ?   ?   192.361   27.347      ?      ? 
1 1 1   16   13   23 o  145.487   20.310  417.424   97.256  440.650  120.904  374.843  163.708  154.618   22.124  136.356   34.067 18.26253 40.62009 
1 1 1   16   13   25 o  128.848   20.232  306.244   92.136   0.0000   0.0000  306.244   92.136  ?   ?   128.848   20.232      ?      ? 
1 1 1   16   13   27 o   29.386   14.227 -71.8084   45.443   0.0000   0.0000 -71.8084   45.443  ?   ?    29.386   14.227      ?      ? 
1 1 1   16   13   29 o   46.942   20.499  -3.3968   64.306   0.0000   0.0000  -3.3968   64.306  ?   ?    46.942   20.499      ?      ? 
1 1 1   16   13   31 o   74.155   21.491  111.906   59.593  111.906   59.593   0.0000   0.0000   74.155   21.491  ?   ?       ?      ? 
1 1 1   16   14    0 o  126.907   18.502  345.513   76.797  172.340  133.829  430.536   93.772   98.645   32.817  155.169   17.098 -56.52406 37.00369 
1 1 1   16   14    2 o   44.043   11.310   23.612   21.773   44.657   38.607   13.797   26.366   51.887   17.627   36.198   14.175 15.68883 22.61957 
1 1 1   16   14    4 o  142.526   12.761  360.104   60.938  376.720  105.387  351.758   74.690  144.663   20.611  140.388   15.053 4.274673 25.52282 
1 1 1   16   14    6 f   99.174   15.425  190.031   51.399  149.773   87.412  211.307   63.546   89.680   26.039  108.668   16.545 -18.98769 30.85087 
1 1 1   16   14    8 o  255.097   13.828  1160.40  118.159  1205.07  204.023  1137.86  144.941  258.047   22.370  252.148   16.264 5.899200 27.65696 
1 1 1   16   14   10 o  580.574   18.151  6169.29  350.208  6107.17  605.925  6200.46  429.147  575.121   29.808  586.026   20.719 -10.90582 36.30182 
1 1 1   16   14   12 o  185.679   12.708  601.718   80.129  683.786  136.823  558.878   98.855  194.687   19.884  176.671   15.831 18.01666 25.41651 
1 1 1   16   14   14 o  128.056   15.179  300.306   63.857  306.854  108.075  296.794   79.150  127.597   24.858  128.515   17.425 -0.9183578 30.35720 
1 1 1   16   14   16 o  254.428   23.071  1181.58  207.467   0.0000   0.0000  1181.58  207.467  ?   ?   254.428   23.071      ?      ? 
1 1 1   16   14   18 o  106.770   16.681  217.678   61.603  263.853   87.281  171.844   86.959  118.643   21.610   94.897   25.417 23.74574 33.36200 
1 1 1   16   14   20 o  226.146   26.591  952.550  212.538   0.0000   0.0000  952.550  212.538  ?   ?   226.146   26.591      ?      ? 
1 1 1   16   14   22 o   58.736   26.077 -26.0554  108.131   0.0000   0.0000 -26.0554  108.131  ?   ?    58.736   26.077      ?      ? 
1 1 1   16   14   26 o   62.111   19.659   71.595   48.368   71.595   48.368   0.0000   0.0000   62.111   19.659  ?   ?       ?      ? 
1 1 1   16   14   28 o   55.683   14.531   49.410   39.953   74.678   47.918  -8.2156   72.365   62.553   19.535   48.813   21.518 13.73969 29.06294 
1 1 1   16   14   30 o   60.310   17.448   29.337   28.450   24.473   29.158  125.861  129.890   40.453   15.134   80.166   31.443 -39.71343 34.89576 
1 1 1   16   15    1 o  660.962   22.415  8095.44  520.684  7133.37  735.342  9062.84  737.380  619.707   33.572  702.217   29.710 -82.50989 44.83054 
1 1 1   16   15    3 o  106.663   13.926  206.971   48.711  212.993   83.588  203.875   59.942  106.546   22.880  106.780   15.883 -0.2337265 27.85203 
1 1 1   16   15    5 o  283.735   14.786  1473.95  138.634  1390.21  239.667  1516.06  169.952  276.488   24.525  290.983   16.525 -14.49496 29.57299 
1 1 1   16   15    7 o  143.569   15.349  372.763   77.853  388.209  111.044  357.831  109.180  146.533   21.441  140.604   21.970 5.929245 30.69813 
1 1 1   16   15    9 o  276.976   15.870  1400.98  153.218  1673.90  217.819  1133.67  215.566  304.531   20.237  249.421   24.453 55.11020 31.74061 
1 1 1   16   15   11 f  162.761   13.834  480.383   76.395  468.532  126.269  487.226   95.948  160.687   22.233  164.835   16.469 -4.147964 27.66821 
1 1 1   16   15   13 o  147.832   13.448  387.965   68.660  423.916  111.420  365.956   87.179  152.999   20.604  142.666   17.289 10.33313 26.89697 
1 1 1   16   15   15 o  308.318   25.704  1750.74  280.105   0.0000   0.0000  1750.74  280.105  ?   ?   308.318   25.704      ?      ? 
1 1 1   16   15   17 o  231.696   17.104  968.156  140.068   0.0000   0.0000  968.156  140.068  ?   ?   231.696   17.104      ?      ? 
1 1 1   16   15   19 o  136.795   24.572  355.629  114.437   0.0000   0.0000  355.629  114.437  ?   ?   136.795   24.572      ?      ? 
1 1 1   16   15   21 o  218.376   16.605  888.249  127.793  946.374  178.873  827.651  182.638  226.184   22.375  210.569   24.540 15.61482 33.20934 
1 1 1   16   15   23 o   90.343   16.477  154.703   52.217  135.930   67.255  183.195   82.856   83.868   22.302   96.818   24.262 -12.95030 32.95486 
1 1 1   16   15   25 o  135.356   18.472  325.409   79.119  264.970   93.120  482.297  150.031  116.139   23.492  154.574   28.512 -38.43435 36.94359 
1 1 1   16   15   27 o   69.885   18.311   84.851   49.751   89.646   53.785   56.438  130.921   67.835   20.612   71.934   30.272 -4.098907 36.62268 
1 1 1   16   15   29 o   64.481   16.503   76.368   56.543  123.488   61.691 -171.1647  141.396   77.647   21.660   51.316   24.904 26.33116 33.00526 
1 1 1   16   16    0 o  474.479   19.412  4125.16  325.396  4251.69  459.377  3997.75  460.987  482.080   26.961  466.877   27.936 15.20285 38.82394 
1 1 1   16   16    2 o  469.112   19.136  4030.53  317.155  3893.29  447.590  4168.92  449.466  460.836   27.480  477.389   26.638 -16.55249 38.27181 
1 1 1   16   16    4 o  348.448   18.187  2230.57  222.117  2533.38  312.595  1921.79  315.669  373.334   23.690  323.562   27.603 49.77234 36.37486 
1 1 1   16   16    6 o   68.378   13.978   87.904   35.859   67.262   57.731  100.870   45.757   63.253   21.555   73.502   17.802 -10.24882 27.95554 
1 1 1   16   16    8 o  126.939   12.961  279.214   56.944  346.361   92.731  238.566   72.150  138.664   18.921  115.215   17.718 23.44842 25.92129 
1 1 1   16   16   10 o  200.235   25.580  734.701  181.031   0.0000   0.0000  734.701  181.031  ?   ?   200.235   25.580      ?      ? 
1 1 1   16   16   12 o  198.316   14.898  704.591  104.427   0.0000   0.0000  704.591  104.427  ?   ?   198.316   14.898      ?      ? 
1 1 1   16   16   14 o  142.635   22.095  371.264  111.388   0.0000   0.0000  371.264  111.388  ?   ?   142.635   22.095      ?      ? 
1 1 1   16   16   16 o  209.644   15.973  806.096  118.305  830.744  167.053  781.296  167.566  212.992   22.191  206.295   22.981 6.697449 31.94642 
1 1 1   16   16   18 o  199.587   16.103  734.582  113.580  721.166  159.425  748.410  161.855  197.722   22.813  201.452   22.732 -3.730164 32.20512 
1 1 1   16   16   20 o  187.829   14.705  648.095   95.148  658.406  152.890  641.577  121.555  188.197   22.985  187.462   18.346 0.7343292 29.40899 
1 1 1   16   16   22 o  161.350   14.105  488.938   78.768  438.254  120.095  527.200  104.346  153.027   22.204  169.674   17.400 -16.64627 28.20957 
1 1 1   16   16   24 o  206.394   14.150  823.372   98.966  686.595  154.923  917.667  128.633  189.441   23.138  223.347   16.295 -33.90614 28.29992 
1 1 1   16   16   26 f   46.287   12.709   28.093   27.406   27.428   32.185   29.849   52.272   42.786   15.921   49.788   19.813 -7.002327 25.41702 
1 1 1   16   16   28 f   73.334   19.336  100.204   53.441  103.708   56.843   73.532  156.825   71.469   21.069   75.199   32.429 -3.729584 38.67231 
1 1 1   16   17    1 o  486.891   18.695  4347.23  319.990  3800.72  447.707  4917.95  457.520  454.621   27.863  519.161   24.934 -64.54010 37.39018 
1 1 1   16   17    3 o  253.057   17.117  1169.86  152.544  1209.34  209.425  1125.24  222.640  257.999   22.966  248.116   25.388 9.883514 34.23444 
1 1 1   16   17    5 o  177.837   26.898  580.945  169.066   0.0000   0.0000  580.945  169.066  ?   ?   177.837   26.898      ?      ? 
1 1 1   16   17    9 o  181.952   22.082  602.616  142.010   0.0000   0.0000  602.616  142.010  ?   ?   181.952   22.082      ?      ? 
1 1 1   16   17   11 f  136.491   15.918  344.743   75.059  367.967  106.636  321.937  105.670  142.220   21.214  130.763   23.738 11.45708 31.83602 
1 1 1   16   17   13 o   67.251   14.716   82.413   38.553   85.274   54.832   79.616   54.218   68.204   20.831   66.298   20.792 1.905792 29.43190 
1 1 1   16   17   15 o  192.207   13.965  654.176   92.842  763.983  151.288  587.841  117.587  204.430   20.938  179.984   18.484 24.44624 27.92991 
1 1 1   16   17   17 o  231.182   16.339  992.066  132.960  1089.96  187.895  893.882  188.172  243.188   21.860  219.175   24.291 24.01315 32.67887 
1 1 1   16   17   19 o  104.776   15.960  209.350   57.366  175.729   77.809  249.388   84.911   95.242   23.305  114.310   21.812 -19.06712 31.91999 
1 1 1   16   17   21 o  181.474   16.892  628.104  107.567  690.362  149.670  561.588  154.702  191.730   22.086  171.219   25.564 20.51096 33.78331 
1 1 1   16   17   23 o   99.130   12.761  180.743   41.674  203.299   71.828  169.297   51.167  102.177   20.601   96.083   15.067 6.094986 25.52245 
1 1 1   16   17   25 o   89.997   14.525  160.739   45.084  172.124   66.626  151.122   61.232   92.862   20.814   87.132   20.266 5.730217 29.05058 
1 1 1   16   18    0 o  238.282   25.473  1039.29  214.529   0.0000   0.0000  1039.29  214.529  ?   ?   238.282   25.473      ?      ? 
1 1 1   16   18    2 o   94.852   22.178  169.681   73.022   0.0000   0.0000  169.681   73.022  ?   ?    94.852   22.178      ?      ? 
1 1 1   16   18    4 o  296.234   23.477  1601.73  245.813   0.0000   0.0000  1601.73  245.813  ?   ?   296.234   23.477      ?      ? 
1 1 1   16   18    6 o  100.549   14.391  186.363   50.222  240.352   73.256  138.486   68.985  115.467   17.950   85.632   22.500 29.83538 28.78280 
1 1 1   16   18    8 o   74.506   15.143  103.557   41.965  101.262   61.375  105.571   57.508   73.920   21.919   75.091   20.900 -1.171410 30.28672 
1 1 1   16   18   10 o  229.726   9.8462  885.711   72.960  1093.28  140.192  808.611   85.443  246.502   16.091  212.949   11.352 33.55331 19.69239 
1 1 1   16   18   12 o  258.801   11.950  1173.89   97.698  1289.77  189.684  1132.06  113.980  266.070   20.170  251.531   12.821 14.53841 23.90020 
1 1 1   16   18   14 o  135.682   11.897  328.850   54.035  346.873   93.712  319.874   66.137  137.941   19.221  133.422   14.025 4.519409 23.79392 
1 1 1   16   18   16 o   73.588   11.328   94.307   27.645  131.608   47.714   75.458   33.918   83.785   16.698   63.391   15.311 20.39463 22.65510 
1 1 1   16   18   18 o   55.309   16.134   56.824   33.490   0.0000   0.0000   56.824   33.490  ?   ?    55.309   16.134      ?      ? 
1 1 1   16   18   20 o   62.667   12.261   73.268   27.310   79.448   45.388   69.761   34.191   64.676   18.759   60.657   15.793 4.019005 24.52200 
1 1 1   16   18   22 o   47.950   11.709   36.733   24.159   54.426   37.769   24.480   31.430   54.309   17.392   41.591   15.682 12.71832 23.41808 
1 1 1   16   18   24 o   46.410   11.278   33.513   24.258   59.487   34.167   7.1123   34.447   55.665   16.313   37.155   15.576 18.50959 22.55519 
1 1 1   16   19    1 o  108.480   15.694  221.097   58.137  249.469   84.098  195.127   80.460  115.460   21.396  101.500   22.965 13.95972 31.38727 
1 1 1   16   19    3 o  166.587   10.134  484.018   58.665  568.839   94.053  430.002   75.055  178.126   14.939  155.047   13.696 23.07925 20.26714 
1 1 1   16   19    5 o  229.785   11.434  932.041   90.607  1028.40  147.893  874.140  114.641  238.769   17.525  220.802   14.690 17.96677 22.86711 
1 1 1   16   19    7 o  172.259   14.817  543.433   89.100  646.777  127.163  443.762  124.882  188.884   19.048  155.634   22.703 33.24947 29.63486 
1 1 1   16   19    9 o   62.300   12.940   69.841   30.233   85.744   46.525   58.217   39.776   67.716   18.782   56.883   17.804 10.83380 25.87901 
1 1 1   16   19   11 o  176.771   10.373  540.621   63.452  722.476  100.969  421.925   81.572  200.486   14.249  153.056   15.079 47.42918 20.74629 
1 1 1   16   19   13 o   82.266   12.840  125.590   34.268  132.663   61.396  122.390   41.299   83.368   20.881   81.163   14.947 2.204910 25.67960 
1 1 1   16   19   15 o  196.248   12.821  688.899   84.679  756.649  146.412  654.845  103.802  202.420   20.465  190.077   15.451 12.34271 25.64243 
1 1 1   16   19   17 o   53.856   12.073   45.628   25.692   79.124   43.259   27.375   31.935   64.619   18.177   43.092   15.894 21.52762 24.14582 
1 1 1   16   19   19 o   32.167   12.010   14.385   18.344   0.0000   0.0000   14.385   18.344  ?   ?    32.167   12.010      ?      ? 
1 1 1   16   19   21 o   39.516   10.050   24.015   18.510   11.068   27.768   34.369   24.832   35.355   14.311   43.677   14.114 -8.322105 20.10046 
1 1 1   16   19   23 o   62.474   12.889   77.624   30.072   67.064   48.713   84.127   38.225   59.389   19.801   65.559   16.507 -6.169899 25.77892 
1 1 1   16   20    0 o  246.145   12.150  1083.45  101.896  1127.45  169.563  1058.57  127.481  249.398   19.236  242.893   14.849 6.505722 24.30092 
1 1 1   16   20    2 o  119.907   12.702  255.069   53.282  296.532   82.839  225.811   69.587  128.010   18.309  111.805   17.610 16.20474 25.40332 
1 1 1   16   20    4 o  147.335   13.455  379.087   68.726  485.595  110.549  311.992   87.742  163.544   19.125  131.125   18.932 32.41913 26.91087 
1 1 1   16   20    6 o  111.908   14.202  224.835   54.217  294.939   84.803  176.372   70.510  127.399   18.833   96.416   21.263 30.98383 28.40393 
1 1 1   16   20    8 o   61.079   13.363   67.396   31.636   74.651   47.639   61.672   42.313   63.718   19.407   58.440   18.375 5.278084 26.72539 
1 1 1   16   20   10 o   44.006   11.257   29.265   22.770   19.126   34.494   37.096   30.313   41.413   16.215   46.598   15.620 -5.184387 22.51456 
1 1 1   16   20   12 o   38.935   10.536   18.527   20.226   24.481   30.184   13.676   27.248   41.518   15.424   36.352   14.356 5.166443 21.07107 
1 1 1   16   20   14 o  197.657   11.346  669.644   72.761  821.649  138.027  611.149   85.624  211.280   18.484  184.035   13.164 27.24498 22.69196 
1 1 1   16   20   16 o  156.359   13.074  437.049   66.781  498.104  123.139  411.611   79.485  162.535   21.435  150.182   14.974 12.35258 26.14770 
1 1 1   16   20   18 o   75.949   15.225  113.753   42.745  109.385   59.721  118.341   61.207   74.542   21.489   77.357   21.573 -2.815353 30.44921 
1 1 1   16   20   20 o   80.110   13.765  126.183   37.560  131.433   62.229  123.174   47.109   80.697   21.450   79.524   17.256 1.173286 27.52952 
1 1 1   16   21    1 o   77.524   17.691   42.953   36.493   24.807   38.141  239.440  125.509   44.695   17.173  110.353   30.934 -65.65836 35.38101 
1 1 1   16   21    3 o  195.012   16.417  683.542  111.331  596.419  142.676  819.171  178.017  179.854   22.445  210.171   23.965 -30.31682 32.83381 
1 1 1   16   21    5 o   36.463   9.8025   14.173   18.608  -4.6314   27.823   29.392   25.030   31.053   13.524   41.873   14.193 -10.81939 19.60504 
1 1 1   16   21    7 o   81.974   15.027  127.198   43.844  145.836   65.425  112.004   59.070   87.241   21.384   76.708   21.119 10.53249 30.05449 
1 1 1   16   21    9 o   55.208   12.726   53.871   28.506   59.951   41.732   48.553   39.032   57.528   18.267   52.888   17.725 4.639839 25.45267 
1 1 1   16   21   11 o   87.537   15.367  142.864   48.559  210.340   73.866   91.512   64.439  104.800   20.676   70.275   22.740 34.52470 30.73429 
1 1 1   16   21   13 o   75.563   14.610  108.770   40.424  135.106   59.963   86.830   54.732   83.412   20.488   67.715   20.834 15.69725 29.21985 
1 1 1   16   21   15 o   45.932   11.904   32.384   25.374   38.095   35.988   26.738   35.781   47.931   16.977   43.932   16.692 3.999203 23.80849 
1 1 1   16   21   17 o  215.270   13.043  848.447   89.548  946.408  170.769  811.294  105.167  220.636   21.898  209.904   14.175 10.73190 26.08611 
1 1 1   16   21   19 o   90.200   17.659  159.300   54.283   0.0000   0.0000  159.300   54.283  ?   ?    90.200   17.659      ?      ? 
1 1 1   16   22    0 o  129.258   14.288  325.091   60.253  252.451   94.350  375.119   78.299  114.457   24.085  144.059   15.378 -29.60229 28.57573 
1 1 1   16   22    2 o   53.107   12.352   42.528   29.089   79.886   42.846   10.587   39.618   65.157   18.006   41.058   16.913 24.09901 24.70374 
1 1 1   16   22    4 o  155.731   21.858  509.967  110.989  578.182  137.957  384.806  186.870  176.311   22.138  135.151   37.696 41.15973 43.71646 
1 1 1   16   22    6 o  143.123   20.192  410.617   95.206  430.314  118.161  374.164  160.744  151.834   22.018  134.412   33.854 17.42151 40.38453 
1 1 1   16   22    8 o   50.940   14.558   28.424   38.964   53.752   41.367 -170.7746  116.013   55.038   18.242   46.842   22.692 8.195885 29.11502 
1 1 1   16   22   10 o  104.104   20.793  240.260   80.378  277.979   93.771  135.775  156.067  119.211   23.089   88.998   34.588 30.21201 41.58656 
1 1 1   16   22   12 o   49.025   11.958   38.933   26.077   58.566   37.352   20.265   36.422   55.950   17.210   42.100   16.606 13.84980 23.91595 
1 1 1   16   22   14 o  148.651   13.030  405.594   67.477  503.355  106.339  339.699   87.305  163.215   18.434  134.087   18.422 29.12769 26.06072 
1 1 1   16   22   16 o   54.078   11.785   54.975   24.817   64.962   36.602   46.477   33.763   57.931   16.858   50.224   16.472 7.706856 23.56980 
1 1 1   16   23    1 o   66.415   14.100   81.693   35.915   99.429   53.110   66.748   48.753   72.110   20.090   60.719   19.788 11.39079 28.19926 
1 1 1   16   23    3 o  170.497   15.062  524.494   89.083  677.862  142.213  425.451  114.283  190.333   21.140  150.660   21.462 39.67287 30.12471 
1 1 1   16   23    5 o  102.139   15.074  199.655   52.254  226.173   80.359  180.229   68.780  107.866   21.827   96.413   20.795 11.45303 30.14756 
1 1 1   16   23    7 o   84.565   14.508  139.005   42.709  147.621   64.273  132.193   57.150   86.735   21.155   82.394   19.858 4.340965 29.01518 
1 1 1   16   23    9 o   46.468   14.031   19.793   31.877   33.835   33.184 -148.0027  114.708   45.565   16.285   47.371   22.854 -1.805691 28.06239 
1 1 1   16   23   11 o   89.175   19.541  153.322   59.666  142.024   67.493  193.727  127.643   83.842   22.364   94.509   32.051 -10.66642 39.08225 
1 1 1   16   23   13 o   91.700   20.389  155.724   60.699  137.189   66.948  241.332  143.877   81.799   22.468  101.601   34.031 -19.80173 40.77833 
1 1 1   16   24    0 o  152.505   16.601  405.070   83.049  304.595  100.063  627.519  148.887  124.250   23.649  180.759   23.304 -56.50871 33.20210 
1 1 1   16   24    2 o  163.860   16.061  517.526   92.510  574.383  130.740  460.514  130.918  173.701   21.295  154.020   24.049 19.68074 32.12267 
1 1 1   16   24    4 o   60.583   13.629   69.159   32.804   66.191   48.681   71.627   44.397   59.842   19.787   61.323   18.747 -1.481892 27.25750 
1 1 1   16   24    6 o   84.452   14.905  139.840   44.384  170.940   66.994  115.511   59.253   92.736   20.935   76.168   21.221 16.56870 29.80945 
1 1 1   16   24    8 o  114.060   14.532  252.684   56.662  269.198   87.769  240.883   74.195  115.704   22.270  112.416   18.673 3.287979 29.06309 
1 1 1   16   24   10 o  186.574   17.568  663.031  115.847   0.0000   0.0000  663.031  115.847  ?   ?   186.574   17.568      ?      ? 
1 1 1   16   25    1 f   34.446   9.6567   12.647   17.493   15.262   25.432   10.299   24.099   35.674   13.935   33.217   13.372 2.456745 19.31341 
1 1 1   16   25    3 f   42.408   10.889   28.816   21.062   28.390   30.557   29.201   29.070   42.475   15.565   42.341   15.231 0.1336708 21.77712 
1 1 1   16   25    5 o   51.176   18.193   45.660   41.360   0.0000   0.0000   45.660   41.360  ?   ?    51.176   18.193      ?      ? 
1 1 1   17    0    1 o  980.192   19.705 17090.94  963.686 17090.94  963.686 17090.94  963.686  980.192   27.868  980.192   27.868 -0.000000 0.000000 
1 1 1   17    0    3 o   78.656   19.562  143.877   69.782  143.877   69.782  143.877   69.782   78.656   27.665   78.656   27.665 -0.000000 0.000000 
1 1 1   17    0    5 o  442.032   12.982  3478.97  285.714  3478.97  285.714  3478.97  285.714  442.032   18.360  442.032   18.360 -0.000000 0.000000 
1 1 1   17    0    7 o  340.671   12.216  2071.92  206.791  2071.92  206.791  2071.92  206.791  340.671   17.276  340.671   17.276 -0.000000 0.000000 
1 1 1   17    0   11 o  360.499   12.348  2322.19  221.309  2322.19  221.309  2322.19  221.309  360.499   17.462  360.499   17.462 -0.000000 0.000000 
1 1 1   17    0   13 f  346.050   12.229  2142.23  210.317  2142.23  210.317  2142.23  210.317  346.050   17.294  346.050   17.294 -0.000000 0.000000 
1 1 1   17    0   15 o   92.054   14.223  170.380   57.315  170.380   57.315  170.380   57.315   92.054   20.114   92.054   20.114 -0.000000 0.000000 
1 1 1   17    0   17 o  248.258   16.726  1131.05  203.221  1131.05  203.221  1131.05  203.221  248.258   23.654  248.258   23.654 -0.000000 0.000000 
1 1 1   17    0   19 o   47.627   17.621   59.103   55.126   59.103   55.126   59.103   55.126   47.627   24.920   47.627   24.920 -0.000000 0.000000 
1 1 1   17    0   21 o   45.879   17.404   54.026   54.892   54.026   54.892   54.026   54.892   45.879   24.613   45.879   24.613 -0.000000 0.000000 
1 1 1   17    0   23 o   84.198   21.424  168.594   82.547  168.594   82.547  168.594   82.547   84.198   30.298   84.198   30.298 -0.000000 0.000000 
1 1 1   17    0   25 f   51.451   18.944   69.788   63.484   69.788   63.484   69.788   63.484   51.451   26.791   51.451   26.791 -0.000000 0.000000 
1 1 1   17    1    0 o  555.559   14.295  5477.92  280.668  5568.23  396.961  5387.65  396.888  560.157   20.050  550.961   20.381 9.195557 28.59016 
1 1 1   17    1    2 o  604.428   14.892  6489.70  318.102  6371.04  449.883  6608.34  449.846  598.874   21.254  609.982   20.865 -11.10791 29.78429 
1 1 1   17    1    4 o  361.396   12.303  2317.32  157.140  2295.95  222.244  2338.68  222.215  359.723   17.480  363.069   17.317 -3.345367 24.60523 
1 1 1   17    1    6 o  440.266   12.997  3443.99  202.204  3363.69  285.933  3524.32  285.988  435.105   18.593  445.427   18.166 -10.32196 25.99403 
1 1 1   17    1    8 o  400.447   15.467  2866.19  205.875  2842.14  357.219  2878.15  251.921  398.553   25.359  402.341   17.715 -3.787781 30.93382 
1 1 1   17    1   10 o  238.295   16.047  1016.22  135.144  1021.87  190.440  1010.50  191.813  238.981   22.546  237.609   22.840 1.371658 32.09358 
1 1 1   17    1   12 o  245.966   13.253  1029.16  110.509  1262.49  191.630  912.906  135.266  265.620   20.412  226.311   16.911 39.30894 26.50691 
1 1 1   17    1   14 o  257.072   16.190  1189.36  147.060  1152.67  207.201  1226.60  208.756  253.021   23.169  261.123   22.619 -8.101532 32.37960 
1 1 1   17    1   16 o  222.606   13.939  896.263  102.988  868.982  178.026  909.985  126.259  219.429   22.955  225.783   15.822 -6.353668 27.87900 
1 1 1   17    1   18 o   46.676   10.650   26.197   26.073 -43.2578   41.587   71.177   33.467   31.426   14.752   61.925   15.364 -30.49898 21.30000 
1 1 1   17    1   20 o  179.528   16.109  582.969  102.102  551.824  140.736  617.577  148.354  174.468   22.823  184.587   22.739 -10.11885 32.21729 
1 1 1   17    1   22 o  211.114   22.738  809.383  169.664  809.383  169.664   0.0000   0.0000  211.114   22.738  ?   ?       ?      ? 
1 1 1   17    1   24 o  190.482   16.888  662.035  113.204  649.615  152.557  677.255  168.873  188.763   22.866  192.202   24.859 -3.438522 33.77615 
1 1 1   17    1   26 o   71.645   24.725   87.289   76.025   87.289   76.025   0.0000   0.0000   71.645   24.725  ?   ?       ?      ? 
1 1 1   17    1   28 o   90.298   27.352  155.208   94.821  155.208   94.821   0.0000   0.0000   90.298   27.352  ?   ?       ?      ? 
1 1 1   17    1   30 o   97.228   27.796  185.566  100.309  185.566  100.309   0.0000   0.0000   97.228   27.796  ?   ?       ?      ? 
1 1 1   17    1   32 o   45.653   19.982  -7.7509   61.410  -7.7509   61.410   0.0000   0.0000   45.653   19.982  ?   ?       ?      ? 
1 1 1   17    1   34 o   26.506   12.521 -33.3879   30.814 -33.3879   30.814   0.0000   0.0000   26.506   12.521  ?   ?       ?      ? 
1 1 1   17    2    1 o  449.047   16.030  3602.33  239.256  3529.50  414.057  3638.83  293.151  445.175   26.315  452.919   18.313 -7.743744 32.06006 
1 1 1   17    2    3 o  488.473   16.331  4213.29  266.786  4343.01  461.808  4148.31  326.844  493.562   26.473  483.383   19.131 10.17911 32.66171 
1 1 1   17    2    5 o  214.936   13.647  829.128   97.381  796.310  168.035  845.724  119.493  211.493   22.479  218.378   15.482 -6.884872 27.29466 
1 1 1   17    2    7 f  585.824   17.681  6039.58  347.483  6427.62  601.823  5845.52  425.590  598.775   28.437  572.873   21.019 25.90186 35.36194 
1 1 1   17    2    9 o  393.657   17.624  2782.09  244.425  2523.75  345.192  3041.87  346.149  375.045   26.041  412.268   23.755 -37.22318 35.24843 
1 1 1   17    2   11 o  266.077   14.012  1264.28  124.347  1266.76  214.839  1263.02  152.484  265.793   22.869  266.361   16.197 -0.5679626 28.02393 
1 1 1   17    2   13 o  328.163   16.779  1944.24  193.578  1711.70  273.049  2179.23  274.479  308.025   25.080  348.302   22.296 -40.27719 33.55820 
1 1 1   17    2   15 o   81.703   15.928  122.643   48.164   93.731   66.795  153.957   69.515   72.674   23.114   90.732   21.922 -18.05844 31.85589 
1 1 1   17    2   17 o  176.239   22.339  560.776  139.153   0.0000   0.0000  560.776  139.153  ?   ?   176.239   22.339      ?      ? 
1 1 1   17    2   19 o  192.348   15.645  669.472  105.877  589.470  147.849  753.684  151.690  180.328   23.197  204.368   21.000 -24.04021 31.29083 
1 1 1   17    2   21 o   37.956   10.879   1.1637   25.580   30.723   33.021 -43.1961   40.452   45.106   16.232   30.805   14.489 14.30161 21.75797 
1 1 1   17    2   23 o   84.018   17.577  133.264   57.124  162.296   75.058   93.301   88.060   92.683   23.017   75.353   26.571 17.33048 35.15454 
1 1 1   17    2   25 o   51.048   14.830   21.266   35.436   22.756   39.303   14.791   81.924   44.617   17.352   57.479   24.053 -12.86133 29.65921 
1 1 1   17    2   27 o   80.000   15.944   68.832   44.207   25.099   49.631  236.739   97.249   48.953   19.361  111.046   25.337 -62.09276 31.88781 
1 1 1   17    2   29 o   53.708   15.469   28.522   39.616   33.365   44.253   8.9791   88.896   49.323   18.605   58.093   24.719 -8.769375 30.93822 
1 1 1   17    2   31 o   73.655   19.793  103.832   52.629  103.832   52.629   0.0000   0.0000   73.655   19.793  ?   ?       ?      ? 
1 1 1   17    2   33 o   72.503   17.705   97.006   54.077   92.853   68.882  103.679   87.303   70.223   23.546   74.784   26.448 -4.561043 35.41063 
1 1 1   17    2   35 o   73.827   14.013  106.216   37.693   80.273   50.224  139.675   57.037   64.029   20.000   83.626   19.633 -19.59691 28.02615 
1 1 1   17    3    0 o  241.167   13.503  1010.04  109.681  1103.75  189.515  962.850  134.493  249.266   21.511  233.069   16.327 16.19743 27.00518 
1 1 1   17    3    2 o  760.073   21.202 10503.08  531.669  9806.09  920.498 10852.00  651.293  739.219   35.231  780.926   23.596 -41.70697 42.40332 
1 1 1   17    3    4 o  354.307   14.985  2269.26  175.447  2126.62  303.378  2340.94  215.058  345.381   24.852  363.232   16.751 -17.85052 29.97068 
1 1 1   17    3    6 o  257.316   15.977  1180.45  145.246  1139.14  204.964  1222.13  205.858  252.758   22.943  261.874   22.241 -9.116150 31.95383 
1 1 1   17    3   10 o  274.149   16.444  1348.42  159.146  1419.10  224.515  1277.05  225.622  281.489   22.566  266.809   23.925 14.67990 32.88876 
1 1 1   17    3   12 o  373.089   24.764  2507.62  326.556  2507.62  326.556   0.0000   0.0000  373.089   24.764  ?   ?       ?      ? 
1 1 1   17    3   14 f  219.585   15.931  867.860  123.637  870.576  174.256  865.107  175.450  219.951   22.415  219.219   22.644 0.7323456 31.86213 
1 1 1   17    3   16 o  188.713   22.454  642.555  149.764   0.0000   0.0000  642.555  149.764  ?   ?   188.713   22.454      ?      ? 
1 1 1   17    3   18 o  267.184   14.422  1297.16  128.070  1320.50  157.372  1251.38  220.375  271.669   16.390  262.700   23.735 8.969482 28.84357 
1 1 1   17    3   20 o  263.829   16.384  1263.33  152.746  1228.18  215.091  1299.09  216.952  260.058   23.401  267.600   22.938 -7.542389 32.76826 
1 1 1   17    3   22 o   93.364   17.334  165.802   58.065  181.206   78.752  147.453   85.952   97.960   23.118   88.768   25.834 9.192070 34.66741 
1 1 1   17    3   24 f  120.177   18.167  273.473   76.701  193.695  107.972  354.746  108.979  100.763   28.849  139.592   22.088 -38.82871 36.33370 
1 1 1   17    3   26 o  122.340   17.041  317.967   68.262  167.631  112.539  405.474   85.861   94.586   29.993  150.094   16.185 -55.50881 34.08131 
1 1 1   17    3   28 o  108.300   17.467  225.810   64.675  224.861  100.468  226.481   84.515  107.588   26.576  109.012   22.674 -1.424057 34.93438 
1 1 1   17    3   30 o   79.276   17.492  105.600   48.434   90.517   55.629  152.856   98.465   69.468   20.930   89.083   28.033 -19.61425 34.98445 
1 1 1   17    3   32 f   67.758   15.210   83.908   39.795   75.807   49.946   97.992   65.855   63.642   19.955   71.873   22.960 -8.231155 30.41998 
1 1 1   17    3   34 o   40.091   18.681 -99.6816   11.405 -101.3004   11.586 -49.2509   64.669  ?   ?    40.091   18.681      ?      ? 
1 1 1   17    4    1 o  180.173   15.550  577.686   98.927  603.300  139.326  551.642  140.490  184.233   21.397  176.112   22.570 8.121262 31.10029 
1 1 1   17    4    3 o   48.766   12.332   34.864   27.457   47.466   37.645   20.538   40.136   52.919   17.395   44.613   17.484 8.305721 24.66363 
1 1 1   17    4    5 o  453.240   18.394  3674.09  294.294  3457.92  415.773  3891.14  416.616  439.723   26.752  466.756   25.254 -27.03339 36.78891 
1 1 1   17    4    9 o  296.486   16.560  1575.08  173.523  1589.30  244.855  1560.74  245.947  297.858   23.258  295.114   23.579 2.743713 33.12002 
1 1 1   17    4   11 o  160.144   15.102  461.100   84.561  379.261  118.067  547.293  121.167  145.329   22.986  174.959   19.594 -29.63008 30.20392 
1 1 1   17    4   13 o  207.609   13.422  776.935   93.066  788.985  114.786  753.816  158.991  210.416   15.434  204.802   21.964 5.613235 26.84499 
1 1 1   17    4   15 o  229.645   22.497  950.917  182.596  950.917  182.596   0.0000   0.0000  229.645   22.497  ?   ?       ?      ? 
1 1 1   17    4   17 f  334.995   16.969  2008.90  200.911  2008.90  200.911   0.0000   0.0000  334.995   16.969  ?   ?       ?      ? 
1 1 1   17    4   19 o   57.787   13.366   57.168   31.800   44.139   44.782   70.420   45.164   53.227   18.929   62.347   18.875 -9.120419 26.73197 
1 1 1   17    4   21 o  333.431   11.957  1994.85  140.805  1899.19  198.395  2091.94  199.871  325.272   17.257  341.590   16.555 -16.31793 23.91365 
1 1 1   17    4   23 o  191.881   14.522  687.602   90.947  608.525  157.780  726.949  111.297  182.384   24.476  201.378   15.637 -18.99373 29.04477 
1 1 1   17    4   25 o  100.127   17.249  184.669   57.128  173.836   68.753  208.832  102.677   96.036   20.853  104.217   27.482 -8.180313 34.49779 
1 1 1   17    4   27 o   98.365   16.027  207.011   61.021   45.327  100.596  301.141   76.756   67.625   27.287  129.105   16.821 -61.48056 32.05470 
1 1 1   17    4   29 o   63.710   14.959   68.550   38.814   53.926   49.748   91.299   62.049   57.033   19.982   70.388   22.266 -13.35563 29.91742 
1 1 1   17    4   31 o   52.425   18.586   45.117   43.141   45.117   43.141   0.0000   0.0000   52.425   18.586  ?   ?       ?      ? 
1 1 1   17    4   33 o  112.273   15.379  195.960   53.599  144.053   60.881  374.817  113.012   85.505   20.425  139.041   22.997 -53.53602 30.75773 
1 1 1   17    4   35 o   45.688   14.535   2.4659   31.980   3.3514   33.825  -4.9921   98.161   35.766   15.234   55.609   24.759 -19.84261 29.06990 
1 1 1   17    5    0 o  136.497   21.410  331.244  103.290  331.244  103.290   0.0000   0.0000  136.497   21.410  ?   ?       ?      ? 
1 1 1   17    5    2 o  244.297   22.424  1062.46  193.622  1062.46  193.622   0.0000   0.0000  244.297   22.424  ?   ?       ?      ? 
1 1 1   17    5    4 o  359.570   17.221  2307.99  218.839  2336.21  309.265  2279.69  309.706  361.796   24.185  357.344   24.521 4.452454 34.44141 
1 1 1   17    5    6 o  160.507   15.498  459.599   87.055  549.390  126.165  377.997  120.274  175.576   20.331  145.439   23.398 30.13770 30.99667 
1 1 1   17    5    8 o  282.772   13.612  1375.50  130.160  1263.95  159.435  1598.40  225.380  266.487   16.927  299.056   21.323 -32.56891 27.22485 
1 1 1   17    5   10 o   93.376   15.019  164.734   46.693  172.481   57.637  149.942   79.647   96.906   17.471   89.845   24.435 7.060974 30.03844 
1 1 1   17    5   12 o  218.558   16.043  860.672  123.627  924.880  174.288  795.652  175.386  226.935   21.729  210.182   23.609 16.75323 32.08662 
1 1 1   17    5   14 o   55.273   13.383   50.222   29.596   52.909   34.853   43.274   56.041   54.353   16.609   56.193   20.989 -1.839134 26.76555 
1 1 1   17    5   16 o  107.212   12.604  209.048   46.718  219.155   65.921  198.850   66.218  110.672   16.853  103.752   18.747 6.920158 25.20871 
1 1 1   17    5   18 o  233.904   16.031  978.834  132.535   0.0000   0.0000  978.834  132.535  ?   ?   233.904   16.031      ?      ? 
1 1 1   17    5   20 o  200.081   13.918  720.681   92.193  724.583  161.571  718.798  112.263  199.788   22.881  200.374   15.852 -0.5859222 27.83552 
1 1 1   17    5   22 o  141.748   18.108  378.181   87.384  377.364  123.557  379.000  123.602  141.583   25.634  141.913   25.584 -0.3301239 36.21665 
1 1 1   17    5   24 f   81.525   14.679  129.357   44.424  174.281   59.387   72.281   66.938   96.830   18.015   66.220   23.180 30.60998 29.35767 
1 1 1   17    5   26 o  170.495   11.945  524.124   71.813  517.788   98.028  531.463  105.502  169.494   16.363  171.497   17.405 -2.003845 23.88954 
1 1 1   17    5   28 o   93.534   18.160  149.141   52.464  134.633   58.603  207.703  117.738   84.155   19.998  102.913   30.318 -18.75792 36.31917 
1 1 1   17    5   30 o   70.454   17.497   80.809   52.870   61.143   66.826  113.714   86.442   62.430   22.997   78.479   26.377 -16.04921 34.99427 
1 1 1   17    5   32 o   55.234   14.955   40.114   41.311   20.357   55.951   63.794   61.254   49.113   20.150   61.355   22.105 -12.24172 29.91045 
1 1 1   17    5   34 o   60.118   14.217   59.666   37.698   22.888   50.317  106.728   56.919   47.245   19.214   72.991   20.960 -25.74541 28.43420 
1 1 1   17    6    1 f  224.154   16.364  891.658  129.641  891.658  129.641   0.0000   0.0000  224.154   16.364  ?   ?       ?      ? 
1 1 1   17    6    3 o  300.178   15.972  1599.62  169.457  1599.62  169.457   0.0000   0.0000  300.178   15.972  ?   ?       ?      ? 
1 1 1   17    6    5 o  121.354   15.890  261.641   68.154  261.641   68.154   0.0000   0.0000  121.354   15.890  ?   ?       ?      ? 
1 1 1   17    6    7 o  345.803   15.029  2114.45  173.910  2067.76  212.912  2208.04  301.457  340.727   17.680  350.879   24.308 -10.15274 30.05735 
1 1 1   17    6    9 o   83.186   11.139  126.335   31.906  105.993   45.280  146.394   44.966   75.622   17.314   90.751   14.019 -15.12881 22.27809 
1 1 1   17    6   11 o  157.396   10.936  443.541   60.016  355.494   83.773  536.382   86.023  141.155   16.792  173.638   14.017 -32.48271 21.87300 
1 1 1   17    6   13 o  131.609   15.384  318.365   68.675  245.343   95.539  396.432   98.784  114.450   24.365  148.767   18.787 -34.31640 30.76727 
1 1 1   17    6   15 o   44.512   10.624   25.158   21.076   4.3080   27.216   56.395   33.312   33.437   13.917   55.587   16.056 -22.14968 21.24810 
1 1 1   17    6   17 o  310.475   15.349  1798.83  155.646  1580.98  269.221  1908.20  190.756  294.461   25.868  326.489   16.531 -32.02808 30.69869 
1 1 1   17    6   19 o   57.574   14.091   54.692   36.857  -1.3970   67.531   78.489   43.986   49.964   21.409   65.183   18.327 -15.21888 28.18209 
1 1 1   17    6   21 o  101.278   12.939  186.297   44.987  151.066   61.083  228.062   66.505   89.813   19.777  112.743   16.690 -22.93082 25.87827 
1 1 1   17    6   23 o  263.176   14.902  1287.64  126.960  1337.61  153.568  1179.75  225.668  272.963   15.918  253.389   25.198 19.57394 29.80438 
1 1 1   17    6   25 o  195.933   11.687  691.608   80.592  691.408  109.132  691.848  119.526  196.074   15.747  195.792   17.272 0.2821655 23.37328 
1 1 1   17    6   27 o   41.534   12.802  -4.1887   29.835  -6.8030   33.864   4.8793   63.068   33.941   14.847   49.127   20.860 -15.18633 25.60433 
1 1 1   17    6   29 o   47.402   17.089   34.944   36.616   34.944   36.616   0.0000   0.0000   47.402   17.089  ?   ?       ?      ? 
1 1 1   17    6   31 o   58.465   14.089   62.331   36.129   82.221   42.257   8.2837   69.659   65.608   17.780   51.322   21.861 14.28633 28.17805 
1 1 1   17    6   33 o   87.440   15.065  152.425   44.102  152.689   53.621  151.875   77.536   88.786   17.708   86.095   24.377 2.691093 30.13002 
1 1 1   17    7    0 o  276.102   23.297  1359.72  227.345  1359.72  227.345   0.0000   0.0000  276.102   23.297  ?   ?       ?      ? 
1 1 1   17    7    2 o  187.078   15.826  624.583  104.615  618.805  149.367  630.146  146.569  186.204   22.696  187.953   22.063 -1.749359 31.65265 
1 1 1   17    7    4 o  303.727   14.528  1610.02  148.277  1535.77  181.393  1759.55  257.415  293.794   17.469  313.659   23.220 -19.86475 29.05692 
1 1 1   17    7    6 o  321.594   17.372  1870.32  195.208  1553.34  276.439  2185.60  275.693  293.776   26.623  349.413   22.324 -55.63718 34.74411 
1 1 1   17    7    8 o  131.651   21.607  310.615  100.542  310.615  100.542   0.0000   0.0000  131.651   21.607  ?   ?       ?      ? 
1 1 1   17    7   10 o  103.179   15.761  209.328   53.706  237.230   65.514  152.161   93.775  115.354   16.069   91.004   27.119 24.34985 31.52223 
1 1 1   17    7   12 o  203.981   12.962  718.887   89.611  659.565  110.075  835.463  154.307  192.223   16.202  215.740   20.237 -23.51660 25.92325 
1 1 1   17    7   14 o   55.612   12.608   53.299   28.358   41.235   39.429   66.226   40.814   50.866   17.791   60.357   17.870 -9.490726 25.21621 
1 1 1   17    7   16 o  165.612   10.379  489.008   60.550  436.359   84.022  545.890   87.336  156.288   15.211  174.936   14.125 -18.64754 20.75777 
1 1 1   17    7   18 o  105.187   11.999  198.222   44.589  191.220   62.075  205.687   64.091  103.266   17.007  107.108   16.930 -3.842354 23.99733 
1 1 1   17    7   20 o  184.850   11.314  610.966   73.582  534.168  101.651  695.505  106.651  172.564   16.666  197.136   15.307 -24.57199 22.62869 
1 1 1   17    7   22 o  234.916   11.390  989.732   94.524  956.485  131.160  1025.66  136.345  230.823   16.077  239.009   16.140 -8.186462 22.78085 
1 1 1   17    7   24 o  286.774   17.347  1511.30  175.622  1464.82  241.385  1563.56  255.994  282.253   24.196  291.294   24.864 -9.040802 34.69439 
1 1 1   17    7   26 o  188.503   14.661  651.501   94.429  644.322  153.912  655.835  119.580  186.820   23.309  190.186   17.789 -3.365936 29.32211 
1 1 1   17    7   28 f   43.537   12.529   17.268   29.039   32.746   32.417 -45.6105   65.336   45.401   16.110   41.673   19.193 3.727757 25.05797 
1 1 1   17    7   30 o   43.634   12.750   19.116   26.508   27.899   28.498 -37.2653   72.205   42.125   15.088   45.144   20.559 -3.019039 25.50078 
1 1 1   17    7   32 o   55.092   21.481 -92.9350   10.453 -97.0983   10.613   41.679   60.349  ?   ?    55.092   21.481      ?      ? 
1 1 1   17    7   34 o   41.163   13.315   6.5416   24.220   11.970   24.895 -89.5166  104.719   34.094   13.638   48.232   22.873 -14.13785 26.63034 
1 1 1   17    8    1 o  211.206   16.195  803.135  119.541  667.321  169.242  938.354  168.871  193.050   24.804  229.362   20.831 -36.31247 32.39090 
1 1 1   17    8    3 o  186.333   16.536  632.132  106.082  470.496  150.139  793.267  149.906  161.827   26.250  210.840   20.116 -49.01349 33.07113 
1 1 1   17    8    5 o  395.176   18.324  2833.37  252.680  2325.22  357.536  3340.44  357.152  358.829   28.191  431.522   23.417 -72.69354 36.64820 
1 1 1   17    8    7 o   66.961   13.229   69.186   39.673 -11.2337   56.027  150.059   56.185   43.830   19.138   90.092   18.270 -46.26220 26.45804 
1 1 1   17    8    9 o  326.766   14.192  1872.68  155.827  1787.41  190.680  2044.12  270.379  316.435   17.049  337.098   22.693 -20.66238 28.38404 
1 1 1   17    8   11 o   70.104   22.092   87.546   61.128   0.0000   0.0000   87.546   61.128  ?   ?    70.104   22.092      ?      ? 
1 1 1   17    8   13 f   38.702   15.278   14.875   30.851   14.875   30.851   0.0000   0.0000   38.702   15.278  ?   ?       ?      ? 
1 1 1   17    8   15 o  139.083   11.159  345.590   54.834  332.228   76.451  359.746   78.690  136.308   15.869  141.859   15.694 -5.551041 22.31884 
1 1 1   17    8   17 o   73.623   14.536   93.493   40.384  145.816   62.819   56.638   52.722   88.189   20.537   59.057   20.578 29.13176 29.07242 
1 1 1   17    8   19 o   77.007   14.627  104.441   39.361   86.817   48.702  137.635   66.838   68.469   19.296   85.545   21.986 -17.07590 29.25316 
1 1 1   17    8   21 o  399.535   11.936  2887.12  166.359  2341.23  233.526  3449.59  237.048  360.341   18.336  438.729   15.287 -78.38800 23.87244 
1 1 1   17    8   23 o  371.597   14.427  2408.31  180.661  2196.20  220.242  2844.59  315.866  348.780   17.866  394.413   22.659 -45.63275 28.85489 
1 1 1   17    8   25 o  212.641   14.647  840.998  104.537  774.330  173.676  878.873  130.906  204.717   24.003  220.564   16.792 -15.84691 29.29367 
1 1 1   17    8   27 o   79.488   16.741  114.184   52.502  168.613   77.788   68.642   71.154   93.450   23.558   65.527   23.791 27.92279 33.48125 
1 1 1   17    8   29 o  110.017   17.200  234.139   65.095  283.543   97.447  194.329   87.475  120.791   23.672   99.243   24.962 21.54854 34.40088 
1 1 1   17    8   31 o   44.634   13.497   9.9341   31.697   12.623   35.390  -0.9688   71.269   39.402   16.079   49.866   21.682 -10.46353 26.99358 
1 1 1   17    8   33 o  139.988   23.032  390.593  113.957  390.593  113.957   0.0000   0.0000  139.988   23.032  ?   ?       ?      ? 
1 1 1   17    9    0 o  160.620   14.929  495.639   73.991  395.138  129.787  544.030   90.059  146.236   26.066  175.005   14.560 -28.76932 29.85711 
1 1 1   17    9    2 o   9.0663   4.4170  -8.3456   4.5660   0.0000   0.0000  -8.3456   4.5660  ?   ?    9.0663   4.4170      ?      ? 
1 1 1   17    9    4 o  163.663   15.654  544.531   75.869  356.647  132.391  636.407   92.579  138.093   28.081  189.233   13.842 -51.13997 31.30722 
1 1 1   17    9    6 o  295.332   16.741  1572.78  174.173  1429.45  246.409  1715.90  246.226  281.609   24.757  309.055   22.541 -27.44592 33.48132 
1 1 1   17    9    8 o  297.623   17.376  1635.05  176.072  1140.63  248.777  2131.26  249.229  250.542   28.094  344.704   20.457 -94.16170 34.75245 
1 1 1   17    9   10 o  102.128   16.837  195.502   60.045  157.409   83.757  235.779   86.125   91.760   25.100  112.495   22.447 -20.73527 33.67352 
1 1 1   17    9   12 o   55.172   14.080   42.875   35.684   24.837   48.278   64.595   52.977   48.687   19.146   61.657   20.650 -12.96996 28.16017 
1 1 1   17    9   14 o  221.600   23.764  890.918  186.123   0.0000   0.0000  890.918  186.123  ?   ?   221.600   23.764      ?      ? 
1 1 1   17    9   16 o  163.165   22.989  483.040  132.576  483.040  132.576   0.0000   0.0000  163.165   22.989  ?   ?       ?      ? 
1 1 1   17    9   18 o  105.497   15.774  228.665   55.021  139.029   94.750  274.270   67.584   87.205   27.507  123.789   15.447 -36.58453 31.54707 
1 1 1   17    9   20 o  349.623   15.855  2271.57  182.410  2088.18  315.061  2364.03  223.719  336.781   26.468  362.465   17.463 -25.68475 31.71005 
1 1 1   17    9   22 o  111.481   16.732  232.336   63.568  269.807   96.688  203.809   84.363  119.419   23.744  103.543   23.580 15.87552 33.46315 
1 1 1   17    9   24 o  131.507   15.748  328.952   69.428  285.003  106.936  360.977   91.284  121.899   25.633  141.114   18.302 -19.21522 31.49641 
1 1 1   17    9   26 o   32.056   10.471 -21.6330   23.758 -19.4709   27.277 -28.4280   48.357   27.167   12.471   36.945   16.825 -9.777922 20.94270 
1 1 1   17    9   28 o  153.230   19.571  461.140   99.859  469.649  126.688  447.181  162.272  158.284   22.645  148.176   31.926 10.10776 39.14204 
1 1 1   17    9   30 o   43.903   13.078   3.6069   27.545  -3.7448   30.476   36.398   64.365   32.576   14.171   55.231   21.984 -22.65546 26.15531 
1 1 1   17    9   32 o   97.070   14.817  173.736   50.509  110.097   64.263  276.587   81.696   73.971   22.542  120.170   19.235 -46.19863 29.63335 
1 1 1   17   10    1 o  179.738   14.126  626.605   79.687  460.788  139.540  706.851   97.072  160.040   24.669  199.436   13.771 -39.39569 28.25239 
1 1 1   17   10    3 o  144.115   14.544  391.221   65.642  340.738  115.556  415.273   79.760  135.468   25.057  152.762   14.772 -17.29411 29.08744 
1 1 1   17   10    5 o  181.593   22.442  592.842  144.038  592.842  144.038   0.0000   0.0000  181.593   22.442  ?   ?       ?      ? 
1 1 1   17   10    7 o  240.625   17.536  1062.19  146.055  828.153  208.106  1289.37  205.033  213.470   27.582  267.779   21.663 -54.30940 35.07247 
1 1 1   17   10    9 o  265.195   14.929  1303.16  129.313  1160.91  224.731  1373.57  158.111  253.066   25.125  277.324   16.131 -24.25822 29.85757 
1 1 1   17   10   11 o   70.806   15.013   83.770   43.385   36.371   58.921  139.905   64.121   55.175   21.305   86.437   21.159 -31.26179 30.02696 
1 1 1   17   10   13 o   37.662   15.874   2.8221   36.090   2.8221   36.090   0.0000   0.0000   37.662   15.874  ?   ?       ?      ? 
1 1 1   17   10   15 o  202.177   16.343  740.051  116.185  642.461  160.189  848.375  168.768  187.911   24.119  216.443   22.061 -28.53212 32.68658 
1 1 1   17   10   17 o   69.686   17.177   71.710   51.885   43.306   66.299  116.598   83.344   58.876   22.637   80.497   25.842 -21.62017 34.35408 
1 1 1   17   10   19 o  286.764   17.023  1501.62  172.377  1414.35  239.590  1595.27  248.193  278.014   24.383  295.514   23.762 -17.50012 34.04660 
1 1 1   17   10   21 o  160.343   20.900  524.716  111.042  701.708  149.260  305.340  166.173  196.265   21.517  124.420   35.838 71.84492 41.80095 
1 1 1   17   10   23 o   44.470   12.944  -6.2073   32.330 -30.5176   39.119   46.180   57.426   32.039   14.790   56.901   21.248 -24.86257 25.88849 
1 1 1   17   10   25 o  198.247   14.885  743.717   99.443  640.468  160.086  808.591  126.894  185.369   24.434  211.125   17.005 -25.75597 29.76911 
1 1 1   17   10   27 o  113.693   16.306  250.190   63.047  244.325   93.494  255.081   85.380  111.951   24.324  115.435   21.724 -3.483543 32.61245 
1 1 1   17   10   29 o   61.531   15.139   64.381   43.517   97.688   55.644   11.927   69.829   71.138   20.810   51.923   21.993 19.21563 30.27763 
1 1 1   17   10   31 o   61.330   15.355   67.474   40.251   69.196   49.212   63.994   69.957   60.550   19.888   62.109   23.401 -1.558102 30.71077 
1 1 1   17   11    0 o  137.183   13.292  329.324   60.759  357.636  107.163  315.911   73.760  141.198   21.473  133.169   15.671 8.029419 26.58353 
1 1 1   17   11    2 o  121.268   17.402  307.396   67.348  178.949  119.773  366.785   81.442   99.105   30.874  143.431   16.065 -44.32574 34.80383 
1 1 1   17   11    4 f  141.482   16.641  369.051   80.185  297.712  112.761  442.026  114.047  126.017   26.173  156.946   20.559 -30.92941 33.28199 
1 1 1   17   11    6 o  321.613   17.113  2029.81  172.977  1474.59  299.944  2306.47  211.732  283.918   29.890  359.309   16.672 -75.39136 34.22559 
1 1 1   17   11    8 o  250.692   15.160  1176.54  123.399  1012.05  214.396  1258.02  150.899  236.027   25.700  265.357   16.089 -29.32971 30.32097 
1 1 1   17   11   10 o  191.463   14.455  677.109   90.753  612.011  157.252  709.618  111.126  183.663   24.224  199.262   15.779 -15.59918 28.91008 
1 1 1   17   11   12 o  175.001   14.393  561.793   82.800  524.347  144.124  580.241  101.161  169.899   24.001  180.103   15.892 -10.20357 28.78506 
1 1 1   17   11   14 o  379.890   25.402  2634.86  341.075  2634.86  341.075   0.0000   0.0000  379.890   25.402  ?   ?       ?      ? 
1 1 1   17   11   16 f  235.545   16.493  1008.88  137.275  984.406  191.584  1034.69  196.793  232.618   23.302  238.472   23.348 -5.853821 32.98678 
1 1 1   17   11   18 o  108.424   19.245  234.346   77.087  313.365  102.391  130.947  117.125  129.272   23.265   87.576   30.662 41.69627 38.48927 
1 1 1   17   11   20 o  189.865   17.936  673.922  118.395  748.928  160.432  584.222  175.444  202.492   22.416  177.238   28.007 25.25383 35.87283 
1 1 1   17   11   22 o   80.887   18.728  121.880   62.133  146.055   75.339   70.474  109.861   87.569   23.744   74.204   28.969 13.36493 37.45663 
1 1 1   17   11   24 o   89.401   18.934  154.246   63.159  162.781   77.944  137.926  107.781   91.935   23.801   86.867   29.452 5.067680 37.86716 
1 1 1   17   11   26 o  178.014   14.591  587.287   89.940  584.629  141.670  589.081  116.407  176.834   22.667  179.194   18.380 -2.360687 29.18211 
1 1 1   17   11   28 f   92.298   16.879  167.546   55.098  155.117   72.974  184.028   84.033   88.594   23.075   96.002   24.641 -7.408272 33.75882 
1 1 1   17   11   30 o  103.721   15.288  209.162   55.291  159.956   74.458  269.652   82.555   88.594   23.422  118.849   19.653 -30.25439 30.57514 
1 1 1   17   12    1 o  153.591   16.024  426.554   86.545  381.066  123.146  470.945  121.653  145.295   23.980  161.887   21.261 -16.59209 32.04830 
1 1 1   17   12    3 o  220.525   22.612  876.688  176.244   0.0000   0.0000  876.688  176.244  ?   ?   220.525   22.612      ?      ? 
1 1 1   17   12    5 o  305.122   15.276  1699.75  153.696  1612.17  267.226  1743.05  187.882  298.067   25.366  312.177   17.028 -14.11017 30.55104 
1 1 1   17   12    7 o  309.909   14.962  1750.47  153.143  1673.79  266.066  1788.46  187.276  303.654   24.791  316.165   16.759 -12.51047 29.92400 
1 1 1   17   12    9 o  160.201   13.994  457.147   74.678  476.153  130.478  447.889   91.069  162.185   22.762  158.217   16.285 3.968048 27.98763 
1 1 1   17   12   11 o  168.026   13.282  493.340   75.474  556.579  129.931  461.135   92.721  175.573   20.938  160.478   16.347 15.09471 26.56365 
1 1 1   17   12   13 f  282.734   14.235  1397.62  135.738  1592.47  235.499  1300.68  166.105  296.304   22.487  269.163   17.460 27.14142 28.46966 
1 1 1   17   12   15 o  352.298   24.645  2266.47  306.868   0.0000   0.0000  2266.47  306.868  ?   ?   352.298   24.645      ?      ? 
1 1 1   17   12   17 o  103.651   15.342  197.357   56.625  313.017   84.048  101.220   76.626  131.779   18.045   75.524   24.818 56.25534 30.68464 
1 1 1   17   12   19 o  353.248   24.930  2297.75  311.253  2297.75  311.253   0.0000   0.0000  353.248   24.930  ?   ?       ?      ? 
1 1 1   17   12   21 o   88.309   17.542  147.984   69.074  250.898   88.575 -11.7357  110.345  115.120   22.576   61.498   26.855 53.62234 35.08325 
1 1 1   17   12   23 o   74.616   18.452  100.210   63.222  140.528   70.322 -69.7600  144.385   85.642   22.820   63.590   29.003 22.05208 36.90401 
1 1 1   17   12   25 o  213.385   29.476  883.289  222.304   0.0000   0.0000  883.289  222.304  ?   ?   213.385   29.476      ?      ? 
1 1 1   17   12   27 o  152.139   20.879  435.397  112.273   0.0000   0.0000  435.397  112.273  ?   ?   152.139   20.879      ?      ? 
1 1 1   17   12   29 o   99.920   30.598  216.594  118.214   0.0000   0.0000  216.594  118.214  ?   ?    99.920   30.598      ?      ? 
1 1 1   17   13    0 o  216.184   14.139  838.562  101.291  841.649  177.197  837.063  123.448  215.875   23.224  216.493   16.133 -0.6181488 28.27766 
1 1 1   17   13    2 o  172.680   14.330  548.133   80.836  503.165  141.721  569.818   98.416  166.709   24.052  178.650   15.586 -11.94054 28.66082 
1 1 1   17   13    4 o  202.461   15.371  774.041  100.556  647.038  174.551  837.126  123.021  188.509   26.198  216.413   16.083 -27.90361 30.74111 
1 1 1   17   13    6 o  135.800   15.274  344.553   65.793  320.364  115.705  356.111   79.982  130.484   26.002  141.117   16.036 -10.63393 30.54884 
1 1 1   17   13    8 o  253.204   14.290  1150.22  120.631  1171.26  209.239  1139.75  147.637  254.122   23.296  252.286   16.557 1.835602 28.58034 
1 1 1   17   13   10 o  104.328   14.930  200.752   51.396  199.298   88.234  201.498   63.232  102.641   24.635  106.016   16.875 -3.374100 29.86038 
1 1 1   17   13   12 o  165.689   15.649  530.346   81.332  429.747  139.109  582.595  100.253  150.991   27.060  180.387   15.724 -29.39563 31.29736 
1 1 1   17   13   14 o  157.380   14.476  443.657   76.800  462.605  130.917  433.715   94.832  159.395   23.238  155.364   17.270 4.030655 28.95254 
1 1 1   17   13   16 o  163.990   16.725  483.573   96.939   0.0000   0.0000  483.573   96.939  ?   ?   163.990   16.725      ?      ? 
1 1 1   17   13   18 f  365.661   15.154  2359.03  188.509  2728.08  321.254  2165.22  232.801  385.588   23.572  345.734   19.051 39.85403 30.30864 
1 1 1   17   13   20 o  157.126   17.416  446.688   96.718   0.0000   0.0000  446.688   96.718  ?   ?   157.126   17.416      ?      ? 
1 1 1   17   13   22 o   60.338   27.090 -40.1646  120.178   0.0000   0.0000 -40.1646  120.178  ?   ?    60.338   27.090      ?      ? 
1 1 1   17   13   28 o   47.570   17.184   36.909   37.054   36.909   37.054   0.0000   0.0000   47.570   17.184  ?   ?       ?      ? 
1 1 1   17   13   30 o   35.918   13.925   16.534   25.246   16.534   25.246   0.0000   0.0000   35.918   13.925  ?   ?       ?      ? 
1 1 1   17   14    1 o  302.757   14.581  1663.06  146.128  1615.55  253.908  1686.58  178.686  298.464   24.069  307.051   16.465 -8.586243 29.16206 
1 1 1   17   14    3 o   93.088   15.125  150.963   46.433  202.195   82.330  127.066   56.229  103.734   23.053   82.442   19.587 21.29272 30.25050 
1 1 1   17   14    5 o  209.246   14.348  775.026  100.583  833.712  174.988  746.069  122.919  214.453   23.086  204.038   17.045 10.41440 28.69666 
1 1 1   17   14    7 o   83.447   14.095  136.233   40.714   94.767   70.798  156.723   49.767   73.252   23.845   93.641   15.037 -20.38863 28.19007 
1 1 1   17   14    9 o   72.678   12.340   77.737   30.408  165.534   57.647   43.890   35.793   94.500   17.915   50.857   16.974 43.64254 24.67910 
1 1 1   17   14   11 f  160.818   13.209  482.773   70.644  409.509  116.764  525.075   88.724  150.262   21.986  171.374   14.648 -21.11200 26.41840 
1 1 1   17   14   13 o  128.535   15.449  307.884   66.378  291.406  106.007  318.512   85.133  124.100   25.032  132.969   18.114 -8.869728 30.89867 
1 1 1   17   14   17 o  332.179   17.809  1993.87  209.092   0.0000   0.0000  1993.87  209.092  ?   ?   332.179   17.809      ?      ? 
1 1 1   17   14   19 o  108.693   25.432  227.841   95.968   0.0000   0.0000  227.841   95.968  ?   ?   108.693   25.432      ?      ? 
1 1 1   17   14   21 o  153.493   23.445  438.189  127.194   0.0000   0.0000  438.189  127.194  ?   ?   153.493   23.445      ?      ? 
1 1 1   17   14   23 o   74.874   16.495  106.710   48.502  118.600   63.465   90.015   75.205   78.521   21.992   71.228   24.590 7.293770 32.98987 
1 1 1   17   14   25 o   48.502   14.074   19.760   38.935   50.805   40.862 -286.2422  128.289   53.698   18.135   43.305   21.528 10.39362 28.14868 
1 1 1   17   14   27 o   93.647   20.217  198.384   73.833  228.199   84.811  105.066  150.043  106.255   23.231   81.039   33.094 25.21517 40.43369 
1 1 1   17   14   29 o   72.160   18.957   92.987   50.926   91.773   54.709  100.864  139.365   67.596   20.835   76.723   31.676 -9.126495 37.91404 
1 1 1   17   15    0 o   42.804   11.338   24.040   21.131   26.280   40.983   23.229   24.662   46.424   17.810   39.184   14.035 7.239487 22.67550 
1 1 1   17   15    2 o  237.300   16.389  1021.28  137.443  1004.46  192.790  1038.66  195.996  235.313   23.180  239.288   23.174 -3.974319 32.77766 
1 1 1   17   15    4 o   38.635   11.368   3.1351   20.080   25.403   48.367  -1.5020   22.072   48.806   19.173   28.464   12.219 20.34177 22.73575 
1 1 1   17   15    6 o  200.288   14.733  739.235   98.069  680.458  166.451  770.487  121.372  193.252   24.369  207.324   16.563 -14.07162 29.46542 
1 1 1   17   15    8 o   77.520   14.449  102.999   41.203  167.853   65.645   60.840   52.927   94.695   20.228   60.345   20.638 34.34991 28.89797 
1 1 1   17   15   10 f  103.387   16.744  191.884   61.187   0.0000   0.0000  191.884   61.187  ?   ?   103.387   16.744      ?      ? 
1 1 1   17   15   12 o  139.453   18.543  351.006   91.396   0.0000   0.0000  351.006   91.396  ?   ?   139.453   18.543      ?      ? 
1 1 1   17   15   14 o   57.402   20.021   53.910   49.912   0.0000   0.0000   53.910   49.912  ?   ?    57.402   20.021      ?      ? 
1 1 1   17   15   16 o  141.471   22.502  366.933  112.516   0.0000   0.0000  366.933  112.516  ?   ?   141.471   22.502      ?      ? 
1 1 1   17   15   18 o  241.618   16.507  1079.42  140.969  1076.60  198.771  1082.27  199.954  241.319   23.305  241.917   23.385 -0.5977936 33.01485 
1 1 1   17   15   20 o  107.444   16.205  221.015   59.264  228.508   89.994  215.277   78.751  108.712   24.058  106.175   21.717 2.536255 32.41041 
1 1 1   17   15   22 o   48.203   12.890   29.548   31.753   51.187   40.956  -3.0581   50.274   54.104   18.156   42.303   18.302 11.80135 25.77980 
1 1 1   17   15   24 o   69.661   15.063   93.144   40.470   94.632   54.979   91.383   59.792   70.061   20.739   69.261   21.851 0.8002090 30.12624 
1 1 1   17   15   26 o  103.079   16.572  215.816   58.967  222.689   85.383  209.549   81.534  104.564   23.656  101.594   23.214 2.970009 33.14364 
1 1 1   17   16    1 o  408.651   18.295  3053.32  263.724  2809.32  369.252  3307.38  376.788  391.551   26.682  425.750   25.039 -34.19821 36.59071 
1 1 1   17   16    3 o  322.665   13.889  1977.98  145.366  1595.82  247.698  2178.76  179.534  296.154   23.664  349.177   14.547 -53.02328 27.77769 
1 1 1   17   16    5 o  111.559   17.526  223.603   69.104   0.0000   0.0000  223.603   69.104  ?   ?   111.559   17.526      ?      ? 
1 1 1   17   16    7 o  399.748   16.350  2866.49  231.011   0.0000   0.0000  2866.49  231.011  ?   ?   399.748   16.350      ?      ? 
1 1 1   17   16    9 o  134.789   21.826  330.422  103.980   0.0000   0.0000  330.422  103.980  ?   ?   134.789   21.826      ?      ? 
1 1 1   17   16   11 o  131.901   21.931  317.079  102.240   0.0000   0.0000  317.079  102.240  ?   ?   131.901   21.931      ?      ? 
1 1 1   17   16   13 o  277.117   16.540  1410.97  161.643  1519.25  228.971  1303.39  228.227  288.120   22.485  266.115   24.265 22.00436 33.08086 
1 1 1   17   16   15 o   45.424   12.359   25.085   28.068   19.224   39.746   30.915   39.644   43.654   17.307   47.195   17.648 -3.541157 24.71807 
1 1 1   17   16   17 o  173.846   22.610  558.580  138.929   0.0000   0.0000  558.580  138.929  ?   ?   173.846   22.610      ?      ? 
1 1 1   17   16   19 o  123.294   17.050  292.464   71.534  278.809   97.955  308.067  104.711  120.232   23.893  126.355   24.329 -6.122581 34.09954 
1 1 1   17   16   21 o   90.689   16.045  159.977   51.224  172.695   75.375  149.062   69.827   93.968   22.903   87.410   22.476 6.557381 32.08952 
1 1 1   17   16   23 o  128.406   15.587  318.410   68.829  321.807  102.781  315.648   92.680  127.547   23.671  129.265   20.285 -1.717728 31.17377 
1 1 1   17   16   25 o   42.329   10.725   6.4445   15.587  -2.7028   16.656   70.896   44.212   23.961   10.449   60.697   18.733 -36.73608 21.45047 
1 1 1   17   17    0 o   95.799   29.979  170.081  112.785   0.0000   0.0000  170.081  112.785  ?   ?    95.799   29.979      ?      ? 
1 1 1   17   17    6 o  191.358   22.188  666.761  150.068   0.0000   0.0000  666.761  150.068  ?   ?   191.358   22.188      ?      ? 
1 1 1   17   17    8 o  109.598   15.356  225.428   58.111  317.119   84.013  141.321   80.464  132.584   17.928   86.613   24.935 45.97096 30.71128 
1 1 1   17   17   10 o  211.365   14.038  827.326   99.787  753.136  164.671  870.380  125.443  202.773   22.977  219.957   16.136 -17.18333 28.07645 
1 1 1   17   17   12 o  379.792   14.660  2576.89  188.893  2826.25  320.836  2444.60  233.688  392.096   23.151  367.488   17.992 24.60764 29.32023 
1 1 1   17   17   14 o  190.418   14.266  662.581   93.197  663.556  150.898  661.980  118.499  189.761   22.499  191.076   17.546 -1.314545 28.53188 
1 1 1   17   17   16 f   68.572   14.909   84.072   40.977  118.680   59.489   52.826   56.525   78.896   20.973   58.247   21.196 20.64939 29.81845 
1 1 1   17   17   18 o   89.453   16.728  153.857   54.403  194.276   79.458  118.189   74.643  100.088   22.951   78.818   24.343 21.26972 33.45654 
1 1 1   17   17   20 o  181.275   14.944  612.532   94.083  641.146  148.608  593.392  121.542  183.874   22.867  178.676   19.246 5.197311 29.88800 
1 1 1   17   17   22 o   70.967   15.976   98.247   45.366  110.192   59.219   81.279   70.579   74.811   21.347   67.123   23.775 7.687653 31.95227 
1 1 1   17   17   24 o   75.338   16.164  115.233   46.746  119.128   62.843  110.409   69.945   76.673   22.025   74.002   23.665 2.670494 32.32850 
1 1 1   17   18    1 o  250.040   23.146  1141.37  204.554  1141.37  204.554   0.0000   0.0000  250.040   23.146  ?   ?       ?      ? 
1 1 1   17   18    3 o   71.114   22.286   91.746   62.303   91.746   62.303   0.0000   0.0000   71.114   22.286  ?   ?       ?      ? 
1 1 1   17   18    5 o  117.008   17.025  213.628   65.769  141.320   77.538  399.061  124.170   86.489   24.339  147.527   23.814 -61.03852 34.05073 
1 1 1   17   18    7 o  191.105   13.250  667.435   85.943  637.549  141.057  685.078  108.382  186.992   21.343  195.219   15.708 -8.226974 26.50009 
1 1 1   17   18    9 o  315.647   13.948  1871.94  146.159  1616.13  243.422  2016.16  182.773  296.496   23.229  334.799   15.446 -38.30316 27.89503 
1 1 1   17   18   11 o  340.543   14.324  2131.77  163.724  2074.49  276.407  2162.73  203.209  335.175   23.332  345.910   16.621 -10.73505 28.64707 
1 1 1   17   18   13 f  117.087   16.449  260.873   66.570  310.392   93.852  210.730   94.440  130.065   20.416  104.108   25.797 25.95675 32.89821 
1 1 1   17   18   15 o  111.465   23.234  239.462   88.568  239.462   88.568   0.0000   0.0000  111.465   23.234  ?   ?       ?      ? 
1 1 1   17   18   17 o   64.939   11.020   68.432   24.814  125.994   43.520   40.705   30.204   81.951   15.595   47.927   15.573 34.02457 22.03913 
1 1 1   17   18   19 o   40.620   9.6662   20.158   17.695   50.505   28.378   0.8507   22.635   51.899   14.766   29.340   12.478 22.55874 19.33243 
1 1 1   17   18   21 o  106.581   12.473  213.543   44.034  224.126   73.557  207.633   54.972  106.995   20.191  106.167   14.650 0.8285370 24.94598 
1 1 1   17   18   23 o   45.658   11.075   36.792   21.910   25.250   33.883   45.085   28.723   42.359   16.207   48.957   15.097 -6.597580 22.14962 
1 1 1   17   19    0 o   90.257   12.172  139.449   37.324  229.206   60.658   84.760   47.349  113.012   15.186   67.502   19.027 45.51006 24.34452 
1 1 1   17   19    2 o  277.624   13.297  1377.53  125.392  1460.72  210.957  1332.08  155.926  283.168   21.078  272.079   16.214 11.08954 26.59307 
1 1 1   17   19    4 o   59.734   13.779   60.205   36.995   7.6047   58.253   95.762   47.894   48.052   20.205   71.416   18.739 -23.36389 27.55750 
1 1 1   17   19    6 o  194.243   11.573  670.492   77.696  727.324  125.630  635.291   98.872  200.472   17.730  188.015   14.879 12.45757 23.14607 
1 1 1   17   19    8 o   99.632   11.791  178.076   39.808  239.005   61.022  132.936   52.524  115.222   14.984   84.042   18.209 31.17976 23.58123 
1 1 1   17   19   10 o  205.072   11.010  737.680   72.255  812.019  137.391  709.259   84.952  211.126   18.412  199.019   12.077 12.10675 22.01926 
1 1 1   17   19   12 o   43.279   10.428   31.214   18.077   28.629   33.394   32.286   21.499   44.182   16.259   42.377   13.061 1.804180 20.85533 
1 1 1   17   19   14 o   54.205   11.230   48.828   22.131   75.603   38.706   35.824   26.975   63.253   16.964   45.158   14.720 18.09559 22.45971 
1 1 1   17   19   16 o  153.383   11.900  423.184   59.162  455.556  109.297  409.767   70.362  156.327   19.781  150.439   13.233 5.888565 23.79926 
1 1 1   17   19   18 o   40.816   13.935   28.352   24.130   0.0000   0.0000   28.352   24.130  ?   ?    40.816   13.935      ?      ? 
1 1 1   17   19   20 o   34.097   9.2047   15.410   15.433   11.399   23.618   18.399   20.388   33.385   13.308   34.809   12.720 -1.424438 18.40939 
1 1 1   17   19   22 o  151.993   11.971  429.804   60.173  468.298  107.156  412.075   72.721  155.042   19.554  148.944   13.814 6.098373 23.94159 
1 1 1   17   20    1 o  198.672   16.039  694.491  110.167  552.136  140.426  922.342  177.659  173.241   22.934  224.103   22.429 -50.86139 32.07869 
1 1 1   17   20    3 o   16.440   6.2033 -14.0281   4.1154 -18.3272   24.902 -13.9073   4.1727   25.874   11.891   7.0074   3.5380 18.86615 12.40662 
1 1 1   17   20    5 o  128.054   13.632  299.461   60.771  297.267   94.155  301.028   79.563  127.294   20.927  128.814   17.475 -1.520378 27.26431 
1 1 1   17   20    7 f   88.093   13.881  147.487   41.765  144.928   64.040  149.381   55.094   87.106   21.038   89.079   18.116 -1.973068 27.76272 
1 1 1   17   20    9 o  207.162   15.652  806.045  111.856  1004.26  158.797  610.840  157.588  233.990   19.201  180.335   24.724 53.65479 31.30444 
1 1 1   17   20   11 o  106.969   12.626  207.947   44.294  228.363   76.487  197.645   54.332  109.485   20.520  104.453   14.717 5.032837 25.25151 
1 1 1   17   20   13 o  174.287   12.322  544.724   72.462  606.442  124.892  513.404   88.968  180.651   19.560  167.924   14.990 12.72765 24.64344 
1 1 1   17   20   15 o   41.438   8.4766   29.921   16.505 -13.0379   26.947   55.712   20.880   28.232   12.738   54.644   11.187 -26.41177 16.95321 
1 1 1   17   20   17 o   80.609   13.312  125.280   35.534  132.212   62.186  121.919   43.299   81.386   21.352   79.832   15.904 1.554451 26.62402 
1 1 1   17   20   19 o   26.852   7.8086   4.3090   11.920   1.3043   16.175   7.8807   17.635   25.032   10.593   28.671   11.475 -3.638855 15.61714 
1 1 1   17   21    0 o   73.547   11.736   92.027   32.504  171.029   50.507   36.175   42.467   97.431   14.667   49.662   18.326 47.76892 23.47220 
1 1 1   17   21    2 o  102.234   17.493  106.828   49.505   63.237   53.009  404.223  138.458   60.604   20.654  143.864   28.238 -83.25983 34.98556 
1 1 1   17   21    4 o  113.747   21.398  260.478   81.082  268.316   94.018  237.727  160.176  118.239   23.326  109.255   35.881 8.983650 42.79615 
1 1 1   17   21    6 o  160.332   22.205  478.600  125.834  478.600  125.834   0.0000   0.0000  160.332   22.205  ?   ?       ?      ? 
1 1 1   17   21    8 o  116.983   19.892  255.770   74.544  231.773   87.330  320.191  143.091  109.199   23.335  124.767   32.223 -15.56864 39.78482 
1 1 1   17   21   10 o  107.079   12.746  214.520   46.698  213.595   70.814  215.231   62.118  105.723   19.675  108.436   16.208 -2.712776 25.49119 
1 1 1   17   21   12 o  163.655   14.077  498.118   79.796  529.105  127.485  478.158  102.317  166.932   21.607  160.379   18.050 6.552948 28.15467 
1 1 1   17   21   14 o   85.626   11.442  139.479   31.859  134.744   55.034  141.865   39.072   82.968   19.155   88.284   12.522 -5.315987 22.88461 
1 1 1   17   21   16 o  125.376   13.021  272.071   54.303  387.335   99.654  223.390   64.763  141.783   19.886  108.968   16.815 32.81483 26.04244 
1 1 1   17   22    1 o  122.076   14.941  271.128   61.981  361.563   97.349  209.476   80.378  140.004   19.673  104.148   22.493 35.85622 29.88273 
1 1 1   17   22    3 o   79.085   14.298  119.187   41.581  165.786   59.767   75.474   57.886   93.397   18.757   64.774   21.584 28.62341 28.59546 
1 1 1   17   22    5 o   44.395   11.324   23.995   25.783 -14.5290   39.022   53.843   34.348   34.757   15.533   54.033   16.484 -19.27595 22.64892 
1 1 1   17   22    7 o   41.632   15.714   23.933   31.578   23.933   31.578   0.0000   0.0000   41.632   15.714  ?   ?       ?      ? 
1 1 1   17   22    9 o  103.265   18.231  159.943   56.434  116.241   62.634  348.468  130.091   76.926   21.954  129.605   29.110 -52.67983 36.46116 
1 1 1   17   22   11 o  140.148   17.249  341.395   78.166  259.892   92.148  550.523  147.606  113.612   23.714  166.684   25.055 -53.07195 34.49777 
1 1 1   17   22   13 o   86.140   19.319  171.346   73.677  220.482   83.093  -9.3368  159.341  103.937   23.206   68.343   30.892 35.59368 38.63720 
1 1 1   17   22   15 o   73.259   14.222  107.212   37.997  125.781   56.422   91.803   51.399   78.820   20.170   67.697   20.056 11.12334 28.44376 
1 1 1   17   23    0 f   54.793   11.633   49.790   27.104   90.959   39.426   12.896   37.323   69.115   16.388   40.471   16.514 28.64360 23.26552 
1 1 1   17   23    2 o  157.254   12.611  453.438   69.249  487.527  107.970  429.616   90.258  161.787   18.882  152.720   16.721 9.067108 25.22136 
1 1 1   17   23    4 o   44.065   11.061   27.527   23.603   0.0000   34.798   50.983   32.122   35.764   15.347   52.366   15.933 -16.60200 22.12239 
1 1 1   17   23    6 o   61.671   12.678   71.121   29.806   94.125   43.982   51.584   40.533   69.686   17.795   53.656   18.062 16.03038 25.35524 
1 1 1   17   23    8 o  124.578   15.505  298.232   66.200  364.541  102.177  250.260   86.908  137.522   21.021  111.634   22.797 25.88791 31.00969 
1 1 1   17   23   10 o   64.488   13.542   81.426   33.072   84.781   48.175   78.435   45.482   65.635   19.410   63.340   18.889 2.295071 27.08388 
1 1 1   17   23   12 o   40.318   14.317   27.046   25.610   0.0000   0.0000   27.046   25.610  ?   ?    40.318   14.317      ?      ? 
1 1 1   17   24    1 o   81.121   14.348  128.258   40.953  152.141   61.934  109.702   54.591   87.708   20.369   74.534   20.213 13.17336 28.69592 
1 1 1   17   24    3 o  127.951   15.351  318.893   67.197  338.932  103.681  304.378   88.239  129.772   23.468  126.129   19.794 3.643349 30.70105 
1 1 1   17   24    5 o   26.657   7.7989   2.7939   12.304  -4.9781   17.770   9.9523   17.054   24.039   10.627   29.275   11.418 -5.236088 15.59782 
1 1 1   17   24    7 o  123.332   22.315  308.287   93.693   0.0000   0.0000  308.287   93.693  ?   ?   123.332   22.315      ?      ? 
1 1 1   17   25    0 o  207.033   14.172  827.947  100.642  858.817  163.795  809.223  127.562  207.860   22.295  206.206   17.503 1.654327 28.34449 
1 1 1   17   25    2 o   74.914   20.315  113.765   55.147   0.0000   0.0000  113.765   55.147  ?   ?    74.914   20.315      ?      ? 
1 1 1   18    0   22 o   54.370   21.640   72.455   89.400   72.455   89.400   72.455   89.400   54.370   30.603   54.370   30.603 -0.000000 0.000000 
1 1 1   18    0   24 o  184.606   20.506  659.630  175.271  659.630  175.271  659.630  175.271  184.606   29.000  184.606   29.000 -0.000000 0.000000 
1 1 1   18    0   28 o  131.728   24.642  377.434  140.182  377.434  140.182  377.434  140.182  131.728   34.850  131.728   34.850 -0.000000 0.000000 
1 1 1   18    0   32 o   63.364   21.547  111.996   78.943  111.996   78.943  111.996   78.943   63.364   30.472   63.364   30.472 -0.000000 0.000000 
1 1 1   18    0   34 o   38.147   16.806   22.778   65.016   22.778   65.016   22.778   65.016   38.147   23.768   38.147   23.768 -0.000000 0.000000 
1 1 1   18    1   19 o   45.917   20.043 -10.9520   61.420 -10.9520   61.420   0.0000   0.0000   45.917   20.043  ?   ?       ?      ? 
1 1 1   18    1   21 o  134.683   27.890  345.312  128.395  345.312  128.395   0.0000   0.0000  134.683   27.890  ?   ?       ?      ? 
1 1 1   18    1   23 o  138.607   29.422  369.836  139.682  369.836  139.682   0.0000   0.0000  138.607   29.422  ?   ?       ?      ? 
1 1 1   18    1   25 o  151.005   23.676  419.139  126.365   0.0000   0.0000  419.139  126.365  ?   ?   151.005   23.676      ?      ? 
1 1 1   18    1   27 o  106.144   27.197  219.561  102.494   0.0000   0.0000  219.561  102.494  ?   ?   106.144   27.197      ?      ? 
1 1 1   18    1   29 o   77.707   18.419  107.453   60.532  142.607   88.279   76.258   83.160   86.073   26.456   69.342   25.633 16.73065 36.83700 
1 1 1   18    1   31 o   96.297   19.196  188.262   70.485  129.542  101.727  242.482   97.752   82.580   28.594  110.013   25.618 -27.43324 38.39149 
1 1 1   18    1   33 o  110.463   19.477  256.581   76.141  214.921  104.044  304.619  111.726  100.308   28.181  120.618   26.893 -20.30945 38.95386 
1 1 1   18    2    8 o  217.475   22.581  847.540  173.571  847.540  173.571   0.0000   0.0000  217.475   22.581  ?   ?       ?      ? 
1 1 1   18    2   12 o  126.275   25.467  298.192  109.739  298.192  109.739   0.0000   0.0000  126.275   25.467  ?   ?       ?      ? 
1 1 1   18    2   14 o  136.208   25.385  346.597  117.712  346.597  117.712   0.0000   0.0000  136.208   25.385  ?   ?       ?      ? 
1 1 1   18    2   16 o  127.228   26.108  304.943  113.464  304.943  113.464   0.0000   0.0000  127.228   26.108  ?   ?       ?      ? 
1 1 1   18    2   18 o  188.277   22.834  642.668  151.949   0.0000   0.0000  642.668  151.949  ?   ?   188.277   22.834      ?      ? 
1 1 1   18    2   20 o   79.807   18.207  112.972   57.445  119.385   92.047  108.880   73.519   82.178   27.210   77.435   24.200 4.742630 36.41439 
1 1 1   18    2   22 o   78.245   18.579  108.662   62.301   52.894  104.813  139.131   77.473   70.456   28.050   86.034   24.370 -15.57791 37.15766 
1 1 1   18    2   24 o  207.248   18.364  812.014  130.513  614.469  188.871  992.548  180.556  181.241   29.484  233.255   21.901 -52.01384 36.72818 
1 1 1   18    2   26 f  177.630   17.296  584.010  108.585  578.177  153.547  589.845  153.577  176.702   24.586  178.559   24.335 -1.856934 34.59230 
1 1 1   18    2   28 o   59.774   16.163   30.648   52.013   94.572   75.124 -28.2103   72.085   72.804   24.589   46.744   20.984 26.05999 32.32577 
1 1 1   18    2   30 o  156.593   18.412  477.078   98.980  418.721  139.439  536.349  140.527  144.854   28.250  168.332   23.620 -23.47742 36.82317 
1 1 1   18    2   32 o   62.135   16.815   59.023   51.819   70.258   70.198   45.570   76.814   64.270   23.586   60.000   23.973 4.270275 33.62981 
1 1 1   18    2   34 o   35.088   16.532 -89.0847   13.700 -91.8930   14.180 -49.7488   53.071  ?   ?    35.088   16.532      ?      ? 
1 1 1   18    3    1 o  303.649   23.542  1644.06  252.661  1644.06  252.661   0.0000   0.0000  303.649   23.542  ?   ?       ?      ? 
1 1 1   18    3    3 o   88.933   23.952  146.035   76.971  146.035   76.971   0.0000   0.0000   88.933   23.952  ?   ?       ?      ? 
1 1 1   18    3    5 o  133.535   24.241  328.767  110.198  328.767  110.198   0.0000   0.0000  133.535   24.241  ?   ?       ?      ? 
1 1 1   18    3    7 o  528.784   28.253  5045.33  528.036  5045.33  528.036   0.0000   0.0000  528.784   28.253  ?   ?       ?      ? 
1 1 1   18    3    9 o   43.022   17.478   13.160   41.579   13.160   41.579   0.0000   0.0000   43.022   17.478  ?   ?       ?      ? 
1 1 1   18    3   11 o   63.624   21.590   67.571   57.916   0.0000   0.0000   67.571   57.916  ?   ?    63.624   21.590      ?      ? 
1 1 1   18    3   13 o  130.891   18.329  328.503   82.245  214.801  119.298  431.493  113.540  106.839   30.233  154.943   20.733 -48.10492 36.65894 
1 1 1   18    3   15 o   72.144   17.522   86.423   53.557   92.584   81.818   81.804   70.844   74.447   25.652   69.840   23.877 4.607750 35.04451 
1 1 1   18    3   17 o   67.382   17.062   71.112   50.693   67.827   81.689   73.170   64.646   68.458   25.386   66.306   22.804 2.151230 34.12430 
1 1 1   18    3   19 o  391.510   18.999  2837.14  258.933  2300.67  367.381  3366.70  365.004  352.944   29.450  430.075   24.012 -77.13098 37.99885 
1 1 1   18    3   21 o  367.215   18.564  2489.75  238.836  2140.75  339.682  2830.98  335.880  340.546   28.221  393.884   24.127 -53.33765 37.12860 
1 1 1   18    3   23 o  119.730   14.131  232.760   55.218  153.391   66.873  402.820   97.887   90.120   21.327  149.340   18.545 -59.22033 28.26222 
1 1 1   18    3   25 o  132.668   15.932  312.523   68.610  285.557   82.656  372.266  123.030  125.524   18.631  139.812   25.849 -14.28735 31.86344 
1 1 1   18    3   27 o   50.211   14.961   14.589   41.621   28.580   47.406 -32.4671   86.939   49.001   19.057   51.422   23.067 -2.420815 29.92129 
1 1 1   18    3   29 o   89.453   17.825  167.091   58.917  195.649   69.452   93.790  111.270  101.342   20.100   77.563   29.443 23.77991 35.64968 
1 1 1   18    3   31 o   76.720   17.039  118.312   50.324  133.829   58.523   74.278   98.584   82.891   20.168   70.549   27.470 12.34208 34.07823 
1 1 1   18    3   33 o   84.470   17.104  127.890   49.314  100.498   57.617  202.915   95.356   71.092   21.274   97.848   26.789 -26.75566 34.20824 
1 1 1   18    4    0 f  131.539   24.529  318.544  109.844  318.544  109.844   0.0000   0.0000  131.539   24.529  ?   ?       ?      ? 
1 1 1   18    4    2 o  141.660   22.596  358.037  113.137  358.037  113.137   0.0000   0.0000  141.660   22.596  ?   ?       ?      ? 
1 1 1   18    4    4 o  321.584   23.759  1850.22  270.051   0.0000   0.0000  1850.22  270.051  ?   ?   321.584   23.759      ?      ? 
1 1 1   18    4    6 o   71.257   15.358   89.561   42.181  107.431   63.247   75.247   56.608   76.653   22.119   65.862   21.313 10.79112 30.71626 
1 1 1   18    4    8 o  281.526   16.505  1423.54  164.223  1427.55  233.764  1419.62  230.757  281.894   23.462  281.157   23.221 0.7373047 33.01075 
1 1 1   18    4   10 o  209.181   23.416  787.746  173.121  787.746  173.121   0.0000   0.0000  209.181   23.416  ?   ?       ?      ? 
1 1 1   18    4   12 o   82.365   17.898  122.305   56.576  128.665   87.646  117.763   74.075   84.430   26.429   80.301   24.142 4.129303 35.79556 
1 1 1   18    4   16 o  173.902   13.627  541.678   79.153  537.290   97.066  550.387  136.747  173.341   15.843  174.464   22.176 -1.122818 27.25450 
1 1 1   18    4   18 o  116.599   14.981  241.864   57.329  225.053   69.961  276.226  100.022  111.962   17.679  121.237   24.190 -9.274788 29.96198 
1 1 1   18    4   20 o  175.245   16.210  557.215  100.148  544.522  136.226  572.144  147.734  173.218   22.251  177.272   23.579 -4.053574 32.42000 
1 1 1   18    4   22 o  125.458   16.571  282.871   73.478  282.871   73.478   0.0000   0.0000  125.458   16.571  ?   ?       ?      ? 
1 1 1   18    4   24 o   86.198   15.557  157.801   54.790  221.107   65.270   6.7662  100.817  110.786   16.669   61.610   26.272 49.17593 31.11410 
1 1 1   18    4   26 o  155.974   14.627  408.078   76.609  332.295   92.351  575.297  137.183  135.034   19.350  176.913   21.939 -41.87895 29.25310 
1 1 1   18    4   28 o  105.842   18.062  227.549   62.265  244.689   72.038  176.925  123.804  115.837   17.595   95.848   31.548 19.98869 36.12307 
1 1 1   18    4   30 o   36.401   15.802  -3.8639   37.734  -3.8639   37.734   0.0000   0.0000   36.401   15.802  ?   ?       ?      ? 
1 1 1   18    4   32 o   91.771   17.415  180.353   55.134  195.858   64.230  136.940  107.473  100.553   18.763   82.989   29.345 17.56405 34.83041 
1 1 1   18    4   34 o   62.109   17.245   58.555   50.269   52.692   58.583   74.926   97.891   56.490   21.383   67.728   27.062 -11.23843 34.49026 
1 1 1   18    5    1 o  317.403   16.935  1801.55  189.831  1726.72  269.356  1875.39  267.576  310.765   24.523  324.041   23.363 -13.27527 33.87045 
1 1 1   18    5    3 o  521.839   20.035  4904.63  368.847  4575.21  522.144  5232.75  521.113  504.004   29.311  539.673   27.320 -35.66907 40.06916 
1 1 1   18    5    5 o  169.574   16.019  516.452   95.702  478.568  137.055  552.498  133.692  163.378   23.735  175.769   21.520 -12.39055 32.03816 
1 1 1   18    5    7 o  177.666   16.485  572.240  102.319  481.280  146.373  659.160  143.085  163.470   25.334  191.861   21.100 -28.39108 32.97008 
1 1 1   18    5    9 o  159.945   17.770  481.148   94.493  339.930  134.948  616.992  132.356  134.307   29.256  185.583   20.178 -51.27620 35.53992 
1 1 1   18    5   13 o  322.907   17.924  1906.22  202.547  1621.21  288.402  2183.62  284.526  298.209   27.363  347.604   23.159 -49.39459 35.84747 
1 1 1   18    5   15 o  102.072   18.777  198.194   68.387  180.577  102.026  212.567   92.154   98.040   28.034  106.104   24.986 -8.063248 37.55307 
1 1 1   18    5   17 o  261.749   13.498  1175.62  119.299  1053.22  145.449  1427.27  208.546  242.387   16.978  281.112   20.990 -38.72520 26.99644 
1 1 1   18    5   19 o  271.347   14.569  1303.88  132.292  1250.01  161.362  1414.33  231.044  263.857   17.303  278.837   23.444 -14.97952 29.13738 
1 1 1   18    5   21 o  283.038   14.237  1404.87  134.797  1317.17  163.676  1589.75  237.640  270.662   17.110  295.413   22.760 -24.75092 28.47360 
1 1 1   18    5   23 o  190.900   17.284  669.466  116.538  635.843  162.972  704.649  166.712  185.888   24.805  195.912   24.076 -10.02431 34.56807 
1 1 1   18    5   25 o  174.910   17.345  569.954  106.380  619.656  146.497  514.511  154.728  183.635   22.571  166.184   26.343 17.45122 34.68984 
1 1 1   18    5   27 o  106.919   16.305  203.887   56.903  171.962   68.770  273.200  101.331   94.930   21.048  118.908   24.908 -23.97787 32.61079 
1 1 1   18    5   29 o  107.017   14.199  217.113   51.655  223.279   67.611  208.467   80.057  110.378   17.331  103.655   22.498 6.722977 28.39883 
1 1 1   18    5   31 o   47.660   13.832   18.719   37.477   27.705   51.394   8.5143   54.767   49.297   19.637   46.022   19.484 3.275093 27.66313 
1 1 1   18    5   33 o   69.953   17.109   79.882   51.853   39.284   64.731  152.583   86.623   54.934   21.986   84.972   26.221 -30.03820 34.21877 
1 1 1   18    6    0 o  223.471   13.626  875.311  101.028  930.075  178.908  849.673  122.413  228.242   22.178  218.699   15.836 9.543304 27.25138 
1 1 1   18    6    2 o  281.294   14.923  1452.14  136.838  1307.15  239.729  1522.20  166.654  269.985   25.122  292.602   16.115 -22.61740 29.84653 
1 1 1   18    6    4 o  576.192   21.229  6024.06  430.436  5393.45  609.184  6652.78  608.275  545.263   31.610  607.121   28.347 -61.85803 42.45851 
1 1 1   18    6    6 o  334.864   24.086  2016.28  285.066   0.0000   0.0000  2016.28  285.066  ?   ?   334.864   24.086      ?      ? 
1 1 1   18    6    8 o  187.627   16.071  635.697  105.958  561.725  150.577  708.253  149.128  176.563   24.129  198.690   21.236 -22.12688 32.14263 
1 1 1   18    6   10 o  213.169   15.973  818.353  120.335  821.035  171.313  815.740  169.067  213.493   22.703  212.844   22.474 0.6491241 31.94534 
1 1 1   18    6   12 o  308.509   24.031  1722.53  262.037   0.0000   0.0000  1722.53  262.037  ?   ?   308.509   24.031      ?      ? 
1 1 1   18    6   14 o   67.810   23.481   75.818   68.599   0.0000   0.0000   75.818   68.599  ?   ?    67.810   23.481      ?      ? 
1 1 1   18    6   16 o  159.561   16.594  462.593   93.477  483.514  131.539  441.249  132.865  163.329   22.786  155.792   24.129 7.537918 33.18782 
1 1 1   18    6   18 o   51.254   13.408   37.655   33.226   58.467   37.968 -30.3984   68.657   56.923   17.323   45.585   20.470 11.33769 26.81635 
1 1 1   18    6   20 o  152.108   15.648  414.592   84.125  414.592   84.125   0.0000   0.0000  152.108   15.648  ?   ?       ?      ? 
1 1 1   18    6   22 o  162.999   16.658  507.671   83.167  529.107   99.186  456.913  152.627  171.544   16.359  154.454   29.024 17.09030 33.31671 
1 1 1   18    6   24 o   95.123   18.291  171.495   70.713  273.757   96.979   55.402  103.330  120.092   23.689   70.154   27.876 49.93793 36.58201 
1 1 1   18    6   26 o   74.737   17.062   95.852   43.726   93.514   48.585  105.816  100.308   70.410   19.058   79.063   28.307 -8.652802 34.12484 
1 1 1   18    6   28 o   86.108   17.878  127.569   47.909  118.263   52.842  170.542  113.553   78.671   19.178   93.545   30.177 -14.87402 35.75568 
1 1 1   18    6   30 o   52.411   13.563   44.434   33.230   61.454   38.306  -7.3273   66.802   57.308   17.391   47.514   20.817 9.794861 27.12552 
1 1 1   18    6   32 o   56.946   14.087   44.435   31.399   28.240   36.065   95.156   63.825   44.239   16.770   69.654   22.639 -25.41491 28.17329 
1 1 1   18    7    1 o  218.394   14.149  863.810  101.432  816.787  177.955  886.439  123.448  213.506   23.582  223.282   15.643 -9.776657 28.29845 
1 1 1   18    7    3 o  176.455   16.621  622.005   87.808  437.778  154.405  710.065  106.751  153.095   29.606  199.815   15.116 -46.72031 33.24152 
1 1 1   18    7    5 o  288.651   16.656  1498.29  169.861  1460.04  241.227  1535.91  239.225  284.913   23.955  292.390   23.149 -7.477417 33.31201 
1 1 1   18    7    7 o  410.311   16.297  3104.20  219.236  2817.40  380.493  3246.73  268.240  394.296   27.303  426.326   17.802 -32.02982 32.59344 
1 1 1   18    7    9 o  378.576   25.026  2592.51  334.859   0.0000   0.0000  2592.51  334.859  ?   ?   378.576   25.026      ?      ? 
1 1 1   18    7   11 o  379.038   16.996  2651.78  218.697  1806.50  306.353  3530.22  312.302  314.786   27.535  443.290   19.933 -128.5035 33.99258 
1 1 1   18    7   13 f  252.704   23.676  1157.31  211.465   0.0000   0.0000  1157.31  211.465  ?   ?   252.704   23.676      ?      ? 
1 1 1   18    7   15 o  197.785   16.496  710.492  114.631  615.227  160.093  810.717  164.209  183.869   24.635  211.702   21.946 -27.83237 32.99218 
1 1 1   18    7   17 o   99.177   19.124  187.064   69.518  216.631   96.350  154.958  100.403  106.815   25.809   91.538   28.227 15.27727 38.24726 
1 1 1   18    7   19 o  ?   ?  -141.8647   26.827 -141.8647   26.827   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1   18    7   21 o  197.708   13.240  643.408   85.343  555.793  100.161  875.566  163.042  175.894   16.111  219.522   21.014 -43.62762 26.47912 
1 1 1   18    7   23 o  124.765   17.845  290.958   66.282  289.349   75.731  296.226  137.025  126.655   16.917  122.875   31.426 3.780464 35.69041 
1 1 1   18    7   25 o  119.972   14.779  220.135   54.045  177.435   60.993  376.156  116.589   97.306   18.409  142.637   23.126 -45.33089 29.55859 
1 1 1   18    7   27 o  123.792   13.567  286.237   56.715  291.949   73.717  277.952   88.781  126.709   16.460  120.875   21.572 5.834038 27.13496 
1 1 1   18    7   29 f   64.956   16.406   67.663   50.512  106.679   68.412   20.901   74.897   74.626   23.348   55.286   23.055 19.33992 32.81250 
1 1 1   18    7   31 o  118.869   17.845  267.563   61.193  254.148   68.444  321.006  136.607  116.752   16.586  120.986   31.601 -4.233795 35.68934 
1 1 1   18    8    0 f   85.895   13.611  122.073   37.290  178.396   71.175  100.762   43.780   98.033   21.162   73.756   17.123 24.27691 27.22158 
1 1 1   18    8    2 o   62.235   13.127   74.098   34.470   1.3556   63.171  104.939   41.133   49.097   20.863   75.374   15.938 -26.27740 26.25427 
1 1 1   18    8    4 o  257.004   16.755  1203.84  149.031  927.914  210.759  1479.77  210.765  226.628   26.312  287.381   20.750 -60.75305 33.50947 
1 1 1   18    8    6 o   79.778   14.446  121.652   39.309  101.184   70.484  130.891   47.357   75.316   23.721   84.239   16.496 -8.922775 28.89255 
1 1 1   18    8    8 o  243.449   15.649  1152.94  120.239  853.828  208.710  1301.54  147.104  216.742   27.245  270.156   15.406 -53.41464 31.29880 
1 1 1   18    8   10 o  146.065   15.236  411.563   69.173  334.219  120.494  449.582   84.481  133.387   26.492  158.744   15.057 -25.35742 30.47239 
1 1 1   18    8   12 o  195.241   23.522  690.656  162.319  690.656  162.319   0.0000   0.0000  195.241   23.522  ?   ?       ?      ? 
1 1 1   18    8   14 o  288.040   17.048  1509.47  172.811  1338.10  242.137  1687.38  246.710  270.962   25.283  305.118   22.877 -34.15573 34.09688 
1 1 1   18    8   16 o  219.276   16.763  875.946  128.989  748.854  180.157  1009.63  184.767  202.533   25.167  236.020   22.149 -33.48711 33.52567 
1 1 1   18    8   18 o  219.857   16.921  879.529  130.131  721.298  179.047  1056.70  189.461  198.469   25.524  241.244   22.220 -42.77484 33.84104 
1 1 1   18    8   20 o  282.129   17.365  1460.07  173.089  1463.18  241.669  1456.79  248.025  282.588   24.196  281.669   24.914 0.9183350 34.72960 
1 1 1   18    8   22 o   75.649   16.951   83.815   41.442   69.939   45.661  148.664   98.712   62.006   19.021   89.291   28.063 -27.28488 33.90225 
1 1 1   18    8   24 o   72.604   16.896  100.098   44.682  113.710   48.226   17.547  118.763   77.687   17.928   67.522   28.645 10.16478 33.79290 
1 1 1   18    8   26 o  113.880   18.844  297.682   68.339  340.297   76.872  137.055  149.244  137.015   15.874   90.745   34.182 46.26936 37.68774 
1 1 1   18    8   28 o   53.700   16.374   15.177   46.230   23.643   50.713 -26.4517  112.453   48.425   19.432   58.974   26.360 -10.54895 32.74871 
1 1 1   18    8   30 o   81.758   17.060  134.329   52.650  134.446   72.507  134.199   76.574   81.829   23.703   81.688   24.543 0.1411972 34.12033 
1 1 1   18    8   32 o   70.757   16.903  101.377   52.601  130.339   66.308   52.212   86.392   79.547   22.550   61.966   25.186 17.58107 33.80606 
1 1 1   18    9    1 f  264.463   14.558  1269.72  126.723  1204.43  221.281  1301.58  154.581  258.662   24.204  270.263   16.183 -11.60098 29.11562 
1 1 1   18    9    3 o   26.060   8.0443  -0.1684   12.346 -52.2036   34.110   7.6761   13.244   26.011   12.527   26.109   10.096 -0.9819603E-01 16.08870 
1 1 1   18    9    5 f  137.568   16.438  346.308   77.849  387.693  111.382  306.783  108.851  146.890   21.454  128.246   24.912 18.64336 32.87663 
1 1 1   18    9    7 o   62.792   12.968   65.024   28.968   95.154   52.263   51.662   34.803   71.748   19.908   53.836   16.622 17.91235 25.93509 
1 1 1   18    9    9 o  124.583   16.381  277.444   72.129   0.0000   0.0000  277.444   72.129  ?   ?   124.583   16.381      ?      ? 
1 1 1   18    9   11 o  111.471   15.407  235.504   54.929  210.236   97.893  247.116   66.360  105.381   26.352  117.562   15.971 -12.18140 30.81345 
1 1 1   18    9   13 o   31.416   13.557  -2.9396   27.446   0.0000   0.0000  -2.9396   27.446  ?   ?    31.416   13.557      ?      ? 
1 1 1   18    9   15 f   70.407   15.689   78.091   40.247  121.778   76.672   61.475   47.286   81.316   24.588   59.497   19.493 21.81863 31.37709 
1 1 1   18    9   17 o  189.011   23.843  651.235  159.281  651.235  159.281   0.0000   0.0000  189.011   23.843  ?   ?       ?      ? 
1 1 1   18    9   19 o  108.132   19.368  221.472   75.167  165.134  102.812  286.168  110.175   93.760   28.499  122.505   26.236 -28.74506 38.73698 
1 1 1   18    9   21 o   63.721   17.458   47.206   50.604   39.548   58.918   68.742   98.804   55.657   21.354   71.784   27.625 -16.12637 34.91604 
1 1 1   18    9   23 o   56.203   21.985   37.184   63.371   37.184   63.371   0.0000   0.0000   56.203   21.985  ?   ?       ?      ? 
1 1 1   18    9   25 o   65.297   17.907   58.904   56.342   74.621   65.571   14.561  110.141   66.034   22.952   64.561   27.494 1.472534 35.81472 
1 1 1   18    9   27 f  101.172   20.632  205.587   75.307  207.975   92.035  200.748  131.001  102.445   25.514   99.899   32.431 2.545441 41.26468 
1 1 1   18    9   29 o   84.359   16.923  142.299   52.857  154.737   76.011  130.653   73.551   87.754   23.873   80.963   23.993 6.791145 33.84610 
1 1 1   18    9   31 o   85.165   15.889  139.301   48.861   95.879   62.471  207.715   78.415   69.469   22.380  100.862   22.561 -31.39258 31.77869 
1 1 1   18   10    0 f   62.574   15.482   72.510   34.054   0.0000   0.0000   72.510   34.054  ?   ?    62.574   15.482      ?      ? 
1 1 1   18   10    2 f  205.584   14.831  786.773   98.940  683.657  172.744  837.116  120.700  194.490   25.130  216.679   15.760 -22.18892 29.66293 
1 1 1   18   10    4 o  143.344   16.500  376.890   81.405  340.687  115.464  412.671  114.789  135.203   25.086  151.484   21.439 -16.28123 32.99926 
1 1 1   18   10    6 o  379.135   15.983  2665.82  198.316  2390.25  343.908  2803.11  242.741  362.443   26.846  395.827   17.351 -33.38431 31.96504 
1 1 1   18   10    8 o  210.070   15.528  857.235  103.134  644.458  179.312  962.424  126.076  187.976   26.989  232.164   15.364 -44.18773 31.05589 
1 1 1   18   10   10 o  142.029   16.460  402.396   71.438  298.309  126.146  451.539   86.677  125.098   29.082  158.961   15.428 -33.86264 32.92045 
1 1 1   18   10   12 o   69.152   13.488   74.335   33.568  138.320   59.731   44.798   40.583   85.943   20.034   52.360   18.065 33.58285 26.97546 
1 1 1   18   10   14 o  103.287   16.553  191.242   60.428   0.0000   0.0000  191.242   60.428  ?   ?   103.287   16.553      ?      ? 
1 1 1   18   10   16 o  236.774   14.152  1006.29  111.999  1033.21  193.608  992.756  137.306  238.314   22.986  235.234   16.515 3.079239 28.30312 
1 1 1   18   10   18 o  232.353   14.321  963.449  111.757  1027.47  192.967  931.139  137.088  237.223   23.015  227.482   17.050 9.741333 28.64238 
1 1 1   18   10   20 o   92.381   20.235  159.393   71.174  159.877   89.081  158.537  118.356   91.699   26.187   93.063   30.856 -1.364433 40.47045 
1 1 1   18   10   22 o   81.829   18.982  126.603   66.747  167.195   79.456   29.276  123.033   93.374   23.957   70.284   29.449 23.09048 37.96322 
1 1 1   18   10   24 f   66.001   17.541   66.071   55.964   95.544   63.811 -32.1470  116.487   71.835   22.561   60.167   26.866 11.66783 35.08231 
1 1 1   18   10   26 o  127.877   20.797  330.510   89.301  333.796  111.426  324.610  149.313  130.737   25.026  125.016   33.224 5.720413 41.59456 
1 1 1   18   10   28 o  138.301   19.727  392.584   92.002  411.768  117.667  362.408  147.575  146.477   22.728  130.125   32.250 16.35182 39.45421 
1 1 1   18   10   30 o   72.573   18.618   94.761   52.561   93.438   58.153  100.665  122.843   68.747   21.529   76.400   30.383 -7.652824 37.23695 
1 1 1   18   11    1 o   77.654   15.072  105.183   47.805   29.966   67.252  182.009   67.968   56.321   22.454   98.988   20.113 -42.66654 30.14491 
1 1 1   18   11    3 o   90.674   16.864  154.099   54.811  146.312   78.230  161.608   76.818   88.524   24.276   92.825   23.416 -4.300911 33.72860 
1 1 1   18   11    5 o  241.873   14.248  1049.68  114.524  1058.40  199.468  1045.40  139.876  241.915   23.329  241.831   16.365 0.8343506E-01 28.49626 
1 1 1   18   11    7 o  260.095   14.967  1267.36  126.454  1090.22  219.491  1355.36  154.711  244.827   25.365  275.363   15.896 -30.53609 29.93458 
1 1 1   18   11    9 o  295.406   16.821  1563.08  175.626   0.0000   0.0000  1563.08  175.626  ?   ?   295.406   16.821      ?      ? 
1 1 1   18   11   11 o  184.013   17.177  689.425   94.532  465.574  163.299  802.248  115.932  156.243   30.666  211.783   15.488 -55.54036 34.35494 
1 1 1   18   11   13 o  120.242   17.583  279.564   73.836  162.894  106.327  388.226  102.613   93.783   29.069  146.701   19.790 -52.91770 35.16599 
1 1 1   18   11   15 o   56.554   10.969   2.9555   23.699  145.548   56.166 -27.9318   26.140   88.305   18.584   24.804   11.660 63.50145 21.93897 
1 1 1   18   11   17 o  214.830   13.551  819.484   98.220  885.048  168.439  785.705  120.902  220.563   21.607  209.097   16.359 11.46603 27.10139 
1 1 1   18   11   19 o   91.945   21.535  160.128   68.752   0.0000   0.0000  160.128   68.752  ?   ?    91.945   21.535      ?      ? 
1 1 1   18   11   21 o  130.704   16.285  331.757   70.531  266.921  110.247  376.679   91.768  117.298   27.132  144.109   18.017 -26.81133 32.56936 
1 1 1   18   11   23 o   79.574   19.614  111.093   64.529  114.955   77.129  102.084  117.807   78.463   24.825   80.685   30.374 -2.222145 39.22776 
1 1 1   18   11   25 o  150.951   23.431  429.395  125.013  429.395  125.013   0.0000   0.0000  150.951   23.431  ?   ?       ?      ? 
1 1 1   18   12    0 o  236.200   16.176  1074.24  121.542  837.844  211.787  1190.33  148.414  214.286   27.963  258.115   16.268 -43.82924 32.35115 
1 1 1   18   12    2 o  203.526   15.617  774.595  103.273  673.523  179.745  824.402  126.179  192.344   26.440  214.709   16.627 -22.36491 31.23346 
1 1 1   18   12    4 o  368.090   17.101  2600.20  201.744  2081.71  349.795  2858.64  246.956  336.729   29.391  399.451   17.492 -62.72229 34.20221 
1 1 1   18   12    6 o  175.781   14.533  570.467   83.582  519.167  145.694  595.633  102.043  169.047   24.385  182.515   15.818 -13.46803 29.06596 
1 1 1   18   12    8 o   56.277   13.480   52.273   30.716   54.771   52.895   51.002   37.730   58.541   20.599   54.013   17.392 4.527355 26.95908 
1 1 1   18   12   10 o   97.768   14.799  175.207   47.539  190.767   81.808  167.273   58.414  100.548   23.450   94.989   18.059 5.559631 29.59824 
1 1 1   18   12   12 o  293.753   14.521  1534.41  142.888  1639.01  248.192  1482.56  174.755  300.147   23.396  287.358   17.206 12.78830 29.04146 
1 1 1   18   12   14 o   56.125   14.383   47.947   36.911   30.153   59.179   59.276   47.221   53.568   21.156   58.682   19.492 -5.114197 28.76625 
1 1 1   18   12   16 o   70.740   18.061   80.885   57.197  101.002   68.039   32.410  105.616   74.438   23.283   67.043   27.616 7.394531 36.12127 
1 1 1   18   12   18 o   91.043   15.628  152.549   49.407  191.854   77.465  125.596   64.148  100.568   22.371   81.517   21.829 19.05170 31.25639 
1 1 1   18   12   20 o  189.133   14.621  641.885   95.798  716.839  154.493  595.062  122.108  197.462   22.136  180.804   19.108 16.65744 29.24264 
1 1 1   18   12   22 o  165.217   20.178  501.493  117.831   0.0000   0.0000  501.493  117.831  ?   ?   165.217   20.178      ?      ? 
1 1 1   18   12   24 o  194.833   24.976  721.381  171.993   0.0000   0.0000  721.381  171.993  ?   ?   194.833   24.976      ?      ? 
1 1 1   18   12   28 o  122.698   24.364  307.453  101.934  307.453  101.934   0.0000   0.0000  122.698   24.364  ?   ?       ?      ? 
1 1 1   18   13    1 o   84.564   15.750  138.356   45.962  109.567   83.632  150.814   55.015   78.933   25.927   90.195   17.889 -11.26221 31.49973 
1 1 1   18   13    3 o  111.798   16.944  234.412   66.621  306.202   94.199  162.573   94.232  130.350   20.446   93.246   27.025 37.10423 33.88802 
1 1 1   18   13    5 o  270.821   14.233  1306.99  128.878  1367.90  223.723  1276.74  157.668  274.672   23.045  266.970   16.709 7.702789 28.46528 
1 1 1   18   13    7 o  108.165   14.247  208.815   50.270  233.249   88.624  197.224   61.040  111.409   23.258  104.922   16.460 6.486786 28.49311 
1 1 1   18   13    9 o  100.552   18.282  195.505   68.498  112.375  100.753  266.953   93.406   81.719   28.448  119.386   22.970 -37.66619 36.56376 
1 1 1   18   13   11 o  295.780   14.334  1554.10  142.714  1669.78  245.702  1495.21  175.322  303.025   22.941  288.535   17.192 14.48938 28.66767 
1 1 1   18   13   13 o   92.757   16.061  157.314   49.299  177.240   88.800  148.436   59.272   96.526   25.607   88.987   19.393 7.538490 32.12195 
1 1 1   18   13   15 f   74.831   22.238  103.817   63.119   0.0000   0.0000  103.817   63.119  ?   ?    74.831   22.238      ?      ? 
1 1 1   18   13   17 o  138.375   19.291  347.547   94.349   0.0000   0.0000  347.547   94.349  ?   ?   138.375   19.291      ?      ? 
1 1 1   18   13   19 o  211.992   23.407  830.778  175.385   0.0000   0.0000  830.778  175.385  ?   ?   211.992   23.407      ?      ? 
1 1 1   18   13   21 o  123.776   25.928  297.883  109.798   0.0000   0.0000  297.883  109.798  ?   ?   123.776   25.928      ?      ? 
1 1 1   18   13   23 o   61.759   15.171   61.554   45.019  102.499   57.014  -6.2508   73.369   73.210   20.964   50.307   21.935 22.90276 30.34184 
1 1 1   18   13   25 o  104.619   18.750  226.686   69.599  251.895   91.676  192.390  106.932  112.623   23.777   96.615   28.997 16.00872 37.49937 
1 1 1   18   13   27 o  173.747   14.649  599.890   86.492  453.513  127.652  724.120  117.600  151.098   23.903  196.396   16.942 -45.29890 29.29790 
1 1 1   18   14    0 o  162.585   14.442  474.878   77.724  481.359  136.540  471.772   94.534  162.842   23.723  162.327   16.477 0.5142822 28.88400 
1 1 1   18   14    2 o  100.212   17.248  187.709   60.822  229.176   89.554  152.204   82.866  110.366   23.668   90.059   25.097 20.30686 34.49658 
1 1 1   18   14    4 o  142.361   17.361  425.267   74.253  265.607  131.909  499.325   89.838  117.612   31.214  167.111   15.210 -49.49939 34.72271 
1 1 1   18   14    6 o   42.561   13.309 -14.3501   38.639   8.1437   45.600 -71.6244   72.763   43.316   18.020   41.806   19.589 1.509819 26.61716 
1 1 1   18   14    8 o  126.030   19.213  338.897   80.860  179.328  141.751  415.866   98.448  100.034   33.777  152.025   18.322 -51.99027 38.42616 
1 1 1   18   14   10 o   97.205   18.426  175.562   60.987   0.0000   0.0000  175.562   60.987  ?   ?    97.205   18.426      ?      ? 
1 1 1   18   14   12 o  161.672   15.936  469.267   91.063   0.0000   0.0000  469.267   91.063  ?   ?   161.672   15.936      ?      ? 
1 1 1   18   14   14 o   81.400   23.001  124.682   69.101   0.0000   0.0000  124.682   69.101  ?   ?    81.400   23.001      ?      ? 
1 1 1   18   14   16 o  232.271   23.042  991.529  189.164   0.0000   0.0000  991.529  189.164  ?   ?   232.271   23.042      ?      ? 
1 1 1   18   14   18 o  196.227   16.904  720.078  115.807  834.449  162.626  602.414  164.951  213.023   21.600  179.432   26.010 33.59090 33.80896 
1 1 1   18   14   20 o   78.114   15.967  110.081   48.435   65.041   64.956  166.483   72.689   63.282   22.767   92.946   22.392 -29.66482 31.93303 
1 1 1   18   14   22 o   71.320   16.099   95.166   46.034  106.669   64.089   82.906   66.165   74.697   22.456   67.943   23.076 6.754082 32.19857 
1 1 1   18   14   24 o   89.133   16.276  157.698   52.223  125.870   72.835  191.372   74.917   79.790   23.928   98.477   22.070 -18.68722 32.55256 
1 1 1   18   14   26 o   64.080   15.811   76.868   44.293   89.449   56.435   56.687   71.476   67.549   21.217   60.611   23.448 6.938023 31.62287 
1 1 1   18   15    1 o  101.885   19.834  188.521   74.446  135.174   97.802  262.011  114.792   86.613   28.013  117.157   28.086 -30.54411 39.66843 
1 1 1   18   15    3 o   60.659   13.139   44.646   28.522  117.664   59.393   22.759   32.517   79.266   20.901   42.052   15.928 37.21452 26.27822 
1 1 1   18   15    5 o   51.772   19.035   38.814   45.755   0.0000   0.0000   38.814   45.755  ?   ?    51.772   19.035      ?      ? 
1 1 1   18   15    7 o  175.758   26.283  567.175  163.272   0.0000   0.0000  567.175  163.272  ?   ?   175.758   26.283      ?      ? 
1 1 1   18   15    9 o  287.814   23.522  1513.64  239.276   0.0000   0.0000  1513.64  239.276  ?   ?   287.814   23.522      ?      ? 
1 1 1   18   15   11 o   60.712   20.555   62.728   52.499   0.0000   0.0000   62.728   52.499  ?   ?    60.712   20.555      ?      ? 
1 1 1   18   15   13 o  116.424   16.956  257.466   67.455  279.539   96.337  236.235   94.482  121.625   23.258  111.223   24.680 10.40127 33.91191 
1 1 1   18   15   15 o  117.249   17.557  262.656   70.360  275.041  103.447  251.994   95.980  119.742   25.238  114.756   24.414 4.986061 35.11451 
1 1 1   18   15   17 o  135.656   15.193  342.913   69.059  344.312  111.261  342.035   88.079  134.238   24.347  137.074   18.180 -2.835907 30.38563 
1 1 1   18   15   19 o   84.389   16.017  139.564   50.578   90.389   74.859  180.867   68.605   71.469   24.542   97.308   20.590 -25.83932 32.03475 
1 1 1   18   15   21 o   80.029   16.227  122.942   49.441  159.697   70.900   88.152   68.979   90.425   22.319   69.633   23.562 20.79166 32.45465 
1 1 1   18   15   23 o  163.518   14.594  508.859   82.240  499.568  130.533  514.974  105.901  160.950   22.946  166.086   18.041 -5.136230 29.18886 
1 1 1   18   15   25 o   60.198   18.963 -27.2614   6.3548 -29.2278   6.4190   69.560   45.041  ?   ?    60.198   18.963      ?      ? 
1 1 1   18   16    0 o   86.834   17.484  140.121   51.804   0.0000   0.0000  140.121   51.804  ?   ?    86.834   17.484      ?      ? 
1 1 1   18   16    2 o   80.218   19.539  120.647   54.885   0.0000   0.0000  120.647   54.885  ?   ?    80.218   19.539      ?      ? 
1 1 1   18   16    4 o  175.936   22.028  562.303  136.979   0.0000   0.0000  562.303  136.979  ?   ?   175.936   22.028      ?      ? 
1 1 1   18   16    6 o  209.958   22.393  803.039  166.171   0.0000   0.0000  803.039  166.171  ?   ?   209.958   22.393      ?      ? 
1 1 1   18   16    8 o   28.955   9.5561 -14.5814   11.772   5.8788   43.386 -16.2073   12.231   41.727   17.486   16.182   7.7147 25.54409 19.11214 
1 1 1   18   16   10 o   46.106   11.848   19.670   29.716 -37.8742   46.069   60.668   38.886   34.445   15.953   57.767   17.520 -23.32165 23.69502 
1 1 1   18   16   12 o  136.057   15.397  342.629   70.580  346.211  112.479  340.303   90.647  135.139   24.449  136.975   18.724 -1.835297 30.79496 
1 1 1   18   16   14 o   80.809   15.566  119.970   46.479  165.285   70.007   84.252   62.154   93.114   21.677   68.505   22.344 24.60838 31.13139 
1 1 1   18   16   16 f   97.493   24.071  183.964   82.447   0.0000   0.0000  183.964   82.447  ?   ?    97.493   24.071      ?      ? 
1 1 1   18   16   18 o   62.517   14.792   69.351   38.516   62.987   54.485   75.708   54.455   60.549   20.929   64.485   20.908 -3.935917 29.58308 
1 1 1   18   16   20 o   60.257   13.459   58.006   33.748   24.859   43.835  106.246   52.882   46.326   18.236   74.188   19.799 -27.86178 26.91726 
1 1 1   18   16   22 o   96.907   16.459  189.151   55.687  179.608   80.410  197.946   77.195   94.184   24.066   99.630   22.459 -5.446243 32.91780 
1 1 1   18   16   24 o  154.413   15.178  467.674   81.731  463.294  125.335  470.914  107.806  152.463   23.259  156.362   19.507 -3.899033 30.35609 
1 1 1   18   17    1 o  317.157   23.992  1839.96  268.941   0.0000   0.0000  1839.96  268.941  ?   ?   317.157   23.992      ?      ? 
1 1 1   18   17    3 o  165.850   15.430  499.974   90.091  562.495  130.031  442.254  124.937  176.008   20.902  155.692   22.704 20.31544 30.86073 
1 1 1   18   17    5 o  154.521   13.546  434.651   71.294  422.062  116.606  442.167   90.096  152.216   21.674  156.827   16.254 -4.611374 27.09181 
1 1 1   18   17    7 o  216.992   13.918  861.606  101.993  828.419  169.550  880.426  127.677  212.809   22.542  221.176   16.333 -8.366592 27.83678 
1 1 1   18   17    9 o  208.689   12.668  766.726   91.269  886.246  149.465  695.660  115.252  220.966   19.138  196.412   16.602 24.55331 25.33547 
1 1 1   18   17   11 o   58.278   13.392   49.647   33.114   97.668   52.728   18.371   42.553   72.063   19.997   44.492   17.819 27.57092 26.78454 
1 1 1   18   17   13 o  135.088   14.151  326.639   64.459  445.598  101.163  245.332   83.635  156.421   18.298  113.754   21.591 42.66758 28.30212 
1 1 1   18   17   15 o  158.975   17.393  433.744   92.443  355.198  110.856  613.067  167.499  138.101   22.711  179.849   26.350 -41.74799 34.78686 
1 1 1   18   17   17 o   82.407   23.202  131.884   70.447   0.0000   0.0000  131.884   70.447  ?   ?    82.407   23.202      ?      ? 
1 1 1   18   17   19 o   69.174   15.314   90.493   42.516  113.490   59.253   66.089   61.039   76.292   21.208   62.057   22.096 14.23476 30.62749 
1 1 1   18   17   21 o  113.094   14.338  262.637   53.631  153.859   78.367  358.459   73.552   86.811   24.482  139.376   14.931 -52.56490 28.67570 
1 1 1   18   17   23 o   93.147   16.559  180.280   54.456  180.076   77.055  180.484   76.969   93.084   23.436   93.211   23.398 -0.1270294 33.11711 
1 1 1   18   18    0 o  133.256   20.872  369.791   97.867  476.671  125.236  202.139  156.850  161.689   21.914  104.823   35.530 56.86636 41.74428 
1 1 1   18   18    2 o   31.913   16.112 -281.1071   86.471   0.0000   0.0000 -281.1071   86.471  ?   ?    31.913   16.112      ?      ? 
1 1 1   18   18    4 f   96.770   20.029  157.134   67.637  123.246   79.662  244.659  128.025   81.496   25.145  112.044   31.184 -30.54843 40.05886 
1 1 1   18   18    6 o  141.094   16.036  375.784   74.793  349.306  121.330  392.012   94.988  135.082   26.359  147.105   18.269 -12.02258 32.07107 
1 1 1   18   18    8 o   59.885   14.415   59.796   36.322   72.917   55.498   49.965   48.041   64.191   21.122   55.579   19.623 8.611851 28.83064 
1 1 1   18   18   10 f  109.671   14.948  224.019   55.450  260.294   85.079  197.232   73.110  117.395   21.289  101.946   20.990 15.44827 29.89601 
1 1 1   18   18   12 o  156.123   13.340  438.384   72.665  494.032  114.363  400.706   94.103  164.038   19.725  148.208   17.964 15.83015 26.67951 
1 1 1   18   18   14 o  105.805   16.601  218.321   60.636  251.191   85.654  185.298   85.852  114.427   21.977   97.184   24.886 17.24332 33.20115 
1 1 1   18   18   16 o   72.599   15.591   98.982   43.753   79.918   59.196  121.938   64.957   66.026   21.819   79.173   22.275 -13.14688 31.18111 
1 1 1   18   18   18 o   64.067   15.336   75.767   41.596   87.090   54.291   59.672   64.729   67.364   20.754   60.771   22.585 6.593021 30.67253 
1 1 1   18   18   20 o  103.313   16.407  215.253   58.368  244.940   86.669  190.612   78.959  110.022   23.027   96.604   23.378 13.41848 32.81393 
1 1 1   18   18   22 o   46.549   12.084   20.840   23.343   6.6795   26.535   69.294   49.086   33.102   13.757   59.996   19.870 -26.89452 24.16783 
1 1 1   18   19    1 o   62.404   17.249 -19.8482   28.748 -30.3749   29.491  181.193  128.879   26.493   12.432   98.315   32.180 -71.82224 34.49796 
1 1 1   18   19    3 o   69.997   17.230   80.690   60.296  134.982   68.030 -118.2048  130.209   84.242   22.444   55.752   26.150 28.48958 34.46098 
1 1 1   18   19    5 o   86.035   29.782 -72.8724   10.128 -74.6109   10.171  131.764  110.348  ?   ?    86.035   29.782      ?      ? 
1 1 1   18   19    7 o  173.919   17.173  577.263  100.062  719.040  141.380  434.967  141.638  198.073   20.195  149.766   27.780 48.30667 34.34509 
1 1 1   18   19    9 o   76.191   15.048  110.218   41.952  113.056   62.321  107.867   56.730   77.073   21.866   75.309   20.681 1.763733 30.09679 
1 1 1   18   19   11 o   62.667   17.002 -21.5818   11.332 -23.3607   11.369  253.946  141.489   13.755   6.7572  111.578   33.325 -97.82316 34.00364 
1 1 1   18   19   13 o  157.860   10.560  397.816   55.062  638.566  102.361  299.790   65.316  187.193   15.471  128.527   14.378 58.66679 21.12099 
1 1 1   18   19   15 o  103.347   13.731  195.993   45.814  223.772   82.626  183.661   55.051  106.633   22.624  100.061   15.566 6.571236 27.46185 
1 1 1   18   19   17 o   51.543   15.756   49.666   31.363   0.0000   0.0000   49.666   31.363  ?   ?    51.543   15.756      ?      ? 
1 1 1   18   19   19 f   98.907   12.595  185.828   40.609  197.097   70.476  180.227   49.686   99.179   20.771   98.634   14.252 0.5447845 25.19022 
1 1 1   18   20    0 o  103.823   20.696  224.317   79.417  261.760   94.263  132.728  147.426  117.044   23.601   90.603   34.003 26.44042 41.39106 
1 1 1   18   20    2 o  116.117   23.867  258.579   94.677  258.579   94.677   0.0000   0.0000  116.117   23.867  ?   ?       ?      ? 
1 1 1   18   20    4 o   93.199   21.009  140.706   62.943  125.434   69.009  216.295  153.529   81.056   23.014  105.341   35.154 -24.28415 42.01732 
1 1 1   18   20    6 o   90.237   19.262  112.830   53.706   84.786   58.764  255.011  132.317   67.972   21.686  112.502   31.841 -44.52982 38.52473 
1 1 1   18   20    8 o  108.990   14.415  224.360   52.937  237.321   81.849  215.039   69.409  111.306   21.584  106.674   19.111 4.631157 28.82919 
1 1 1   18   20   10 o   9.0108   4.5451 -18.5776   3.2983 -22.1401   6.7919 -17.4781   3.7731   9.0108   4.5451  ?   ?       ?      ? 
1 1 1   18   20   12 o   63.263   12.663   73.201   28.120   85.767   49.835   67.331   34.061   66.977   19.723   59.548   15.889 7.428329 25.32651 
1 1 1   18   20   14 o   36.087   8.9303   18.886   13.450   30.160   23.586   13.453   16.373   41.487   13.776   30.688   11.368 10.79937 17.86053 
1 1 1   18   20   16 o  123.771   15.141  301.448   64.022  300.102   97.410  302.472   84.946  121.668   23.503  125.874   19.094 -4.205688 30.28102 
1 1 1   18   20   18 o   59.096   15.457   67.949   32.654   0.0000   0.0000   67.949   32.654  ?   ?    59.096   15.457      ?      ? 
1 1 1   18   21    1 o  102.354   13.006  188.335   45.232  260.966   70.654  137.893   58.880  119.760   16.692   84.946   19.951 34.81407 26.01263 
1 1 1   18   21    3 o  174.219   12.396  548.774   75.344  593.225  118.012  518.188   97.891  179.748   18.576  168.689   16.419 11.05907 24.79154 
1 1 1   18   21    5 o  113.500   21.828  280.219   87.111  311.842  101.051  188.730  171.878  127.010   23.372   99.990   36.874 27.01998 43.65654 
1 1 1   18   21    7 o   78.503   18.703   70.239   43.614   51.823   46.360  212.026  128.636   55.257   19.294  101.748   32.045 -46.49014 37.40513 
1 1 1   18   21    9 o   91.079   20.201  110.206   53.658   84.159   57.482  286.653  149.610   66.894   21.459  115.263   34.233 -48.36887 40.40287 
1 1 1   18   21   11 f   83.759   18.381   45.488   34.866   27.901   35.922  331.704  144.912   44.302   16.750  123.216   32.723 -78.91394 36.76140 
1 1 1   18   21   13 o   91.866   15.122  166.520   48.809  223.490   72.699  119.764   65.860  106.628   20.026   77.104   22.664 29.52354 30.24379 
1 1 1   18   21   15 o  172.023   12.401  554.419   74.461  619.916  116.859  509.651   96.613  179.831   18.386  164.215   16.646 15.61531 24.80143 
1 1 1   18   22    0 o   16.051   5.3360  -3.0429   5.0193 -22.9079   16.624  -1.0503   5.2650   18.615   8.9073   13.487   5.8783 5.128298 10.67208 
1 1 1   18   22    2 o   65.172   13.361   78.737   32.717   99.553   49.279   62.329   43.750   71.972   19.068   58.372   18.721 13.59956 26.72167 
1 1 1   18   22    4 o  133.475   12.506  327.400   58.579  348.547   89.286  311.417   77.621  136.971   18.443  129.980   16.896 6.990448 25.01240 
1 1 1   18   22    6 o   32.409   9.1422   8.3685   16.558  -8.0280   25.843   19.786   21.565   28.759   12.759   36.060   13.097 -7.300972 18.28441 
1 1 1   18   22    8 o   77.231   15.145  116.322   43.241  147.166   64.015   90.439   58.642   86.061   21.187   68.400   21.647 17.66126 30.28981 
1 1 1   18   22   10 o  125.825   15.176  304.217   64.990  394.955   99.574  236.875   85.781  143.609   19.617  108.041   23.160 35.56744 30.35140 
1 1 1   18   22   12 o  121.974   14.839  299.657   61.228  254.970   90.826  336.882   82.897  110.934   23.872  133.014   17.633 -22.08001 29.67806 
1 1 1   18   23    1 o   40.079   10.577   23.245   20.170   17.460   30.628   27.674   26.803   38.862   15.260   41.296   14.649 -2.433777 21.15345 
1 1 1   18   23    3 o   54.744   11.846   53.025   26.117   80.796   38.877   30.185   35.257   64.686   16.840   44.802   16.665 19.88454 23.69184 
1 1 1   18   23    5 o  100.907   15.677  205.118   53.969  199.829   82.390  209.093   71.426   98.855   23.854  102.958   20.349 -4.102570 31.35471 
1 1 1   18   23    7 o   66.065   14.111   86.188   35.859   77.283   52.635   93.900   48.986   63.283   20.558   68.848   19.335 -5.565784 28.22180 
1 1 1   18   23    9 o   54.404   18.671   54.350   43.328   0.0000   0.0000   54.350   43.328  ?   ?    54.404   18.671      ?      ? 
1 1 1   18   24    0 o   64.726   13.918   82.160   34.739   75.656   50.974   87.800   47.468   62.688   20.218   66.763   19.132 -4.075298 27.83560 
1 1 1   18   24    2 o   52.304   13.073   47.782   30.151   52.277   43.815   43.740   41.555   53.942   18.761   50.666   18.211 3.276031 26.14639 
1 1 1   18   24    4 o   96.813   15.151  175.446   51.845   0.0000   0.0000  175.446   51.845  ?   ?    96.813   15.151      ?      ? 
1 1 1   19    0    1 o  306.573   11.887  1680.79  180.900  1680.79  180.900  1680.79  180.900  306.573   16.810  306.573   16.810 -0.000000 0.000000 
1 1 1   19    0    3 o  135.940   11.469  341.245   74.999  341.245   74.999  341.245   74.999  135.940   16.219  135.940   16.219 -0.000000 0.000000 
1 1 1   19    0    5 o   41.238   15.340   43.755   41.949   43.755   41.949   43.755   41.949   41.238   21.694   41.238   21.694 -0.000000 0.000000 
1 1 1   19    0    7 o  575.247   14.411  5907.94  413.192  5907.94  413.192  5907.94  413.192  575.247   20.380  575.247   20.380 -0.000000 0.000000 
1 1 1   19    0    9 o  457.109   18.970  3776.66  430.023  3776.66  430.023  3776.66  430.023  457.109   26.828  457.109   26.828 -0.000000 0.000000 
1 1 1   19    0   11 o  142.957   11.903  377.808   81.959  377.808   81.959  377.808   81.959  142.957   16.833  142.957   16.833 -0.000000 0.000000 
1 1 1   19    0   13 o  280.647   11.772  1414.83  163.803  1414.83  163.803  1414.83  163.803  280.647   16.648  280.647   16.648 -0.000000 0.000000 
1 1 1   19    0   15 o   34.646   13.641   29.130   35.049   29.130   35.049   29.130   35.049   34.646   19.291   34.646   19.291 -0.000000 0.000000 
1 1 1   19    0   17 o   55.746   16.825   78.864   47.781   78.864   47.781   78.864   47.781   55.746   23.795   55.746   23.795 -0.000000 0.000000 
1 1 1   19    0   19 o  125.990   14.151  303.551   82.385  303.551   82.385  303.551   82.385  125.990   20.013  125.990   20.013 -0.000000 0.000000 
1 1 1   19    0   21 o  118.296   14.892  272.375   79.736  272.375   79.736  272.375   79.736  118.296   21.060  118.296   21.060 -0.000000 0.000000 
1 1 1   19    0   23 o   39.984   16.397   35.602   53.567   35.602   53.567   35.602   53.567   39.984   23.189   39.984   23.189 -0.000000 0.000000 
1 1 1   19    0   25 o  150.231   14.436  426.582  102.749  426.582  102.749  426.582  102.749  150.231   20.415  150.231   20.415 -0.000000 0.000000 
1 1 1   19    0   27 o   86.512   19.925  172.555   76.268  172.555   76.268  172.555   76.268   86.512   28.178   86.512   28.178 -0.000000 0.000000 
1 1 1   19    0   29 o  104.713   18.270  232.252   82.785  232.252   82.785  232.252   82.785  104.713   25.837  104.713   25.837 -0.000000 0.000000 
1 1 1   19    0   31 o   58.420   22.414   96.181   92.007   96.181   92.007   96.181   92.007   58.420   31.698   58.420   31.698 -0.000000 0.000000 
1 1 1   19    0   33 o   95.925   17.339  200.736   71.867  200.736   71.867  200.736   71.867   95.925   24.521   95.925   24.521 -0.000000 0.000000 
1 1 1   19    1    0 o  291.341   11.617  1509.29  119.471  1598.34  169.142  1420.64  168.772  299.968   15.954  282.714   16.890 17.25369 23.23344 
1 1 1   19    1    2 o  367.793   14.904  2393.43  183.231  2480.30  317.798  2350.16  224.258  372.171   24.160  363.415   17.459 8.755920 29.80786 
1 1 1   19    1    4 o  395.724   14.956  2751.56  198.530  2951.87  344.500  2651.96  242.925  405.659   24.027  385.789   17.816 19.87042 29.91182 
1 1 1   19    1    6 f  194.881   13.913  688.953   89.344  650.285  155.507  708.006  109.158  190.316   23.118  199.447   15.485 -9.131027 27.82504 
1 1 1   19    1    8 o  220.071   22.682  870.641  176.425  870.641  176.425   0.0000   0.0000  220.071   22.682  ?   ?       ?      ? 
1 1 1   19    1   10 o  176.751   11.149  557.330   69.609  580.369   98.704  534.535   98.182  180.415   15.479  173.087   16.049 7.328064 22.29742 
1 1 1   19    1   12 o  119.407   11.416  255.056   47.973  285.028   68.417  226.067   67.285  126.381   15.317  112.432   16.932 13.94926 22.83177 
1 1 1   19    1   14 o  106.524   11.621  203.012   43.720  213.865   62.236  192.439   61.430  109.361   16.101  103.688   16.762 5.673355 23.24281 
1 1 1   19    1   16 o  114.115   12.877  239.893   50.057  203.058   72.102  274.166   69.549  104.445   20.263  123.784   15.897 -19.33865 25.75409 
1 1 1   19    1   18 o  186.550   14.584  631.864   90.861  638.466  111.975  619.138  155.469  188.675   16.791  184.425   23.851 4.249542 29.16856 
1 1 1   19    1   20 o   61.359   12.735   62.632   33.951   6.2915   48.918  114.995   47.159   44.230   18.553   78.488   17.452 -34.25816 25.47077 
1 1 1   19    1   22 o  146.431   15.603  405.375   74.667  363.065  122.464  430.410   94.202  138.300   26.008  154.562   17.244 -16.26169 31.20532 
1 1 1   19    1   24 o   66.235   15.582   76.609   42.714   84.881   61.556   68.927   59.320   68.766   22.222   63.704   21.848 5.061596 31.16369 
1 1 1   19    1   26 o   61.526   15.777   43.014   46.223  106.189   73.718   2.0833   59.337   75.895   24.297   47.158   20.133 28.73764 31.55474 
1 1 1   19    1   28 o   66.401   13.652   57.022   42.266 -25.8405   56.547  161.925   63.625   40.858   18.441   91.945   20.136 -51.08708 27.30462 
1 1 1   19    1   30 o  156.395   14.525  433.559   77.265  364.411   94.783  570.522  133.396  139.549   19.217  173.240   21.786 -33.69160 29.05018 
1 1 1   19    1   32 o   63.353   15.131   75.860   40.335   67.825   57.181   83.817   56.904   60.964   21.419   65.742   21.376 -4.777851 30.26119 
1 1 1   19    2    1 o  270.679   16.179  1302.29  154.784   0.0000   0.0000  1302.29  154.784  ?   ?   270.679   16.179      ?      ? 
1 1 1   19    2    3 o  480.800   16.859  4197.36  267.825  3985.80  464.396  4302.79  327.837  470.348   27.935  491.252   18.881 -20.90427 33.71758 
1 1 1   19    2    5 o  261.810   14.984  1283.44  126.915  1076.57  220.441  1386.00  155.222  244.555   25.503  279.065   15.737 -34.50937 29.96793 
1 1 1   19    2    7 o  251.573   14.274  1141.75  118.811  1108.05  206.740  1158.36  145.180  248.188   23.568  254.958   16.111 -6.769775 28.54835 
1 1 1   19    2    9 o  244.344   16.333  1077.32  140.668  989.661  199.327  1164.30  198.544  234.223   24.078  254.464   22.076 -20.24025 32.66605 
1 1 1   19    2   11 o  200.882   15.732  720.204  111.701   0.0000   0.0000  720.204  111.701  ?   ?   200.882   15.732      ?      ? 
1 1 1   19    2   13 o  151.373   14.114  406.474   69.987  427.120  126.487  397.364   84.020  153.631   23.294  149.115   15.942 4.516052 28.22703 
1 1 1   19    2   15 o   88.373   15.559  133.482   43.815  178.337   86.734  118.114   50.770   97.190   25.081   79.555   18.419 17.63475 31.11748 
1 1 1   19    2   17 o   59.534   21.725   52.835   59.440   0.0000   0.0000   52.835   59.440  ?   ?    59.534   21.725      ?      ? 
1 1 1   19    2   19 f   45.846   12.230   16.268   33.675 -211.3706   86.119   57.356   36.588   35.407   17.608   56.284   16.977 -20.87661 24.45980 
1 1 1   19    2   21 o   83.090   25.209  128.165   80.496   0.0000   0.0000  128.165   80.496  ?   ?    83.090   25.209      ?      ? 
1 1 1   19    2   23 o  204.809   15.886  784.091  105.236  724.026  187.503  811.713  127.151  197.443   26.869  212.175   16.955 -14.73204 31.77118 
1 1 1   19    2   25 o   91.098   17.271  153.354   55.638  130.675   70.555  190.648   90.476   82.879   23.180   99.318   25.609 -16.43874 34.54157 
1 1 1   19    2   27 o   72.999   15.373   93.739   48.619   17.249   70.605  162.718   67.049   53.844   22.414   92.155   21.047 -38.31176 30.74637 
1 1 1   19    2   29 o  132.488   14.813  299.519   64.459  231.178   77.529  452.528  116.007  109.641   20.767  155.334   21.130 -45.69298 29.62650 
1 1 1   19    2   31 o   58.573   15.488   55.991   41.751   64.155   49.865   36.847   76.357   59.223   20.033   57.923   23.626 1.300934 30.97592 
1 1 1   19    2   33 o   63.030   17.214   60.231   54.277   33.623   70.401   99.222   85.223   54.780   22.554   71.280   26.013 -16.50042 34.42892 
1 1 1   19    3    0 o  127.767   11.159  290.403   50.324  274.395   71.421  306.185   70.918  124.245   16.264  131.290   15.283 -7.044701 22.31783 
1 1 1   19    3    2 o  216.193   11.041  830.944   84.370  830.370  119.471  831.515  119.163  216.116   15.641  216.270   15.589 -0.1531525 22.08292 
1 1 1   19    3    4 o   77.130   16.756  110.015   44.372   0.0000   0.0000  110.015   44.372  ?   ?    77.130   16.756      ?      ? 
1 1 1   19    3    6 o   73.975   16.178   98.415   46.727   87.014   69.434  107.854   63.173   71.271   23.634   76.679   22.100 -5.408386 32.35694 
1 1 1   19    3    8 o  323.899   15.793  2003.06  163.700  1584.38  284.000  2211.38  200.327  295.642   27.179  352.156   16.095 -56.51447 31.58693 
1 1 1   19    3   10 o   41.022   16.596   12.811   37.318   0.0000   0.0000   12.811   37.318  ?   ?    41.022   16.596      ?      ? 
1 1 1   19    3   12 o  280.950   16.937  1431.07  167.953  1372.67  240.222  1486.92  234.909  275.120   24.704  286.780   23.176 -11.65982 33.87334 
1 1 1   19    3   14 o   92.775   16.188  167.508   49.936  126.318   97.254  182.255   58.193   84.624   27.967  100.926   16.313 -16.30222 32.37685 
1 1 1   19    3   16 o   93.337   15.783  134.037   46.019  239.849   95.423  101.969   52.532  112.723   24.639   73.952   19.732 38.77164 31.56609 
1 1 1   19    3   18 o  274.717   15.530  1406.61  137.844  1267.52  244.730  1471.25  166.824  262.975   26.330  286.460   16.477 -23.48410 31.06060 
1 1 1   19    3   20 o  353.815   16.303  2347.90  187.150  2105.17  329.002  2464.02  227.553  337.559   27.576  370.071   17.397 -32.51187 32.60505 
1 1 1   19    3   22 o  314.720   17.089  1784.68  190.093   0.0000   0.0000  1784.68  190.093  ?   ?   314.720   17.089      ?      ? 
1 1 1   19    3   24 o   92.774   17.569  177.370   61.823   82.057  105.160  227.711   76.425   75.401   28.623  110.147   20.382 -34.74562 35.13840 
1 1 1   19    3   26 f   73.658   16.953   71.615   66.681  185.680   84.873 -112.3329  107.781   97.897   24.568   49.418   23.368 48.47931 33.90617 
1 1 1   19    3   28 o   84.745   17.520  125.295   57.644  212.308   92.165   69.387   73.878  103.718   25.355   65.773   24.187 37.94466 35.04087 
1 1 1   19    3   30 o   88.486   18.470  150.785   64.052   92.990   85.733  223.796   96.361   72.184   26.129  104.788   26.112 -32.60378 36.94030 
1 1 1   19    3   32 o   56.950   15.118   43.797   43.961   1.8378   61.054   88.975   63.351   46.337   20.108   67.563   22.582 -21.22603 30.23643 
1 1 1   19    4    1 o  215.417   11.363  825.310   86.517  828.870  122.764  821.797  121.946  215.877   16.090  214.958   16.051 0.9198456 22.72660 
1 1 1   19    4    3 f  409.728   12.556  2993.08  181.797  2938.43  257.377  3047.50  256.824  405.958   17.938  413.498   17.573 -7.539215 25.11111 
1 1 1   19    4    5 o   69.647   13.623   87.485   33.113   93.026   58.284   84.844   40.238   71.619   21.389   67.674   16.879 3.944946 27.24654 
1 1 1   19    4    7 o  286.716   16.440  1479.48  166.563  1522.12  236.920  1437.80  234.214  290.846   23.047  282.586   23.450 8.259918 32.87968 
1 1 1   19    4    9 f  303.214   15.450  1733.50  151.246  1443.31  262.755  1877.30  184.961  282.095   26.353  324.332   16.135 -42.23755 30.90046 
1 1 1   19    4   11 o  162.196   15.637  469.685   89.640   0.0000   0.0000  469.685   89.640  ?   ?   162.196   15.637      ?      ? 
1 1 1   19    4   13 o   53.101   14.167   38.438   36.647 -43.4471   79.873   60.273   41.245   48.064   21.785   58.139   18.118 -10.07467 28.33499 
1 1 1   19    4   15 o  254.952   16.330  1268.60  130.154  966.893  231.357  1408.30  157.428  229.347   28.541  280.556   15.876 -51.20911 32.65938 
1 1 1   19    4   17 o  158.921   16.150  473.610   78.789  443.221  146.025  486.090   93.580  153.107   28.017  164.734   16.072 -11.62659 32.29948 
1 1 1   19    4   19 o  239.577   14.860  1043.24  116.254  1029.57  207.836  1049.47  140.245  237.293   24.781  241.861   16.406 -4.568024 29.71945 
1 1 1   19    4   21 o   65.761   20.517   78.207   52.870   0.0000   0.0000   78.207   52.870  ?   ?    65.761   20.517      ?      ? 
1 1 1   19    4   23 o  147.990   16.893  424.217   79.699  363.901  135.480  456.137   98.557  137.109   28.869  158.871   17.552 -21.76254 33.78634 
1 1 1   19    4   25 o   83.510   18.246  133.067   60.019  101.013   93.978  155.146   77.997   77.171   27.424   89.850   24.074 -12.67826 36.49198 
1 1 1   19    4   27 o   90.098   17.888  164.198   62.866   86.259   99.449  216.070   81.132   74.275   27.917  105.921   22.373 -31.64617 35.77600 
1 1 1   19    4   29 o   79.197   19.356  118.967   66.204  138.265   83.039   85.303  109.677   83.743   25.645   74.650   29.000 9.093819 38.71230 
1 1 1   19    4   31 o   90.234   18.961  149.876   65.348   90.422   81.212  259.078  110.064   70.132   25.424  110.336   28.136 -40.20351 37.92133 
1 1 1   19    5    0 o  127.232   10.717  288.020   47.895  331.038   68.767  247.494   66.745  136.510   14.253  117.954   16.010 18.55602 21.43495 
1 1 1   19    5    2 o  221.154   11.100  870.410   86.690  918.514  123.362  823.478  121.849  227.224   15.361  215.084   16.029 12.13928 22.20051 
1 1 1   19    5    4 o  143.898   10.725  368.821   54.502  354.888   77.477  382.471   76.686  141.181   15.527  146.615   14.799 -5.433777 21.44923 
1 1 1   19    5    6 o  146.004   16.958  392.314   84.865  354.697  123.216  426.264  117.056  137.910   26.237  154.098   21.492 -16.18773 33.91589 
1 1 1   19    5    8 o   76.217   12.091  108.409   32.790   73.436   47.686  139.776   45.160   63.844   19.410   88.590   14.423 -24.74553 24.18190 
1 1 1   19    5   10 o  185.542   17.334  631.490  112.103  550.754  165.224  700.362  152.602  173.956   26.873  197.128   21.902 -23.17171 34.66790 
1 1 1   19    5   12 o  213.015   17.401  836.430  128.352  658.499  183.654  1006.32  179.454  189.852   27.369  236.179   21.498 -46.32701 34.80279 
1 1 1   19    5   14 o  202.030   13.961  721.922   92.300  769.857  167.691  701.088  110.553  206.080   23.023  197.980   15.799 8.099457 27.92220 
1 1 1   19    5   16 o   56.302   15.977   28.812   48.647  -4.9741   80.878   47.964   60.894   53.999   23.288   58.604   21.881 -4.604733 31.95454 
1 1 1   19    5   18 o  136.484   18.733  450.416   81.251  130.332  149.074  585.688   96.911   92.064   34.263  180.905   15.157 -88.84172 37.46552 
1 1 1   19    5   20 o   65.589   16.704   67.396   49.162   66.733   74.943   67.898   65.135   66.458   24.372   64.721   22.849 1.736977 33.40803 
1 1 1   19    5   22 o   56.748   19.887   52.403   49.278   0.0000   0.0000   52.403   49.278  ?   ?    56.748   19.887      ?      ? 
1 1 1   19    5   24 f   87.532   17.634  143.564   55.993  159.670   90.802  133.682   71.127   91.277   26.550   83.786   23.217 7.490509 35.26894 
1 1 1   19    5   26 f   97.700   19.152  183.093   77.094  296.655  106.605   58.587  111.624  123.685   25.240   71.715   28.811 51.97015 38.30380 
1 1 1   19    5   28 o   24.035   8.8046 -60.9915   19.996 -48.3648   20.763 -222.4747   74.250   17.773   8.8054   30.297   15.250 -12.52358 17.60922 
1 1 1   19    5   30 o   63.330   17.196   51.234   52.527   24.951   64.841  101.410   89.590   52.570   21.644   74.090   26.727 -21.51974 34.39225 
1 1 1   19    5   32 o   55.568   21.455   47.540   59.751   47.540   59.751   0.0000   0.0000   55.568   21.455  ?   ?       ?      ? 
1 1 1   19    6    1 o  230.832   11.066  948.674   90.258  930.676  128.337  966.288  126.961  228.641   15.881  233.024   15.415 -4.382751 22.13222 
1 1 1   19    6    3 o  368.094   12.076  2416.63  157.102  2440.15  222.668  2393.31  221.687  369.887   17.032  366.301   17.123 3.585510 24.15145 
1 1 1   19    6    5 o  280.005   14.485  1416.26  134.007  1374.72  233.777  1436.59  163.544  276.191   23.948  283.818   16.303 -7.627045 28.97077 
1 1 1   19    6    7 o  213.654   11.321  814.574   85.477  799.283  121.029  829.791  120.738  211.631   16.180  215.676   15.839 -4.044952 22.64223 
1 1 1   19    6    9 o  185.005   11.276  611.346   73.709  594.671  104.342  627.955  104.138  182.458   16.180  187.552   15.710 -5.094086 22.55184 
1 1 1   19    6   11 f  168.742   15.453  514.893   91.714  453.952  128.819  577.537  130.607  158.406   23.008  179.078   20.635 -20.67236 30.90610 
1 1 1   19    6   13 o  182.730   10.895  598.029   70.214  560.648  100.204  634.089   98.416  177.025   16.015  188.434   14.777 -11.40875 21.79084 
1 1 1   19    6   15 o  231.908   15.425  1007.34  114.882  887.862  204.757  1062.22  138.785  220.268   26.301  243.548   16.123 -23.28017 30.84907 
1 1 1   19    6   17 o  185.056   17.361  633.194  111.915  537.180  162.966  718.893  153.963  170.997   26.964  199.115   21.877 -28.11769 34.72280 
1 1 1   19    6   19 o  160.826   14.701  459.503   78.267  497.138  139.531  442.226   94.540  164.853   23.947  156.798   17.059 8.055222 29.40195 
1 1 1   19    6   21 o  107.831   16.655  224.310   58.543  196.327  105.845  236.643   70.270  101.117   28.430  114.546   17.357 -13.42907 33.30912 
1 1 1   19    6   23 o   69.412   16.328   83.850   52.671 -15.9003   93.057  130.869   63.890   55.819   24.510   83.005   21.578 -27.18549 32.65511 
1 1 1   19    6   25 o   47.273   13.642 -79.7508   40.468 -150.2226   48.349   85.122   73.953   24.337   12.257   70.210   24.377 -45.87379 27.28442 
1 1 1   19    6   27 o   46.383   12.918 -11.2158   41.297   63.879   49.837 -175.7892   73.777   59.944   20.029   32.823   16.319 27.12107 25.83503 
1 1 1   19    6   29 o   68.627   17.526   82.024   54.148   75.314   72.023   90.748   82.120   66.049   23.943   71.206   25.600 -5.156891 35.05189 
1 1 1   19    6   31 f   66.577   16.943   71.188   47.938   49.380   57.437  121.257   87.030   55.817   21.162   77.337   26.464 -21.52000 33.88508 
1 1 1   19    7    0 o  277.054   11.557  1367.79  113.162  1357.90  160.654  1377.53  159.425  276.043   16.466  278.066   16.221 -2.022980 23.11434 
1 1 1   19    7    2 o   27.818   7.3543   2.6811   11.715   22.325   16.118 -19.3217   17.058   35.798   11.351   19.837   9.3544 15.96069 14.70860 
1 1 1   19    7    4 o  275.700   15.518  1440.44  137.466  1172.32  239.090  1572.85  168.014  254.408   26.589  296.992   16.006 -42.58411 31.03529 
1 1 1   19    7    6 o  106.336   11.326  201.992   42.519  192.666   60.494  211.099   59.775  103.877   16.477  108.794   15.545 -4.917053 22.65257 
1 1 1   19    7    8 o  214.314   11.301  823.121   85.151  726.727  120.459  919.398  120.385  201.595   16.906  227.032   15.003 -25.43713 22.60281 
1 1 1   19    7   10 o   46.349   10.756   33.404   22.100   56.959   30.838   8.5354   31.687   55.610   15.238   37.088   15.184 18.52180 21.51187 
1 1 1   19    7   12 o  102.169   13.940  202.561   47.190  150.060   75.583  236.100   60.411   89.361   23.586  114.977   14.866 -25.61603 27.87980 
1 1 1   19    7   14 o  383.479   11.986  2657.84  160.322  2167.23  226.417  3151.17  227.043  347.189   18.451  419.769   15.303 -72.57983 23.97139 
1 1 1   19    7   16 o  325.214   11.950  1901.15  136.916  1722.38  193.138  2081.75  194.122  309.594   17.650  340.834   16.114 -31.23938 23.89993 
1 1 1   19    7   18 o  279.601   14.698  1391.77  137.791  1499.40  239.289  1338.37  168.538  286.504   23.630  272.698   17.486 13.80704 29.39668 
1 1 1   19    7   20 o  215.075   15.463  865.040  107.802  785.921  190.571  902.271  130.728  206.226   26.145  223.923   16.518 -17.69730 30.92583 
1 1 1   19    7   22 o  187.283   14.995  626.777   93.816  685.652  164.579  598.437  114.185  192.724   24.161  181.841   17.766 10.88306 29.99004 
1 1 1   19    7   24 o   65.908   15.126   61.193   49.969 -45.5243   76.440  140.823   66.030   46.013   21.031   85.803   21.745 -39.78985 30.25192 
1 1 1   19    7   26 o   53.387   15.031   17.154   48.491   68.544   58.733 -92.8842   85.944   62.929   21.731   43.846   20.772 19.08225 30.06187 
1 1 1   19    7   28 o  100.293   19.870  200.998   72.522  173.012   94.312  241.486  113.441   92.494   27.102  108.091   29.064 -15.59673 39.73977 
1 1 1   19    7   30 o   61.422   16.592   54.255   48.882   35.042   61.251   87.959   81.123   53.433   21.386   69.411   25.372 -15.97748 33.18314 
1 1 1   19    8    1 o   94.007   14.853  171.201   45.940  132.845   82.955  188.168   55.173   85.233   25.531  102.781   15.188 -17.54764 29.70699 
1 1 1   19    8    3 o  320.926   11.974  1840.82  135.602  1965.77  192.087  1716.70  191.456  331.900   16.375  309.953   17.476 21.94705 23.94899 
1 1 1   19    8    5 o  127.944   14.467  296.088   60.274  291.151   73.931  305.873  104.087  127.686   16.382  128.202   23.849 -0.5168152 28.93327 
1 1 1   19    8    7 o  435.966   13.427  3410.60  206.837  3320.75  292.579  3500.37  292.444  430.136   19.245  441.795   18.728 -11.65982 26.85373 
1 1 1   19    8    9 f   64.781   12.449   75.578   31.373   35.743   44.186  116.078   44.553   50.431   18.676   79.131   16.466 -28.69987 24.89842 
1 1 1   19    8   11 o   79.328   13.011  118.119   35.716  125.981   48.381  108.704   52.947   82.362   17.176   76.293   19.547 6.068428 26.02122 
1 1 1   19    8   13 o  145.996   14.488  403.173   68.371  344.724  112.973  436.953   85.884  135.710   24.452  156.282   15.548 -20.57170 28.97682 
1 1 1   19    8   15 o  343.438   11.530  2130.75  137.590  1670.39  192.762  2608.93  196.454  304.824   17.892  382.052   14.549 -77.22818 23.06020 
1 1 1   19    8   17 f  457.664   19.287  3865.88  311.909  3798.86  442.830  3931.86  439.402  453.474   27.629  461.853   26.918 -8.378967 38.57355 
1 1 1   19    8   19 o  311.698   11.934  1754.23  130.552  1506.21  183.264  2009.78  186.024  288.886   17.949  334.509   15.734 -45.62311 23.86868 
1 1 1   19    8   21 o   81.040   17.558  125.044   55.585   88.215   91.707  146.431   69.885   74.337   27.006   87.743   22.444 -13.40630 35.11554 
1 1 1   19    8   23 o   83.639   26.570  130.869   88.289  130.869   88.289   0.0000   0.0000   83.639   26.570  ?   ?       ?      ? 
1 1 1   19    8   25 o   39.311   12.732 -29.8537   37.370 -24.3079   45.179 -41.8665   66.494   36.051   16.357   42.571   19.516 -6.520596 25.46466 
1 1 1   19    8   27 o  129.590   24.862  331.365  109.731  331.365  109.731   0.0000   0.0000  129.590   24.862  ?   ?       ?      ? 
1 1 1   19    8   29 o   96.776   19.804  208.387   76.700  266.278   96.536  109.277  126.312  114.320   24.619   79.232   31.027 35.08781 39.60756 
1 1 1   19    8   31 o   23.537   10.891 -16.5378   21.393 -16.5378   21.393   0.0000   0.0000   23.537   10.891  ?   ?       ?      ? 
1 1 1   19    9    0 o  217.454   16.481  855.183  126.184  787.828  181.015  918.853  175.994  208.871   24.520  226.038   22.029 -17.16769 32.96208 
1 1 1   19    9    2 o  119.663   15.360  285.826   56.461  208.938  101.828  319.959   67.846  105.296   27.177  134.031   14.322 -28.73491 30.71977 
1 1 1   19    9    4 o  122.385   16.838  294.099   72.848   99.446  103.169  487.653  102.877   79.694   28.690  165.076   17.633 -85.38177 33.67514 
1 1 1   19    9    6 o  341.078   16.263  2197.33  179.316  1849.39  311.590  2369.62  219.264  318.256   27.700  363.899   17.048 -45.64325 32.52594 
1 1 1   19    9    8 o  107.629   13.347  196.244   47.563  260.693   84.635  166.494   57.502  120.367   19.894   94.890   17.799 25.47647 26.69414 
1 1 1   19    9   10 o  199.821   14.906  747.132   96.548  650.432  168.801  794.147  117.702  188.933   25.278  210.708   15.804 -21.77588 29.81237 
1 1 1   19    9   12 f   95.723   18.066  173.382   61.550  168.176   97.293  176.856   79.476   94.643   27.469   96.802   23.472 -2.159142 36.13114 
1 1 1   19    9   14 o   98.968   14.913  164.626   48.728  259.056   86.069  120.079   59.115  117.913   21.442   80.024   20.733 37.88840 29.82631 
1 1 1   19    9   16 o  217.593   17.279  863.745  131.493  706.442  180.486  1041.69  191.961  196.030   26.050  239.155   22.710 -43.12454 34.55887 
1 1 1   19    9   18 o  172.718   15.054  557.515   84.894  501.803  147.813  584.938  103.704  165.065   25.336  180.372   16.267 -15.30702 30.10866 
1 1 1   19    9   20 o  101.020   17.569  195.493   60.156  191.781  102.805  197.426   74.181   99.790   28.005  102.250   21.221 -2.460526 35.13705 
1 1 1   19    9   22 o  114.760   15.265  268.859   63.140   60.794   89.894  471.450   88.704   67.880   26.286  161.641   15.526 -93.76128 30.52950 
1 1 1   19    9   24 o  132.888   16.980  353.104   74.413  264.074  116.286  414.842   96.836  115.187   28.675  150.589   18.194 -35.40203 33.95970 
1 1 1   19    9   26 o   60.440   15.502   59.641   42.998   70.853   57.825   45.776   64.308   63.140   21.572   57.740   22.268 5.399815 31.00362 
1 1 1   19    9   28 o   48.351   15.371   4.2748   35.213   7.3658   37.069 -24.2933  112.693   38.604   16.169   58.098   26.146 -19.49432 30.74173 
1 1 1   19    9   30 o   83.782   20.095  133.606   62.417  115.496   71.095  194.492  130.362   75.019   23.845   92.545   32.351 -17.52573 40.18904 
1 1 1   19   10    1 o  102.626   15.697  202.159   52.282  168.896   94.714  216.735   62.699   95.084   26.949  110.168   16.102 -15.08322 31.39351 
1 1 1   19   10    3 o  135.757   22.548  332.722  108.193   0.0000   0.0000  332.722  108.193  ?   ?   135.757   22.548      ?      ? 
1 1 1   19   10    5 o  133.042   16.521  357.861   67.486  251.389  119.251  408.026   81.855  114.925   29.276  151.159   15.321 -36.23401 33.04282 
1 1 1   19   10    7 o  143.853   14.005  372.923   66.398  371.064  117.068  373.804   80.619  143.112   23.144  144.594   15.775 -1.482010 28.00910 
1 1 1   19   10    9 o  177.877   16.495  623.991   89.381  475.838  156.926  695.133  108.744  158.606   29.064  197.148   15.606 -38.54198 32.98923 
1 1 1   19   10   11 o   92.474   14.820  177.256   46.738   95.338   82.763  215.613   56.633   75.095   25.804  109.853   14.586 -34.75713 29.64097 
1 1 1   19   10   13 o  185.133   22.445  622.297  146.868   0.0000   0.0000  622.297  146.868  ?   ?   185.133   22.445      ?      ? 
1 1 1   19   10   15 o   96.438   17.614  172.416   56.580  183.851  104.865  167.721   67.200   98.415   28.505   94.461   20.700 3.954170 35.22771 
1 1 1   19   10   17 o   81.467   17.111  118.864   49.433  135.548   91.577  112.004   58.723   85.718   27.043   77.216   20.974 8.501877 34.22270 
1 1 1   19   10   19 o   99.220   18.423  189.292   65.256  186.968   97.070  191.209   88.147   98.596   27.043   99.844   25.027 -1.248154 36.84624 
1 1 1   19   10   21 o   71.363   18.123   78.712   57.748   56.751   74.855  110.998   90.761   63.646   24.152   79.081   27.026 -15.43434 36.24519 
1 1 1   19   10   23 o   93.202   17.837  167.668   60.045  188.925   89.738  150.435   80.798   98.282   25.584   88.123   24.861 10.15983 35.67392 
1 1 1   19   10   25 o   82.161   16.086  136.219   51.368   71.086   80.051  181.811   66.975   67.081   25.080   97.241   20.149 -30.15956 32.17109 
1 1 1   19   10   27 o   43.953   18.784   4.3148   51.745   0.0000   0.0000   4.3148   51.745  ?   ?    43.953   18.784      ?      ? 
1 1 1   19   11    0 o  212.213   13.344  824.667   92.659  762.155  162.325  854.881  112.851  205.481   22.351  218.945   14.583 -13.46402 26.68748 
1 1 1   19   11    2 o   75.601   14.507  113.726   39.472   65.695   72.900  133.647   46.950   66.105   24.069   85.097   16.202 -18.99170 29.01398 
1 1 1   19   11    4 o  141.112   14.606  368.157   65.625  351.285  115.430  376.215   79.772  137.128   24.726  145.096   15.555 -7.968460 29.21188 
1 1 1   19   11    6 o   88.086   15.910  150.141   47.914  123.216   85.523  162.458   57.845   82.564   26.143   93.608   18.139 -11.04364 31.81904 
1 1 1   19   11    8 o  169.686   15.842  561.204   83.024  442.401  144.331  619.955  101.497  153.187   27.676  186.186   15.424 -32.99895 31.68360 
1 1 1   19   11   10 o  105.909   17.872  215.117   66.797  263.784   92.673  162.496   96.364  118.672   22.924   93.146   27.425 25.52671 35.74432 
1 1 1   19   11   12 o  251.162   14.127  1136.63  118.281  1147.43  204.696  1131.22  144.925  251.157   23.059  251.166   16.325 -0.9170532E-02 28.25315 
1 1 1   19   11   14 o  148.854   18.027  399.338   94.842   0.0000   0.0000  399.338   94.842  ?   ?   148.854   18.027      ?      ? 
1 1 1   19   11   16 o   69.553   16.194   84.683   47.695   50.106   71.780  112.017   63.821   61.725   23.596   77.382   22.187 -15.65783 32.38854 
1 1 1   19   11   18 o   69.103   13.952   90.231   43.036 -13.8128   72.032  147.988   53.668   49.202   21.586   89.004   17.684 -39.80145 27.90425 
1 1 1   19   11   20 o  124.555   16.324  289.694   67.764  298.421  112.117  284.671   85.058  124.188   26.359  124.922   19.264 -0.7345734 32.64795 
1 1 1   19   11   22 o   88.023   23.514  149.839   74.540   0.0000   0.0000  149.839   74.540  ?   ?    88.023   23.514      ?      ? 
1 1 1   19   11   26 o  121.149   30.858  313.403  132.495   0.0000   0.0000  313.403  132.495  ?   ?   121.149   30.858      ?      ? 
1 1 1   19   11   28 o   54.142   15.031   23.779   33.878   9.5871   37.355   89.556   80.418   39.071   16.287   69.213   25.268 -30.14263 30.06178 
1 1 1   19   12    1 o   46.212   12.228   30.183   26.222  -3.3718   52.829   41.153   30.206   43.875   18.871   48.550   15.554 -4.674862 24.45521 
1 1 1   19   12    3 f  106.682   17.391  215.251   64.341  194.007   91.475  236.054   90.517  101.271   25.556  112.093   23.593 -10.82273 34.78146 
1 1 1   19   12    5 o   87.931   15.650  134.685   45.428  176.404   83.936  117.403   54.024   96.641   24.531   79.220   19.440 17.42096 31.29961 
1 1 1   19   12    7 o  253.672   17.111  1176.41  152.722  1085.94  220.337  1260.06  211.875  243.813   25.569  263.531   22.747 -19.71828 34.22270 
1 1 1   19   12    9 o  247.655   14.343  1076.79  118.494  1201.90  209.547  1017.97  143.669  257.154   23.055  238.156   17.068 18.99797 28.68548 
1 1 1   19   12   11 o  225.653   15.089  923.213  113.963  921.859  195.032  923.914  140.432  224.609   24.567  226.697   17.527 -2.087708 30.17849 
1 1 1   19   12   13 o   47.117   13.859   10.817   31.899   24.234   69.791   7.2744   35.865   55.560   22.616   38.674   16.026 16.88564 27.71877 
1 1 1   19   12   15 o  110.734   24.153  233.282   91.868   0.0000   0.0000  233.282   91.868  ?   ?   110.734   24.153      ?      ? 
1 1 1   19   12   17 o  113.243   24.458  245.099   95.031   0.0000   0.0000  245.099   95.031  ?   ?   113.243   24.458      ?      ? 
1 1 1   19   12   19 o  115.774   26.330  260.201  105.308   0.0000   0.0000  260.201  105.308  ?   ?   115.774   26.330      ?      ? 
1 1 1   19   12   21 o  175.980   24.239  581.052  150.764   0.0000   0.0000  581.052  150.764  ?   ?   175.980   24.239      ?      ? 
1 1 1   19   12   23 o   83.536   16.881  110.808   56.592   37.124   71.314  236.122   93.002   57.671   23.079  109.401   24.644 -51.72944 33.76290 
1 1 1   19   12   25 o  168.827   16.329  542.274   96.151  435.662  128.360  678.573  145.135  149.430   24.304  188.223   21.816 -38.79280 32.65899 
1 1 1   19   12   27 o   69.518   17.552   92.307   51.881   99.869   60.493   71.273  100.888   70.708   21.927   68.328   27.412 2.379898 35.10317 
1 1 1   19   13    0 o  101.981   16.089  205.468   54.144  152.148   97.276  229.401   65.172   90.760   27.750  113.202   16.289 -22.44281 32.17758 
1 1 1   19   13    2 o  211.287   16.576  810.654  123.667  809.629  178.753  811.595  171.270  211.031   23.966  211.542   22.907 -0.5114899 33.15214 
1 1 1   19   13    4 o  125.370   16.892  285.362   66.668  305.381  124.962  277.398   78.822  126.477   28.622  124.262   17.947 2.214745 33.78314 
1 1 1   19   13    6 o   95.920   18.056  175.311   61.482  162.230   99.119  183.492   78.384   93.202   27.906   98.638   22.920 -5.435509 36.11167 
1 1 1   19   13    8 f  256.903   13.990  1153.73  121.929  1325.27  209.011  1065.24  150.120  270.316   21.876  243.490   17.444 26.82684 27.97965 
1 1 1   19   13   10 o   94.044   23.578  167.585   78.226   0.0000   0.0000  167.585   78.226  ?   ?    94.044   23.578      ?      ? 
1 1 1   19   13   12 o   73.079   21.321   99.129   58.479   0.0000   0.0000   99.129   58.479  ?   ?    73.079   21.321      ?      ? 
1 1 1   19   13   14 o  217.021   22.798  862.483  174.869   0.0000   0.0000  862.483  174.869  ?   ?   217.021   22.798      ?      ? 
1 1 1   19   13   16 o   56.936   20.402   51.126   52.115   0.0000   0.0000   51.126   52.115  ?   ?    56.936   20.402      ?      ? 
1 1 1   19   13   18 o  139.828   17.270  370.542   83.112  340.374  119.411  398.888  115.751  132.679   26.393  146.978   22.282 -14.29922 34.54056 
1 1 1   19   13   20 o   62.726   15.589   61.203   46.357  101.627   61.741   8.9661   70.185   73.362   22.038   52.090   22.055 21.27219 31.17843 
1 1 1   19   13   22 o   56.854   14.975   48.711   39.964   45.051   52.852   53.597   61.069   54.727   20.394   58.981   21.934 -4.253635 29.95045 
1 1 1   19   13   24 o   57.170   14.745   46.376   37.524   28.046   46.142   82.171   64.480   47.683   18.729   66.658   22.779 -18.97489 29.49003 
1 1 1   19   13   26 o  118.173   17.729  290.361   71.757  295.828  101.704  284.942  101.256  119.429   24.901  116.916   25.242 2.512718 35.45737 
1 1 1   19   14    1 o   92.366   19.853  149.776   71.515  102.093   93.992  215.332  110.208   78.428   27.467  106.303   28.673 -27.87440 39.70651 
1 1 1   19   14    3 o  282.562   13.892  1426.21  130.561  1480.95  228.588  1399.71  159.058  285.614   22.644  279.510   16.100 6.103271 27.78447 
1 1 1   19   14    5 o  167.440   18.555  504.789  109.810   0.0000   0.0000  504.789  109.810  ?   ?   167.440   18.555      ?      ? 
1 1 1   19   14    7 o  192.940   14.886  666.255  101.511   0.0000   0.0000  666.255  101.511  ?   ?   192.940   14.886      ?      ? 
1 1 1   19   14    9 o   57.466   20.191   53.305   50.808   0.0000   0.0000   53.305   50.808  ?   ?    57.466   20.191      ?      ? 
1 1 1   19   14   11 o  116.187   23.999  255.983   95.292   0.0000   0.0000  255.983   95.292  ?   ?   116.187   23.999      ?      ? 
1 1 1   19   14   13 o   52.176   19.034   40.775   45.622   0.0000   0.0000   40.775   45.622  ?   ?    52.176   19.034      ?      ? 
1 1 1   19   14   15 o  169.749   22.788  530.879  136.720   0.0000   0.0000  530.879  136.720  ?   ?   169.749   22.788      ?      ? 
1 1 1   19   14   17 o   52.751   12.958   24.994   33.003   90.294   52.834 -16.7906   42.264   69.404   20.271   36.099   16.146 33.30468 25.91511 
1 1 1   19   14   19 o   47.758   13.550   21.006   34.972   11.282   47.951   32.056   51.116   44.586   18.508   50.930   19.794 -6.343555 27.09915 
1 1 1   19   14   21 o   48.052   13.670   21.033   36.369   38.399   48.994  -0.2808   54.278   51.776   19.566   44.328   19.097 7.448315 27.34075 
1 1 1   19   14   23 o   60.525   15.509   62.374   43.027   73.443   57.397   48.174   65.011   63.215   21.492   57.836   22.366 5.378819 31.01889 
1 1 1   19   14   25 o   53.442   13.968   37.537   32.894   20.780   39.167   77.652   60.598   42.865   17.121   64.020   22.075 -21.15482 27.93629 
1 1 1   19   15    0 o  213.521   15.960  816.828  120.447   0.0000   0.0000  816.828  120.447  ?   ?   213.521   15.960      ?      ? 
1 1 1   19   15    2 o  213.644   14.938  816.612  112.798   0.0000   0.0000  816.612  112.798  ?   ?   213.644   14.938      ?      ? 
1 1 1   19   15    6 o  125.238   23.164  294.603   98.759   0.0000   0.0000  294.603   98.759  ?   ?   125.238   23.164      ?      ? 
1 1 1   19   15    8 o   98.916   17.746  187.141   61.629  181.193   95.424  191.398   80.723   97.416   26.851  100.416   23.209 -3.000244 35.49157 
1 1 1   19   15   10 o  162.120   16.674  484.638   95.049  451.663  138.236  514.206  130.902  156.492   24.992  167.747   22.078 -11.25528 33.34789 
1 1 1   19   15   12 o  133.601   17.186  350.239   75.262  279.888  121.710  393.795   95.766  119.814   29.043  147.389   18.384 -27.57511 34.37229 
1 1 1   19   15   14 o  105.535   16.979  210.188   61.448  245.862   94.812  184.351   80.687  113.114   24.430   97.955   23.587 15.15897 33.95845 
1 1 1   19   15   16 o  131.842   16.902  315.859   78.761   0.0000   0.0000  315.859   78.761  ?   ?   131.842   16.902      ?      ? 
1 1 1   19   15   18 o   60.812   15.354   59.179   43.554   86.004   57.488   23.036   66.729   68.015   21.423   53.610   22.001 14.40460 30.70815 
1 1 1   19   15   20 o   88.595   16.873  154.562   55.186  197.971   79.061  113.315   77.067  100.314   22.814   76.877   24.867 23.43639 33.74697 
1 1 1   19   15   22 o   77.480   16.566  119.021   50.521  151.597   70.883   85.387   72.025   86.801   22.808   68.159   24.031 18.64145 33.13128 
1 1 1   19   15   24 o   47.050   13.254   26.032   30.494   22.960   36.030   33.788   57.251   42.369   16.576   51.731   20.686 -9.361511 26.50858 
1 1 1   19   16    3 o  267.448   16.501  1304.95  155.831  1365.59  226.329  1250.29  214.874  273.310   23.430  261.587   23.241 11.72287 33.00107 
1 1 1   19   16    5 o  216.792   15.352  854.595  116.157  1044.40  169.358  686.003  159.616  239.985   19.967  193.600   23.327 46.38487 30.70489 
1 1 1   19   16    7 o  249.600   14.775  1088.83  125.586  1305.16  214.583  976.129  154.882  267.024   22.737  232.176   18.874 34.84760 29.54959 
1 1 1   19   16    9 o  250.076   14.480  1156.70  120.939  1083.56  204.088  1196.29  150.140  242.562   23.805  257.589   16.491 -15.02679 28.95946 
1 1 1   19   16   11 o   45.277   12.732   19.750   31.058 -12.3294   53.583   35.980   38.113   42.183   18.559   48.372   17.435 -6.188229 25.46409 
1 1 1   19   16   13 o  210.989   14.533  824.297  104.771  787.382  169.047  847.319  133.503  206.031   23.214  215.947   17.491 -9.915497 29.06625 
1 1 1   19   16   15 o   97.487   16.884  183.522   57.977  217.219   84.437  153.463   79.749  106.048   23.175   88.927   24.561 17.12158 33.76880 
1 1 1   19   16   17 o  113.010   15.614  248.183   60.298  210.380   90.521  278.337   80.846  103.185   25.068  122.836   18.622 -19.65150 31.22782 
1 1 1   19   16   19 o   60.991   14.435   60.764   40.833  107.608   55.795   6.7410   59.919   74.360   20.547   47.623   20.280 26.73689 28.86924 
1 1 1   19   16   21 o  133.327   16.167  347.797   74.376  380.379  112.733  322.684   98.971  139.492   22.866  127.162   22.861 12.32957 32.33365 
1 1 1   19   16   23 o   66.789   15.605   86.861   42.353   79.604   55.355   97.107   65.775   63.906   21.098   69.673   22.998 -5.767227 31.20973 
1 1 1   19   17    0 o  151.936   19.661  439.850  101.522  465.448  134.312  405.732  155.062  159.351   23.847  144.520   31.266 14.83089 39.32209 
1 1 1   19   17    2 o  151.755   16.010  414.032   85.874   0.0000   0.0000  414.032   85.874  ?   ?   151.755   16.010      ?      ? 
1 1 1   19   17    4 o  207.199   13.328  748.279   95.108  911.329  157.660  654.999  119.249  223.975   19.916  190.423   17.718 33.55237 26.65666 
1 1 1   19   17    6 o  199.803   14.182  728.141   96.899  720.600  157.708  732.715  122.815  198.212   22.511  201.393   17.254 -3.180771 28.36302 
1 1 1   19   17    8 o   18.957   6.7966 -26.5714   10.025 -41.7885   30.366 -24.7100   10.620   25.148   12.034   12.767   6.3202 12.38064 13.59315 
1 1 1   19   17   10 o   72.806   14.570  101.590   39.768   76.509   61.191  119.931   52.326   66.023   22.193   79.590   18.885 -13.56686 29.14044 
1 1 1   19   17   12 o  118.480   15.198  256.012   61.466  338.689   95.393  197.318   80.375  135.782   19.877  101.179   22.997 34.60268 30.39673 
1 1 1   19   17   14 o   79.763   15.857  122.151   46.498  129.395   68.048  115.807   63.685   81.847   22.719   77.680   22.127 4.166260 31.71371 
1 1 1   19   17   16 o   60.781   22.222   59.713   62.236   0.0000   0.0000   59.713   62.236  ?   ?    60.781   22.222      ?      ? 
1 1 1   19   17   18 o   52.781   13.932   41.650   35.036   31.203   47.995   53.570   51.265   49.162   19.160   56.400   20.232 -7.237953 27.86483 
1 1 1   19   17   20 o   76.742   16.584  115.681   51.297  163.683   73.969   71.208   71.199   89.477   23.197   64.007   23.707 25.46961 33.16788 
1 1 1   19   18    1 o  184.187   18.331  618.964  116.297  584.711  147.102  676.059  189.918  178.333   23.338  190.041   28.275 -11.70792 36.66236 
1 1 1   19   18    3 o  151.010   19.625  429.904   98.713  419.579  123.769  447.952  163.637  150.961   23.197  151.060   31.661 -0.9880066E-01 39.24947 
1 1 1   19   18    5 o  180.145   16.423  650.288   92.429  464.040  150.895  762.136  116.934  154.827   28.629  205.462   16.102 -50.63457 32.84669 
1 1 1   19   18    7 o   68.970   14.676   89.660   39.722   60.337   61.370  110.801   52.109   61.477   22.128   76.462   19.285 -14.98510 29.35196 
1 1 1   19   18    9 o   55.599   13.373   46.409   34.494   5.4890   49.578   84.803   48.023   44.007   18.580   67.191   19.240 -23.18384 26.74681 
1 1 1   19   18   11 o   90.093   15.986  156.714   50.761  166.295   74.242  148.303   69.560   92.618   22.826   87.568   22.388 5.049644 31.97292 
1 1 1   19   18   13 o   86.599   16.206  144.746   50.195  165.280   75.704  128.637   67.053   91.836   23.289   81.363   22.541 10.47318 32.41107 
1 1 1   19   18   15 o  160.199   14.463  486.127   80.380  464.045  124.206  502.040  105.435  156.006   22.526  164.391   18.146 -8.385345 28.92577 
1 1 1   19   18   17 o   44.451   17.820   21.010   42.600   0.0000   0.0000   21.010   42.600  ?   ?    44.451   17.820      ?      ? 
1 1 1   19   18   19 o  139.035   15.372  374.020   74.857  426.245  115.775  336.501   98.129  146.877   22.302  131.193   21.162 15.68338 30.74439 
1 1 1   19   19    0 o  290.500   17.130  1551.47  175.108  1395.90  235.423  1744.13  261.981  274.310   24.282  306.690   24.169 -32.38052 34.25993 
1 1 1   19   19    2 o  174.247   16.956  525.940  100.859  406.316  125.211  746.977  170.203  147.936   23.947  200.558   24.011 -52.62206 33.91117 
1 1 1   19   19    4 o  161.828   17.407  423.103   88.774  229.016  106.851  855.631  159.510  107.993   27.822  215.663   20.926 -107.6705 34.81355 
1 1 1   19   19    6 o  323.728   17.302  1945.76  197.016  1732.29  264.842  2210.26  294.805  303.889   24.658  343.567   24.277 -39.67783 34.60336 
1 1 1   19   19    8 o  131.168   20.164  277.601   79.347  218.296   89.489  495.654  171.594  105.765   24.431  156.571   32.086 -50.80527 40.32867 
1 1 1   19   19   10 o  100.664   15.447   69.936   42.648   27.303   44.975  450.332  134.342   47.520   18.540  153.808   24.712 -106.2877 30.89380 
1 1 1   19   19   12 o  172.975   14.165  592.235   80.879  425.332  126.044  709.055  105.451  148.956   23.941  196.995   15.145 -48.03828 28.32941 
1 1 1   19   19   14 o   49.875   13.032   37.606   31.281   53.307   41.428   16.782   47.711   54.455   18.261   45.296   18.598 9.159122 26.06434 
1 1 1   19   19   16 o   54.927   13.510   50.665   33.972   78.079   46.949   20.535   49.219   63.426   19.254   46.428   18.956 16.99775 27.01979 
1 1 1   19   19   18 o  116.364   15.464  274.453   61.606  252.928   91.931  291.998   82.999  109.890   24.313  122.839   19.117 -12.94915 30.92887 
1 1 1   19   20    1 o  145.559   13.474  384.618   68.295  409.405  107.404  367.793   88.489  149.084   20.383  142.034   17.627 7.050690 26.94776 
1 1 1   19   20    3 o   29.606   9.0226   0.8911   15.822 -24.1098   33.669   7.9765   17.924   30.068   13.822   29.144   11.601 0.9245129 18.04522 
1 1 1   19   20    5 o   55.428   13.122   51.407   30.917   72.763   45.371   32.894   42.243   62.500   18.918   48.355   18.191 14.14468 26.24494 
1 1 1   19   20    7 o  173.674   14.474  560.376   86.647  570.190  138.975  554.136  110.824  173.926   22.607  173.423   18.080 0.5036621 28.94813 
1 1 1   19   20    9 o   80.307   20.002   97.253   54.915   83.826   59.675  171.487  140.314   67.093   21.894   93.521   33.480 -26.42766 40.00357 
1 1 1   19   20   11 o   72.076   19.201   78.263   49.276   74.947   52.579  102.194  141.248   63.252   20.547   80.899   32.442 -17.64711 38.40148 
1 1 1   19   20   13 o   58.462   12.241   61.628   28.572   96.101   42.336   32.795   38.719   70.309   17.182   46.616   17.439 23.69351 24.48164 
1 1 1   19   20   15 o   42.832   10.708   27.073   20.751   47.073   31.966   12.505   27.281   50.208   15.992   35.455   14.244 14.75220 21.41547 
1 1 1   19   21    0 o  135.949   15.470  341.404   72.013  412.025  112.428  292.274   93.774  148.588   21.408  123.311   22.338 25.27783 30.94019 
1 1 1   19   21    2 o  100.049   13.463  188.484   45.157  201.924   71.408  179.527   58.294  102.569   20.415   97.528   17.557 5.041115 26.92633 
1 1 1   19   21    4 o   93.197   14.623  174.689   47.946  114.736   73.667  218.750   63.153   77.188   24.241  109.205   16.362 -32.01717 29.24575 
1 1 1   19   21    6 o  134.467   16.004  349.249   74.256  379.541  106.046  320.109  104.011  141.615   21.187  127.319   23.993 14.29598 32.00875 
1 1 1   19   21    8 o   92.458   13.182  164.182   39.282  160.576   70.392  165.812   47.339   89.735   22.294   95.181   14.072 -5.445885 26.36320 
1 1 1   19   21   10 o   49.284   12.535   38.964   28.068   27.877   38.300   51.827   41.253   44.907   17.220   53.660   18.221 -8.753399 25.07025 
1 1 1   19   21   12 o   81.937   20.034  145.694   67.075  165.197   73.051   40.899  169.337   89.557   22.968   74.318   32.831 15.23895 40.06750 
1 1 1   19   22    1 o   40.967   9.3113   15.260   16.865   59.814   29.581  -6.1983   20.529   56.167   14.722   25.767   11.405 30.39946 18.62259 
1 1 1   19   22    3 o   76.903   15.267  114.925   43.101  135.331   65.106   99.005   57.506   82.549   21.939   71.257   21.237 11.29218 30.53439 
1 1 1   19   22    5 o   72.841   14.520  103.355   38.855  118.325   58.579   91.596   51.919   77.213   20.937   68.470   20.122 8.743240 29.03917 
1 1 1   19   22    7 o   56.724   13.964   57.238   34.999   39.637   51.503   72.339   47.706   52.002   19.961   61.446   19.532 -9.444187 27.92806 
1 1 1   19   22    9 o   75.609   12.824  102.309   32.784  156.809   57.221   75.677   40.000   89.047   18.772   62.171   17.476 26.87564 25.64782 
1 1 1   19   23    0 o  113.989   14.818  254.158   57.189  279.714   86.624  234.412   76.141  118.888   21.402  109.089   20.500 9.798485 29.63612 
1 1 1   19   23    2 o   69.786   21.423   96.502   57.908   96.502   57.908   0.0000   0.0000   69.786   21.423  ?   ?       ?      ? 
1 1 1   19   23    4 o  104.589   14.536  218.477   51.534  216.799   77.220  219.825   69.198  103.502   21.797  105.675   19.236 -2.172112 29.07113 
1 1 1   19   23    6 o   41.279   15.670   24.629   31.517   0.0000   0.0000   24.629   31.517  ?   ?    41.279   15.670      ?      ? 
1 1 1   20    0    0 o   96.993   19.526  203.225   82.025  203.225   82.025  203.225   82.025   96.993   27.614   96.993   27.614 -0.000000 0.000000 
1 1 1   20    0    2 o  125.269   11.520  292.093   68.761  292.093   68.761  292.093   68.761  125.269   16.291  125.269   16.291 -0.000000 0.000000 
1 1 1   20    0    4 o  127.023   11.744  300.609   71.037  300.609   71.037  300.609   71.037  127.023   16.609  127.023   16.609 -0.000000 0.000000 
1 1 1   20    0    6 o  180.869   11.335  594.197  100.626  594.197  100.626  594.197  100.626  180.869   16.030  180.869   16.030 -0.000000 0.000000 
1 1 1   20    0   10 o  431.317   13.080  3329.76  280.816  3329.76  280.816  3329.76  280.816  431.317   18.498  431.317   18.498 -0.000000 0.000000 
1 1 1   20    0   12 o  209.680   11.706  796.233  120.932  796.233  120.932  796.233  120.932  209.680   16.555  209.680   16.555 -0.000000 0.000000 
1 1 1   20    0   14 o  296.449   11.948  1579.05  175.726  1579.05  175.726  1579.05  175.726  296.449   16.897  296.449   16.897 -0.000000 0.000000 
1 1 1   20    0   16 o  125.142   12.618  295.227   74.282  295.227   74.282  295.227   74.282  125.142   17.844  125.142   17.844 -0.000000 0.000000 
1 1 1   20    0   18 o   50.729   17.001   67.635   48.965   67.635   48.965   67.635   48.965   50.729   24.043   50.729   24.043 -0.000000 0.000000 
1 1 1   20    0   20 o  205.301   12.683  769.285  127.867  769.285  127.867  769.285  127.867  205.301   17.937  205.301   17.937 -0.000000 0.000000 
1 1 1   20    0   22 o   47.416   17.776   58.795   56.654   58.795   56.654   58.795   56.654   47.416   25.139   47.416   25.139 -0.000000 0.000000 
1 1 1   20    0   24 o  134.793   15.550  351.461   96.394  351.461   96.394  351.461   96.394  134.793   21.990  134.793   21.990 -0.000000 0.000000 
1 1 1   20    0   26 o   57.461   20.171   89.598   70.011   89.598   70.011   89.598   70.011   57.461   28.526   57.461   28.526 -0.000000 0.000000 
1 1 1   20    0   28 o  152.032   20.968  472.951  141.974  472.951  141.974  472.951  141.974  152.032   29.653  152.032   29.653 -0.000000 0.000000 
1 1 1   20    0   30 o  134.394   15.221  355.703   94.383  355.703   94.383  355.703   94.383  134.394   21.525  134.394   21.525 -0.000000 0.000000 
1 1 1   20    1    1 f  217.668   11.239  843.753   86.414  878.534  122.294  809.069  122.122  222.181   15.573  213.154   16.210 9.027008 22.47847 
1 1 1   20    1    3 o  255.245   11.441  1160.95  103.208  1145.82  145.976  1176.07  145.939  253.568   16.288  256.922   16.071 -3.353867 22.88200 
1 1 1   20    1    5 o   80.783   12.066  120.821   33.371  118.396   47.299  123.224   47.089   79.936   17.248   81.631   16.878 -1.694809 24.13204 
1 1 1   20    1    7 o  178.913   15.941  644.654   85.558  436.715  147.604  749.872  104.996  152.644   28.404  205.183   14.478 -52.53912 31.88123 
1 1 1   20    1    9 o   52.743   12.805   42.940   27.950   57.704   46.802   34.756   34.846   58.247   19.408   47.239   16.709 11.00731 25.60966 
1 1 1   20    1   11 o  109.040   13.774  197.657   49.902  148.340   60.878  298.657   87.121   89.136   19.835  128.943   19.116 -39.80741 27.54725 
1 1 1   20    1   13 o  109.271   14.805  231.875   51.956  255.543   63.754  185.077   89.648  119.594   15.083   98.949   25.480 20.64571 29.60936 
1 1 1   20    1   15 o  129.468   11.559  300.141   52.823  322.129   75.652  279.223   73.789  134.134   15.957  124.802   16.728 9.331856 23.11863 
1 1 1   20    1   17 o  103.334   12.732  194.458   45.275  224.578   65.927  167.576   62.284  111.882   16.672   94.786   19.248 17.09557 25.46481 
1 1 1   20    1   19 o  170.688   12.060  524.250   72.734  515.488  103.436  532.819  102.296  169.234   17.293  172.141   16.813 -2.906799 24.11907 
1 1 1   20    1   21 o   98.419   15.157  183.108   51.230  177.463   73.039  188.575   71.875   96.807   21.863  100.031   20.998 -3.223557 30.31377 
1 1 1   20    1   23 o  168.665   14.495  490.299   83.911  388.897  104.962  669.873  139.679  145.916   20.352  191.415   20.646 -45.49922 28.99075 
1 1 1   20    1   25 f  141.142   17.226  376.211   81.127  383.740  132.602  371.706  102.562  140.135   27.754  142.149   20.414 -2.014633 34.45287 
1 1 1   20    1   27 o  179.535   15.443  573.853   95.113  484.170  118.332  737.556  159.873  161.194   20.770  197.876   22.859 -36.68175 30.88579 
1 1 1   20    1   29 o  137.359   13.885  354.877   67.291  327.866   92.640  385.046   97.907  131.726   19.898  142.992   19.372 -11.26654 27.77072 
1 1 1   20    1   31 o   58.707   14.860   54.859   40.982   20.671   55.825   94.820   60.354   48.361   20.014   69.053   21.972 -20.69213 29.72062 
1 1 1   20    2    0 o  257.884   11.333  1184.57  103.200  1125.48  145.860  1243.80  146.034  251.395   16.416  264.373   15.628 -12.97839 22.66550 
1 1 1   20    2    2 o  301.335   11.730  1618.44  124.913  1646.65  176.800  1590.32  176.508  303.978   16.456  298.693   16.719 5.284546 23.45911 
1 1 1   20    2    4 o   37.174   9.7862   16.260   18.006   30.088   25.279   2.0188   25.653   42.494   14.264   31.853   13.402 10.64176 19.57234 
1 1 1   20    2    6 o  227.235   14.191  944.296  105.807  874.462  184.550  978.490  129.138  220.200   23.712  234.269   15.596 -14.06900 28.38171 
1 1 1   20    2    8 o  246.569   16.094  1097.62  139.969  1013.90  197.246  1182.54  198.654  236.911   23.556  256.226   21.936 -19.31477 32.18797 
1 1 1   20    2   10 o   81.562   14.455  110.444   39.232  168.905   72.289   86.037   46.709   94.928   21.979   68.196   18.781 26.73191 28.91044 
1 1 1   20    2   12 o  310.144   14.952  1752.06  152.949  1688.28  266.944  1783.23  186.618  304.706   24.787  315.583   16.731 -10.87677 29.90495 
1 1 1   20    2   14 o   65.223   12.345   75.355   31.577  123.517   45.599   30.979   43.770   81.646   16.371   48.801   18.480 32.84477 24.68911 
1 1 1   20    2   16 o  106.825   12.735  208.451   46.968  200.872   67.709  215.480   65.206  104.052   19.115  109.597   16.833 -5.545425 25.47073 
1 1 1   20    2   18 o   60.430   13.903   64.115   36.114   22.633   58.702   89.375   45.808   51.642   20.842   69.218   18.406 -17.57564 27.80573 
1 1 1   20    2   20 o   79.054   15.820  106.970   45.405   77.283   56.432  161.473   76.464   65.908   21.275   92.199   23.419 -26.29097 31.63982 
1 1 1   20    2   22 o  165.464   12.617  495.209   73.641  537.512  105.407  454.876  102.924  172.482   17.290  158.446   18.379 14.03633 25.23359 
1 1 1   20    2   24 o   78.007   23.124  114.817   68.315   0.0000   0.0000  114.817   68.315  ?   ?    78.007   23.124      ?      ? 
1 1 1   20    2   26 o   48.308   14.371   7.7805   42.028   22.803   59.864  -6.8197   59.017   51.460   20.946   45.156   19.681 6.304710 28.74191 
1 1 1   20    2   28 o   80.307   18.513  123.086   60.016  108.578   79.738  142.047   91.154   75.764   25.334   84.849   27.003 -9.085258 37.02671 
1 1 1   20    2   30 o   76.378   17.320  117.118   53.286  101.965   77.605  130.634   73.294   72.565   24.984   80.192   23.993 -7.627197 34.63910 
1 1 1   20    3    1 o  590.669   14.648  6247.89  305.730  6093.99  432.420  6401.72  432.316  583.297   20.975  598.040   20.453 -14.74213 29.29591 
1 1 1   20    3    3 o  284.915   11.684  1448.08  117.600  1397.64  166.508  1498.28  166.115  279.915   16.830  289.915   16.211 -9.999969 23.36797 
1 1 1   20    3    5 o   38.839   9.4748   17.849   17.492   42.836   25.847  -3.2650   23.760   48.610   14.173   29.067   12.579 19.54272 18.94951 
1 1 1   20    3    7 o  153.930   15.555  426.731   84.605  416.140  119.755  437.285  119.545  151.985   22.293  155.876   21.699 -3.891617 31.10978 
1 1 1   20    3    9 o   43.744   16.163   26.814   33.056   26.814   33.056   0.0000   0.0000   43.744   16.163  ?   ?       ?      ? 
1 1 1   20    3   11 o  278.661   11.608  1389.78  114.281  1354.17  162.227  1424.85  161.016  275.060   16.687  282.263   16.140 -7.202942 23.21516 
1 1 1   20    3   13 o   65.353   13.881   78.333   34.373   68.891   55.168   84.324   43.945   63.321   21.070   67.384   18.077 -4.062496 27.76195 
1 1 1   20    3   15 o  302.933   11.966  1646.69  128.065  1609.21  182.224  1683.27  180.018  299.447   17.217  306.419   16.622 -6.971832 23.93161 
1 1 1   20    3   17 o   97.702   13.113  176.821   43.583  190.706   63.419  164.395   59.994  101.450   18.363   93.954   18.724 7.495987 26.22536 
1 1 1   20    3   19 o   39.683   11.626   5.9228   27.228   19.465   37.296  -9.5323   39.844   42.836   16.834   36.530   16.039 6.305912 23.25153 
1 1 1   20    3   21 o  207.952   14.567  797.735  100.518  820.013  123.752  754.535  172.324  213.386   16.408  202.517   24.075 10.86830 29.13478 
1 1 1   20    3   23 o  273.480   15.348  1360.28  141.825  1327.94  175.673  1420.81  240.338  270.324   18.387  276.636   24.581 -6.312012 30.69652 
1 1 1   20    3   25 f  109.532   17.365  224.293   63.505  267.927  106.857  200.467   78.962  116.967   26.466  102.097   22.490 14.86963 34.73058 
1 1 1   20    3   27 o   85.905   18.339  137.530   58.353  176.159   98.640  116.733   72.375   93.918   27.774   77.892   23.957 16.02649 36.67815 
1 1 1   20    3   29 o   86.364   16.327  148.267   50.377  138.299   66.358  161.827   77.396   83.274   22.157   89.454   23.987 -6.179565 32.65470 
1 1 1   20    3   31 o   70.353   16.247   99.119   46.213  100.451   60.904   97.311   70.951   70.628   22.018   70.079   23.895 0.5489273 32.49300 
1 1 1   20    4    0 o   95.140   11.372  163.719   37.306  180.564   53.412  147.674   52.129  100.730   15.002   89.550   17.094 11.18042 22.74331 
1 1 1   20    4    2 o  152.629   11.017  414.972   59.430  416.937   84.497  413.049   83.605  152.983   15.627  152.275   15.534 0.7077637 22.03433 
1 1 1   20    4    4 o  283.257   11.574  1432.65  115.740  1355.13  163.901  1509.76  163.463  275.531   16.830  290.983   15.894 -15.45215 23.14897 
1 1 1   20    4    6 o  312.705   17.311  1774.26  190.370  1582.33  270.224  1963.39  268.235  295.440   25.878  329.970   23.000 -34.53049 34.62175 
1 1 1   20    4    8 o  225.930   14.373  930.923  107.672  958.120  132.409  877.831  184.999  231.577   16.177  220.282   23.761 11.29439 28.74543 
1 1 1   20    4   10 o   48.220   12.845   30.596   29.975   38.637   39.830   20.093   45.519   50.062   17.847   46.378   18.479 3.684311 25.68983 
1 1 1   20    4   12 o  126.108   14.975  286.891   61.936  276.504   76.158  307.178  106.437  124.183   17.351  128.033   24.412 -3.850166 29.94985 
1 1 1   20    4   14 o  232.355   11.314  966.215   92.883  1002.51  132.817  931.478  129.945  236.646   15.879  228.064   16.121 8.581772 22.62800 
1 1 1   20    4   16 o  252.886   11.893  1148.23  106.237  1119.95  151.602  1175.52  148.918  249.743   17.175  256.030   16.456 -6.286743 23.78633 
1 1 1   20    4   18 o  302.675   15.365  1676.02  151.980  1637.11  270.452  1693.98  183.734  298.424   25.641  306.926   16.937 -8.501984 30.72994 
1 1 1   20    4   20 o  203.638   11.928  748.202   85.688  701.584  121.860  793.794  120.513  197.211   17.483  210.066   16.231 -12.85510 23.85606 
1 1 1   20    4   22 o  290.024   12.275  1521.47  125.818  1533.56  179.310  1509.73  176.590  291.134   17.426  288.914   17.293 2.220093 24.55020 
1 1 1   20    4   24 o  149.835   18.741  493.743   86.252  268.924  146.094  614.036  106.865  115.602   33.692  184.069   16.426 -68.46767 37.48242 
1 1 1   20    4   26 o   99.423   18.105  197.356   60.750  204.570   72.399  180.193  111.676  103.422   20.530   95.424   29.826 7.997849 36.20914 
1 1 1   20    4   28 o   74.698   15.913   94.190   46.524   50.855   58.442  169.164   76.871   57.307   21.428   92.090   23.530 -34.78305 31.82523 
1 1 1   20    4   30 o   68.037   13.531   42.517   39.841 -24.4082   47.626  198.515   72.713   36.569   16.670   99.505   21.317 -62.93585 27.06123 
1 1 1   20    5    1 o  125.551   11.414  281.984   50.467  260.217   72.391  302.567   70.394  120.764   16.960  130.338   15.281 -9.574104 22.82870 
1 1 1   20    5    3 o  309.101   11.612  1705.33  126.815  1656.78  179.819  1753.37  178.872  304.672   16.699  313.529   16.142 -8.856842 23.22488 
1 1 1   20    5    5 o  251.512   13.772  1120.14  115.379  1176.53  202.071  1092.86  140.540  255.572   22.370  247.451   16.069 8.120132 27.54351 
1 1 1   20    5    7 o  290.692   11.880  1512.26  121.909  1428.64  172.663  1595.38  172.149  282.573   17.288  298.811   16.300 -16.23831 23.76069 
1 1 1   20    5    9 o  289.414   11.747  1505.42  119.169  1280.07  167.977  1733.76  169.090  267.249   17.783  311.578   15.354 -44.32898 23.49472 
1 1 1   20    5   11 o  206.266   15.797  768.781  115.037  719.437  159.741  821.940  165.801  199.328   22.674  213.205   22.002 -13.87668 31.59458 
1 1 1   20    5   13 o  102.941   13.067  196.881   45.760  151.825   65.248  240.491   64.192   89.948   20.919  115.934   15.666 -25.98526 26.13471 
1 1 1   20    5   15 o  152.727   12.130  418.514   65.450  425.757   94.239  411.765   90.969  153.980   17.316  151.473   16.992 2.506607 24.26023 
1 1 1   20    5   17 o   67.816   13.479   86.157   36.646   33.872   55.688  126.091   48.669   53.375   20.684   82.258   17.289 -28.88299 26.95798 
1 1 1   20    5   19 o  266.901   14.519  1280.17  129.681  1251.68  158.886  1337.04  224.445  263.619   17.053  270.183   23.503 -6.564209 29.03791 
1 1 1   20    5   21 o  153.016   14.360  439.648   73.392  381.220  120.884  473.757   92.362  143.866   23.773  162.165   16.114 -18.29962 28.72024 
1 1 1   20    5   23 o   84.146   17.911  118.620   57.600  199.011   96.499   74.126   71.791  101.130   26.630   67.163   23.958 33.96739 35.82131 
1 1 1   20    5   25 o   88.906   15.658  147.984   48.793  119.608   63.575  188.655   76.111   78.952   21.975   98.860   22.312 -19.90748 31.31678 
1 1 1   20    5   27 o  118.437   19.087  264.037   68.292  251.698   77.246  308.194  146.130  116.396   18.777  120.479   33.236 -4.083694 38.17317 
1 1 1   20    5   29 o  108.436   15.577  240.553   57.432  279.199   75.311  186.843   88.785  121.983   17.468   94.889   25.796 27.09370 31.15347 
1 1 1   20    6    0 o   55.494   10.373   54.166   22.233   87.858   32.410   24.218   30.556   69.085   13.757   41.904   15.529 27.18076 20.74558 
1 1 1   20    6    2 o  128.600   10.639  294.635   48.283  317.006   68.973  273.138   67.611  133.415   14.627  123.785   15.454 9.630180 21.27826 
1 1 1   20    6    4 o   35.377   10.209  -0.1009   23.374 -109.0273   52.126   27.313   26.151   29.236   14.383   41.518   14.491 -12.28188 20.41727 
1 1 1   20    6    6 o  222.042   11.165  884.538   86.951  759.443  122.870  1010.03  123.065  206.079   16.869  238.006   14.629 -31.92657 22.32906 
1 1 1   20    6    8 o  168.360   11.219  509.324   66.204  435.224   93.706  583.172   93.546  155.927   17.003  180.792   14.639 -24.86598 22.43705 
1 1 1   20    6   10 o   98.473   14.311  163.980   48.115  116.465   59.905  250.358   80.769   78.972   21.071  117.974   19.371 -39.00149 28.62185 
1 1 1   20    6   12 o  152.018   11.501  413.871   61.788  412.734   87.980  414.977   86.796  151.795   16.399  152.240   16.131 -0.4449768 23.00243 
1 1 1   20    6   14 o  224.437   11.561  902.850   91.698  903.443  130.561  902.273  128.818  224.489   16.455  224.384   16.243 0.1045380 23.12136 
1 1 1   20    6   16 o  146.472   11.168  384.433   57.805  390.627   82.821  378.549   80.717  147.611   15.875  145.332   15.714 2.279221 22.33665 
1 1 1   20    6   18 o   76.430   17.347  105.987   51.890  112.552   63.960   93.346   88.757   77.592   22.200   75.267   26.662 2.325195 34.69407 
1 1 1   20    6   20 o  110.492   13.343  223.233   50.570  185.866   68.877  266.932   74.485   99.397   20.292  121.587   17.333 -22.18936 26.68676 
1 1 1   20    6   22 o  110.061   13.970  218.964   52.000  145.699   68.399  319.304   80.045   87.343   22.130  132.780   17.056 -45.43748 27.94021 
1 1 1   20    6   24 o   69.637   14.271   73.373   40.610   20.190   51.727  158.809   65.562   48.191   19.524   91.083   20.820 -42.89256 28.54203 
1 1 1   20    6   26 o   58.858   14.334   44.744   35.680   17.863   43.101  103.272   63.599   44.202   17.852   73.514   22.431 -29.31110 28.66762 
1 1 1   20    6   28 o  113.047   13.824  247.598   52.549  259.076   68.347  231.001   82.184  118.197   16.360  107.896   22.288 10.30067 27.64830 
1 1 1   20    6   30 o  125.992   16.938  321.331   65.569  317.702   76.844  331.045  125.738  129.614   16.774  122.370   29.432 7.243210 33.87626 
1 1 1   20    7    1 o  236.176   16.195  1005.49  135.119  992.141  193.347  1018.24  188.904  234.558   23.322  237.793   22.476 -3.234558 32.38980 
1 1 1   20    7    3 o  254.343   15.258  1216.54  125.109  1027.98  218.914  1307.99  152.460  237.996   26.025  270.690   15.935 -32.69394 30.51582 
1 1 1   20    7    5 o  104.946   12.829  184.553   44.859  142.404   55.023  268.103   77.468   87.552   18.367  122.341   17.916 -34.78931 25.65768 
1 1 1   20    7    7 o   51.208   12.012   45.051   25.316   34.647   40.997   51.464   32.185   49.084   18.023   53.331   15.887 -4.246613 24.02492 
1 1 1   20    7    9 o  233.449   11.246  977.709   92.381  875.188  130.878  1079.51  130.415  221.063   16.751  245.835   15.009 -24.77242 22.49148 
1 1 1   20    7   11 o  185.168   15.456  628.609   98.178  452.820  137.163  813.286  140.589  157.681   24.611  212.656   18.705 -54.97421 30.91270 
1 1 1   20    7   13 o   60.869   12.841   65.288   30.689   41.496   42.362   91.567   44.521   51.674   18.407   70.064   17.910 -18.39044 25.68237 
1 1 1   20    7   15 o   42.845   15.949   25.281   32.305   25.281   32.305   0.0000   0.0000   42.845   15.949  ?   ?       ?      ? 
1 1 1   20    7   17 f   91.688   14.229  157.399   44.758  148.368   60.951  167.969   65.939   88.838   19.905   94.539   20.337 -5.701668 28.45730 
1 1 1   20    7   19 o  159.060   10.769  453.457   60.415  413.915   83.529  496.836   87.488  151.746   15.574  166.375   14.878 -14.62906 21.53839 
1 1 1   20    7   21 o  375.546   12.449  2560.74  164.520  2277.17  231.384  2850.70  233.970  353.994   18.493  397.097   16.670 -43.10284 24.89788 
1 1 1   20    7   23 o  123.844   13.022  279.678   56.433  276.844   74.606  283.468   86.275  123.388   17.107  124.301   19.638 -0.9130020 26.04422 
1 1 1   20    7   25 o  129.615   12.804  301.689   57.894  247.626   75.838  377.203   89.630  115.914   18.511  143.317   17.694 -27.40272 25.60759 
1 1 1   20    7   27 o   86.274   15.011  149.159   44.904  159.981   57.232  131.829   72.426   91.137   18.401   81.411   23.721 9.726692 30.02119 
1 1 1   20    7   29 o   95.319   15.713  187.459   50.451  195.851   62.696  172.043   84.977  100.178   18.385   90.459   25.488 9.719383 31.42624 
1 1 1   20    8    0 o  127.875   10.853  291.611   49.048  296.494   69.757  286.836   68.978  128.937   15.307  126.813   15.389 2.123535 21.70578 
1 1 1   20    8    2 o  175.374   16.519  561.746  100.872  663.227  141.638  457.299  143.693  192.013   20.870  158.736   25.612 33.27727 33.03846 
1 1 1   20    8    4 o   39.121   9.6236 -13.2199   20.269   61.292   35.171 -50.2742   24.802   57.827   16.434   20.415   10.019 37.41130 19.24711 
1 1 1   20    8    6 o   72.812   13.084   99.781   34.295   74.404   49.859  122.569   47.246   64.353   19.899   81.271   16.995 -16.91736 26.16844 
1 1 1   20    8    8 o  492.212   13.952  4363.38  242.571  4195.96  343.182  4530.54  342.914  482.592   20.120  501.832   19.333 -19.23917 27.90312 
1 1 1   20    8   10 o   58.136   13.748   56.237   30.962   57.738   58.375   55.650   36.523   60.650   21.608   55.622   17.003 5.028385 27.49540 
1 1 1   20    8   12 o  127.732   14.514  296.573   62.054  308.782  101.382  289.260   78.470  128.553   23.165  126.910   17.494 1.643196 29.02852 
1 1 1   20    8   14 o  232.497   11.396  970.270   93.300  868.060  130.886  1075.86  133.032  219.881   16.842  245.114   15.356 -25.23271 22.79121 
1 1 1   20    8   16 o  187.871   11.468  633.839   75.716  547.611  105.135  726.751  109.134  174.439   17.052  201.302   15.339 -26.86304 22.93608 
1 1 1   20    8   18 o   81.896   15.369  121.659   43.262  110.627   52.855  144.051   75.304   76.657   19.471   87.136   23.785 -10.47925 30.73819 
1 1 1   20    8   20 o   53.685   13.517   23.460   35.246 -17.1072   44.601   90.928   57.519   37.243   16.627   70.127   21.317 -32.88348 27.03481 
1 1 1   20    8   22 o  108.810   16.173  262.763   57.526  323.855   69.171  125.741  103.592  134.009   14.604   83.610   28.861 50.39909 32.34536 
1 1 1   20    8   24 o  109.334   13.562  216.189   50.563  181.747   64.830  269.673   80.787   97.688   19.460  120.979   18.893 -23.29177 27.12306 
1 1 1   20    8   26 o   68.300   19.450   89.859   49.213   89.859   49.213   0.0000   0.0000   68.300   19.450  ?   ?       ?      ? 
1 1 1   20    8   28 o   62.961   15.322   70.061   38.508   63.766   45.757   85.342   71.294   58.336   19.178   67.585   23.900 -9.249371 30.64358 
1 1 1   20    9    1 o   38.643   10.754   9.3840   16.785   34.124   41.668   4.5920   18.338   49.145   18.149   28.142   11.540 21.00304 21.50706 
1 1 1   20    9    3 o  140.292   15.949  355.570   79.067  366.068  113.007  345.503  110.665  142.332   22.464  138.251   22.647 4.080780 31.89878 
1 1 1   20    9    5 o   49.378   16.789   40.409   35.023   0.0000   0.0000   40.409   35.023  ?   ?    49.378   16.789      ?      ? 
1 1 1   20    9    7 o  118.197   16.690  299.815   63.017  156.087  110.604  368.897   76.680   92.712   29.770  143.682   15.099 -50.97078 33.38005 
1 1 1   20    9    9 o   33.628   10.334  -2.4581   19.032   1.7798   41.268  -3.6030   21.449   39.865   16.897   27.391   11.902 12.47400 20.66841 
1 1 1   20    9   11 o  211.412   16.128  918.500  103.623  560.683  177.406  1103.80  127.664  174.303   28.797  248.521   14.534 -74.21848 32.25660 
1 1 1   20    9   13 o  235.025   23.032  1005.45  191.324   0.0000   0.0000  1005.45  191.324  ?   ?   235.025   23.032      ?      ? 
1 1 1   20    9   15 o   81.183   17.071  108.853   48.185  162.128   93.083   89.351   56.318   92.590   26.867   69.776   21.067 22.81417 34.14141 
1 1 1   20    9   17 f  255.080   17.362  1173.98  156.529   0.0000   0.0000  1173.98  156.529  ?   ?   255.080   17.362      ?      ? 
1 1 1   20    9   19 o   26.907   9.4662 -41.5669   21.197 -149.2290   66.172 -29.2555   22.377   31.911   15.794   21.904   10.440 10.00737 18.93233 
1 1 1   20    9   21 o   43.625   13.678 -52.3176   47.520   24.700   63.903 -147.5894   71.073   53.378   21.674   33.872   16.689 19.50605 27.35519 
1 1 1   20    9   23 o  103.994   17.952  209.325   64.663  236.445  101.017  190.498   84.166  109.325   26.434   98.663   24.297 10.66250 35.90356 
1 1 1   20    9   25 o   97.424   30.787  195.025  118.658   0.0000   0.0000  195.025  118.658  ?   ?    97.424   30.787      ?      ? 
1 1 1   20    9   27 o  111.883   29.638  270.516  119.069   0.0000   0.0000  270.516  119.069  ?   ?   111.883   29.638      ?      ? 
1 1 1   20   10    0 o  118.285   15.420  271.676   57.204  221.096  101.987  294.893   69.097  108.055   26.828  128.515   15.212 -20.46014 30.84056 
1 1 1   20   10    2 o  184.840   18.044  718.403   96.713  437.914  169.641  853.465  117.717  151.089   32.715  218.592   15.237 -67.50316 36.08894 
1 1 1   20   10    4 o   74.061   12.616   71.048   32.836  193.584   64.041   27.346   38.245  102.352   18.378   45.770   17.289 56.58195 25.23229 
1 1 1   20   10    6 o  250.317   15.207  1184.60  122.681  996.102  214.237  1276.58  149.646  233.530   25.956  267.103   15.851 -33.57268 30.41310 
1 1 1   20   10    8 o   76.885   14.120  121.059   42.365   29.063   77.083  160.873   50.710   58.921   23.847   94.850   15.127 -35.92907 28.23974 
1 1 1   20   10   10 o  116.685   14.947  247.860   55.563  258.524  100.774  243.202   66.600  116.880   25.141  116.491   16.176 0.3891754 29.89489 
1 1 1   20   10   12 o   56.437   14.902   10.762   32.175  108.926   82.113  -7.0437   34.971   78.285   25.689   34.589   15.111 43.69582 29.80381 
1 1 1   20   10   14 o  297.896   13.914  1536.10  139.935  1847.48  244.332  1384.10  170.705  318.596   21.698  277.196   17.424 41.39972 27.82781 
1 1 1   20   10   16 o   78.944   17.617  115.116   52.341   95.529   98.922  122.732   61.683   77.266   28.052   80.623   21.320 -3.356766 35.23445 
1 1 1   20   10   18 o   71.473   18.040   63.704   66.135  148.751   89.611 -38.0324   98.010   88.539   26.539   54.407   24.443 34.13162 36.08024 
1 1 1   20   10   20 o  134.938   28.487  356.938  131.596   0.0000   0.0000  356.938  131.596  ?   ?   134.938   28.487      ?      ? 
1 1 1   20   10   22 o   70.322   27.811   63.321  102.397   0.0000   0.0000   63.321  102.397  ?   ?    70.322   27.811      ?      ? 
1 1 1   20   10   24 o   76.692   28.569  100.545  103.691   0.0000   0.0000  100.545  103.691  ?   ?    76.692   28.569      ?      ? 
1 1 1   20   10   26 o   98.868   28.938  208.272  107.571   0.0000   0.0000  208.272  107.571  ?   ?    98.868   28.938      ?      ? 
1 1 1   20   10   28 o   75.709   17.821  121.129   62.043  169.224   75.969   24.805  107.512   89.854   23.612   61.564   26.699 28.29010 35.64243 
1 1 1   20   11    1 o  107.603   13.634  201.999   47.242  239.783   86.133  185.742   56.499  113.284   22.306  101.922   15.684 11.36266 27.26776 
1 1 1   20   11    3 o  307.417   17.051  1719.42  185.039  1624.86  261.949  1813.59  261.420  298.723   24.810  316.111   23.398 -17.38770 34.10291 
1 1 1   20   11    5 o  173.941   17.654  634.468   89.802  392.219  156.992  752.284  109.483  142.749   31.917  205.134   15.100 -62.38445 35.30883 
1 1 1   20   11    7 o  289.825   15.662  1555.81  147.792  1433.14  260.541  1614.01  179.458  279.698   26.355  299.952   16.927 -20.25372 31.32305 
1 1 1   20   11    9 o  105.804   16.986  225.578   59.384  156.565  108.818  254.848   70.867   92.442   29.512  119.165   16.826 -26.72311 33.97168 
1 1 1   20   11   11 o  128.799   16.427  307.671   65.562  308.272  123.464  307.435   77.372  126.793   28.271  130.807   16.735 -4.014061 32.85307 
1 1 1   20   11   13 o  219.416   22.904  879.638  177.622   0.0000   0.0000  879.638  177.622  ?   ?   219.416   22.904      ?      ? 
1 1 1   20   11   15 f   78.586   21.644  116.316   62.030   0.0000   0.0000  116.316   62.030  ?   ?    78.586   21.644      ?      ? 
1 1 1   20   11   17 o  205.155   16.802  760.742  121.829   0.0000   0.0000  760.742  121.829  ?   ?   205.155   16.802      ?      ? 
1 1 1   20   11   19 o   61.088   24.215   42.309   77.803   0.0000   0.0000   42.309   77.803  ?   ?    61.088   24.215      ?      ? 
1 1 1   20   11   21 o   90.489   28.252  159.367  100.228   0.0000   0.0000  159.367  100.228  ?   ?    90.489   28.252      ?      ? 
1 1 1   20   11   23 f   85.558   13.522   58.754   45.926 -22.8254   52.492  325.016   94.833   39.426   17.784  131.690   20.374 -92.26378 27.04426 
1 1 1   20   11   25 o  112.253   17.379  224.508   68.349  133.259   84.199  400.814  117.037   81.210   25.964  143.297   23.108 -62.08712 34.75767 
1 1 1   20   11   27 o  172.177   15.135  588.743   89.296  566.391  142.388  603.232  114.642  167.029   24.119  177.324   18.292 -10.29434 30.27078 
1 1 1   20   12    0 o  144.482   15.526  375.705   69.600  400.482  131.554  366.075   82.020  145.973   26.473  142.992   16.229 2.980911 31.05171 
1 1 1   20   12    2 o  218.089   16.282  860.929  125.070  966.145  181.592  765.976  172.508  230.923   22.249  205.255   23.779 25.66739 32.56463 
1 1 1   20   12    4 o  142.060   16.362  377.031   72.939  360.279  131.670  384.447   87.609  137.720   28.004  146.399   16.931 -8.679031 32.72445 
1 1 1   20   12    6 o  212.046   17.501  818.846  130.999  776.043  180.088  866.945  190.907  206.186   24.712  217.906   24.788 -11.72017 35.00146 
1 1 1   20   12    8 o  416.468   16.300  3218.36  223.351  2977.00  386.608  3339.26  273.635  402.145   27.200  430.791   17.972 -28.64655 32.60082 
1 1 1   20   12   10 o  285.973   16.202  1468.63  163.766   0.0000   0.0000  1468.63  163.766  ?   ?   285.973   16.202      ?      ? 
1 1 1   20   12   12 o  239.698   24.316  1055.11  206.006   0.0000   0.0000  1055.11  206.006  ?   ?   239.698   24.316      ?      ? 
1 1 1   20   12   14 o  167.701   22.740  515.642  134.785   0.0000   0.0000  515.642  134.785  ?   ?   167.701   22.740      ?      ? 
1 1 1   20   12   16 o  161.680   22.953  482.075  131.166   0.0000   0.0000  482.075  131.166  ?   ?   161.680   22.953      ?      ? 
1 1 1   20   12   18 o   60.723   15.601   56.057   45.641   5.5883   75.217   85.468   57.420   53.281   22.706   68.165   21.400 -14.88330 31.20152 
1 1 1   20   12   20 o  115.247   18.645  264.006   77.457  347.566  107.450  173.609  111.759  136.390   22.290   94.104   29.894 42.28603 37.28921 
1 1 1   20   12   22 o   82.790   18.701  125.402   59.762  100.889   73.997  171.381  101.344   73.328   24.402   92.253   28.344 -18.92464 37.40146 
1 1 1   20   12   24 o   66.067   15.764   77.054   44.524   48.408   59.366  113.882   67.312   56.454   21.488   75.680   23.073 -19.22690 31.52898 
1 1 1   20   12   26 o   71.900   15.358   76.860   46.172   15.651   57.115  192.304   78.439   47.563   20.004   96.237   23.308 -48.67328 30.71504 
1 1 1   20   13    1 o  113.845   19.279  240.399   83.326  371.922  119.456  115.757  116.290  142.983   23.638   84.708   30.463 58.27515 38.55842 
1 1 1   20   13    3 o  203.530   15.024  753.686  100.459  739.030  177.365  760.608  121.896  201.150   24.948  205.910   16.749 -4.759064 30.04853 
1 1 1   20   13    5 o  290.728   16.423  1516.14  168.755   0.0000   0.0000  1516.14  168.755  ?   ?   290.728   16.423      ?      ? 
1 1 1   20   13    7 o   38.409   15.287   13.837   31.121   0.0000   0.0000   13.837   31.121  ?   ?    38.409   15.287      ?      ? 
1 1 1   20   13    9 o  294.200   23.769  1584.57  247.158   0.0000   0.0000  1584.57  247.158  ?   ?   294.200   23.769      ?      ? 
1 1 1   20   13   11 o  320.737   24.224  1890.96  274.613   0.0000   0.0000  1890.96  274.613  ?   ?   320.737   24.224      ?      ? 
1 1 1   20   13   13 o   75.734   17.340  104.565   52.787   89.099   84.193  114.583   67.758   73.269   25.966   78.199   22.989 -4.930222 34.68025 
1 1 1   20   13   15 f  120.208   18.429  281.230   75.543  262.402  114.571  295.711  100.480  115.817   28.243  124.599   23.682 -8.782242 36.85752 
1 1 1   20   13   17 o   65.725   15.341   74.466   40.535   92.615   65.687   63.305   51.513   71.133   22.953   60.316   20.362 10.81670 30.68253 
1 1 1   20   13   19 o   61.996   15.814   55.118   44.449   94.617   71.091   29.767   56.954   71.909   23.918   52.083   20.695 19.82543 31.62857 
1 1 1   20   13   21 o  103.842   17.572  215.154   62.974  215.914   97.922  214.618   82.235  103.266   26.649  104.418   22.912 -1.152054 35.14460 
1 1 1   20   13   23 o  101.692   17.458  214.015   62.423  182.297   91.960  241.119   85.008   93.600   26.564  109.784   22.659 -16.18460 34.91513 
1 1 1   20   13   25 o   50.613   14.034   28.597   40.132   64.028   50.988 -29.0885   65.059   58.645   20.248   42.580   19.439 16.06554 28.06846 
1 1 1   20   14    0 o  185.755   16.119  618.440  105.827   0.0000   0.0000  618.440  105.827  ?   ?   185.755   16.119      ?      ? 
1 1 1   20   14    2 o  156.311   22.031  443.558  121.718   0.0000   0.0000  443.558  121.718  ?   ?   156.311   22.031      ?      ? 
1 1 1   20   14    4 o   67.038   21.110   80.849   55.824   0.0000   0.0000   80.849   55.824  ?   ?    67.038   21.110      ?      ? 
1 1 1   20   14    6 o   93.656   23.663  166.506   78.358   0.0000   0.0000  166.506   78.358  ?   ?    93.656   23.663      ?      ? 
1 1 1   20   14    8 o  166.182   15.947  495.199   92.067  642.163  139.937  383.032  122.253  187.870   21.074  144.494   23.938 43.37523 31.89302 
1 1 1   20   14   10 o  239.382   17.305  1063.12  145.244  938.812  209.017  1179.20  201.977  225.004   26.283  253.761   22.519 -28.75699 34.61079 
1 1 1   20   14   12 o  135.265   16.436  333.432   72.552  369.590  126.794  315.830   88.466  138.706   26.834  131.824   18.987 6.881577 32.87179 
1 1 1   20   14   14 o   71.591   16.704   84.356   48.818  128.286   78.968   57.182   62.107   82.381   24.963   60.802   22.204 21.57909 33.40899 
1 1 1   20   14   16 o  163.624   20.176  503.069  110.492  457.372  137.922  584.946  184.616  155.927   25.026  171.321   31.655 -15.39467 40.35244 
1 1 1   20   14   18 o  126.550   21.165  358.524  100.896  479.468  126.654  148.463  166.916  159.819   22.422   93.281   35.904 66.53796 42.32993 
1 1 1   20   14   20 o   86.336   17.424  148.917   55.826  140.480   82.112  156.168   76.126   84.097   25.449   88.575   23.805 -4.478065 34.84729 
1 1 1   20   14   22 o   35.259   11.220 -13.2248   24.726 -16.8213   28.223  -1.3522   51.279   28.068   12.810   42.450   18.424 -14.38169 22.43975 
1 1 1   20   14   24 o   74.268   16.777  113.819   50.425  131.781   67.709   91.451   75.558   79.780   22.846   68.756   24.573 11.02343 33.55302 
1 1 1   20   15    1 f   99.898   23.628  189.350   82.120   0.0000   0.0000  189.350   82.120  ?   ?    99.898   23.628      ?      ? 
1 1 1   20   15    3 o   40.027   12.687   0.7142   23.319 -31.0505   76.555   3.9630   24.483   48.353   21.671   31.700   13.197 16.65342 25.37370 
1 1 1   20   15    5 o   54.830   15.140   28.377   33.142   60.093   81.956   22.177   36.237   66.417   25.255   43.243   16.705 23.17400 30.28012 
1 1 1   20   15    7 o  176.433   13.294  527.426   79.815  709.286  137.594  435.200   97.985  197.666   19.695  155.199   17.863 42.46689 26.58868 
1 1 1   20   15    9 o  123.831   18.261  300.731   73.504  258.206  129.893  320.763   89.151  114.735   31.205  132.927   18.976 -18.19202 36.52182 
1 1 1   20   15   11 o  133.117   15.700  332.007   68.752  326.565  114.704  335.059   85.890  130.356   25.809  135.878   17.884 -5.522797 31.40008 
1 1 1   20   15   13 o  127.590   14.606  291.205   64.111  334.495  105.970  266.214   80.518  134.457   22.299  120.722   18.871 13.73500 29.21193 
1 1 1   20   15   15 o  287.210   24.060  1550.00  244.234   0.0000   0.0000  1550.00  244.234  ?   ?   287.210   24.060      ?      ? 
1 1 1   20   15   17 o   50.938   14.310   28.392   38.520   22.102   53.182   35.333   55.868   48.889   19.800   52.987   20.666 -4.097851 28.62053 
1 1 1   20   15   19 o   83.959   16.485  140.474   50.897  124.769   72.863  155.439   71.126   79.467   23.956   88.452   22.652 -8.984520 32.96969 
1 1 1   20   15   21 o   39.267   11.741   4.9225   28.576   22.495   34.264 -35.2223   51.789   41.775   16.214   36.758   16.986 5.016335 23.48226 
1 1 1   20   15   23 o   76.670   15.578  115.429   45.488   77.299   60.044  166.790   69.688   63.449   21.968   89.891   22.091 -26.44160 31.15510 
1 1 1   20   16    0 o  138.273   20.832  372.653   98.786  411.426  128.357  316.320  154.716  149.719   24.256  126.828   33.874 22.89175 41.66314 
1 1 1   20   16    2 o   97.184   18.123  178.724   60.540  181.556  105.925  177.351   73.778   97.602   28.758   96.766   22.062 0.8359985 36.24535 
1 1 1   20   16    4 o   53.993   15.405   28.368   39.627   21.457   83.836   30.356   44.967   59.138   24.504   48.848   18.675 10.29052 30.80964 
1 1 1   20   16    6 o  199.990   15.528  741.425  103.430  703.676  176.053  761.321  127.813  194.808   25.569  205.172   17.625 -10.36412 31.05534 
1 1 1   20   16    8 o  107.513   16.904  204.635   61.745  311.355  102.800  144.408   77.227  128.059   23.581   86.966   24.225 41.09283 33.80728 
1 1 1   20   16   10 o  255.152   13.679  1162.83  119.018  1290.65  200.184  1092.95  148.020  264.826   21.387  245.479   17.060 19.34689 27.35792 
1 1 1   20   16   12 o   70.914   15.340   94.633   44.392   48.996   68.473  127.724   58.306   60.066   23.026   81.762   20.276 -21.69578 30.68066 
1 1 1   20   16   14 o  103.886   16.856  208.431   59.656  222.612   94.443  199.016   76.952  106.288   25.473  101.483   22.082 4.804680 33.71125 
1 1 1   20   16   16 o   42.858   17.771   11.301   44.140   0.0000   0.0000   11.301   44.140  ?   ?    42.858   17.771      ?      ? 
1 1 1   20   16   18 o   75.787   16.512  112.713   48.815   98.457   68.316  127.585   69.778   71.562   23.429   80.012   23.274 -8.449341 33.02473 
1 1 1   20   16   20 o   92.320   16.315  174.631   53.361  151.065   75.116  198.638   75.816   85.587   23.910   99.052   22.205 -13.46445 32.63024 
1 1 1   20   17    1 o  144.596   20.896  416.403  102.944  489.078  135.202  316.149  158.798  163.078   23.457  126.113   34.588 36.96490 41.79144 
1 1 1   20   17    3 f  112.979   22.236  253.042   89.414  265.135  109.108  228.314  156.023  117.096   26.925  108.861   35.396 8.235558 44.47297 
1 1 1   20   17    5 f  335.552   17.740  2085.45  209.763  1877.38  287.550  2322.11  306.671  317.367   25.635  353.737   24.529 -36.36945 35.47953 
1 1 1   20   17    7 o   65.750   13.795   62.647   47.807 -97.7601   79.339  154.091   59.903   41.241   19.658   90.259   19.358 -49.01833 27.58911 
1 1 1   20   17    9 o  201.669   14.652  762.374   99.845  699.134  163.138  800.250  126.252  193.528   23.850  209.810   17.025 -16.28242 29.30339 
1 1 1   20   17   11 o   28.812   9.0599  -8.7408   18.373 -35.5304   33.662   2.6263   21.927   28.039   13.197   29.585   12.416 -1.545998 18.11986 
1 1 1   20   17   13 o  135.346   15.565  351.103   71.238  331.585  109.814  365.286   93.607  130.139   24.779  140.553   18.843 -10.41350 31.12994 
1 1 1   20   17   15 o   49.829   13.327   33.732   33.219   11.174   49.486   52.234   44.817   44.783   18.713   54.874   18.981 -10.09147 26.65440 
1 1 1   20   17   17 o  141.086   15.873  398.624   74.988  334.056  112.815  449.733  100.371  127.695   25.882  154.477   18.383 -26.78228 31.74664 
1 1 1   20   17   19 o  100.339   17.282  210.062   60.963  239.031   87.425  182.645   85.052  107.659   23.624   93.019   25.231 14.64056 34.56448 
1 1 1   20   18    0 o  170.922   16.841  545.821   96.741  522.378  161.885  558.843  120.654  166.768   27.465  175.077   19.498 -8.308884 33.68213 
1 1 1   20   18    2 o  139.475   20.078  361.039   92.894  307.617  115.686  458.008  155.860  125.954   26.809  152.996   29.895 -27.04206 40.15509 
1 1 1   20   18    4 o   88.570   20.437  129.575   65.030  109.951   74.389  193.176  133.921   76.965   24.383  100.176   32.804 -23.21085 40.87337 
1 1 1   20   18    6 o  200.583   16.744  712.574  115.533  548.166  146.291  985.069  188.337  171.177   24.180  229.990   23.169 -58.81285 33.48831 
1 1 1   20   18    8 f  103.627   20.460  176.424   68.720  137.555   78.161  308.798  144.242   84.383   24.658  122.871   32.655 -38.48803 40.91904 
1 1 1   20   18   10 o  105.660   19.863  169.766   65.465  122.271   73.321  356.437  145.360   79.633   24.037  131.686   31.628 -52.05255 39.72526 
1 1 1   20   18   12 o   90.022   16.551  159.446   52.821  167.954   80.146  152.913   70.232   91.892   24.303   88.153   22.473 3.738525 33.10137 
1 1 1   20   18   14 o  206.523   13.876  804.938   98.600  808.461  158.208  802.701  126.081  205.334   21.800  207.712   17.174 -2.378647 27.75175 
1 1 1   20   18   18 o   43.165   12.255   18.981   27.905   11.147   35.442   31.757   45.261   38.563   15.952   47.767   18.609 -9.203930 24.51051 
1 1 1   20   19    1 o  175.452   15.367  567.163   92.229  579.232  151.029  559.985  116.468  175.954   24.285  174.949   18.835 1.005508 30.73332 
1 1 1   20   19    3 o  141.911   15.393  381.931   72.792  361.487  116.508  395.021   93.228  136.799   25.018  147.024   17.941 -10.22510 30.78618 
1 1 1   20   19    5 o  190.406   14.249  669.954   93.651  673.395  149.225  667.718  120.289  189.886   22.235  190.926   17.825 -1.040085 28.49779 
1 1 1   20   19    7 o   24.429   8.0812 -22.8741   17.112 -27.4230   26.949 -19.8009   22.150   25.301   11.877   23.558   10.962 1.743477 16.16246 
1 1 1   20   19    9 f   40.754   14.906 -17.0924   18.552 -15.5341   18.693 -119.4622  151.511   21.930   10.159   59.577   28.028 -37.64701 29.81242 
1 1 1   20   19   11 o  132.762   21.816  378.536   96.364  395.969  115.377  338.326  175.227  143.446   22.757  122.078   37.228 21.36768 43.63278 
1 1 1   20   19   13 o   98.573   21.768  219.063   79.844  237.366   88.936  143.018  181.278  108.063   23.918   89.083   36.377 18.98032 43.53533 
1 1 1   20   19   15 o  107.762   20.048  280.221   89.458  370.855  109.373   97.046  155.488  136.621   22.650   78.903   33.086 57.71772 40.09613 
1 1 1   20   20    0 o  176.632   14.446  579.064   87.366  575.102  141.678  581.495  110.978  175.088   22.894  178.176   17.622 -3.088074 28.89114 
1 1 1   20   20    2 o  166.178   13.109  500.939   75.706  552.982  120.587  467.082   97.262  172.725   19.753  159.632   17.239 13.09290 26.21719 
1 1 1   20   20    4 o  293.869   15.875  1683.73  154.048  1454.19  257.561  1811.59  192.219  273.932   26.602  313.805   17.331 -39.87271 31.74946 
1 1 1   20   20    6 o  113.587   14.393  245.175   55.650  249.090   86.455  242.405   72.719  112.836   22.468  114.337   17.994 -1.501076 28.78545 
1 1 1   20   20    8 o  118.036   15.051  268.382   61.046  274.994   91.969  263.174   81.620  117.907   22.894  118.165   19.543 -0.2581635 30.10109 
1 1 1   20   20   10 o   64.764   15.114   79.695   40.239   73.412   58.764   85.242   55.215   63.116   21.740   66.412   21.003 -3.295433 30.22857 
1 1 1   20   20   12 o  143.704   15.052  399.070   75.815  439.453  116.659  369.543   99.753  149.394   22.094  138.014   20.450 11.38071 30.10498 
1 1 1   20   21    1 o  127.591   12.059  292.457   53.342  386.552   82.598  225.137   69.865  145.018   16.115  110.165   17.943 34.85310 24.11724 
1 1 1   20   21    3 o   32.336   7.8370  -5.6202   7.4409   50.511   27.365 -10.1016   7.7323   51.777   14.420   12.894   6.1435 38.88295 15.67396 
1 1 1   20   21    5 o   74.390   12.505   93.938   30.857  153.477   56.487   68.614   36.839   88.937   18.569   59.843   16.754 29.09359 25.01003 
1 1 1   20   21    7 o   74.928   12.600   97.267   31.403  153.711   56.794   72.412   37.688   88.648   18.714   61.207   16.876 27.44130 25.19967 
1 1 1   20   21    9 o   39.159   10.509   18.758   19.934   33.460   31.855   9.2937   25.557   44.763   15.960   33.556   13.676 11.20623 21.01784 
1 1 1   20   21   11 o   39.558   10.607   22.453   19.606   21.775   34.004   22.791   23.997   41.152   16.103   37.964   13.811 3.188931 21.21439 
1 1 1   20   22    0 o   66.377   14.057   85.968   35.537   78.471   54.221   91.613   47.053   64.252   20.865   68.503   18.844 -4.250702 28.11484 
1 1 1   20   22    2 o  220.304   18.503  966.789  141.012  912.253  180.115  1053.15  226.654  214.868   23.717  225.741   28.408 -10.87299 37.00653 
1 1 1   20   22    4 o   70.515   15.247  100.232   42.209   77.249   65.025  116.967   55.487   64.555   22.826   76.475   20.220 -11.92042 30.49358 
1 1 1   20   22    6 o   65.937   21.834   85.152   59.270   0.0000   0.0000   85.152   59.270  ?   ?    65.937   21.834      ?      ? 
1 1 1   20   23    1 o  105.426   38.602  284.789  187.888   0.0000   0.0000  284.789  187.888  ?   ?   105.426   38.602      ?      ? 
1 1 1   21    0    1 o   24.777   10.836   7.7588   26.528   7.7588   26.528   7.7588   26.528   24.777   15.324   24.777   15.324 -0.000000 0.000000 
1 1 1   21    0    3 o  491.881   13.576  4324.67  332.624  4324.67  332.624  4324.67  332.624  491.881   19.199  491.881   19.199 -0.000000 0.000000 
1 1 1   21    0    5 o  283.733   11.691  1444.88  164.512  1444.88  164.512  1444.88  164.512  283.733   16.533  283.733   16.533 -0.000000 0.000000 
1 1 1   21    0    7 o  235.403   16.796  1020.34  193.014  1020.34  193.014  1020.34  193.014  235.403   23.753  235.403   23.753 -0.000000 0.000000 
1 1 1   21    0    9 o  424.476   13.066  3227.26  276.036  3227.26  276.036  3227.26  276.036  424.476   18.479  424.476   18.479 -0.000000 0.000000 
1 1 1   21    0   11 o  266.797   11.916  1281.56  157.451  1281.56  157.451  1281.56  157.451  266.797   16.851  266.797   16.851 -0.000000 0.000000 
1 1 1   21    0   13 o   83.138   16.172  147.998   58.113  147.998   58.113  147.998   58.113   83.138   22.870   83.138   22.870 -0.000000 0.000000 
1 1 1   21    0   15 o  108.037   14.118  228.033   68.578  228.033   68.578  228.033   68.578  108.037   19.966  108.037   19.966 -0.000000 0.000000 
1 1 1   21    0   17 o   29.183   12.989   7.3608   39.896   7.3608   39.896   7.3608   39.896   29.183   18.369   29.183   18.369 -0.000000 0.000000 
1 1 1   21    0   19 o  119.665   14.380  276.971   78.553  276.971   78.553  276.971   78.553  119.665   20.336  119.665   20.336 -0.000000 0.000000 
1 1 1   21    0   21 o  135.121   14.256  348.062   89.969  348.062   89.969  348.062   89.969  135.121   20.160  135.121   20.160 -0.000000 0.000000 
1 1 1   21    0   23 o   23.716   11.459 -25.8767   42.592 -25.8767   42.592 -25.8767   42.592   23.716   16.205   23.716   16.205 -0.000000 0.000000 
1 1 1   21    0   25 o   34.606   15.643   6.2724   60.515   6.2724   60.515   6.2724   60.515   34.606   22.122   34.606   22.122 -0.000000 0.000000 
1 1 1   21    0   27 o   62.105   20.654  105.766   72.124  105.766   72.124  105.766   72.124   62.105   29.209   62.105   29.209 -0.000000 0.000000 
1 1 1   21    0   29 o  131.008   24.315  389.331  137.571  389.331  137.571  389.331  137.571  131.008   34.386  131.008   34.386 -0.000000 0.000000 
1 1 1   21    1    0 o  179.708   10.922  575.850   69.297  545.825   98.062  605.800   97.939  174.986   15.855  184.430   15.025 -9.444290 21.84334 
1 1 1   21    1    2 o  161.794   10.952  466.671   62.625  471.433   88.652  461.929   88.478  162.624   15.424  160.965   15.552 1.659164 21.90312 
1 1 1   21    1    4 o  493.632   13.553  4369.52  236.341  4215.67  334.244  4523.36  334.229  484.814   19.506  502.450   18.821 -17.63599 27.10529 
1 1 1   21    1    6 o  272.287   14.216  1338.98  128.387  1313.22  222.862  1351.77  157.070  269.510   23.396  275.063   16.156 -5.552979 28.43225 
1 1 1   21    1    8 o  210.625   16.136  803.813  119.787  870.984  169.303  736.482  169.505  219.661   21.807  201.588   23.790 18.07335 32.27243 
1 1 1   21    1   10 o  106.772   11.921  204.026   44.942  217.520   64.542  191.326   62.615  110.221   16.568  103.324   17.146 6.896957 23.84262 
1 1 1   21    1   12 o  240.052   11.607  1032.31   98.478  1042.75  139.489  1021.95  139.049  241.273   16.357  238.831   16.472 2.441132 23.21422 
1 1 1   21    1   14 o  133.184   11.665  318.105   54.897  322.008   77.160  314.104   78.120  134.036   16.287  132.333   16.702 1.703018 23.32905 
1 1 1   21    1   16 o   44.587   12.218   22.254   27.694   31.495   39.387   13.218   38.947   47.439   17.620   41.734   16.930 5.704609 24.43540 
1 1 1   21    1   18 o  194.340   12.149  680.350   83.427  678.718  119.327  681.910  116.684  194.065   17.397  194.614   16.964 -0.5485840 24.29838 
1 1 1   21    1   20 o  110.972   14.671  231.265   55.301  342.865   80.922  133.479   75.749  137.895   16.604   84.049   24.193 53.84616 29.34203 
1 1 1   21    1   22 o  101.336   15.193  200.790   56.172   81.121   80.040  316.931   78.851   70.388   25.277  132.284   16.865 -61.89620 30.38698 
1 1 1   21    1   24 o   74.763   15.752  100.471   51.917   9.9923   78.041  172.301   69.535   54.776   23.228   94.751   21.284 -39.97513 31.50464 
1 1 1   21    1   26 o   92.402   17.702  174.177   58.907  192.891   73.625  140.884   98.199   99.619   21.538   85.186   28.100 14.43292 35.40446 
1 1 1   21    1   28 o  107.241   17.687  217.617   64.718  159.065   80.602  323.862  108.575   88.253   24.808  126.229   25.218 -37.97577 35.37489 
1 1 1   21    1   30 o   74.998   17.116  117.046   51.013  126.225   62.535   98.789   88.196   78.439   21.781   71.557   26.409 6.881767 34.23237 
1 1 1   21    2    1 o  230.826   11.155  951.073   90.853  889.073  128.556  1012.94  128.415  223.233   16.293  238.418   15.239 -15.18465 22.30928 
1 1 1   21    2    3 o  198.633   11.116  704.130   77.990  675.056  110.248  733.253  110.342  194.489   16.038  202.777   15.396 -8.287933 22.23177 
1 1 1   21    2    5 o  127.540   14.458  304.169   59.219  318.915   73.012  275.814  101.241  133.682   15.453  121.398   24.441 12.28354 28.91614 
1 1 1   21    2    7 o  188.546   13.669  625.490   86.807  597.112  106.521  681.596  149.780  182.725   16.494  194.367   21.803 -11.64166 27.33869 
1 1 1   21    2    9 o  158.896   15.863  451.460   89.085   0.0000   0.0000  451.460   89.085  ?   ?   158.896   15.863      ?      ? 
1 1 1   21    2   11 o  256.343   11.741  1177.48  106.343  1147.94  150.647  1206.82  150.138  253.088   16.841  259.599   16.363 -6.511215 23.48136 
1 1 1   21    2   13 o  273.042   11.782  1337.34  113.643  1304.69  161.841  1369.10  159.613  269.677   16.980  276.407   16.338 -6.730194 23.56340 
1 1 1   21    2   15 o  351.826   12.235  2223.92  152.115  2282.68  215.959  2166.05  214.296  356.493   17.140  347.159   17.465 9.333282 24.47014 
1 1 1   21    2   17 o  180.568   11.614  585.642   74.088  611.604  105.956  560.806  103.634  184.514   16.247  176.622   16.601 7.891937 23.22852 
1 1 1   21    2   19 o   66.693   14.735   80.567   38.669   72.173   54.881   88.843   54.494   64.026   21.001   69.361   20.674 -5.334389 29.46999 
1 1 1   21    2   21 o  155.264   15.122  443.097   79.789  446.701  100.340  436.898  131.586  156.916   18.092  153.612   24.236 3.303482 30.24421 
1 1 1   21    2   23 o   80.798   15.176  121.452   48.681  197.139   68.849   45.782   68.842  102.116   19.791   59.480   23.012 42.63526 30.35152 
1 1 1   21    2   25 o   88.311   15.287  150.061   49.602   85.048   68.869  220.138   71.501   68.950   23.542  107.671   19.507 -38.72098 30.57355 
1 1 1   21    2   27 o  108.510   17.288  244.094   66.628  162.447  101.415  306.095   88.376   89.435   28.484  127.584   19.598 -38.14911 34.57510 
1 1 1   21    2   29 o  106.118   15.862  231.786   57.879  262.334   76.042  189.713   89.241  117.412   18.324   94.824   25.897 22.58817 31.72395 
1 1 1   21    3    0 o  126.234   10.855  284.160   48.353  304.301   68.679  264.364   68.089  130.705   14.867  121.763   15.821 8.941910 21.71009 
1 1 1   21    3    2 o  189.892   11.038  643.089   74.079  653.898  105.191  632.454  104.340  191.483   15.543  188.302   15.678 3.180740 22.07628 
1 1 1   21    3    4 o  248.214   11.375  1100.40   99.769  1078.21  141.395  1122.40  140.798  245.690   16.283  250.738   15.887 -5.048233 22.74944 
1 1 1   21    3    6 o   58.869   14.803   53.208   37.588   58.512   62.554   50.211   47.024   61.928   22.334   55.810   19.434 6.118206 29.60595 
1 1 1   21    3    8 o  110.790   14.499  224.234   52.209  222.464   63.736  227.843   91.025  111.528   16.169  110.052   24.071 1.476028 28.99763 
1 1 1   21    3   10 o  165.596   11.312  490.960   66.159  480.637   94.725  500.792   92.443  163.848   16.357  167.343   15.630 -3.494064 22.62372 
1 1 1   21    3   12 o  234.799   11.607  989.758   96.093  918.585  136.598  1059.49  135.206  226.293   17.079  243.305   15.723 -17.01189 23.21374 
1 1 1   21    3   14 o  231.692   11.738  967.239   95.568  856.001  135.976  1075.83  134.346  218.249   17.627  245.135   15.506 -26.88541 23.47689 
1 1 1   21    3   16 o   48.854   13.536   22.913   35.955   48.472   44.327 -26.2511   61.478   54.430   18.874   43.277   19.407 11.15288 27.07107 
1 1 1   21    3   18 o   65.495   15.705   74.042   42.100   80.762   51.082   59.813   74.336   66.392   20.068   64.598   24.164 1.793716 31.41090 
1 1 1   21    3   20 o   52.894   14.364   24.569   35.088   8.1895   41.341   66.767   66.355   41.338   17.175   64.449   23.029 -23.11089 28.72803 
1 1 1   21    3   22 o   90.591   14.468  143.480   48.939  255.604   75.569   62.487   64.227  118.536   18.037   62.646   22.625 55.89001 28.93505 
1 1 1   21    3   24 o  129.251   16.768  326.381   72.200  354.029   92.883  284.168  114.768  138.798   18.934  119.703   27.679 19.09483 33.53513 
1 1 1   21    3   26 o   49.361   14.412   14.574   40.620  -0.7202   53.171   36.011   62.949   43.754   18.876   54.969   21.784 -11.21422 28.82423 
1 1 1   21    3   28 o   73.796   16.778  105.364   48.845   95.066   62.790  121.146   77.732   69.844   22.431   77.747   24.956 -7.902542 33.55500 
1 1 1   21    3   30 f   71.740   16.448  104.604   50.631  143.029   67.754   56.012   76.192   82.951   22.528   60.529   23.973 22.42276 32.89679 
1 1 1   21    4    1 o  287.143   11.429  1471.53  115.992  1480.93  164.416  1462.22  163.661  288.058   16.149  286.227   16.178 1.831085 22.85836 
1 1 1   21    4    3 o   29.146   9.1338  -2.0268   15.772 -49.8339   41.359   6.1087   17.061   30.369   14.394   27.923   11.248 2.446213 18.26751 
1 1 1   21    4    5 o  207.191   14.783  809.487   98.482  678.057  172.620  872.909  119.912  193.248   25.273  221.135   15.342 -27.88658 29.56528 
1 1 1   21    4    7 o   82.168   12.175  125.207   34.183  127.611   49.851  123.074   46.962   82.872   17.565   81.464   16.865 1.408142 24.35090 
1 1 1   21    4    9 o   78.909   13.218  106.485   36.258   70.192   45.570  169.102   59.857   62.322   18.981   95.497   18.401 -33.17504 26.43625 
1 1 1   21    4   11 o  120.614   12.043  260.623   51.309  268.659   74.145  253.239   71.076  122.385   17.141  118.843   16.921 3.541870 24.08597 
1 1 1   21    4   13 o  156.558   12.069  446.623   65.571  358.362   94.232  529.476   91.300  141.059   18.901  172.057   15.013 -30.99805 24.13796 
1 1 1   21    4   15 o   67.883   13.636   84.414   34.380   99.816   50.477   71.086   46.956   73.062   19.270   62.703   19.298 10.35866 27.27186 
1 1 1   21    4   17 o  117.823   14.696  263.801   57.102  228.303   92.274  285.831   72.692  109.548   24.451  126.097   16.310 -16.54913 29.39198 
1 1 1   21    4   19 o   75.321   17.806  105.610   53.755   24.522  118.838  126.470   60.273   68.866   28.903   81.777   20.804 -12.91119 35.61164 
1 1 1   21    4   21 o  254.951   14.476  1203.39  123.555  1143.58  208.257  1235.87  153.485  248.506   23.711  261.395   16.613 -12.88983 28.95140 
1 1 1   21    4   23 o  178.272   17.642  616.100   96.204  634.231  114.401  572.316  177.781  186.578   17.348  169.966   30.725 16.61266 35.28408 
1 1 1   21    4   25 o   91.986   16.337  170.504   54.500  215.077   73.204  115.077   81.632  105.955   20.286   78.017   25.614 27.93844 32.67467 
1 1 1   21    4   27 o   46.929   13.712   13.424   38.556   38.759   48.487 -30.1459   63.585   51.351   19.450   42.507   19.333 8.843403 27.42343 
1 1 1   21    4   29 o   55.578   14.936   46.036   43.163   75.698   54.452  -4.1092   70.800   62.776   20.935   48.381   21.308 14.39546 29.87152 
1 1 1   21    5    0 o  111.612   10.599  222.339   41.741  216.182   60.298  228.005   57.841  110.093   15.496  113.131   14.465 -3.037384 21.19844 
1 1 1   21    5    2 o  180.627   11.466  587.723   72.325  487.041  102.699  686.793  101.873  164.975   17.613  196.279   14.685 -31.30399 22.93137 
1 1 1   21    5    4 o  180.585   14.652  604.457   85.268  542.173  152.044  633.034  102.987  172.871   24.884  188.298   15.474 -15.42699 29.30345 
1 1 1   21    5    6 o  214.402   14.427  860.678  101.156  926.830  124.706  733.413  172.969  227.772   15.490  201.031   24.344 26.74196 28.85431 
1 1 1   21    5    8 o  117.692   11.062  248.470   45.848  234.477   66.451  261.183   63.337  114.449   16.427  120.935   14.818 -6.486023 22.12309 
1 1 1   21    5   10 o  177.085   15.912  568.672   99.535  585.815  140.096  551.197  141.442  179.873   22.036  174.298   22.960 5.574356 31.82368 
1 1 1   21    5   12 o  294.795   11.751  1558.03  122.370  1630.25  174.355  1487.92  171.787  301.593   16.357  287.996   16.876 13.59641 23.50225 
1 1 1   21    5   14 o  197.766   11.377  700.723   79.495  721.653  114.365  681.158  110.575  200.613   16.129  194.917   16.050 5.696091 22.75453 
1 1 1   21    5   16 o   75.727   14.386  107.496   39.460  119.302   55.840   95.718   55.771   79.643   19.895   71.812   20.784 7.830070 28.77140 
1 1 1   21    5   18 o   41.817   11.858   8.7931   26.843  -7.5679   34.279   34.727   43.158   34.045   14.914   49.589   18.439 -15.54425 23.71614 
1 1 1   21    5   20 o  145.811   14.355  394.766   70.670  364.387  116.043  412.675   89.098  140.510   23.366  151.113   16.682 -10.60318 28.71018 
1 1 1   21    5   22 o  108.421   18.175  245.251   69.049  150.585  119.807  292.336   84.493   90.393   31.047  126.449   18.905 -36.05584 36.34991 
1 1 1   21    5   24 o  131.562   13.987  320.820   64.685  325.295   87.510  315.429   96.043  132.911   18.628  130.212   20.869 2.698456 27.97341 
1 1 1   21    5   26 o   70.581   16.709   93.280   47.822   96.472   59.038   87.189   81.552   70.738   21.617   70.424   25.485 0.3143845 33.41845 
1 1 1   21    5   28 o   69.026   16.502   94.022   47.529  107.462   57.191   64.018   85.451   73.338   20.996   64.714   25.465 8.624420 33.00409 
1 1 1   21    6    1 o  114.363   11.368  234.533   45.756  214.411   65.607  253.590   63.846  109.500   16.952  119.226   15.151 -9.725861 22.73600 
1 1 1   21    6    3 o   74.678   12.367  104.784   32.005   93.428   48.031  113.854   42.923   70.919   18.842   78.437   16.024 -7.517891 24.73433 
1 1 1   21    6    5 o  112.413   14.136  235.521   51.957  245.287   64.710  217.803   87.162  117.162   15.627  107.665   23.560 9.496674 28.27108 
1 1 1   21    6    7 o   56.467   11.834   57.345   26.103   37.812   37.457   75.789   36.397   49.070   17.327   63.864   16.123 -14.79395 23.66760 
1 1 1   21    6    9 o  156.186   11.370  437.760   62.354  377.148   87.419  500.536   88.966  145.027   17.054  167.344   15.042 -22.31657 22.73985 
1 1 1   21    6   11 o   93.878   14.954  161.696   47.462  184.292   76.739  147.698   60.400   98.928   22.460   88.829   19.749 10.09857 29.90835 
1 1 1   21    6   13 o  109.445   12.646  218.292   47.818  235.591   68.493  201.842   66.788  114.550   16.917  104.339   18.802 10.21143 25.29248 
1 1 1   21    6   15 o  184.022   13.939  621.345   86.167  584.102  143.985  642.125  107.552  178.942   22.766  189.102   16.092 -10.16026 27.87891 
1 1 1   21    6   17 o   54.025   12.322   41.773   32.563   90.549   42.913 -24.4350   49.996   69.523   17.482   38.527   17.369 30.99532 24.64363 
1 1 1   21    6   19 o   93.096   14.747  169.630   48.454  111.207   74.326  212.811   63.899   77.624   24.344  108.569   16.652 -30.94589 29.49446 
1 1 1   21    6   21 o   51.336   13.859   24.199   34.805   2.1744   43.279   64.522   58.561   40.625   17.266   62.048   21.683 -21.42308 27.71776 
1 1 1   21    6   23 o   96.717   15.458  182.354   51.270  194.929   67.775  165.529   78.393  101.291   19.640   92.143   23.877 9.147942 30.91634 
1 1 1   21    6   25 o   78.097   15.458  117.838   43.611  113.751   55.851  124.222   69.806   76.542   20.309   79.651   23.311 -3.109505 30.91691 
1 1 1   21    6   27 f   80.177   15.987  118.323   44.532   97.388   53.338  166.496   80.910   70.335   20.317   90.019   24.689 -19.68403 31.97365 
1 1 1   21    6   29 o   77.451   18.705   74.118   42.236   54.941   44.667  236.041  129.796   54.712   18.948  100.190   32.258 -45.47891 37.41070 
1 1 1   21    7    0 f  314.898   11.878  1773.33  132.196  1790.02  187.431  1756.82  186.480  316.379   16.761  313.416   16.834 2.963409 23.75574 
1 1 1   21    7    2 o  299.445   11.920  1608.41  125.734  1461.92  178.215  1753.58  177.417  285.659   17.651  313.232   16.025 -27.57343 23.84074 
1 1 1   21    7    4 o   38.209   11.437  -4.3079   23.927   22.276   46.956 -13.6312   27.808   47.500   18.818   28.917   13.003 18.58259 22.87327 
1 1 1   21    7    6 o  133.917   11.463  327.081   52.810  243.803   75.141  408.367   74.236  116.524   18.245  151.311   13.881 -34.78725 22.92514 
1 1 1   21    7    8 o  114.116   14.210  249.452   52.292  206.781   87.685  273.005   65.144  104.632   24.193  123.598   14.912 -18.96590 28.42004 
1 1 1   21    7   10 o  167.286   14.845  511.524   83.753  525.579  104.824  486.712  139.274  171.104   17.333  163.468   24.105 7.635223 29.69038 
1 1 1   21    7   12 o  179.055   14.072  617.231   81.698  466.744  136.073  702.055  102.160  159.963   24.068  198.148   14.587 -38.18507 28.14317 
1 1 1   21    7   14 o   96.200   12.828  169.854   42.473  136.352   58.745  206.549   61.480   85.157   19.879  107.243   16.220 -22.08585 25.65663 
1 1 1   21    7   16 o  350.512   12.311  2221.88  151.618  1939.62  213.471  2509.22  215.382  327.555   18.439  373.469   16.317 -45.91412 24.62170 
1 1 1   21    7   18 o   31.004   9.7255 -30.9496   15.725 -40.7494   17.032   25.635   40.927   15.998   7.9345   46.009   17.759 -30.01150 19.45101 
1 1 1   21    7   20 o  121.003   12.040  264.956   51.439  249.240   71.129  282.186   74.477  117.223   17.168  124.783   16.887 -7.559433 24.08096 
1 1 1   21    7   22 o   65.812   15.505   75.778   41.310   69.142   52.427   86.646   67.089   62.201   20.533   69.422   23.238 -7.220623 31.00950 
1 1 1   21    7   24 o   42.982   12.968  -2.6283   28.646 -11.4983   32.109   31.970   63.414   31.695   14.132   54.269   21.747 -22.57489 25.93509 
1 1 1   21    7   26 o   60.658   24.078   49.211   77.021   49.211   77.021   0.0000   0.0000   60.658   24.078  ?   ?       ?      ? 
1 1 1   21    7   28 o  180.593   11.897  599.647   74.838  499.171   96.925  747.988  117.770  162.348   16.891  198.838   16.758 -36.48962 23.79369 
1 1 1   21    8    1 o   25.755   7.5110   0.8073   11.712   10.797   15.976 -10.7992   17.221   29.397   11.157   22.113   10.059 7.283894 15.02199 
1 1 1   21    8    3 o  298.637   15.614  1682.36  150.661  1425.08  262.582  1808.63  183.953  279.360   26.594  317.913   16.371 -38.55228 31.22891 
1 1 1   21    8    5 o  195.919   11.410  687.021   78.985  707.672  111.960  666.559  111.445  198.882   15.928  192.956   16.341 5.925751 22.81929 
1 1 1   21    8    7 o  263.393   11.844  1251.71  109.104  1046.24  154.265  1457.34  154.329  241.315   18.087  285.472   15.295 -44.15710 23.68724 
1 1 1   21    8    9 o  204.062   11.476  747.766   82.518  683.335  116.944  811.660  116.455  195.160   16.954  212.964   15.472 -17.80409 22.95209 
1 1 1   21    8   11 o  215.471   16.075  844.178  122.413  853.358  172.593  834.885  173.649  216.703   22.534  214.240   22.933 2.463364 32.15090 
1 1 1   21    8   13 o  139.884   11.850  351.899   58.568  343.167   83.130  360.507   82.529  138.121   17.028  141.646   16.485 -3.524750 23.70058 
1 1 1   21    8   15 o  240.835   11.591  1044.25   98.503  972.250  138.852  1117.19  139.762  232.336   16.909  249.335   15.859 -16.99904 23.18249 
1 1 1   21    8   17 o  264.011   11.879  1257.78  110.761  1193.09  155.552  1324.30  157.751  257.020   17.123  271.002   16.469 -13.98251 23.75823 
1 1 1   21    8   19 o  138.309   14.603  294.089   62.472  242.320   70.617  480.464  133.989  115.595   17.284  161.024   23.543 -45.42849 29.20640 
1 1 1   21    8   21 o   90.823   16.913  159.422   55.525  130.621   77.468  189.849   79.624   82.584   24.658   99.063   23.156 -16.47945 33.82621 
1 1 1   21    8   23 o  120.624   19.245  281.935   77.537  255.565   96.426  330.182  130.431  113.881   24.670  127.367   29.546 -13.48572 38.49094 
1 1 1   21    8   25 o  100.297   15.755  198.686   56.830  122.492   79.267  279.271   81.519   78.712   25.195  121.882   18.923 -43.16971 31.50968 
1 1 1   21    8   27 o   48.034   21.848 -29.5984   81.228   0.0000   0.0000 -29.5984   81.228  ?   ?    48.034   21.848      ?      ? 
1 1 1   21    9    0 o  179.425   15.924  575.675  100.985   0.0000   0.0000  575.675  100.985  ?   ?   179.425   15.924      ?      ? 
1 1 1   21    9    2 o  139.396   13.778  344.474   63.292  364.142  113.294  335.552   76.310  141.814   22.603  136.979   15.762 4.834366 27.55607 
1 1 1   21    9    4 o  112.821   13.404  207.794   49.457  314.238   90.518  162.493   59.051  132.118   19.384   93.524   18.519 38.59386 26.80893 
1 1 1   21    9    6 o  268.410   16.415  1290.84  155.729   0.0000   0.0000  1290.84  155.729  ?   ?   268.410   16.415      ?      ? 
1 1 1   21    9    8 o   61.600   14.366   64.674   34.129   63.988   63.445   64.954   40.486   63.459   22.535   59.741   17.823 3.718281 28.73111 
1 1 1   21    9   10 o  390.975   15.802  2762.79  204.768  2818.79  359.128  2735.81  249.256  392.057   25.917  389.893   18.088 2.163696 31.60434 
1 1 1   21    9   12 o  284.766   16.605  1457.56  167.132   0.0000   0.0000  1457.56  167.132  ?   ?   284.766   16.605      ?      ? 
1 1 1   21    9   14 o  107.624   17.389  256.274   64.760  100.718  120.259  319.808   76.856   81.912   30.717  133.336   16.308 -51.42423 34.77764 
1 1 1   21    9   16 o  247.789   16.122  1165.85  128.176  1027.00  228.155  1229.88  154.937  234.511   27.526  261.067   16.791 -26.55650 32.24343 
1 1 1   21    9   18 o  171.085   17.518  531.047  105.930   0.0000   0.0000  531.047  105.930  ?   ?   171.085   17.518      ?      ? 
1 1 1   21    9   20 o  134.771   19.989  334.195   95.215   0.0000   0.0000  334.195   95.215  ?   ?   134.771   19.989      ?      ? 
1 1 1   21    9   22 o   46.608   20.852 -23.1164   70.535   0.0000   0.0000 -23.1164   70.535  ?   ?    46.608   20.852      ?      ? 
1 1 1   21    9   24 o   31.053   15.193 -101.1855   55.723   0.0000   0.0000 -101.1855   55.723  ?   ?    31.053   15.193      ?      ? 
1 1 1   21    9   26 o   74.047   27.448  103.440   95.484   0.0000   0.0000  103.440   95.484  ?   ?    74.047   27.448      ?      ? 
1 1 1   21   10    1 o  298.883   14.839  1632.14  145.688  1559.13  255.548  1667.30  177.328  292.642   24.707  305.124   16.443 -12.48276 29.67816 
1 1 1   21   10    3 o   83.062   27.386  122.178   93.278  122.178   93.278   0.0000   0.0000   83.062   27.386  ?   ?       ?      ? 
1 1 1   21   10    5 o  160.552   16.809  502.185   81.153  416.412  149.695  537.885   96.575  147.768   29.692  173.336   15.764 -25.56737 33.61736 
1 1 1   21   10    7 o  143.764   17.659  446.049   74.868  256.948  135.669  528.853   89.775  115.552   32.081  171.976   14.770 -56.42424 35.31718 
1 1 1   21   10    9 o  330.938   15.105  2029.79  162.815  1867.11  286.712  2107.22  197.802  319.178   25.415  342.697   16.331 -23.51831 30.20951 
1 1 1   21   10   11 o  335.694   18.642  2095.72  218.762  1785.03  313.296  2391.33  305.599  309.966   28.597  361.423   23.923 -51.45721 37.28410 
1 1 1   21   10   13 o  183.353   16.771  605.468  108.686   0.0000   0.0000  605.468  108.686  ?   ?   183.353   16.771      ?      ? 
1 1 1   21   10   15 o  196.932   16.313  699.110  113.545   0.0000   0.0000  699.110  113.545  ?   ?   196.932   16.313      ?      ? 
1 1 1   21   10   17 o   99.069   25.701  190.057   90.764   0.0000   0.0000  190.057   90.764  ?   ?    99.069   25.701      ?      ? 
1 1 1   21   10   19 o   71.277   27.126   74.676   94.599   0.0000   0.0000   74.676   94.599  ?   ?    71.277   27.126      ?      ? 
1 1 1   21   10   21 o  117.457   29.805  280.779  123.935   0.0000   0.0000  280.779  123.935  ?   ?   117.457   29.805      ?      ? 
1 1 1   21   10   23 o  114.475   27.075  268.273  107.830  268.273  107.830   0.0000   0.0000  114.475   27.075  ?   ?       ?      ? 
1 1 1   21   10   25 o   73.667   18.401  100.252   58.625   79.592   74.638  133.526   94.720   66.493   24.332   80.840   27.609 -14.34740 36.80114 
1 1 1   21   11    0 o   98.022   15.092  139.990   43.685  271.280   98.106  107.521   48.789  120.181   23.937   75.863   18.388 44.31825 30.18418 
1 1 1   21   11    2 o  204.012   17.509  763.053  124.950  638.089  176.068  889.844  177.350  186.578   26.699  221.446   22.659 -34.86781 35.01848 
1 1 1   21   11    4 f  309.624   16.355  1842.50  161.725  1484.96  282.582  2016.65  197.217  283.915   28.160  335.333   16.640 -51.41827 32.70903 
1 1 1   21   11    6 o  307.749   17.657  1734.59  191.193  1541.70  268.937  1931.70  271.862  289.878   26.249  325.620   23.622 -35.74118 35.31314 
1 1 1   21   11    8 o  225.093   25.250  929.596  200.880   0.0000   0.0000  929.596  200.880  ?   ?   225.093   25.250      ?      ? 
1 1 1   21   11   10 f   79.444   21.487  118.682   61.787   0.0000   0.0000  118.682   61.787  ?   ?    79.444   21.487      ?      ? 
1 1 1   21   11   12 o  107.146   24.617  219.217   91.265   0.0000   0.0000  219.217   91.265  ?   ?   107.146   24.617      ?      ? 
1 1 1   21   11   14 o   85.465   24.487  138.542   77.768   0.0000   0.0000  138.542   77.768  ?   ?    85.465   24.487      ?      ? 
1 1 1   21   11   16 o  187.937   23.312  654.074  154.852   0.0000   0.0000  654.074  154.852  ?   ?   187.937   23.312      ?      ? 
1 1 1   21   11   18 o  156.262   17.534  457.803   96.542  473.085  143.088  445.034  130.799  158.355   25.565  154.167   24.004 4.188095 35.06849 
1 1 1   21   11   20 o   85.852   17.438  144.564   56.713  111.460   81.922  175.029   78.590   77.231   25.675   94.473   23.604 -17.24190 34.87607 
1 1 1   21   11   22 o  186.531   17.241  735.104   99.074  478.759  157.199  904.021  127.607  151.684   30.381  221.378   16.309 -69.69501 34.48168 
1 1 1   21   11   24 o   93.764   17.202  180.261   58.586  134.337   80.953  230.765   84.894   80.937   25.410  106.590   23.193 -25.65218 34.40354 
1 1 1   21   12    1 o  476.482   19.831  4187.11  333.235  3883.85  471.797  4489.01  470.736  458.492   29.114  494.471   26.935 -35.97885 39.66255 
1 1 1   21   12    3 o  140.028   17.681  352.474   87.505   0.0000   0.0000  352.474   87.505  ?   ?   140.028   17.681      ?      ? 
1 1 1   21   12    5 o  298.466   16.871  1600.18  177.971   0.0000   0.0000  1600.18  177.971  ?   ?   298.466   16.871      ?      ? 
1 1 1   21   12    7 o  266.774   23.318  1300.13  219.860   0.0000   0.0000  1300.13  219.860  ?   ?   266.774   23.318      ?      ? 
1 1 1   21   12    9 o  271.927   23.475  1354.29  225.621   0.0000   0.0000  1354.29  225.621  ?   ?   271.927   23.475      ?      ? 
1 1 1   21   12   11 f  183.125   22.719  614.419  147.050   0.0000   0.0000  614.419  147.050  ?   ?   183.125   22.719      ?      ? 
1 1 1   21   12   13 o  104.075   24.746  208.185   89.693   0.0000   0.0000  208.185   89.693  ?   ?   104.075   24.746      ?      ? 
1 1 1   21   12   15 o  150.550   14.353  358.451   70.856  605.013  133.451  261.655   83.615  181.515   20.801  119.585   19.783 61.93027 28.70633 
1 1 1   21   12   17 o   64.570   16.049   61.298   43.292  103.082   77.016   41.995   52.345   75.083   24.891   54.057   20.266 21.02644 32.09804 
1 1 1   21   12   19 o   98.192   17.535  182.293   60.319  242.148   96.485  143.890   77.284  110.673   25.227   85.712   24.361 24.96047 35.06957 
1 1 1   21   12   21 o  105.137   17.626  214.029   64.939  301.713  101.186  152.621   84.678  123.215   24.098   87.059   25.730 36.15552 35.25242 
1 1 1   21   12   23 o   50.999   14.812   24.382   42.989   34.900   61.012   14.011   60.582   53.306   21.341   48.691   20.547 4.615429 29.62456 
1 1 1   21   13    0 o  430.328   26.265  3398.43  399.483   0.0000   0.0000  3398.43  399.483  ?   ?   430.328   26.265      ?      ? 
1 1 1   21   13    2 o  128.752   23.431  310.801  102.698   0.0000   0.0000  310.801  102.698  ?   ?   128.752   23.431      ?      ? 
1 1 1   21   13    4 o  203.191   22.516  752.378  161.700   0.0000   0.0000  752.378  161.700  ?   ?   203.191   22.516      ?      ? 
1 1 1   21   13    6 o  221.813   16.645  898.316  130.121  929.308  192.594  872.288  176.497  225.104   24.207  218.522   22.852 6.581924 33.28941 
1 1 1   21   13    8 o  291.515   24.984  1566.06  257.416  1566.06  257.416   0.0000   0.0000  291.515   24.984  ?   ?       ?      ? 
1 1 1   21   13   10 o  330.422   14.709  1957.06  162.852  2100.16  282.779  1886.04  199.202  337.781   23.686  323.063   17.446 14.71811 29.41722 
1 1 1   21   13   12 o   82.224   16.675  133.180   48.429   94.738   96.493  146.123   55.992   76.327   27.706   88.121   18.563 -11.79366 33.35028 
1 1 1   21   13   14 o  157.016   22.997  457.285  127.626   0.0000   0.0000  457.285  127.626  ?   ?   157.016   22.997      ?      ? 
1 1 1   21   13   16 o  124.535   16.764  313.902   67.351  241.163  113.778  353.140   83.565  109.889   28.906  139.180   16.987 -29.29099 33.52817 
1 1 1   21   13   18 o   89.645   18.527  157.335   64.575  105.194   91.094  210.005   91.555   76.497   27.020  102.792   25.357 -26.29495 37.05484 
1 1 1   21   13   20 f   55.778   12.002   14.935   35.494 -71.6989   47.069  129.139   54.042   30.075   14.541   81.480   19.098 -51.40483 24.00400 
1 1 1   21   13   22 o   70.086   14.396   84.765   44.107   10.547   60.444  169.299   64.509   47.921   20.387   92.250   20.333 -44.32871 28.79276 
1 1 1   21   14    1 o  145.956   28.234  406.747  140.384  406.747  140.384   0.0000   0.0000  145.956   28.234  ?   ?       ?      ? 
1 1 1   21   14    3 o  222.727   15.839  895.817  123.785  1061.23  184.755  761.082  166.745  241.423   21.652  204.030   23.123 37.39246 31.67752 
1 1 1   21   14    5 o  112.599   16.475  226.505   60.363  285.517  106.786  198.795   73.175  122.371   25.516  102.826   20.848 19.54488 32.95020 
1 1 1   21   14    7 o  163.954   12.872  452.564   71.663  620.184  124.273  369.054   87.717  184.941   19.012  142.967   17.359 41.97365 25.74475 
1 1 1   21   14    9 o  241.704   18.302  1077.38  155.681  978.200  209.077  1200.80  233.230  229.369   25.790  254.039   25.975 -24.66977 36.60393 
1 1 1   21   14   11 o   65.262   15.143   48.078   39.918  140.897   75.883   12.564   46.938   85.844   24.049   44.679   18.408 41.16582 30.28548 
1 1 1   21   14   13 o  168.548   16.551  528.375   98.516  558.365  142.239  500.724  136.580  173.202   23.235  163.895   23.578 9.306335 33.10254 
1 1 1   21   14   15 o  102.054   18.077  206.183   65.193  186.123   95.503  223.687   89.211   97.033   26.908  107.075   24.148 -10.04252 36.15477 
1 1 1   21   14   17 o   91.255   15.880  156.883   59.775  273.913   84.331   38.711   84.741  121.246   19.679   61.265   24.928 59.98066 31.75924 
1 1 1   21   14   19 o   75.427   13.858   84.724   47.502  223.321   71.743 -23.4686   63.387  107.410   19.621   43.445   19.575 63.96409 27.71580 
1 1 1   21   14   21 o   64.216   15.987   75.782   45.620   92.607   63.733   58.104   65.329   68.763   22.636   59.668   22.582 9.095474 31.97374 
1 1 1   21   15    0 o  307.983   26.184  1752.61  285.030   0.0000   0.0000  1752.61  285.030  ?   ?   307.983   26.184      ?      ? 
1 1 1   21   15    2 o   83.535   17.899  132.533   57.430  103.004   94.353  149.912   72.382   78.212   27.513   88.858   22.903 -10.64621 35.79758 
1 1 1   21   15    4 o  170.290   16.849  558.591   89.169  490.690  158.610  589.970  107.822  159.714   29.172  180.865   16.867 -21.15085 33.69747 
1 1 1   21   15    6 o  306.934   15.543  1767.72  157.035  1603.98  269.709  1851.69  193.151  293.739   25.979  320.128   17.071 -26.38959 31.08529 
1 1 1   21   15    8 o   89.805   17.924  159.046   64.445   66.846  100.684  223.035   83.878   71.427   27.775  108.183   22.662 -36.75528 35.84748 
1 1 1   21   15   10 o  195.213   14.991  680.332   99.051  776.326  170.343  631.294  121.750  204.368   23.583  186.058   18.514 18.31036 29.98179 
1 1 1   21   15   12 o   32.018   10.403 -16.5185   23.561 -62.4280   52.568  -4.9780   26.356   33.996   16.146   30.041   13.121 3.954939 20.80534 
1 1 1   21   15   14 o  ?   ?  -62.8269   10.866   0.0000   0.0000 -62.8269   10.866  ?   ?   ?   ?       ?      ? 
1 1 1   21   15   16 o   99.787   21.321  191.355   75.594  170.148   89.278  245.071  142.086   92.010   26.195  107.564   33.647 -15.55431 42.64103 
1 1 1   21   15   18 o   51.547   14.291   34.407   38.067   41.323   52.433   26.698   55.354   52.993   20.189   50.101   20.232 2.891525 28.58200 
1 1 1   21   15   20 o   53.743   15.043   38.941   42.403   41.687   60.004   36.201   59.929   54.403   21.361   53.084   21.186 1.318840 30.08544 
1 1 1   21   16    1 o  238.371   18.502  1051.90  155.408  1012.65  210.311  1099.10  230.654  233.802   25.450  242.940   26.862 -9.138107 37.00407 
1 1 1   21   16    3 o  127.824   33.043  324.768  150.378   0.0000   0.0000  324.768  150.378  ?   ?   127.824   33.043      ?      ? 
1 1 1   21   16    5 o  101.609   22.198  190.465   83.273  171.109  100.788  232.099  147.817   94.347   28.115  108.870   34.358 -14.52283 44.39531 
1 1 1   21   16    7 o  272.539   13.098  1296.47  121.528  1569.58  208.048  1155.03  149.728  292.656   20.113  252.423   16.782 40.23341 26.19536 
1 1 1   21   16    9 o   95.764   16.476  161.031   54.077  248.873   92.607  115.579   66.614  113.579   23.829   77.949   22.760 35.63080 32.95179 
1 1 1   21   16   11 o   48.820   14.076   21.090   37.161   3.8927   65.041   29.424   45.280   49.324   21.069   48.316   18.671 1.007572 28.15173 
1 1 1   21   16   13 o   82.426   14.516  133.160   48.315   40.648   72.444  207.273   64.842   58.672   23.332  106.181   17.278 -47.50938 29.03288 
1 1 1   21   16   15 o   65.664   22.486   78.589   62.829   0.0000   0.0000   78.589   62.829  ?   ?    65.664   22.486      ?      ? 
1 1 1   21   16   17 o  121.634   15.800  293.185   65.420  282.172  100.347  301.325   86.276  117.438   24.946  125.830   19.399 -8.392220 31.60090 
1 1 1   21   16   19 o   68.818   15.950   93.349   45.814  118.104   63.937   67.225   65.681   75.987   22.329   61.649   22.782 14.33767 31.90052 
1 1 1   21   17    0 o   85.456   17.363  124.716   53.416  193.132   93.438   91.502   65.104   99.901   26.155   71.012   22.844 28.88901 34.72666 
1 1 1   21   17    2 o  305.506   18.073  1742.66  194.897  1723.63  268.390  1763.89  283.481  304.119   24.969  306.892   26.135 -2.773773 36.14519 
1 1 1   21   17    4 o   98.511   22.310  178.193   82.297  163.232   98.045  213.872  151.406   92.048   27.798  104.973   34.904 -12.92495 44.62097 
1 1 1   21   17    6 o  102.312   21.877  217.435   93.384  290.136  114.520   73.160  161.328  121.515   27.327   83.110   34.171 38.40548 43.75399 
1 1 1   21   17    8 o  162.679   18.895  485.549  103.675  374.709  131.518  667.482  168.497  137.686   27.980  187.672   25.402 -49.98605 37.79061 
1 1 1   21   17   10 o   74.166   20.011   50.907   51.677   33.425   55.153  176.641  147.910   52.334   20.500   95.998   34.374 -43.66479 40.02239 
1 1 1   21   17   12 o   80.015   15.710  127.846   48.810   70.550   73.325  173.435   65.407   65.406   24.090   94.624   20.173 -29.21822 31.42070 
1 1 1   21   17   14 o  124.109   15.070  297.677   63.885  302.864   97.947  293.836   84.280  123.383   23.315  124.834   19.102 -1.450577 30.14049 
1 1 1   21   17   16 o   79.595   16.467  126.274   52.770  186.512   74.794   66.570   74.462   95.834   22.471   63.356   24.077 32.47759 32.93451 
1 1 1   21   17   18 o   51.317   13.900   36.004   38.104   65.912   48.622 -11.6025   61.344   58.826   19.782   43.807   19.533 15.01952 27.80081 
1 1 1   21   18    1 o  143.688   14.070  372.443   68.999  405.083  115.325  354.244   86.113  147.883   22.064  139.493   17.466 8.389786 28.14046 
1 1 1   21   18    3 o  268.198   14.172  1300.81  128.831  1411.38  218.631  1241.98  159.456  275.373   22.463  261.023   17.284 14.34991 28.34303 
1 1 1   21   18    5 o   41.791   12.069   6.5030   27.567   33.025   46.720  -7.6617   34.143   49.805   19.037   33.776   14.838 16.02986 24.13704 
1 1 1   21   18    7 o  106.563   16.818  220.389   60.900  234.075   95.736  211.087   78.928  108.763   25.370  104.363   22.086 4.400177 33.63667 
1 1 1   21   18    9 f  204.326   18.043  793.660  127.940  734.888  163.812  885.584  204.866  196.062   23.639  212.589   27.265 -16.52736 36.08596 
1 1 1   21   18   11 o  115.692   25.667  271.480  102.208  271.480  102.208   0.0000   0.0000  115.692   25.667  ?   ?       ?      ? 
1 1 1   21   18   13 o  167.787   22.405  628.205  122.463  690.440  153.961  521.007  202.064  187.508   23.231  148.066   38.317 39.44112 44.80908 
1 1 1   21   18   15 o   29.177   13.165 -12.8759   28.797 -12.8759   28.797   0.0000   0.0000   29.177   13.165  ?   ?       ?      ? 
1 1 1   21   19    0 o  101.661   14.491  180.853   50.360  277.439   83.292  125.200   63.226  122.716   19.204   80.606   21.708 42.11040 28.98301 
1 1 1   21   19    2 o   69.833   15.222   87.784   40.667  113.949   65.466   71.343   51.894   77.013   22.585   62.652   20.416 14.36085 30.44442 
1 1 1   21   19    4 o   91.278   16.744  162.454   55.242  205.357   80.418  124.120   76.015  102.507   22.787   80.050   24.540 22.45640 33.48819 
1 1 1   21   19    6 o  151.740   18.916  415.189   95.250  314.608  116.012  623.244  166.852  124.811   27.077  178.669   26.422 -53.85794 37.83209 
1 1 1   21   19    8 o  164.518   18.775  486.697  102.247  402.056  121.394  693.338  189.678  143.929   23.863  185.107   28.992 -41.17807 37.54945 
1 1 1   21   19   10 o  148.705   15.822  426.074   81.990  453.722  128.397  407.038  106.541  151.763   23.937  145.648   20.696 6.114838 31.64360 
1 1 1   21   19   12 o  147.869   20.777  436.831   98.060  375.428  116.762  583.799  180.640  134.521   25.491  161.217   32.818 -26.69589 41.55456 
1 1 1   21   20    1 o   58.060   13.170   45.996   33.737  110.039   53.633   4.0641   43.398   75.356   19.858   40.764   17.306 34.59159 26.34079 
1 1 1   21   20    3 o   58.063   13.876   56.535   33.958   82.306   52.905   38.478   44.284   65.829   20.521   50.298   18.683 15.53131 27.75221 
1 1 1   21   20    5 o  124.286   15.796  302.172   66.683  297.289  103.314  305.659   87.303  121.346   24.923  127.227   19.415 -5.881386 31.59238 
1 1 1   21   20    7 o   89.965   15.822  154.585   54.024  262.530   81.893   71.414   71.884  115.523   20.823   64.406   23.828 51.11729 31.64377 
1 1 1   21   20    9 o  126.229   15.315  315.871   65.948  312.646  100.565  318.304   87.352  123.645   23.876  128.813   19.186 -5.167992 30.63017 
1 1 1   21   20   11 o   44.647   12.488   24.990   28.721   24.080   36.980   26.373   45.594   42.931   16.794   46.364   18.487 -3.432289 24.97650 
1 1 1   21   21    0 o   62.444   15.109   71.488   40.475   56.689   61.200   82.993   53.961   59.086   21.961   65.801   20.758 -6.714859 30.21881 
1 1 1   21   21    2 o   88.454   17.176  161.654   55.380  143.434   85.460  174.844   72.713   83.689   26.081   93.219   22.357 -9.529144 34.35183 
1 1 1   21   21    4 o   99.656   15.830  204.149   55.750  151.963   83.354  246.389   74.991   85.502   25.588  113.810   18.643 -28.30781 31.65908 
1 1 1   21   21    6 o  109.039   15.583  241.255   58.174  218.595   89.028  258.139   76.851  102.052   24.902  116.026   18.740 -13.97433 31.16592 
1 1 1   21   21    8 o   38.548   15.839   12.408   34.633   0.0000   0.0000   12.408   34.633  ?   ?    38.548   15.839      ?      ? 
1 1 1   21   22    1 o   66.621   15.064   87.638   40.509   72.141   58.737  101.694   55.942   62.116   21.716   71.127   20.883 -9.011089 30.12713 
1 1 1   21   22    3 o   88.091   16.243  150.345   48.711   0.0000   0.0000  150.345   48.711  ?   ?    88.091   16.243      ?      ? 
1 1 1   22    0    0 o   36.900   12.942   35.620   28.810   35.620   28.810   35.620   28.810   36.900   18.302   36.900   18.302 -0.000000 0.000000 
1 1 1   22    0    2 o  301.801   17.057  1659.66  253.526  1659.66  253.526  1659.66  253.526  301.801   24.122  301.801   24.122 -0.000000 0.000000 
1 1 1   22    0    4 o   97.971   13.307  188.309   58.213  188.309   58.213  188.309   58.213   97.971   18.819   97.971   18.819 -0.000000 0.000000 
1 1 1   22    0    6 o   91.360   21.046  190.193   85.077  190.193   85.077  190.193   85.077   91.360   29.764   91.360   29.764 -0.000000 0.000000 
1 1 1   22    0    8 o  220.931   11.713  882.761  127.678  882.761  127.678  882.761  127.678  220.931   16.565  220.931   16.565 -0.000000 0.000000 
1 1 1   22    0   10 f   76.646   15.886  128.302   52.868  128.302   52.868  128.302   52.868   76.646   22.466   76.646   22.466 -0.000000 0.000000 
1 1 1   22    0   12 o   49.955   16.810   65.572   47.918   65.572   47.918   65.572   47.918   49.955   23.773   49.955   23.773 -0.000000 0.000000 
1 1 1   22    0   14 o  109.923   14.479  236.656   71.454  236.656   71.454  236.656   71.454  109.923   20.477  109.923   20.477 -0.000000 0.000000 
1 1 1   22    0   16 o  184.963   12.619  627.402  114.170  627.402  114.170  627.402  114.170  184.963   17.846  184.963   17.846 -0.000000 0.000000 
1 1 1   22    0   18 o  257.405   12.319  1199.81  156.833  1199.81  156.833  1199.81  156.833  257.405   17.422  257.405   17.422 -0.000000 0.000000 
1 1 1   22    0   20 o  169.964   13.867  538.549  113.731  538.549  113.731  538.549  113.731  169.964   19.611  169.964   19.611 -0.000000 0.000000 
1 1 1   22    0   22 o   28.672   13.302  -6.4449   47.788  -6.4449   47.788  -6.4449   47.788   28.672   18.812   28.672   18.812 -0.000000 0.000000 
1 1 1   22    0   24 o   19.954   10.040 -59.7183   43.453 -59.7183   43.453 -59.7183   43.453   19.954   14.199   19.954   14.199 -0.000000 0.000000 
1 1 1   22    0   26 o   68.647   20.656  124.926   72.049  124.926   72.049  124.926   72.049   68.647   29.211   68.647   29.211 -0.000000 0.000000 
1 1 1   22    0   28 o   77.204   21.263  154.839   78.265  154.839   78.265  154.839   78.265   77.204   30.070   77.204   30.070 -0.000000 0.000000 
1 1 1   22    1    1 o  161.411   11.037  466.340   62.661  412.519   88.363  520.780   88.870  151.928   16.456  170.895   14.713 -18.96729 22.07404 
1 1 1   22    1    3 o  197.149   11.149  694.365   77.686  700.603  109.885  688.132  109.846  198.043   15.698  196.254   15.836 1.788895 22.29840 
1 1 1   22    1    5 o   98.149   12.026  176.032   40.336  211.947   57.878  142.117   56.244  108.949   15.031   87.350   18.776 21.59830 24.05121 
1 1 1   22    1    7 o  250.647   16.244  1124.41  143.909  1124.41  143.909   0.0000   0.0000  250.647   16.244  ?   ?       ?      ? 
1 1 1   22    1    9 o  206.465   11.446  763.548   83.488  789.384  118.134  737.768  118.006  210.000   15.916  202.930   16.453 7.070190 22.89139 
1 1 1   22    1   11 o  122.959   11.752  271.571   50.931  294.620   72.053  248.555   72.001  128.258   15.894  117.660   17.314 10.59832 23.50316 
1 1 1   22    1   13 o  111.823   12.902  230.669   48.850  177.739   68.459  285.579   69.727   97.392   20.535  126.255   15.626 -28.86308 25.80362 
1 1 1   22    1   15 o   92.981   15.842  159.670   49.807  178.585   83.714  149.306   61.968   96.876   24.448   89.087   20.152 7.789063 31.68315 
1 1 1   22    1   17 o   51.780   12.720   31.480   32.955   79.091   45.908 -19.1354   47.334   65.337   18.842   38.223   17.092 27.11355 25.43943 
1 1 1   22    1   19 o  139.354   12.900  353.584   63.266  335.211   92.217  369.922   86.958  135.721   19.224  142.986   17.207 -7.265335 25.79979 
1 1 1   22    1   21 o  119.734   14.877  269.114   61.265  247.857   88.588  288.601   84.817  113.844   22.811  125.623   19.103 -11.77943 29.75332 
1 1 1   22    1   23 o   42.534   12.944  -1.0097   35.183  -0.8082   49.024  -1.2237   50.522   42.266   18.179   42.801   18.432 -0.5350914 25.88885 
1 1 1   22    1   25 o   60.393   14.703   45.903   41.529  -2.2242   53.867  116.418   65.204   43.646   18.914   77.139   22.516 -33.49279 29.40555 
1 1 1   22    1   27 o   90.034   17.991  170.428   60.168  146.551   91.506  188.614   79.860   84.088   27.086   95.979   23.686 -11.89011 35.98158 
1 1 1   22    2    0 o  228.341   13.792  937.765  104.947  930.053  181.059  941.667  128.789  227.036   22.563  229.646   15.867 -2.610428 27.58393 
1 1 1   22    2    2 o  253.015   11.448  1144.15  102.370  1134.51  144.884  1153.77  144.663  251.937   16.271  254.094   16.108 -2.157425 22.89563 
1 1 1   22    2    4 o  154.048   11.191  425.065   60.769  392.645   86.403  456.799   85.484  148.147   16.501  159.949   15.121 -11.80139 22.38164 
1 1 1   22    2    6 f   72.247   15.180   91.335   46.766   20.206   69.390  150.534   63.303   54.815   22.459   89.678   20.428 -34.86356 30.35967 
1 1 1   22    2    8 o   89.922   16.473  150.785   53.348  118.118   73.546  187.061   77.502   80.110   24.049   99.733   22.519 -19.62363 32.94667 
1 1 1   22    2   10 o  104.200   14.848  193.281   51.401  246.840   85.803  163.303   64.194  114.960   21.917   93.440   20.039 21.51955 29.69696 
1 1 1   22    2   12 o  158.735   12.335  463.235   66.423  314.985   93.477  614.437   94.403  132.060   20.027  185.410   14.406 -53.35052 24.66975 
1 1 1   22    2   14 o  134.772   12.072  326.407   57.469  342.148   82.541  311.597   80.062  137.943   16.930  131.602   17.212 6.340744 24.14310 
1 1 1   22    2   16 o   57.284   11.666   37.785   32.450 -35.0434   44.435  121.008   47.501   34.087   15.745   80.481   17.219 -46.39433 23.33260 
1 1 1   22    2   18 o   85.714   15.387  138.852   46.755  155.577   68.004  123.858   64.387   90.521   21.563   80.907   21.956 9.614037 30.77363 
1 1 1   22    2   20 o  122.660   13.988  274.672   60.557  282.675   88.435  267.606   83.096  124.266   20.135  121.054   19.421 3.211624 27.97502 
1 1 1   22    2   22 o  124.121   19.080  272.423   71.605  370.056  148.962  243.083   81.658  135.267   31.709  112.976   21.229 22.29138 38.15962 
1 1 1   22    2   24 o  105.047   16.008  215.771   57.693  228.026   81.113  203.224   82.076  108.403   21.924  101.690   23.331 6.713058 32.01550 
1 1 1   22    2   26 o   54.097   15.052   31.770   42.335   9.4170   54.931   64.469   66.438   46.135   19.522   62.059   22.917 -15.92375 30.10491 
1 1 1   22    2   28 o   62.520   16.328   70.434   47.025   82.069   56.694   44.778   84.188   64.829   21.349   60.211   24.712 4.618099 32.65680 
1 1 1   22    3    1 o  111.363   13.923  228.602   50.491  220.821   86.218  232.664   62.289  108.567   23.174  114.159   15.438 -5.591713 27.84528 
1 1 1   22    3    3 o  162.523   11.249  473.127   64.433  434.127   91.434  511.601   90.815  155.773   16.607  169.273   15.179 -13.49976 22.49899 
1 1 1   22    3    5 o  163.409   14.741  497.925   77.294  440.345  138.212  524.128   93.237  155.556   25.138  171.262   15.403 -15.70656 29.48215 
1 1 1   22    3    7 o  126.729   11.523  287.528   51.559  270.182   72.370  305.407   73.473  122.809   16.673  130.648   15.911 -7.839188 23.04662 
1 1 1   22    3    9 o  368.052   15.202  2442.04  186.870  2478.37  322.554  2423.69  229.265  368.711   24.751  367.393   17.656 1.317719 30.40309 
1 1 1   22    3   11 o  221.934   11.262  882.734   88.292  868.955  126.363  895.877  123.416  220.182   16.237  223.686   15.610 -3.503738 22.52409 
1 1 1   22    3   13 o  318.345   12.335  1825.92  138.491  1699.04  196.645  1950.78  195.076  307.135   18.115  329.554   16.748 -22.41919 24.67044 
1 1 1   22    3   15 o  100.160   14.239  187.881   48.655  200.125   69.613  176.188   68.030  103.509   19.749   96.812   20.519 6.696663 28.47869 
1 1 1   22    3   17 o  140.875   12.154  361.688   59.873  321.467   87.805  396.642   81.854  133.223   18.647  148.527   15.592 -15.30353 24.30747 
1 1 1   22    3   19 o   67.736   14.598   83.381   39.929  115.459   55.068   47.819   57.980   78.079   19.897   57.393   21.366 20.68587 29.19605 
1 1 1   22    3   21 o   94.501   15.094  168.101   51.173  229.133   73.803  111.587   71.018  111.958   18.651   77.044   23.737 34.91407 30.18745 
1 1 1   22    3   23 o   84.391   16.224  133.441   53.626   62.649   74.129  211.165   77.673   64.177   24.107  104.606   21.719 -40.42875 32.44754 
1 1 1   22    3   25 o   46.810   13.636   3.8013   39.751 -46.4040   58.320   47.365   54.326   38.240   17.792   55.381   20.669 -17.14108 27.27222 
1 1 1   22    3   27 o   55.378   16.601   20.754   56.322   27.122   81.611   14.962   77.828   56.915   23.923   53.840   23.024 3.074871 33.20289 
1 1 1   22    4    0 f  228.565   10.979  932.736   88.651  971.663  126.149  894.753  124.609  233.311   15.298  223.820   15.752 9.491180 21.95778 
1 1 1   22    4    2 o  179.064   10.978  572.885   69.461  563.508   98.728  582.075   97.745  177.587   15.729  180.540   15.318 -2.952957 21.95558 
1 1 1   22    4    4 o  199.317   13.338  691.822   88.862  781.222  156.936  649.632  107.810  208.044   21.343  190.589   16.004 17.45534 26.67669 
1 1 1   22    4    6 f  137.997   11.659  342.807   56.521  304.466   80.794  379.555   79.098  130.281   17.546  145.714   15.358 -15.43362 23.31830 
1 1 1   22    4    8 o  298.390   14.985  1634.88  148.206  1687.45  182.418  1532.78  254.203  306.798   16.823  289.982   24.802 16.81564 29.96917 
1 1 1   22    4   10 o  216.423   11.659  842.132   88.889  773.750  126.725  908.362  124.715  207.599   17.271  225.247   15.665 -17.64775 23.31714 
1 1 1   22    4   12 o   53.304   12.672   47.748   28.504   57.429   39.504   37.235   41.168   56.711   17.742   49.896   18.100 6.815434 25.34471 
1 1 1   22    4   14 o  255.909   11.798  1192.36  105.096  977.347  150.752  1395.67  146.590  232.723   18.328  279.095   14.861 -46.37137 23.59520 
1 1 1   22    4   16 o   45.818   12.691   20.050   31.160   40.228   41.678  -5.5221   46.919   50.929   18.245   40.707   17.646 10.22268 25.38241 
1 1 1   22    4   18 o   63.253   13.643   70.614   34.896   39.302   48.981  102.889   49.729   52.628   19.629   73.878   18.952 -21.24982 27.28535 
1 1 1   22    4   20 o   69.446   14.167   86.701   39.379   40.852   55.063  134.699   56.339   54.632   20.718   84.261   19.328 -29.62906 28.33445 
1 1 1   22    4   22 o  198.348   15.920  709.363  105.377  659.510  127.592  816.331  186.897  189.305   19.070  207.392   25.497 -18.08719 31.83942 
1 1 1   22    4   24 o   77.053   17.806  114.945   56.011   89.670   90.967  130.378   71.084   72.642   26.818   81.463   23.432 -8.821404 35.61293 
1 1 1   22    4   26 f  118.112   17.481  281.968   68.200  283.978   83.691  277.994  117.671  122.223   19.373  114.001   29.104 8.222923 34.96231 
1 1 1   22    4   28 o   69.967   15.900   99.750   48.767  140.488   62.642   37.073   77.699   82.803   21.287   57.131   23.625 25.67149 31.80023 
1 1 1   22    5    1 f  319.043   14.811  1872.62  155.669  1723.34  268.824  1947.93  190.940  308.071   24.689  330.014   16.370 -21.94333 29.62265 
1 1 1   22    5    3 o  364.922   12.369  2387.36  159.521  2364.81  226.258  2409.64  224.941  363.169   17.627  366.676   17.357 -3.506195 24.73788 
1 1 1   22    5    5 o   90.536   14.419  156.114   44.447  171.283   55.446  128.841   74.346   97.837   16.034   83.235   23.970 14.60177 28.83858 
1 1 1   22    5    7 o   80.179   12.291  119.394   33.814  128.100   49.054  111.511   46.674   83.018   17.280   77.340   17.485 5.677895 24.58290 
1 1 1   22    5    9 o   98.406   16.112  169.995   53.835  129.332   67.137  243.229   90.099   83.039   22.372  113.772   23.193 -30.73315 32.22428 
1 1 1   22    5   11 o  203.128   13.441  724.203   93.320  671.358  116.162  820.378  156.709  193.357   16.997  212.898   20.826 -19.54070 26.88171 
1 1 1   22    5   13 o   36.020   10.895  -1.1237   24.736   5.3309   33.373  -8.9932   36.850   36.922   15.393   35.118   15.422 1.803997 21.78959 
1 1 1   22    5   15 o  137.902   13.707  364.730   61.079  230.608   87.737  490.856   85.082  110.321   23.235  165.482   14.547 -55.16136 27.41310 
1 1 1   22    5   17 o   94.002   14.232  166.887   45.852  159.699   65.686  173.720   64.036   91.856   20.725   96.148   19.510 -4.291893 28.46366 
1 1 1   22    5   19 o  143.308   14.522  367.292   71.983  421.201  117.064  334.516   91.279  151.200   21.905  135.416   19.071 15.78371 29.04421 
1 1 1   22    5   21 o  122.032   19.153  302.383   77.429  246.995  136.966  328.398   93.868  110.534   32.737  133.531   19.889 -22.99691 38.30563 
1 1 1   22    5   23 o   84.770   16.240  140.479   49.707  138.353   67.185  143.051   73.883   84.173   22.247   85.366   23.665 -1.193596 32.47997 
1 1 1   22    5   25 o   55.454   15.046   43.083   42.921   66.796   54.052   2.6096   70.616   60.758   20.854   50.150   21.694 10.60798 30.09186 
1 1 1   22    5   27 o   51.017   15.018   0.4330   39.307 -22.2180   44.741   77.066   82.294   35.544   16.185   66.489   25.301 -30.94522 30.03548 
1 1 1   22    6    0 o  196.443   10.850  689.881   75.266  663.317  107.105  715.799  105.792  192.651   15.730  200.236   14.948 -7.584930 21.69953 
1 1 1   22    6    2 o  168.724   11.311  511.965   66.985  447.132   95.349  575.148   94.127  157.978   17.076  179.471   14.839 -21.49275 22.62293 
1 1 1   22    6    4 o  308.996   23.876  1734.46  260.754   0.0000   0.0000  1734.46  260.754  ?   ?   308.996   23.876      ?      ? 
1 1 1   22    6    6 o  175.479   11.170  552.758   68.995  497.579   97.870  607.273   97.279  166.630   16.618  184.329   14.932 -17.69963 22.34070 
1 1 1   22    6    8 o   73.106   12.658   99.739   32.488   91.394   45.597  108.343   46.302   70.015   18.242   76.196   17.554 -6.180916 25.31644 
1 1 1   22    6   10 o   81.501   16.476  124.152   49.810  128.406   67.744  119.146   73.492   82.725   22.551   80.277   24.027 2.447678 32.95214 
1 1 1   22    6   12 o  140.395   16.814  362.011   81.493  335.958  108.861  395.223  122.911  133.739   23.907  147.051   23.649 -13.31194 33.62768 
1 1 1   22    6   14 o  133.020   13.238  331.855   58.178  229.890   82.295  433.727   82.257  110.532   21.840  155.508   14.966 -44.97597 26.47548 
1 1 1   22    6   16 o   70.716   16.438   74.759   43.889   53.791   51.420  131.026   84.234   57.622   20.306   83.810   25.856 -26.18719 32.87648 
1 1 1   22    6   18 o  210.139   16.271  798.080  120.851  798.080  120.851   0.0000   0.0000  210.139   16.271  ?   ?       ?      ? 
1 1 1   22    6   20 o   54.488   14.106   34.390   38.607   79.696   55.591  -7.8183   53.657   66.060   21.094   42.917   18.734 23.14383 28.21199 
1 1 1   22    6   22 o   52.241   19.659   39.265   49.341   39.265   49.341   0.0000   0.0000   52.241   19.659  ?   ?       ?      ? 
1 1 1   22    6   24 o   91.648   17.374  155.979   53.282  135.496   62.967  207.631   99.990   82.899   21.358  100.398   27.409 -17.49944 34.74800 
1 1 1   22    6   26 o   65.179   15.997   71.797   46.847   33.642   62.523  120.637   70.738   53.314   21.512   77.044   23.682 -23.72971 31.99385 
1 1 1   22    7    1 o  316.174   11.748  1789.95  131.275  1800.48  186.408  1779.59  184.905  317.092   16.633  315.256   16.595 1.835785 23.49507 
1 1 1   22    7    3 o  200.964   15.450  774.589   98.469  621.997  174.082  846.384  119.408  184.377   26.713  217.551   15.529 -33.17386 30.89926 
1 1 1   22    7    5 o  104.151   14.239  190.300   48.745  160.589   59.978  248.104   83.659   92.863   18.916  115.440   21.288 -22.57709 28.47832 
1 1 1   22    7    7 o  217.486   11.631  850.821   89.015  766.402  126.585  933.399  125.197  206.607   17.335  228.366   15.511 -21.75909 23.26135 
1 1 1   22    7    9 o  143.069   11.514  366.877   58.181  348.425   81.397  386.153   83.193  139.362   16.525  146.777   16.037 -7.415070 23.02713 
1 1 1   22    7   11 o   65.696   14.064   78.923   35.516   72.449   51.946   84.605   48.668   63.793   20.393   67.598   19.373 -3.804184 28.12790 
1 1 1   22    7   13 o  101.223   15.235  178.632   50.213  149.558   60.561  242.580   89.817   89.188   19.734  113.258   23.217 -24.07008 30.47076 
1 1 1   22    7   15 o   99.410   14.875  191.085   51.076  139.412   77.657  230.480   67.806   85.798   24.432  113.022   16.974 -27.22411 29.74951 
1 1 1   22    7   17 o  178.272   14.022  596.041   84.120  520.643  136.662  642.034  106.737  167.954   23.022  188.590   16.013 -20.63589 28.04313 
1 1 1   22    7   19 o   57.711   14.006   56.921   34.303   61.499   44.558   50.261   53.748   58.584   18.904   56.839   20.671 1.744831 28.01176 
1 1 1   22    7   21 o  171.814   15.942  606.503   84.889  389.756  133.736  752.760  109.857  140.086   27.990  203.542   15.271 -63.45534 31.88440 
1 1 1   22    7   23 o   47.107   13.625   16.478   37.252   39.007   46.309 -24.8335   62.710   51.052   19.077   43.162   19.457 7.889954 27.24900 
1 1 1   22    7   25 o   57.213   15.759   10.843   38.182 -12.7945   42.052  121.814   91.116   36.200   16.155   78.225   27.063 -42.02525 31.51829 
1 1 1   22    8    0 o  184.009   11.678  614.185   74.700  494.757  106.713  728.939  104.604  165.982   18.190  202.037   14.649 -36.05510 23.35514 
1 1 1   22    8    2 o  240.789   16.070  1125.48  122.059  869.074  214.777  1247.80  148.342  217.529   27.935  264.049   15.895 -46.51991 32.14070 
1 1 1   22    8    4 o  258.680   11.477  1197.44  104.855  1230.66  151.810  1167.15  145.000  262.072   16.389  255.288   16.070 6.784515 22.95332 
1 1 1   22    8    6 o  298.703   14.609  1582.15  147.786  1509.73  182.572  1719.78  251.696  289.831   17.823  307.576   23.153 -17.74481 29.21806 
1 1 1   22    8    8 o  331.568   11.842  1976.13  138.505  1841.34  196.345  2109.64  195.410  320.109   17.354  343.028   16.118 -22.91864 23.68415 
1 1 1   22    8   10 o  118.975   14.869  245.166   59.565  182.674   74.901  352.689   98.248   98.364   22.085  139.585   19.914 -41.22101 29.73776 
1 1 1   22    8   12 o   53.114   13.108   44.908   30.196   37.385   40.517   54.307   45.287   49.677   17.966   56.550   19.092 -6.873199 26.21556 
1 1 1   22    8   14 o  116.331   13.098  244.643   53.801  231.617   74.356  258.955   77.943  113.074   18.605  119.587   18.441 -6.512741 26.19546 
1 1 1   22    8   16 o  242.999   14.661  1149.06  115.545  874.661  192.227  1304.28  144.579  216.893   25.075  269.105   15.201 -52.21179 29.32293 
1 1 1   22    8   18 o   46.840   18.903   19.467   48.283   0.0000   0.0000   19.467   48.283  ?   ?    46.840   18.903      ?      ? 
1 1 1   22    8   20 o   36.233   11.715 -14.4242   28.607   3.3945   30.864 -123.0477   76.205   34.873   14.688   37.594   18.253 -2.721107 23.42903 
1 1 1   22    8   22 o   69.747   17.453   76.069   50.115   57.016   59.570  122.216   92.706   59.357   21.735   80.137   27.314 -20.78027 34.90685 
1 1 1   22    8   24 o   90.884   16.711  132.427   55.635   60.045   66.783  296.595  100.576   60.816   22.874  120.952   24.369 -60.13633 33.42222 
1 1 1   22    8   26 o   81.882   19.572  144.579   70.538  184.016   91.238   85.983  111.214   92.189   26.556   71.575   28.757 20.61402 39.14307 
1 1 1   22    9    1 o  100.476   16.362  180.860   58.105   0.0000   0.0000  180.860   58.105  ?   ?   100.476   16.362      ?      ? 
1 1 1   22    9    3 o  372.890   18.666  2557.48  244.736  2294.26  348.893  2812.46  343.392  353.124   27.954  392.657   24.743 -39.53299 37.33173 
1 1 1   22    9    5 o  252.130   16.227  1224.11  128.978  990.184  230.586  1330.62  155.596  231.783   28.147  272.477   16.156 -40.69466 32.45437 
1 1 1   22    9    7 o  306.374   16.571  1825.17  160.698  1422.16  281.661  2019.67  195.670  277.265   28.742  335.483   16.502 -58.21829 33.14207 
1 1 1   22    9    9 o  180.305   11.488  583.962   73.204  577.493  103.804  590.363  103.251  179.288   16.381  181.323   16.111 -2.035202 22.97617 
1 1 1   22    9   11 o  144.916   16.360  389.708   81.381  337.213  113.658  444.935  116.578  133.455   25.015  156.377   21.092 -22.92244 32.72065 
1 1 1   22    9   13 o  188.340   14.462  648.123   92.297  637.777  153.212  654.016  115.634  186.339   23.263  190.341   17.188 -4.001282 28.92414 
1 1 1   22    9   15 o  112.530   16.578  236.887   65.349  155.032   88.926  332.994   96.357   90.050   26.297  135.010   20.193 -44.95974 33.15578 
1 1 1   22    9   17 o   50.746   20.704   20.562   58.656   0.0000   0.0000   20.562   58.656  ?   ?    50.746   20.704      ?      ? 
1 1 1   22    9   19 o   49.127   15.360   0.1330   38.156   1.1691   41.191  -6.1312  101.283   39.322   16.781   58.931   25.731 -19.60974 30.71969 
1 1 1   22    9   21 o   76.121   16.941  107.464   47.411  102.874   55.955  119.144   89.267   72.977   20.725   79.264   26.804 -6.287216 33.88150 
1 1 1   22    9   23 f   39.784   13.048 -47.0410   43.857 -27.5975   64.147 -64.1071   60.097   42.978   19.497   36.590   17.345 6.388474 26.09565 
1 1 1   22    9   25 o   86.989   16.412  157.582   55.383   82.651   78.918  230.292   77.741   67.158   24.942  106.821   21.337 -39.66245 32.82376 
1 1 1   22   10    0 o  237.710   15.029  1091.66  112.179  857.754  200.148  1198.79  135.455  216.454   26.162  258.966   14.799 -42.51143 30.05738 
1 1 1   22   10    2 o  109.636   20.475  229.759   80.506  235.785  115.150  223.997  112.598  110.998   29.023  108.274   28.888 2.723656 40.94955 
1 1 1   22   10    4 o  172.000   15.293  529.575   92.972   0.0000   0.0000  529.575   92.972  ?   ?   172.000   15.293      ?      ? 
1 1 1   22   10    6 o  124.140   17.713  277.375   77.716   0.0000   0.0000  277.375   77.716  ?   ?   124.140   17.713      ?      ? 
1 1 1   22   10    8 o  115.311   16.621  239.072   67.740   0.0000   0.0000  239.072   67.740  ?   ?   115.311   16.621      ?      ? 
1 1 1   22   10   10 o   79.487   23.416  117.996   70.232   0.0000   0.0000  117.996   70.232  ?   ?    79.487   23.416      ?      ? 
1 1 1   22   10   12 o   95.443   25.162  174.500   86.089   0.0000   0.0000  174.500   86.089  ?   ?    95.443   25.162      ?      ? 
1 1 1   22   10   14 o   71.886   24.032   91.720   71.752   0.0000   0.0000   91.720   71.752  ?   ?    71.886   24.032      ?      ? 
1 1 1   22   10   16 o  151.349   18.218  428.175   94.633  510.936  144.956  366.703  124.929  165.219   24.823  137.478   26.673 27.74088 36.43641 
1 1 1   22   10   18 o   72.592   18.483   86.676   58.604  102.255   98.226   78.065   73.025   77.285   27.969   67.899   24.170 9.386032 36.96559 
1 1 1   22   10   20 o   90.722   18.590  165.877   63.383  143.186   96.089  183.355   84.331   85.486   27.777   95.959   24.714 -10.47208 37.17996 
1 1 1   22   10   22 o   71.278   15.026   72.377   52.909 -47.8723   74.754  193.080   74.895   44.121   20.395   98.435   22.072 -54.31338 30.05184 
1 1 1   22   10   24 o  137.253   17.218  388.264   78.811  367.970  126.023  401.299  100.998  130.588   28.134  143.917   19.855 -13.32855 34.43502 
1 1 1   22   11    3 o  110.242   23.738  229.635   89.760   0.0000   0.0000  229.635   89.760  ?   ?   110.242   23.738      ?      ? 
1 1 1   22   11    5 o  148.770   22.282  403.050  117.165   0.0000   0.0000  403.050  117.165  ?   ?   148.770   22.282      ?      ? 
1 1 1   22   11    7 o   92.647   23.557  163.021   77.312   0.0000   0.0000  163.021   77.312  ?   ?    92.647   23.557      ?      ? 
1 1 1   22   11    9 o  217.751   22.902  868.343  176.261   0.0000   0.0000  868.343  176.261  ?   ?   217.751   22.902      ?      ? 
1 1 1   22   11   11 f  129.010   19.907  334.868   89.002  232.635  139.502  405.047  115.581  109.314   33.191  148.705   21.991 -39.39088 39.81485 
1 1 1   22   11   13 o   93.321   25.173  167.746   84.940   0.0000   0.0000  167.746   84.940  ?   ?    93.321   25.173      ?      ? 
1 1 1   22   11   15 f  221.223   14.643  885.518  107.002  945.667  190.690  857.875  129.272  225.102   23.968  217.344   16.828 7.758102 29.28563 
1 1 1   22   11   17 o   64.890   16.609   37.752   45.719  137.381   92.253   5.3164   52.638   84.742   27.186   45.038   19.087 39.70324 33.21706 
1 1 1   22   11   19 o   50.094   14.568  -3.3134   47.710 -92.7066   74.005   60.262   62.410   39.310   18.805   60.878   22.254 -21.56853 29.13574 
1 1 1   22   11   21 o   61.188   16.719   52.209   53.148   83.475   72.328   15.512   78.359   67.772   24.062   54.604   23.220 13.16799 33.43854 
1 1 1   22   11   23 o  126.699   17.720  325.705   77.607  405.838  116.972  262.694  103.725  142.544   23.217  110.854   26.775 31.68995 35.43911 
1 1 1   22   12    0 o  251.700   23.121  1154.35  205.690   0.0000   0.0000  1154.35  205.690  ?   ?   251.700   23.121      ?      ? 
1 1 1   22   12    2 o  461.492   27.126  3932.90  442.454   0.0000   0.0000  3932.90  442.454  ?   ?   461.492   27.126      ?      ? 
1 1 1   22   12    4 o  143.408   22.463  375.099  113.857   0.0000   0.0000  375.099  113.857  ?   ?   143.408   22.463      ?      ? 
1 1 1   22   12    6 o  138.675   19.157  369.134   89.626  332.302  141.776  393.652  115.672  130.525   31.163  146.825   22.290 -16.29987 38.31382 
1 1 1   22   12    8 o  314.639   18.157  1828.19  201.128  1619.35  278.125  2057.13  291.203  295.296   26.648  333.983   24.669 -38.68747 36.31340 
1 1 1   22   12   10 o  102.248   22.281  198.868   88.084  176.859  117.406  227.207  133.227   96.578   30.636  107.919   32.362 -11.34071 44.56282 
1 1 1   22   12   12 o  112.541   19.398  238.095   74.376  288.949  123.632  209.252   93.109  121.168   29.210  103.915   25.534 17.25300 38.79674 
1 1 1   22   12   14 o  288.765   15.258  1512.07  147.491  1639.48  256.931  1449.45  180.126  295.736   24.581  281.794   18.085 13.94183 30.51688 
1 1 1   22   12   16 o   83.941   17.379  124.177   57.212  206.763   89.420   66.939   74.443  102.542   24.917   65.339   24.233 37.20339 34.75782 
1 1 1   22   12   18 o   81.845   18.323  127.995   58.901  152.994   91.305  110.175   77.087   87.659   26.899   76.032   24.888 11.62707 36.64618 
1 1 1   22   12   20 o   45.898   13.320 -13.0409   41.226   57.723   55.747 -98.4499   61.244   58.274   21.074   33.521   16.296 24.75355 26.63944 
1 1 1   22   12   22 o   66.930   17.956   76.801   57.035   68.403   72.125   90.818   93.179   63.059   23.760   70.802   26.927 -7.742195 35.91167 
1 1 1   22   13    1 o   43.104   20.523 -106.0285   85.971 -106.0285   85.971   0.0000   0.0000   43.104   20.523  ?   ?       ?      ? 
1 1 1   22   13    3 o  307.523   14.799  1669.09  151.447  1872.79  269.295  1574.87  183.155  319.537   23.844  295.509   17.536 24.02792 29.59836 
1 1 1   22   13    5 o  262.356   18.025  1267.30  165.389  1037.72  226.781  1528.13  241.724  236.288   27.155  288.424   23.712 -52.13690 36.05053 
1 1 1   22   13    7 o  232.965   15.024  971.945  117.289  1054.20  204.100  931.389  143.317  239.060   24.156  226.869   17.873 12.19151 30.04893 
1 1 1   22   13    9 f   52.004   12.615 -15.6690   24.740  123.183   66.977 -37.6085   26.623   80.600   22.599   23.408   11.220 57.19165 25.23065 
1 1 1   22   13   11 o  164.838   15.879  501.971   85.985  503.455  152.306  501.277  104.175  163.646   26.332  166.030   17.752 -2.384033 31.75749 
1 1 1   22   13   13 o   92.194   24.760  165.395   82.388   0.0000   0.0000  165.395   82.388  ?   ?    92.194   24.760      ?      ? 
1 1 1   22   13   15 o  176.069   16.077  592.680   94.066  550.431  159.209  615.337  116.592  169.195   26.623  182.943   18.031 -13.74808 32.15475 
1 1 1   22   13   17 o   97.822   16.852  198.610   58.044  144.731   92.840  233.184   74.370   85.454   27.257  110.191   19.825 -24.73696 33.70428 
1 1 1   22   13   19 o   63.185   16.149   61.724   46.999  106.062   73.444   30.977   61.162   73.660   24.301   52.710   21.274 20.94942 32.29757 
1 1 1   22   13   21 o   50.433   14.676   24.406   42.250   14.396   58.634   35.216   60.934   47.855   20.205   53.011   21.291 -5.156052 29.35183 
1 1 1   22   14    0 o  150.878   21.670  442.043  111.140  453.503  150.172  428.165  165.262  153.837   28.674  147.919   32.498 5.917618 43.33958 
1 1 1   22   14    2 o  253.390   18.172  1190.44  162.295  1265.28  226.942  1112.09  232.187  262.077   24.500  244.703   26.846 17.37361 36.34490 
1 1 1   22   14    4 o  105.888   18.296  223.315   64.638  171.870  123.859  242.570   75.775   96.087   31.552  115.688   18.532 -19.60091 36.59153 
1 1 1   22   14    6 o  133.428   17.470  331.189   73.986  346.870  135.278  324.497   88.374  133.218   29.508  133.638   18.710 -0.4197540 34.93993 
1 1 1   22   14    8 o  268.704   14.398  1299.04  129.363  1395.60  225.569  1251.72  157.912  274.583   23.243  262.826   16.999 11.75699 28.79571 
1 1 1   22   14   10 o   68.937   14.655   84.157   48.734 -49.5018   83.340  153.608   60.075   47.900   21.919   89.973   19.458 -42.07351 29.30900 
1 1 1   22   14   12 o   66.541   15.819   77.962   48.245   4.5008   81.822  117.112   59.733   54.939   23.554   78.142   21.123 -23.20368 31.63797 
1 1 1   22   14   14 o   47.269   18.627   25.580   45.782   0.0000   0.0000   25.580   45.782  ?   ?    47.269   18.627      ?      ? 
1 1 1   22   14   16 o   40.416   12.420 -12.4966   35.513 -71.9704   58.976   21.335   44.481   35.405   16.896   45.427   18.210 -10.02197 24.84071 
1 1 1   22   14   18 o  125.552   18.062  319.254   78.784  242.210  108.017  406.825  115.160  106.714   28.210  144.389   22.566 -37.67542 36.12487 
1 1 1   22   14   20 o   60.703   16.121   61.104   49.125   90.246   63.426   17.409   77.665   67.622   22.595   53.785   23.000 13.83651 32.24195 
1 1 1   22   15    1 o  214.636   19.634  877.896  139.382  605.761  192.767  1176.06  201.774  176.164   32.144  253.109   22.555 -76.94495 39.26778 
1 1 1   22   15    3 f  155.886   20.253  448.982  107.770  380.645  137.900  556.203  172.735  139.918   28.844  171.854   28.438 -31.93594 40.50549 
1 1 1   22   15    5 o   87.262   21.426  135.311   83.652  179.404  108.723   71.336  130.960   96.446   29.305   78.077   31.264 18.36886 42.85122 
1 1 1   22   15    7 o  134.982   21.877  379.465  107.413  506.155  142.541  212.992  163.395  164.629   24.497  105.335   36.253 59.29458 43.75349 
1 1 1   22   15    9 o   71.988   15.071   89.135   56.171 -119.9960  102.201  179.651   67.237   46.866   22.331   97.110   20.245 -50.24420 30.14218 
1 1 1   22   15   11 o   97.313   15.267  206.662   64.264 -26.9094  105.458  344.635   81.052   57.264   25.567  137.362   16.695 -80.09743 30.53465 
1 1 1   22   15   13 o   79.064   17.994  121.071   57.179  105.257   88.681  132.323   74.805   75.992   26.676   82.137   24.157 -6.145134 35.98868 
1 1 1   22   15   15 o   76.463   17.067  116.055   52.851   82.225   81.477  140.629   69.442   68.962   25.394   83.965   22.808 -15.00321 34.13309 
1 1 1   22   15   17 o   33.869   10.824 -20.5800   28.004  -3.9883   40.322 -36.0401   38.923   37.205   16.240   30.533   14.314 6.671806 21.64776 
1 1 1   22   15   19 o   34.611   10.841 -14.3873   27.917   11.236   35.079 -58.6478   46.104   38.421   15.880   30.801   14.763 7.620575 21.68214 
1 1 1   22   16    0 o  176.109   15.684  583.033   89.288  538.482  159.099  603.516  107.879  169.568   26.546  182.650   16.711 -13.08176 31.36800 
1 1 1   22   16    2 o  125.678   18.475  293.291   74.871  323.246  137.308  280.615   89.319  127.626   30.793  123.731   20.424 3.894562 36.95098 
1 1 1   22   16    4 o   77.279   21.012   85.528   82.700  126.557  100.600   0.0013  145.246   83.497   28.453   71.062   30.925 12.43578 42.02357 
1 1 1   22   16    6 o   62.207   18.816   13.922   71.155   31.999   86.515 -23.8687  125.090   61.179   25.073   63.235   28.062 -2.056110 37.63179 
1 1 1   22   16    8 o   73.456   18.965   82.808   72.524  146.657   85.679 -78.5564  136.207   86.852   25.931   60.059   27.680 26.79327 37.92905 
1 1 1   22   16   10 o  122.754   27.257  301.827  115.176  301.827  115.176   0.0000   0.0000  122.754   27.257  ?   ?       ?      ? 
1 1 1   22   16   12 o   92.406   22.323  158.093   77.579  144.251   88.431  204.335  161.630   85.106   26.531   99.705   35.908 -14.59863 44.64664 
1 1 1   22   16   14 o  116.500   25.498  277.638  102.075   0.0000   0.0000  277.638  102.075  ?   ?   116.500   25.498      ?      ? 
1 1 1   22   16   16 o   74.103   16.713  111.168   49.572   98.937   73.377  121.437   67.235   71.003   24.300   77.203   22.953 -6.200806 33.42673 
1 1 1   22   17    1 o   80.652   18.065  115.987   52.542  133.410  104.142  110.038   60.855   85.219   28.950   76.084   21.615 9.135086 36.12936 
1 1 1   22   17    3 o   53.858   13.003  -8.2406   30.083  124.907   66.993 -41.8708   33.669   80.658   22.597   27.058   12.872 53.60002 26.00567 
1 1 1   22   17    5 f   24.156   9.2367 -29.6161   8.9727 -54.5146   59.112 -29.0289   9.0779   37.819   17.700   10.493   5.2880 27.32586 18.47347 
1 1 1   22   17    7 f   49.344   14.384   22.663   33.487   6.6313   79.596   26.111   36.913   54.322   23.259   44.367   16.930 9.954849 28.76801 
1 1 1   22   17    9 o  121.372   22.783  308.057   94.778  304.366  114.223  316.217  169.817  122.707   27.064  120.037   36.659 2.670181 45.56650 
1 1 1   22   17   11 o   63.407   18.261   48.396   51.768   48.625   56.637   47.234  127.619   56.098   21.071   70.715   29.830 -14.61772 36.52158 
1 1 1   22   17   13 o   69.061   18.863   80.705   57.649   90.301   63.559   36.182  136.905   68.320   22.610   69.802   30.200 -1.482071 37.72617 
1 1 1   22   18    0 o  130.315   21.693  310.565   94.563  233.953  114.684  473.284  167.137  107.916   29.309  152.714   31.990 -44.79826 43.38631 
1 1 1   22   18    2 o  143.881   16.768  390.013   79.877  417.943  134.198  374.690   99.402  145.544   27.084  142.217   19.775 3.327667 33.53536 
1 1 1   22   18    4 o   76.674   16.945  111.531   49.370  112.789   84.507  110.879   60.831   77.584   26.080   75.763   21.641 1.820374 33.88958 
1 1 1   22   18    6 o   80.116   16.149  112.292   48.659  189.447   80.257   67.447   61.187   97.736   23.518   62.496   22.137 35.24025 32.29784 
1 1 1   22   18    8 o  113.506   20.936  216.073   75.385  158.216   85.569  416.661  159.328   88.289   25.800  138.723   32.979 -50.43491 41.87217 
1 1 1   22   18   10 o   58.416   14.307   59.213   38.355   21.230   58.284   88.225   50.938   49.617   20.485   67.214   19.978 -17.59650 28.61371 
1 1 1   22   18   12 o   39.370   14.922 -51.3400   15.764   21.934   28.550 -83.4756   18.907   39.370   14.922  ?   ?       ?      ? 
1 1 1   22   19    1 o  163.293   14.630  498.052   80.935  511.553  135.546  490.572  100.897  163.627   23.438  162.958   17.518 0.6683350 29.26077 
1 1 1   22   19    3 o   49.128   15.936 -11.7411   37.648 -12.6721   39.657  -3.2404  119.826   35.310   15.728   62.946   27.722 -27.63592 31.87281 
1 1 1   22   19    5 f   88.805   15.411  151.389   47.964  200.154   74.775  117.298   62.520  100.612   21.668   76.997   21.920 23.61500 30.82203 
1 1 1   22   19    7 o   74.338   15.696  110.359   44.438  102.244   66.080  117.059   60.042   72.071   22.997   76.605   21.368 -4.534309 31.39165 
1 1 1   22   19    9 o   16.728   6.0680 -28.2532   9.3960 -62.2570   28.898 -24.2335   9.9359   21.343   10.540   12.112   6.0163 9.230639 12.13599 
1 1 1   22   19   11 o   81.185   15.193  130.981   46.416  196.164   69.165   77.569   62.609   98.588   20.517   63.783   22.413 34.80476 30.38552 
1 1 1   22   20    0 o  168.752   14.388  537.531   82.849  556.391  136.663  526.573  104.174  169.554   22.805  167.950   17.549 1.603897 28.77548 
1 1 1   22   20    2 f   78.670   16.170  124.668   47.401  116.313   74.156  130.440   61.637   76.450   24.358   80.890   21.274 -4.440208 32.34053 
1 1 1   22   20    4 o   79.559   15.321  113.161   47.185  207.132   75.217   52.183   60.591  101.712   21.591   57.406   21.742 44.30587 30.64139 
1 1 1   22   20    6 o   88.530   16.095  161.286   50.412  158.518   76.368  163.424   67.113   87.288   24.005   89.772   21.446 -2.484062 32.18930 
1 1 1   22   20    8 o   46.829   18.453   28.875   44.930   0.0000   0.0000   28.875   44.930  ?   ?    46.829   18.453      ?      ? 
1 1 1   22   21    1 f   63.095   14.920   75.568   38.839   83.194   59.101   69.772   51.527   65.494   21.809   60.695   20.365 4.799133 29.83903 
1 1 1   22   21    3 o  126.785   23.118  329.146   99.778   0.0000   0.0000  329.146   99.778  ?   ?   126.785   23.118      ?      ? 
1 1 1   23    0    1 o   69.339   15.120  106.706   45.851  106.706   45.851  106.706   45.851   69.339   21.383   69.339   21.383 -0.000000 0.000000 
1 1 1   23    0    3 o  412.650   18.446  3093.94  376.985  3093.94  376.985  3093.94  376.985  412.650   26.087  412.650   26.087 -0.000000 0.000000 
1 1 1   23    0    5 o  462.836   13.405  3838.75  308.947  3838.75  308.947  3838.75  308.947  462.836   18.958  462.836   18.958 -0.000000 0.000000 
1 1 1   23    0    7 o   99.378   20.941  218.217   90.552  218.217   90.552  218.217   90.552   99.378   29.615   99.378   29.615 -0.000000 0.000000 
1 1 1   23    0    9 o  415.328   13.098  3094.82  270.682  3094.82  270.682  3094.82  270.682  415.328   18.523  415.328   18.523 -0.000000 0.000000 
1 1 1   23    0   11 o  385.988   12.774  2675.45  245.224  2675.45  245.224  2675.45  245.224  385.988   18.065  385.988   18.065 -0.000000 0.000000 
1 1 1   23    0   13 o   23.692   11.052  -7.0034   33.691  -7.0034   33.691  -7.0034   33.691   23.692   15.630   23.692   15.630 -0.000000 0.000000 
1 1 1   23    0   15 o  355.194   12.821  2272.77  226.279  2272.77  226.279  2272.77  226.279  355.194   18.132  355.194   18.132 -0.000000 0.000000 
1 1 1   23    0   17 o  223.186   12.453  907.496  136.930  907.496  136.930  907.496  136.930  223.186   17.611  223.186   17.611 -0.000000 0.000000 
1 1 1   23    0   19 o   98.776   18.374  208.583   78.378  208.583   78.378  208.583   78.378   98.776   25.984   98.776   25.984 -0.000000 0.000000 
1 1 1   23    0   21 o  ?   ?  -71.4921   15.201 -71.4921   15.201 -71.4921   15.201  ?   ?   ?   ?  -0.000000 0.000000 
1 1 1   23    0   23 o   76.448   21.732  150.361   80.828  150.361   80.828  150.361   80.828   76.448   30.733   76.448   30.733 -0.000000 0.000000 
1 1 1   23    0   25 o  147.406   15.870  427.121  108.892  427.121  108.892  427.121  108.892  147.406   22.444  147.406   22.444 -0.000000 0.000000 
1 1 1   23    1    0 o  165.890   10.769  491.577   63.133  485.023   89.386  498.100   89.182  164.773   15.348  167.007   15.109 -2.234268 21.53703 
1 1 1   23    1    2 o  308.211   11.865  1704.33  128.886  1559.39  182.268  1849.30  182.276  294.905   17.487  321.518   16.040 -26.61292 23.72901 
1 1 1   23    1    4 o  112.002   11.441  224.571   45.279  224.181   64.669  224.946   63.419  111.891   16.352  112.113   16.005 -0.2216034 22.88111 
1 1 1   23    1    6 o  110.734   24.859  231.900   94.910  231.900   94.910   0.0000   0.0000  110.734   24.859  ?   ?       ?      ? 
1 1 1   23    1    8 o  123.671   11.995  277.140   51.772  230.155   73.876  322.482   72.574  113.093   18.482  134.248   15.295 -21.15536 23.99015 
1 1 1   23    1   10 o  350.236   14.729  2152.78  173.362  2440.38  302.796  2012.54  211.448  366.007   23.407  334.466   17.887 31.54126 29.45864 
1 1 1   23    1   12 o  195.763   11.699  688.893   80.928  683.490  115.464  694.110  113.460  194.966   16.756  196.559   16.332 -1.593246 23.39839 
1 1 1   23    1   14 o  222.330   11.659  889.689   91.615  887.795  130.207  891.546  128.928  222.071   16.589  222.589   16.388 -0.5178223 23.31871 
1 1 1   23    1   16 o   55.907   14.207   48.159   36.403   29.853   54.306   63.097   49.057   51.727   20.318   60.088   19.863 -8.361221 28.41368 
1 1 1   23    1   18 o  179.485   14.305  576.162   87.729  538.699  109.329  643.903  147.012  172.148   17.969  186.822   22.264 -14.67453 28.61044 
1 1 1   23    1   20 f  127.794   16.086  306.913   68.456  301.124   86.046  316.894  112.993  128.104   19.004  127.484   25.959 0.6196442 32.17175 
1 1 1   23    1   22 o  109.823   16.336  236.455   61.355  217.485   88.652  253.896   85.002  104.964   24.365  114.682   21.767 -9.718315 32.67192 
1 1 1   23    1   24 o   54.417   15.784   27.637   48.786   39.436   67.602   14.813   70.475   56.506   22.517   52.327   22.125 4.178505 31.56846 
1 1 1   23    1   26 o   49.614   14.109   3.4038   39.325 -35.7439   48.892   75.139   66.184   35.269   16.370   63.959   22.984 -28.68937 28.21750 
1 1 1   23    2    1 o  216.819   11.218  841.034   85.913  806.169  121.495  875.904  121.503  212.269   16.194  221.369   15.529 -9.099777 22.43655 
1 1 1   23    2    3 o  139.640   10.759  349.284   52.860  389.171   75.057  310.031   74.458  147.651   14.382  131.629   16.004 16.02229 21.51735 
1 1 1   23    2    5 o  127.646   14.380  297.943   58.893  299.743  103.731  297.087   71.541  126.440   24.091  128.852   15.709 -2.411247 28.76034 
1 1 1   23    2    7 o  120.883   13.447  246.770   55.189  207.800   67.522  325.206   95.793  107.547   17.763  134.220   20.193 -26.67345 26.89398 
1 1 1   23    2    9 o  120.349   15.117  259.273   58.866  288.903  104.973  245.682   71.096  123.738   24.865  116.960   17.198 6.777641 30.23350 
1 1 1   23    2   11 o  106.289   13.209  209.299   47.963  173.643   68.533  243.531   67.149   96.121   20.778  116.458   16.314 -20.33669 26.41721 
1 1 1   23    2   13 o  146.781   11.886  387.107   61.604  410.103   89.124  366.069   85.246  150.964   16.703  142.597   16.914 8.367249 23.77140 
1 1 1   23    2   15 o  109.397   14.410  224.199   53.602  225.010   77.897  223.469   73.873  109.447   20.899  109.347   19.845 0.1007538 28.82025 
1 1 1   23    2   17 o  133.631   13.839  325.795   65.281  322.034   94.351  329.249   90.418  132.776   20.105  134.485   19.022 -1.708771 27.67770 
1 1 1   23    2   19 o   78.495   15.761  116.971   45.758  126.062   66.516  108.804   63.046   81.180   22.435   75.810   22.144 5.370110 31.52261 
1 1 1   23    2   21 o  123.790   14.592  290.456   61.836  262.900   90.192  314.897   84.942  116.720   22.680  130.860   18.365 -14.14051 29.18312 
1 1 1   23    2   23 o   66.424   19.380   45.418   61.203   61.634  138.900   41.511   68.179   75.407   31.418   57.441   22.700 17.96644 38.76040 
1 1 1   23    2   25 o   42.228   13.109  -7.0327   37.965   10.534   48.588 -34.5712   60.835   43.890   18.454   40.566   18.623 3.323513 26.21775 
1 1 1   23    3    0 o  222.324   11.223  884.043   88.174  866.807  124.924  901.154  124.471  220.134   16.056  224.515   15.686 -4.380615 22.44624 
1 1 1   23    3    2 o  114.530   11.223  235.209   45.290  215.410   64.313  254.686   63.789  109.672   16.591  119.387   15.117 -9.714188 22.44553 
1 1 1   23    3    4 o  207.549   13.470  755.142   93.259  835.896  164.701  717.032  113.145  214.955   21.678  200.144   15.995 14.81125 26.94034 
1 1 1   23    3    6 o  315.063   12.163  1787.51  134.691  1573.85  190.459  2001.26  190.506  295.873   18.213  334.253   16.126 -38.38062 24.32564 
1 1 1   23    3    8 o   91.953   17.266  161.865   58.113  196.725   78.709  120.089   86.164  102.235   22.401   81.672   26.281 20.56313 34.53269 
1 1 1   23    3   10 o  137.107   12.390  338.118   59.322  410.024   86.050  272.990   81.894  151.186   16.103  123.027   18.833 28.15969 24.77939 
1 1 1   23    3   12 o  161.185   12.127  467.571   68.999  500.377   98.636  436.134   96.557  166.792   16.732  155.579   17.559 11.21262 24.25465 
1 1 1   23    3   14 o  102.557   14.417  199.436   50.826  149.340   73.864  244.484   70.044   88.662   23.275  116.452   17.018 -27.79084 28.83300 
1 1 1   23    3   16 o  152.342   12.542  421.239   67.347  389.907   95.919  451.704   94.581  146.577   18.515  158.107   16.925 -11.52962 25.08492 
1 1 1   23    3   18 o   68.919   14.992   86.531   41.083  112.952   58.168   60.234   58.033   77.111   20.845   60.727   21.554 16.38472 29.98429 
1 1 1   23    3   20 o   73.309   16.167   94.249   55.213  166.575   71.232 -14.6040   87.388   92.888   22.030   53.730   23.668 39.15754 32.33451 
1 1 1   23    3   22 o   63.736   16.985   57.264   50.221   86.389   85.357   41.845   62.108   71.276   26.030   56.195   21.825 15.08161 33.96914 
1 1 1   23    3   24 o   68.354   18.496   75.468   62.825   91.348   86.708   57.917   91.155   71.436   26.213   65.273   26.102 6.162155 36.99255 
1 1 1   23    3   26 o   72.433   18.361  101.699   58.863  110.985   92.769   95.441   76.158   74.872   27.168   69.995   24.707 4.876450 36.72292 
1 1 1   23    4    1 o  240.559   11.520  1035.81   97.941  1049.11  139.061  1022.72  137.964  242.099   16.251  239.019   16.331 3.079575 23.03938 
1 1 1   23    4    3 o  287.407   11.551  1479.89  117.207  1568.61  166.458  1392.64  165.062  296.052   15.908  278.762   16.753 17.29007 23.10255 
1 1 1   23    4    5 o  150.449   14.294  416.533   71.439  434.004   88.356  383.549  121.400  155.673   16.058  145.226   23.651 10.44643 28.58764 
1 1 1   23    4    7 o  263.276   11.824  1246.80  109.543  1114.72  154.946  1378.78  154.887  249.087   17.600  277.465   15.794 -28.37859 23.64742 
1 1 1   23    4    9 o  173.583   14.170  565.263   80.883  482.536  136.861  609.664  100.267  162.657   23.806  184.509   15.375 -21.85208 28.33946 
1 1 1   23    4   11 o  161.876   11.959  472.655   68.222  441.852   97.910  501.723   95.113  156.603   17.689  167.150   16.099 -10.54750 23.91863 
1 1 1   23    4   13 o  221.771   11.857  886.141   92.866  873.004  133.424  898.485  129.336  220.080   17.153  223.462   16.375 -3.381989 23.71438 
1 1 1   23    4   15 o   81.935   15.406  128.033   45.963  101.568   66.801  151.826   63.339   74.279   23.044   89.592   20.453 -15.31311 30.81106 
1 1 1   23    4   17 o   53.463   13.345   42.838   32.643   19.189   45.772   67.314   46.566   45.909   18.448   61.016   19.287 -15.10742 26.68928 
1 1 1   23    4   19 o   69.647   16.461   87.250   45.606   92.789   54.344   74.059   83.861   70.192   20.575   69.101   25.702 1.091202 32.92278 
1 1 1   23    4   21 o   80.144   19.240  116.321   70.155  173.396   92.252   38.047  108.035   93.430   26.637   66.857   27.769 26.57360 38.47952 
1 1 1   23    4   23 f   69.891   16.519   88.780   49.116   58.382   67.739  122.477   71.321   61.070   23.023   78.713   23.695 -17.64274 33.03802 
1 1 1   23    4   25 o   68.549   18.540   69.310   62.208   33.939   78.823  127.723  101.294   57.435   23.776   79.663   28.454 -22.22829 37.08063 
1 1 1   23    5    0 o  144.813   14.691  416.369   65.327  299.205  111.249  478.031   80.706  125.936   25.859  163.691   13.950 -37.75497 29.38194 
1 1 1   23    5    2 o  251.573   14.248  1175.49  117.549  1043.48  202.482  1242.59  144.367  239.568   23.913  263.577   15.497 -24.00920 28.49544 
1 1 1   23    5    4 o   96.905   16.948  172.737   57.792  221.747   88.487  136.280   76.318  108.444   23.744   85.366   24.190 23.07838 33.89590 
1 1 1   23    5    6 o   80.164   13.190  119.262   36.646  135.603   54.178  105.479   49.755   85.226   18.515   75.101   18.791 10.12511 26.37992 
1 1 1   23    5    8 o  164.244   18.462  504.176  103.017  482.759  157.770  520.094  136.016  159.375   29.080  169.113   22.756 -9.737869 36.92490 
1 1 1   23    5   10 o  272.800   12.052  1338.35  116.172  1383.44  165.650  1294.70  162.968  277.362   16.898  268.238   17.189 9.124054 24.10401 
1 1 1   23    5   12 o  138.219   12.905  349.754   62.143  301.583   91.306  391.324   84.819  128.925   20.037  147.514   16.268 -18.58975 25.80996 
1 1 1   23    5   14 o  252.213   14.601  1195.01  121.394  1050.46  206.109  1271.79  150.213  238.641   24.436  265.785   15.990 -27.14407 29.20289 
1 1 1   23    5   16 o  124.743   12.866  283.666   56.495  265.882   81.821  299.869   78.102  120.808   19.162  128.677   17.173 -7.868965 25.73113 
1 1 1   23    5   18 o  155.931   18.070  464.772   84.452  459.829  164.423  466.543   98.427  151.745   31.680  160.118   17.392 -8.373398 36.14014 
1 1 1   23    5   20 o   63.159   15.940   67.191   44.352   51.158   74.725   75.912   55.108   61.763   23.953   64.554   21.038 -2.791039 31.88028 
1 1 1   23    5   22 o  102.839   17.900  211.026   63.895  223.136   99.575  202.549   83.309  104.752   26.789  100.925   23.750 3.826164 35.80101 
1 1 1   23    5   24 o   80.596   26.165  132.015   85.265  132.015   85.265   0.0000   0.0000   80.596   26.165  ?   ?       ?      ? 
1 1 1   23    5   26 o   49.256   15.549  -5.5877   48.202  -9.3525   55.671   5.6875   96.342   42.138   18.709   56.374   24.841 -14.23641 31.09847 
1 1 1   23    6    1 o  174.155   11.251  546.409   68.761  483.026   98.723  606.129   95.828  164.123   17.019  184.188   14.720 -20.06502 22.50162 
1 1 1   23    6    3 o  228.584   15.645  983.734  112.795  860.818  206.638  1035.90  134.620  216.626   26.989  240.542   15.834 -23.91649 31.29067 
1 1 1   23    6    5 o  138.330   11.262  342.529   54.862  345.601   81.263  339.956   74.369  138.824   16.562  137.836   15.265 0.9876862 22.52383 
1 1 1   23    6    7 o   92.813   16.857  108.068   48.966  291.008  112.087   64.921   54.435  123.751   26.430   61.875   20.931 61.87569 33.71396 
1 1 1   23    6    9 o   83.982   15.539  128.480   45.100  116.533   55.960  150.624   76.184   78.748   20.052   89.216   23.742 -10.46815 31.07715 
1 1 1   23    6   11 o  250.891   14.337  1158.23  120.001  1092.02  203.466  1193.55  148.596  244.151   23.578  257.631   16.319 -13.47980 28.67482 
1 1 1   23    6   13 o  145.406   11.929  381.900   61.194  358.648   87.056  404.610   86.035  140.917   17.479  149.895   16.239 -8.978287 23.85854 
1 1 1   23    6   15 o   83.899   14.952  134.749   45.060  166.667   62.799  100.879   64.692   94.027   19.535   73.772   22.642 20.25536 29.90462 
1 1 1   23    6   17 o  131.694   15.274  330.070   67.105  298.214  105.702  351.578   86.852  124.385   24.912  139.003   17.678 -14.61847 30.54716 
1 1 1   23    6   19 o   50.921   12.877   27.130   34.496   77.542   47.166 -30.8505   50.583   64.383   19.244   37.458   17.116 26.92587 25.75406 
1 1 1   23    6   21 o   81.803   17.772   97.429   55.186   47.087   65.104  225.940  104.019   58.143   22.411  105.463   27.589 -47.31945 35.54455 
1 1 1   23    6   23 o   40.791   13.458 -16.8694   32.960  -9.5902   35.193 -68.8248   94.022   33.588   14.896   47.995   22.418 -14.40688 26.91549 
1 1 1   23    6   25 o   88.891   20.255  175.669   71.732  190.963   86.296  141.475  129.034   94.849   25.282   82.934   31.653 11.91503 40.51019 
1 1 1   23    7    0 o  274.466   11.507  1351.64  111.434  1291.97  159.895  1407.99  155.384  268.432   16.853  280.499   15.673 -12.06601 23.01463 
1 1 1   23    7    2 o  504.397   18.598  4830.65  303.562  4193.34  530.375  5141.14  370.195  474.804   31.604  533.990   19.614 -59.18652 37.19639 
1 1 1   23    7    4 o  422.597   12.915  3230.19  191.437  2792.28  271.681  3662.03  269.793  393.455   19.536  451.738   16.898 -58.28281 25.83016 
1 1 1   23    7    6 o  100.378   12.945  186.307   44.512  166.835   65.517  203.001   60.662   94.356   20.251  106.401   16.131 -12.04453 25.89048 
1 1 1   23    7    8 o  137.721   13.273  355.358   60.904  264.463   87.920  439.216   84.448  118.909   21.720  156.534   15.264 -37.62514 26.54696 
1 1 1   23    7   10 o  150.743   23.181  415.754  123.509   0.0000   0.0000  415.754  123.509  ?   ?   150.743   23.181      ?      ? 
1 1 1   23    7   12 o  116.729   17.068  245.872   67.025  190.136   84.965  337.697  109.057   99.732   24.322  133.727   23.953 -33.99483 34.13671 
1 1 1   23    7   14 o  126.535   15.121  315.529   62.042  232.374   98.364  370.469   79.952  109.715   25.799  143.356   15.780 -33.64091 30.24242 
1 1 1   23    7   16 o   84.650   17.296  135.894   54.181  128.838   71.297  145.538   83.353   82.175   23.414   87.126   25.465 -4.951523 34.59275 
1 1 1   23    7   18 o  181.847   15.958  616.078  101.382  501.667  139.654  743.554  147.412  163.299   24.196  200.394   20.813 -37.09441 31.91592 
1 1 1   23    7   20 f   38.350   12.475 -21.7122   30.496 -21.1159   33.928 -24.2215   69.592   30.698   14.023   46.002   20.637 -15.30421 24.95062 
1 1 1   23    7   22 o   51.079   15.023   22.913   42.048   33.830   48.922  -7.9556   82.262   50.082   19.392   52.076   22.950 -1.994457 30.04631 
1 1 1   23    7   24 o  183.909   15.451  639.333   92.862  598.030  110.685  737.511  170.650  177.529   17.640  190.289   25.373 -12.75975 30.90240 
1 1 1   23    8    1 o  160.291   11.175  458.946   63.227  483.129   92.394  437.647   86.710  164.237   15.917  156.345   15.692 7.892517 22.35097 
1 1 1   23    8    3 o  207.562   13.457  747.428   95.212  674.449  117.640  886.010  162.110  193.799   17.174  221.324   20.723 -27.52527 26.91498 
1 1 1   23    8    5 o  440.311   16.636  3728.85  235.994  3005.12  405.900  4098.42  290.057  403.081   28.491  477.542   17.185 -74.46091 33.27253 
1 1 1   23    8    7 o  237.453   14.448  1065.71  112.427  892.985  190.199  1158.48  139.385  220.761   24.376  254.145   15.517 -33.38374 28.89604 
1 1 1   23    8    9 o   49.415   13.113   31.601   31.561   47.012   44.746   16.343   44.522   53.994   18.949   44.837   18.132 9.156498 26.22641 
1 1 1   23    8   11 o  118.423   16.483  261.186   67.609  220.897   93.230  305.876   98.189  107.402   25.024  129.445   21.462 -22.04242 32.96661 
1 1 1   23    8   13 o   69.971   23.599   85.739   69.197   0.0000   0.0000   85.739   69.197  ?   ?    69.971   23.599      ?      ? 
1 1 1   23    8   15 o  354.733   17.135  2354.33  211.874  1906.74  296.665  2820.30  302.697  318.487   26.354  390.978   21.905 -72.49054 34.26910 
1 1 1   23    8   19 o   65.595   17.075   61.023   45.536   50.217   51.906   97.127   94.876   55.994   20.322   75.195   27.446 -19.20054 34.15043 
1 1 1   23    8   21 o  105.681   17.290  200.020   58.090  165.626   67.823  294.722  112.544   91.613   21.342  119.748   27.209 -28.13531 34.58089 
1 1 1   23    8   23 o  114.988   13.845  237.552   52.285  114.716   65.905  446.166   85.887   75.348   22.799  154.627   15.715 -79.27885 27.69023 
1 1 1   23    9    0 o  136.831   22.030  339.602  106.541   0.0000   0.0000  339.602  106.541  ?   ?   136.831   22.030      ?      ? 
1 1 1   23    9    2 o   77.242   25.992  103.701   83.935   0.0000   0.0000  103.701   83.935  ?   ?    77.242   25.992      ?      ? 
1 1 1   23    9    4 o  113.728   17.799  232.882   71.544   0.0000   0.0000  232.882   71.544  ?   ?   113.728   17.799      ?      ? 
1 1 1   23    9    6 o  266.081   16.455  1296.30  154.128  1162.99  217.343  1431.16  218.602  251.850   24.417  280.313   22.064 -28.46303 32.90903 
1 1 1   23    9    8 o  134.530   16.787  336.710   77.803  296.522  108.333  379.519  111.811  124.818   25.420  144.242   21.932 -19.42361 33.57328 
1 1 1   23    9   10 o  101.352   15.781  188.879   58.844   86.983   79.992  309.042   86.867   72.126   25.335  130.577   18.822 -58.45055 31.56132 
1 1 1   23    9   12 o   86.109   17.098  142.221   54.840  166.315   74.824  114.256   80.610   93.275   22.872   78.944   25.422 14.33104 34.19609 
1 1 1   23    9   14 o   58.456   14.798   54.554   39.575   71.815   50.708   27.658   63.296   63.037   20.148   53.874   21.677 9.163441 29.59502 
1 1 1   23    9   16 o  112.305   14.246  240.840   53.657  141.100   73.984  351.515   77.934   85.437   23.680  139.173   15.844 -53.73564 28.49137 
1 1 1   23    9   18 o  114.495   14.004  248.395   53.584  155.198   72.920  357.791   79.003   89.025   23.008  139.966   15.970 -50.94119 28.00734 
1 1 1   23    9   20 o  103.848   15.652  209.441   55.501  178.078   73.864  250.109   84.112   94.741   22.410  112.954   21.859 -18.21358 31.30479 
1 1 1   23    9   22 o  133.252   16.549  387.671   70.953  221.962  108.890  509.943   93.536  101.217   28.968  165.286   16.011 -64.06871 33.09878 
1 1 1   23   10    1 o  191.875   22.853  670.453  154.981   0.0000   0.0000  670.453  154.981  ?   ?   191.875   22.853      ?      ? 
1 1 1   23   10    3 o  347.012   24.783  2208.55  303.962   0.0000   0.0000  2208.55  303.962  ?   ?   347.012   24.783      ?      ? 
1 1 1   23   10    5 o  187.071   22.820  639.212  150.885   0.0000   0.0000  639.212  150.885  ?   ?   187.071   22.820      ?      ? 
1 1 1   23   10    7 o   54.694   15.968   24.088   41.014   14.452   96.354   26.221   45.325   61.581   25.945   47.806   18.623 13.77487 31.93678 
1 1 1   23   10   11 o  138.838   25.025  367.488  118.286   0.0000   0.0000  367.488  118.286  ?   ?   138.838   25.025      ?      ? 
1 1 1   23   10   13 o   75.186   17.595  106.526   53.788   44.985  107.064  127.303   62.208   68.702   27.994   81.669   21.322 -12.96748 35.18904 
1 1 1   23   10   15 o  116.774   18.504  268.357   70.838  247.548  128.697  277.402   84.848  110.771   31.421  122.776   19.553 -12.00501 37.00770 
1 1 1   23   10   17 o   52.015   15.492   19.105   41.537  -0.0009   92.070   23.988   46.543   56.923   24.697   47.106   18.712 9.816891 30.98484 
1 1 1   23   10   19 o   53.365   16.041   13.118   52.591 -12.5178   85.395   28.783   66.752   52.566   23.263   54.164   22.091 -1.598007 32.08113 
1 1 1   23   10   21 o   56.555   15.522   28.232   49.327 -34.9733   69.394   92.784   70.130   43.647   19.983   69.463   23.756 -25.81580 31.04320 
1 1 1   23   11    0 o  125.152   24.369  295.794  103.918   0.0000   0.0000  295.794  103.918  ?   ?   125.152   24.369      ?      ? 
1 1 1   23   11    2 o  136.362   20.173  372.366   94.162  254.700  146.378  455.428  122.985  114.610   33.817  158.114   22.007 -43.50397 40.34696 
1 1 1   23   11    4 o  167.650   17.373  511.208  101.999  556.612  157.475  478.393  133.877  173.703   25.650  161.597   23.440 12.10590 34.74677 
1 1 1   23   11    6 o   78.016   20.562   83.066   80.390   9.7576  119.080  144.454  108.968   66.883   28.538   89.149   29.610 -22.26631 41.12342 
1 1 1   23   11    8 o   77.803   22.000  114.001   63.195   0.0000   0.0000  114.001   63.195  ?   ?    77.803   22.000      ?      ? 
1 1 1   23   11   10 o  121.672   18.575  262.921   69.267  338.287  139.916  238.453   79.722  130.847   30.771  112.497   20.817 18.34978 37.15059 
1 1 1   23   11   12 o  146.216   17.857  389.296   92.284   0.0000   0.0000  389.296   92.284  ?   ?   146.216   17.857      ?      ? 
1 1 1   23   11   14 o   92.081   18.424  173.021   59.892  123.877  118.615  189.838   69.387   84.407   30.706   99.755   20.369 -15.34769 36.84799 
1 1 1   23   11   16 o   97.047   21.466  188.183   83.681  237.728  117.871  137.835  118.822  107.832   29.890   86.263   30.817 21.56843 42.93160 
1 1 1   23   11   18 o   61.772   17.218   49.686   53.333   64.265   89.749   41.728   66.312   66.686   26.142   56.858   22.414 9.828159 34.43532 
1 1 1   23   11   20 o  106.728   19.140  234.783   71.126  277.322  113.622  207.372   91.207  113.822   28.350   99.633   25.723 14.18899 38.28046 
1 1 1   23   11   22 o  100.324   18.158  221.945   68.655  130.658   99.585  304.632   94.778   78.919   28.211  121.729   22.869 -42.81010 36.31556 
1 1 1   23   12    1 o  315.500   18.419  1853.18  202.343  1500.20  285.793  2207.95  286.520  283.783   28.493  347.217   23.347 -63.43359 36.83699 
1 1 1   23   12    3 o  348.050   15.933  2243.54  181.786  2138.86  319.281  2293.75  221.127  339.632   26.598  356.468   17.551 -16.83667 31.86657 
1 1 1   23   12    5 o   96.828   16.846  125.946   54.496  324.831  112.175   64.506   62.348  130.595   25.216   63.061   22.345 67.53339 33.69173 
1 1 1   23   12    7 o  201.017   16.886  772.351  106.725  685.424  196.506  808.719  127.105  190.548   29.178  211.485   17.004 -20.93686 33.77109 
1 1 1   23   12    9 o  102.180   18.993  217.800   68.743  137.413  126.285  251.650   81.949   88.802   31.766  115.558   20.830 -26.75686 37.98626 
1 1 1   23   12   11 o  145.601   18.774  429.717   85.142  349.230  152.107  466.441  102.747  131.335   32.851  159.868   18.184 -28.53308 37.54815 
1 1 1   23   12   13 o  203.165   18.092  756.767  129.914   0.0000   0.0000  756.767  129.914  ?   ?   203.165   18.092      ?      ? 
1 1 1   23   12   15 o   75.984   14.205  116.895   53.792 -112.8376  104.687  199.313   62.703   47.829   22.737  104.139   17.036 -56.30952 28.41057 
1 1 1   23   12   17 o  109.079   18.556  223.209   69.023  334.094  117.866  165.338   85.150  127.904   26.924   90.254   25.543 37.65057 37.11271 
1 1 1   23   12   19 o   73.064   17.074   44.891   58.992 -44.2005   72.094  225.405  102.622   43.373   20.042  102.754   27.649 -59.38186 34.14877 
1 1 1   23   13    0 o  306.790   17.999  1740.31  195.031  1695.85  278.402  1783.15  273.299  302.635   26.028  310.945   24.868 -8.310120 35.99764 
1 1 1   23   13    2 o  313.717   18.267  1825.83  202.153  1690.84  284.623  1963.23  287.168  301.502   26.709  325.931   24.928 -24.42923 36.53474 
1 1 1   23   13    4 o  192.734   19.018  692.657  129.400  647.734  179.706  741.032  186.481  186.087   27.323  199.380   26.463 -13.29265 38.03691 
1 1 1   23   13    6 o  157.730   20.823  477.620  112.819  378.046  154.846  590.285  164.710  137.816   32.345  177.645   26.233 -39.82896 41.64558 
1 1 1   23   13    8 o   69.102   17.280   82.875   51.615   24.557  103.676  102.093   59.515   64.576   27.044   73.628   21.517 -9.051270 34.55962 
1 1 1   23   13   10 o   73.948   18.303   96.564   57.094   68.602  105.470  108.155   67.903   72.152   28.323   75.745   23.189 -3.592743 36.60509 
1 1 1   23   13   12 o  101.563   18.646  197.397   70.635  298.194  105.503  115.513   95.091  123.467   25.033   79.659   27.642 43.80832 37.29300 
1 1 1   23   13   14 o  162.505   15.683  488.427   86.223  540.584  147.305  461.243  106.345  167.561   24.873  157.449   19.110 10.11180 31.36615 
1 1 1   23   13   16 o   74.177   17.269  103.541   51.829  127.303   81.502   87.406   67.158   79.990   25.541   68.364   23.248 11.62672 34.53740 
1 1 1   23   13   18 o   66.194   16.630   67.518   51.237  133.373   79.564   20.858   66.972   80.510   25.177   51.878   21.732 28.63167 33.25903 
1 1 1   23   14    1 o  128.094   23.105  325.439  105.240  363.174  150.668  289.489  147.062  135.496   31.976  120.692   33.361 14.80381 46.21091 
1 1 1   23   14    3 o  317.927   18.383  1889.37  205.641  1673.15  287.612  2115.51  294.139  298.446   27.266  337.408   24.665 -38.96201 36.76662 
1 1 1   23   14    5 o   98.279   22.388  186.442   89.689  219.535  120.115  144.740  134.837  105.568   30.487   90.990   32.794 14.57805 44.77637 
1 1 1   23   14    7 o   77.101   20.638   75.274   78.323   24.557  101.668  149.321  122.845   63.913   26.775   90.288   31.413 -26.37516 41.27570 
1 1 1   23   14    9 o   89.444   19.869  107.023   80.015  -9.7886  102.312  290.987  128.396   58.779   25.758  120.110   30.259 -61.33083 39.73764 
1 1 1   23   14   11 o   76.881   19.443   87.662   78.702  178.605   99.397 -65.1755  128.855   94.611   27.852   59.151   27.136 35.46009 38.88553 
1 1 1   23   14   13 o  105.430   26.087  224.750   96.680   0.0000   0.0000  224.750   96.680  ?   ?   105.430   26.087      ?      ? 
1 1 1   23   14   15 o   76.110   17.411  108.405   51.588  140.831   87.420   91.081   63.900   83.293   26.437   68.926   22.664 14.36721 34.82215 
1 1 1   23   14   17 o   85.976   17.335  149.479   55.132  189.821   85.301  120.536   72.252   95.125   25.032   76.828   23.987 18.29750 34.66935 
1 1 1   23   15    0 o  272.846   13.939  1298.00  127.238  1556.12  226.481  1178.96  153.804  290.629   22.048  255.064   17.061 35.56544 27.87817 
1 1 1   23   15    2 o  178.011   19.135  655.982  101.903  483.741  181.799  734.891  123.051  154.863   34.134  201.159   17.307 -46.29611 38.27065 
1 1 1   23   15    4 o  157.441   14.358  434.573   73.599  512.421  137.596  403.373   87.108  165.809   23.479  149.073   16.532 16.73584 28.71542 
1 1 1   23   15    6 o  142.928   21.933  404.171  107.363  337.528  143.042  490.151  162.474  129.039   31.613  156.817   30.411 -27.77821 43.86574 
1 1 1   23   15    8 o   50.504   16.428 -57.1432   61.404 -73.8002   73.716 -19.3914  110.977   41.335   19.478   59.674   26.459 -18.33852 32.85518 
1 1 1   23   15   10 o   63.757   18.517   30.084   71.617   85.936   87.255 -85.2185  125.368   71.434   26.283   56.079   26.090 15.35423 37.03388 
1 1 1   23   15   12 o   82.626   18.410  130.346   69.686  216.671   91.732   12.543  107.159  103.386   25.308   61.867   26.743 41.51933 36.81948 
1 1 1   23   15   14 o   66.881   26.763   63.915   95.902   0.0000   0.0000   63.915   95.902  ?   ?    66.881   26.763      ?      ? 
1 1 1   23   15   16 o   63.960   16.401   1.9405   43.527 -39.0019   47.980  192.277  103.452   34.340   16.031   93.579   28.618 -59.23904 32.80260 
1 1 1   23   16    1 o   34.776   11.796  -9.3756   19.956 -110.4717   87.942  -3.8870   20.491   43.009   20.554   26.542   11.582 16.46688 23.59274 
1 1 1   23   16    3 o  200.284   14.801  718.200   99.361  823.568  174.627  667.757  120.826  209.533   23.580  191.034   17.895 18.49936 29.60115 
1 1 1   23   16    5 o  198.345   15.695  776.731  100.939  614.409  169.488  865.949  125.654  178.821   26.816  217.870   16.318 -39.04875 31.39086 
1 1 1   23   16    7 o   49.976   14.580   20.357   39.326   12.366   71.468   23.828   47.098   52.745   22.290   47.207   18.800 5.537979 29.15983 
1 1 1   23   16    9 o   24.616   8.9081 -28.1965   15.113 -185.8866   71.417 -20.8034   15.464   31.184   15.590   18.049   8.6239 13.13481 17.81629 
1 1 1   23   16   11 o   60.189   17.371   19.963   67.623   93.337   79.359 -174.5348  129.207   71.049   25.206   49.328   23.909 21.72048 34.74149 
1 1 1   23   16   13 o  102.737   26.750  223.907   98.089  223.907   98.089   0.0000   0.0000  102.737   26.750  ?   ?       ?      ? 
1 1 1   23   16   15 o   53.867   16.519   19.200   48.423   21.931   53.825   7.6097  110.894   47.799   19.705   59.935   26.518 -12.13608 33.03783 
1 1 1   23   17    0 f   64.721   16.270   72.111   45.640   38.142   86.112   85.380   53.821   61.933   25.156   67.508   20.641 -5.575481 32.54060 
1 1 1   23   17    2 o  112.905   18.069  250.467   66.901  239.855  122.232  255.005   79.936  108.412   30.576  117.398   19.265 -8.986183 36.13892 
1 1 1   23   17    4 f  126.827   17.432  310.430   73.522  322.414  123.171  303.797   91.638  126.162   28.317  127.492   20.336 -1.329689 34.86307 
1 1 1   23   17    6 o   40.713   12.656  -9.7161   27.885   19.691   63.887 -16.6367   30.993   51.552   21.379   29.874   13.552 21.67770 25.31225 
1 1 1   23   17    8 o   83.165   16.541  134.144   48.528  153.719   84.287  124.438   59.352   86.948   25.663   79.381   20.876 7.567169 33.08141 
1 1 1   23   17   10 o  109.692   18.228  241.818   70.455  345.068  108.376  166.238   92.723  130.327   24.425   89.058   27.064 41.26891 36.45597 
1 1 1   23   17   12 o   43.927   13.193   9.6424   33.872   11.030   59.228   8.9679   41.292   47.370   20.167   40.484   17.017 6.886452 26.38696 
1 1 1   23   18    1 f   93.028   17.477  171.404   56.641  174.482   96.132  169.768   70.101   92.958   27.398   93.097   21.705 -0.1390533 34.95339 
1 1 1   23   18    3 o  102.960   17.704  202.978   60.266  247.614  108.310  182.962   72.530  109.551   27.897   96.369   21.804 13.18185 35.40715 
1 1 1   23   18    5 o   22.535   8.3148 -16.3226   9.1512 -84.2000   53.231 -14.2554   9.2895   31.525   15.295   13.545   6.5269 17.98011 16.62955 
1 1 1   23   18    7 o   97.060   15.679  176.169   51.354  252.589   86.774  134.977   63.708  112.149   22.671   81.970   21.663 30.17848 31.35702 
1 1 1   23   18    9 o   54.391   14.370   47.454   36.827   55.229   56.431   41.685   48.605   57.116   21.115   51.666   19.496 5.450165 28.73966 
1 1 1   23   19    0 o   91.142   18.004  175.358   66.141   76.980  101.873  247.043   86.961   70.862   27.830  111.421   22.849 -40.55854 36.00784 
1 1 1   23   19    2 o   69.214   15.883   77.823   44.823  146.476   75.675   40.723   55.631   84.875   24.101   53.553   20.695 31.32186 31.76691 
1 1 1   23   19    4 o   63.626   15.620   66.600   41.686  108.608   71.425   44.899   51.336   73.827   23.946   53.426   20.062 20.40085 31.23948 
1 1 1   23   19    6 o   51.914   14.215   38.733   36.863   44.074   56.342   34.735   48.744   54.094   20.849   49.734   19.329 4.360828 28.43057 
1 1 1   23   19    8 o   71.912   21.633  105.465   59.464   0.0000   0.0000  105.465   59.464  ?   ?    71.912   21.633      ?      ? 
1 1 1   23   20    1 o   81.812   15.458  142.286   51.490   47.973   79.317  210.980   67.693   60.063   24.232  103.561   19.201 -43.49763 30.91670 
1 1 1   23   20    3 o   56.526   20.296   56.832   51.597   0.0000   0.0000   56.832   51.597  ?   ?    56.526   20.296      ?      ? 
1 1 1   24    0    0 o  381.214   12.432  2604.45  235.741  2604.45  235.741  2604.45  235.741  381.214   17.581  381.214   17.581 -0.000000 0.000000 
1 1 1   24    0    2 o  295.143   11.733  1564.81  171.843  1564.81  171.843  1564.81  171.843  295.143   16.593  295.143   16.593 -0.000000 0.000000 
1 1 1   24    0    4 o   37.515   13.690   36.699   32.928   36.699   32.928   36.699   32.928   37.515   19.360   37.515   19.360 -0.000000 0.000000 
1 1 1   24    0    8 o   46.301   16.204   56.579   45.125   56.579   45.125   56.579   45.125   46.301   22.916   46.301   22.916 -0.000000 0.000000 
1 1 1   24    0   10 o  144.860   12.780  391.415   88.643  391.415   88.643  391.415   88.643  144.860   18.073  144.860   18.073 -0.000000 0.000000 
1 1 1   24    0   12 o  123.792   13.559  292.619   77.904  292.619   77.904  292.619   77.904  123.792   19.175  123.792   19.175 -0.000000 0.000000 
1 1 1   24    0   14 o  234.219   12.090  995.780  139.811  995.780  139.811  995.780  139.811  234.219   17.098  234.219   17.098 -0.000000 0.000000 
1 1 1   24    0   16 o  134.994   20.208  371.365  119.939  371.365  119.939  371.365  119.939  134.994   28.579  134.994   28.579 -0.000000 0.000000 
1 1 1   24    0   18 o   90.841   19.177  184.310   75.820  184.310   75.820  184.310   75.820   90.841   27.120   90.841   27.120 -0.000000 0.000000 
1 1 1   24    0   20 o   99.307   19.416  216.349   83.355  216.349   83.355  216.349   83.355   99.307   27.458   99.307   27.458 -0.000000 0.000000 
1 1 1   24    0   22 o   66.526   21.597  121.647   78.593  121.647   78.593  121.647   78.593   66.526   30.543   66.526   30.543 -0.000000 0.000000 
1 1 1   24    0   24 o   59.463   21.044  101.519   76.454  101.519   76.454  101.519   76.454   59.463   29.761   59.463   29.761 -0.000000 0.000000 
1 1 1   24    1    1 o  257.226   11.585  1186.78  105.137  1105.42  148.712  1268.07  148.659  248.279   16.947  266.172   15.802 -17.89229 23.17094 
1 1 1   24    1    3 o  459.336   16.753  3942.49  252.198  3540.50  435.824  4144.87  309.231  438.558   28.117  480.114   18.223 -41.55606 33.50559 
1 1 1   24    1    5 o  285.802   16.723  1465.47  168.930   0.0000   0.0000  1465.47  168.930  ?   ?   285.802   16.723      ?      ? 
1 1 1   24    1    7 o  203.907   16.487  746.247  118.821   0.0000   0.0000  746.247  118.821  ?   ?   203.907   16.487      ?      ? 
1 1 1   24    1    9 o  167.819   14.539  504.309   81.993  490.092  100.767  532.166  141.050  164.998   17.279  170.639   23.387 -5.641357 29.07782 
1 1 1   24    1   11 o  163.343   11.992  481.150   69.112  449.223   97.727  513.095   97.753  157.811   17.521  168.874   16.377 -11.06273 23.98335 
1 1 1   24    1   13 o  218.872   11.758  864.116   90.841  860.745  131.654  867.179  125.503  218.349   17.059  219.395   16.185 -1.046295 23.51524 
1 1 1   24    1   15 o   71.638   16.121   93.900   45.762   89.463   69.720   97.258   60.657   70.972   23.690   72.305   21.871 -1.332924 32.24179 
1 1 1   24    1   17 o   78.191   15.813  115.094   45.972  134.635   68.054   98.692   62.350   83.746   22.508   72.636   22.218 11.11053 31.62677 
1 1 1   24    1   19 o  101.370   14.952  197.924   51.776  190.905   75.119  204.275   71.462   99.335   21.978  103.405   20.278 -4.069687 29.90332 
1 1 1   24    1   21 o   71.314   15.557   87.505   50.592  164.067   69.501   1.2064   73.788   91.358   21.823   51.271   22.177 40.08746 31.11385 
1 1 1   24    1   23 o   63.784   16.802   64.347   49.280   48.068   61.746   92.912   81.793   56.751   21.839   70.818   25.539 -14.06704 33.60328 
1 1 1   24    1   25 o   69.384   18.310   90.565   60.093   86.438   81.371   95.516   89.128   67.990   25.312   70.777   26.463 -2.787048 36.61927 
1 1 1   24    2    0 o  355.596   12.257  2270.84  153.843  2136.68  217.623  2404.86  217.510  344.926   17.851  366.266   16.802 -21.34088 24.51456 
1 1 1   24    2    2 o  141.233   13.575  358.927   64.406  360.465  109.624  358.116   79.592  141.047   21.990  141.418   15.924 -0.3716888 27.14992 
1 1 1   24    2    4 o  527.019   17.673  5098.97  308.518  4994.21  535.593  5150.99  377.426  519.862   29.149  534.175   19.991 -14.31342 35.34549 
1 1 1   24    2    6 o   85.030   15.743  142.542   47.789  165.610   59.113   99.022   81.192   94.373   18.383   75.687   25.563 18.68597 31.48659 
1 1 1   24    2    8 o  171.268   11.637  528.029   70.214  511.239  102.539  542.851   96.344  168.568   17.211  173.967   15.669 -5.398056 23.27487 
1 1 1   24    2   10 o   57.349   11.713   46.989   32.463 -31.1150   47.679  114.488   44.324   36.326   16.606   78.371   16.522 -42.04560 23.42519 
1 1 1   24    2   12 o  164.954   16.714  490.412   97.446   0.0000   0.0000  490.412   97.446  ?   ?   164.954   16.714      ?      ? 
1 1 1   24    2   14 o   52.032   14.034   29.344   37.459   60.013   53.727   0.3343   52.253   59.932   20.779   44.132   18.869 15.79986 28.06779 
1 1 1   24    2   16 o   66.605   15.227   80.146   40.913   75.130   58.061   85.093   57.661   65.095   21.613   68.115   21.455 -3.019630 30.45417 
1 1 1   24    2   18 o  127.188   19.341  302.553   76.134  341.871  152.344  289.465   87.897  129.087   33.202  125.290   19.849 3.797127 38.68280 
1 1 1   24    2   20 o   63.128   16.946 -34.5135   46.181  181.334  114.974 -76.0360   50.428   94.962   30.337   31.294   15.111 63.66797 33.89270 
1 1 1   24    2   22 o   42.346   13.364 -14.2042   39.143 -13.7139   48.823 -15.0866   65.494   39.206   17.458   45.485   20.239 -6.278587 26.72851 
1 1 1   24    2   24 o   40.487   12.660 -10.7622   36.292   7.2381   48.456 -33.7612   54.772   42.901   18.252   38.073   17.549 4.828255 25.31998 
1 1 1   24    3    1 o  248.244   11.510  1104.44  100.940  1091.27  144.592  1116.96  140.977  246.736   16.580  249.751   15.971 -3.014725 23.02092 
1 1 1   24    3    3 o  242.641   11.612  1055.69   99.347  1152.57  141.872  962.482  139.162  253.690   15.822  231.592   17.001 22.09763 23.22467 
1 1 1   24    3    5 o  356.529   14.657  2325.54  173.518  2379.31  213.396  2220.61  298.098  364.171   16.579  348.888   24.174 15.28271 29.31315 
1 1 1   24    3    7 o   82.547   16.597  124.665   49.090  117.113   60.996  138.551   82.708   79.006   21.341   86.089   25.425 -7.083389 33.19372 
1 1 1   24    3    9 o   57.870   14.206   55.018   35.561   50.830   50.673   59.083   49.916   56.664   20.138   59.076   20.043 -2.412815 28.41214 
1 1 1   24    3   11 o   52.945   13.839   40.478   34.350   45.544   47.425   34.886   49.821   54.173   19.457   51.717   19.685 2.455669 27.67799 
1 1 1   24    3   13 f   60.196   14.306   60.396   37.221   34.388   53.368   85.030   51.938   52.599   20.286   67.792   20.178 -15.19351 28.61240 
1 1 1   24    3   15 o   83.856   14.969  134.671   44.566  150.654   61.596  117.113   64.561   89.113   20.043   78.599   22.240 10.51334 29.93884 
1 1 1   24    3   17 o   47.668   13.507   22.208   34.278   23.442   44.961   20.496   52.972   46.630   18.432   48.707   19.749 -2.076584 27.01425 
1 1 1   24    3   19 o   74.426   15.134  105.459   42.304   86.395   58.738  126.004   60.978   68.129   21.675   80.722   21.127 -12.59306 30.26821 
1 1 1   24    3   21 o   80.454   18.233  128.341   59.164  104.714   91.616  145.243   77.489   75.643   27.056   85.265   24.447 -9.621933 36.46538 
1 1 1   24    3   23 o   51.921   15.864   2.6619   53.946 -23.2033   74.967   30.440   77.689   47.163   21.266   56.679   23.546 -9.515057 31.72719 
1 1 1   24    4    0 o  395.053   12.294  2801.50  171.616  2885.13  243.608  2719.10  241.805  400.975   17.189  389.130   17.581 11.84464 24.58791 
1 1 1   24    4    2 o   95.889   16.703  176.855   52.044  157.012  100.352  184.156   60.870   91.992   28.195   99.786   17.917 -7.794373 33.40668 
1 1 1   24    4    4 o  134.432   19.632  349.155   90.986  266.073  135.807  416.819  122.559  117.454   31.892  151.411   22.902 -33.95630 39.26326 
1 1 1   24    4    6 o  117.100   15.328  275.447   57.937  184.678   94.683  329.776   73.252   98.519   26.579  135.681   15.275 -37.16224 30.65534 
1 1 1   24    4    8 o  220.080   16.341  884.603  127.087  878.938  177.721  890.530  181.804  219.419   22.916  220.741   23.302 -1.322250 32.68272 
1 1 1   24    4   10 o   91.939   14.539  159.909   47.452  112.550   68.765  202.960   65.563   77.802   23.232  106.076   17.487 -28.27351 29.07780 
1 1 1   24    4   12 o   85.176   14.542  137.238   43.401  121.244   60.927  153.715   61.839   80.077   21.195   90.274   19.915 -10.19733 29.08381 
1 1 1   24    4   14 o   39.995   11.195  -0.2559   27.962   41.521   36.611 -58.7405   43.318   49.935   17.162   30.054   14.380 19.88099 22.39015 
1 1 1   24    4   16 o   62.512   12.930   55.930   35.994  -5.6028   48.191  133.573   54.132   41.063   17.842   83.961   18.719 -42.89801 25.85967 
1 1 1   24    4   18 o   28.345   9.6090 -26.8806   19.531 -23.5091   21.321 -44.4641   48.691   22.189   10.462   34.501   16.121 -12.31186 19.21798 
1 1 1   24    4   20 o   39.957   10.842 -47.0825   31.149   61.757   43.248 -164.4030   44.902   58.006   18.614   21.907   11.121 36.09824 21.68339 
1 1 1   24    4   22 o   60.201   18.041   19.422   60.697   1.6259   71.772   64.112  113.737   50.180   21.788   70.222   28.760 -20.04167 36.08168 
1 1 1   24    4   24 o   75.884   20.788   95.583   72.393   71.800   84.865  159.133  138.723   65.532   25.495   86.236   32.842 -20.70435 41.57616 
1 1 1   24    5    1 o  156.605   10.525  439.175   58.158  413.613   82.700  464.185   81.803  152.026   15.391  161.183   14.359 -9.156647 21.04921 
1 1 1   24    5    3 o  117.283   15.032  198.441   55.025  408.792  113.466  133.760   62.919  150.217   21.371   84.350   21.145 65.86706 30.06377 
1 1 1   24    5    5 o  120.544   15.872  269.134   62.731  269.522   77.408  268.391  107.072  122.360   17.899  118.727   26.216 3.632996 31.74355 
1 1 1   24    5    7 f   59.632   13.950   61.612   34.230   59.184   48.594   64.003   48.226   58.866   19.777   60.399   19.681 -1.533386 27.90085 
1 1 1   24    5    9 o  111.493   15.557  230.102   57.957  253.040   93.379  215.729   73.917  115.587   23.654  107.399   20.214 8.187576 31.11474 
1 1 1   24    5   11 o  225.046   14.261  928.609  107.537  897.713  181.958  945.192  133.310  221.070   23.287  229.021   16.469 -7.951630 28.52248 
1 1 1   24    5   13 o   97.212   16.122  177.688   53.558  196.849   85.203  165.171   68.865  101.230   24.151   93.194   21.363 8.036621 32.24390 
1 1 1   24    5   15 o  101.587   17.745  198.740   63.192  180.451   85.293  220.994   94.087   96.499   24.856  106.676   25.331 -10.17688 35.48924 
1 1 1   24    5   17 o   79.923   15.719   99.648   48.664   39.629   60.443  210.245   82.049   55.590   21.547  104.256   22.893 -48.66658 31.43847 
1 1 1   24    5   19 o   77.742   16.965  103.832   50.688   68.679   62.891  168.993   85.626   63.321   22.442   92.164   25.448 -28.84277 33.92999 
1 1 1   24    5   21 o  130.545   20.586  368.955   95.354  462.131  127.535  250.844  143.590  154.228   23.396  106.863   33.878 47.36504 41.17188 
1 1 1   24    5   23 o   92.434   20.857  193.318   80.263  233.190   99.646  119.658  135.436  104.444   26.846   80.424   31.927 24.02032 41.71423 
1 1 1   24    6    0 o  303.733   11.177  1658.89  119.403  1487.28  170.065  1825.71  167.682  287.942   16.710  319.525   14.848 -31.58243 22.35392 
1 1 1   24    6    2 o  477.983   17.866  4325.99  276.363  3784.69  484.081  4587.73  336.611  451.410   30.341  504.557   18.875 -53.14706 35.73295 
1 1 1   24    6    4 o   52.039   12.871   36.726   31.473   71.037   45.131   4.2408   43.914   62.468   18.859   41.610   17.522 20.85890 25.74256 
1 1 1   24    6    6 o   49.889   13.143   31.921   32.298   52.995   44.167   7.6974   47.353   55.907   18.854   43.871   18.317 12.03608 26.28650 
1 1 1   24    6    8 o  191.088   16.122  667.576  108.834  666.578  151.565  668.638  156.377  191.039   22.447  191.137   23.148 -0.9854126E-01 32.24411 
1 1 1   24    6   10 o   44.249   12.746   12.167   29.099   5.6686   34.720   27.506   53.343   37.635   15.696   50.864   20.086 -13.22888 25.49164 
1 1 1   24    6   12 o  230.935   15.707  980.593  125.664  746.239  172.909  1242.95  182.947  200.756   24.368  261.113   19.823 -60.35678 31.41316 
1 1 1   24    6   14 o   69.339   16.655   79.721   47.066   66.119   58.355  105.036   79.612   62.486   21.656   76.191   25.309 -13.70495 33.30972 
1 1 1   24    6   16 o   72.317   15.510   83.956   43.399   47.221   53.780  152.542   73.485   55.874   20.622   88.760   23.174 -32.88657 31.02096 
1 1 1   24    6   18 o   55.676   14.736   34.370   35.394   18.654   40.998   80.358   70.134   43.631   17.485   67.721   23.726 -24.09076 29.47265 
1 1 1   24    6   20 o   82.691   24.902  136.524   78.764  136.524   78.764   0.0000   0.0000   82.691   24.902  ?   ?       ?      ? 
1 1 1   24    6   22 o  154.257   15.498  408.398   78.484  318.470   92.372  641.829  148.824  128.503   20.338  180.012   23.391 -51.50883 30.99648 
1 1 1   24    7    1 o   85.473   14.529  141.155   43.407  109.767   67.478  163.312   56.694   77.114   23.010   93.832   17.745 -16.71807 29.05764 
1 1 1   24    7    3 o  410.298   16.805  3118.81  235.538  2198.83  328.836  4088.11  337.535  345.327   26.942  475.269   20.094 -129.9416 33.60989 
1 1 1   24    7    5 o  291.199   15.663  1557.36  156.494  1117.09  216.678  2037.44  226.264  246.671   24.853  335.726   19.068 -89.05484 31.32509 
1 1 1   24    7    7 o  139.246   16.490  359.698   78.837  307.963  109.223  415.969  113.910  127.347   25.159  151.145   21.323 -23.79788 32.97924 
1 1 1   24    7    9 o   36.093   10.967  -0.1213   24.423   13.100   28.331 -38.3764   48.192   36.797   14.604   35.390   16.365 1.406506 21.93354 
1 1 1   24    7   11 o  122.262   17.214  283.855   71.617  265.311   97.291  305.789  105.806  117.883   24.162  126.642   24.524 -8.759377 34.42767 
1 1 1   24    7   13 o  175.227   22.684  567.805  140.489  567.805  140.489   0.0000   0.0000  175.227   22.684  ?   ?       ?      ? 
1 1 1   24    7   15 o  132.869   16.108  324.805   71.780  214.195   94.312  477.093  110.662  104.584   25.698  161.154   19.428 -56.57104 32.21582 
1 1 1   24    7   17 o   32.723   10.334  -3.7866   20.717   7.0796   22.430 -66.8692   54.044   31.414   12.808   34.031   16.222 -2.616924 20.66890 
1 1 1   24    7   19 o   64.049   15.846   71.835   44.571   56.960   62.378   87.351   63.708   59.764   22.179   68.334   22.638 -8.570492 31.69182 
1 1 1   24    7   21 o   43.600   13.044   10.421   33.464   20.839   40.027 -13.7692   60.992   43.371   17.313   43.829   19.515 -0.4584427 26.08760 
1 1 1   24    7   23 o   56.980   15.372   47.350   40.573   34.196   48.985   76.094   72.411   49.428   19.331   64.532   23.907 -15.10442 30.74425 
1 1 1   24    8    0 o  269.011   16.843  1324.89  159.454  1454.40  224.659  1193.41  226.354  282.768   22.479  255.254   25.090 27.51437 33.68669 
1 1 1   24    8    4 f  225.087   15.815  925.105  124.356  753.200  172.509  1111.07  179.426  202.733   24.075  247.441   20.516 -44.70734 31.63093 
1 1 1   24    8    6 o  110.644   18.143  235.131   69.351  243.759   93.363  224.511  103.585  113.274   24.063  108.015   27.161 5.259346 36.28635 
1 1 1   24    8    8 o   58.834   15.747   44.723   41.102   39.606   48.240   58.280   78.516   52.565   19.505   65.102   24.728 -12.53749 31.49487 
1 1 1   24    8   10 o   47.869   13.783   19.696   35.535   34.222   41.587 -19.6039   68.403   48.861   18.114   46.876   20.779 1.985439 27.56634 
1 1 1   24    8   12 f   93.780   17.616  169.160   59.310  157.598   81.037  182.498   87.039   90.461   24.666   97.098   25.158 -6.636635 35.23272 
1 1 1   24    8   14 o   55.247   14.092   48.502   35.182   56.139   45.415   37.040   55.638   56.824   19.119   53.670   20.709 3.154488 28.18490 
1 1 1   24    8   16 o   43.092   12.363   15.643   29.532   29.152   36.202 -11.2321   51.060   45.171   16.870   41.014   18.078 4.156502 24.72668 
1 1 1   24    8   18 o   60.237   14.697   61.167   38.162   43.745   50.649   84.045   58.041   53.578   19.965   66.895   21.574 -13.31690 29.39498 
1 1 1   24    8   20 o   55.234   15.310   22.182   52.825 -147.7706  100.623   86.842   62.065   43.090   20.934   67.378   22.345 -24.28766 30.61921 
1 1 1   24    8   22 o   87.899   16.457  161.218   54.490  100.410   77.032  222.113   77.088   71.164   24.869  104.633   21.562 -33.46899 32.91484 
1 1 1   24    9    1 o  278.501   24.039  1420.35  236.627   0.0000   0.0000  1420.35  236.627  ?   ?   278.501   24.039      ?      ? 
1 1 1   24    9    3 o   99.768   15.608  166.705   56.683   79.087   72.026  309.257   91.872   68.930   24.050  130.607   19.902 -61.67728 31.21661 
1 1 1   24    9    5 o   65.217   16.003   56.115   44.351   26.712   54.114  116.275   77.405   50.953   20.196   79.480   24.830 -28.52613 32.00630 
1 1 1   24    9    7 o  135.423   16.779  330.888   71.072  314.721   83.710  372.635  134.517  131.890   17.958  138.956   28.349 -7.065796 33.55829 
1 1 1   24    9    9 o   85.379   15.081  136.824   47.802   74.535   66.355  204.029   68.923   66.437   23.089  104.321   19.407 -37.88361 30.16170 
1 1 1   24    9   11 o   88.203   13.663  140.217   46.350   40.728   62.838  258.937   68.643   56.784   21.981  119.622   16.236 -62.83857 27.32673 
1 1 1   24    9   13 o   68.593   13.814   72.872   39.696   13.248   52.010  156.076   61.439   46.654   19.313   90.532   19.756 -43.87842 27.62807 
1 1 1   24    9   15 o   60.525   14.101   61.689   36.597   31.297   50.618   94.975   52.974   50.456   19.673   70.594   20.206 -20.13750 28.20113 
1 1 1   24    9   17 o  122.786   14.076  285.799   59.286  244.681   82.249  330.267   85.534  112.195   21.524  133.376   18.144 -21.18035 28.15146 
1 1 1   24    9   19 o   51.548   14.787 -14.8364   27.217 -27.8296   28.545  115.124   90.278   26.100   12.243   76.997   26.922 -50.89655 29.57448 
1 1 1   24    9   21 f   80.918   17.069  134.388   52.840  109.768   71.796  163.483   78.049   73.532   24.016   88.304   24.261 -14.77192 34.13727 
1 1 1   24   10    0 o  263.552   26.373  1282.84  245.670  1282.84  245.670   0.0000   0.0000  263.552   26.373  ?   ?       ?      ? 
1 1 1   24   10    2 o   57.420   24.584   1.8920   88.918   0.0000   0.0000   1.8920   88.918  ?   ?    57.420   24.584      ?      ? 
1 1 1   24   10    4 o  200.050   17.185  722.051  121.508   0.0000   0.0000  722.051  121.508  ?   ?   200.050   17.185      ?      ? 
1 1 1   24   10    6 o   73.431   17.335  101.122   57.100 -66.4503  129.758  141.364   63.587   60.524   27.562   86.337   21.032 -25.81287 34.66979 
1 1 1   24   10    8 o  117.323   19.784  285.804   75.371  202.141  150.852  313.638   87.010  103.342   34.844  131.305   18.749 -27.96241 39.56817 
1 1 1   24   10   10 o  178.719   18.092  582.751  112.738  722.612  176.544  486.444  146.499  196.404   25.432  161.033   25.739 35.37073 36.18435 
1 1 1   24   10   12 o  108.601   19.252  214.223   68.290  285.410  128.850  186.416   80.531  119.165   30.473   98.037   23.538 21.12753 38.50499 
1 1 1   24   10   14 o  119.398   20.647  302.566   96.405  124.866  148.197  432.931  126.933   87.512   33.789  151.284   23.739 -63.77191 41.29490 
1 1 1   24   10   16 o   80.696   19.031  129.209   63.424   77.541  117.931  150.234   75.230   74.416   29.714   86.976   23.787 -12.56078 38.06197 
1 1 1   24   10   18 o   58.552   16.615   36.400   56.084 -41.5621   95.065   78.021   69.460   51.246   23.435   65.859   23.558 -14.61282 33.22955 
1 1 1   24   10   20 o   64.517   18.743   47.529   68.874   13.790   91.389   91.882  104.784   56.771   24.618   72.264   28.270 -15.49324 37.48639 
1 1 1   24   11    1 o  123.170   22.580  304.448  101.250  219.461  152.401  371.599  135.468  107.483   34.984  138.857   28.556 -31.37434 45.15917 
1 1 1   24   11    3 o   81.679   19.248   88.258   78.397 -52.9693  113.413  217.490  108.490   57.403   25.994  105.954   28.394 -48.55055 38.49583 
1 1 1   24   11    5 o  102.640   22.198  202.400   90.057  147.435  128.943  254.747  125.835   91.399   32.161  113.881   30.606 -22.48197 44.39688 
1 1 1   24   11    7 o  134.697   22.314  360.480  104.489  333.392  147.544  387.733  147.996  129.221   32.373  140.172   30.720 -10.95058 44.62868 
1 1 1   24   11    9 o  239.011   18.480  1162.34  136.096  866.380  243.091  1297.45  164.250  210.917   32.609  267.105   17.398 -56.18846 36.96002 
1 1 1   24   11   11 o  181.120   24.876  618.868  159.244   0.0000   0.0000  618.868  159.244  ?   ?   181.120   24.876      ?      ? 
1 1 1   24   11   13 o  193.095   18.973  786.848  109.597  567.508  191.227  894.136  133.742  165.376   33.855  220.813   17.136 -55.43645 37.94534 
1 1 1   24   11   15 o   95.810   17.066  207.341   69.162   8.1960  124.468  296.294   83.187   65.545   28.574  126.074   18.668 -60.52940 34.13209 
1 1 1   24   11   17 o   58.396   16.897   34.267   57.144 -19.0755   94.151   65.378   71.902   53.719   24.058   63.073   23.732 -9.353813 33.79321 
1 1 1   24   11   19 o   69.861   15.560   70.276   59.560 -108.5262   94.008  190.175   76.982   43.688   20.977   96.033   22.986 -52.34528 31.11951 
1 1 1   24   12    0 o   53.647   16.741 -16.8213   60.311 -32.1124  100.261  -8.1505   75.499   55.953   24.959   51.341   22.320 4.611210 33.48293 
1 1 1   24   12    2 o  195.402   20.514  733.682  136.523  634.009  197.973  824.063  188.519  180.082   32.290  210.723   25.312 -30.64127 41.02854 
1 1 1   24   12    4 o  155.939   30.493  475.925  162.042   0.0000   0.0000  475.925  162.042  ?   ?   155.939   30.493      ?      ? 
1 1 1   24   12    6 o   75.929   20.827   78.138   80.133   59.779  111.773   97.554  114.943   72.266   28.902   79.593   29.994 -7.326591 41.65311 
1 1 1   24   12    8 o  118.701   22.357  278.927  101.906  417.298  146.554  149.394  141.797  145.298   29.544   92.105   33.563 53.19300 44.71400 
1 1 1   24   12   10 o  144.160   22.028  418.390  108.774  394.559  148.393  446.064  159.911  139.790   30.860  148.529   31.441 -8.738876 44.05518 
1 1 1   24   12   12 o   40.053   19.160 -96.5169   76.794   0.0000   0.0000 -96.5169   76.794  ?   ?    40.053   19.160      ?      ? 
1 1 1   24   12   14 o   97.513   19.416  186.833   65.825  218.553  119.149  172.899   78.971  102.081   30.603   92.946   23.904 9.135765 38.83198 
1 1 1   24   12   16 o   71.082   17.761   85.306   57.294  142.464   87.632   42.631   75.719   83.385   26.469   58.778   23.689 24.60702 35.52180 
1 1 1   24   12   18 o   75.746   18.519  117.959   60.462   91.347  100.881  132.876   75.531   71.605   27.814   79.887   24.457 -8.281891 37.03725 
1 1 1   24   13    1 o  142.566   17.099  365.052   75.298  423.565  145.997  343.847   87.889  147.527   29.034  137.605   18.071 9.921677 34.19813 
1 1 1   24   13    3 o  185.008   16.439  648.521   96.422  598.727  177.192  669.469  114.928  177.833   28.191  192.182   16.920 -14.34880 32.87866 
1 1 1   24   13    5 f   84.336   21.326  117.445   84.648  178.552  115.377   46.213  124.571   96.071   30.359   72.600   29.959 23.47121 42.65188 
1 1 1   24   13    7 o   94.068   21.887  167.523   88.987  234.348  120.379   87.009  132.135  108.151   30.288   79.985   31.605 28.16628 43.77425 
1 1 1   24   13    9 o  100.998   21.538  188.602   88.707   91.519  118.227  313.659  134.184   77.958   30.158  124.037   30.759 -46.07945 43.07654 
1 1 1   24   13   11 o   71.180   27.615   75.125   99.347   75.125   99.347   0.0000   0.0000   71.180   27.615  ?   ?       ?      ? 
1 1 1   24   13   13 o  146.965   21.528  463.310  110.437  617.262  153.906  299.905  158.561  177.881   24.480  116.049   35.419 61.83183 43.05535 
1 1 1   24   13   15 o   84.491   19.902  135.977   79.857  237.618  108.615   16.390  117.814  105.258   28.497   63.724   27.790 41.53385 39.80354 
1 1 1   24   13   17 o  111.310   21.789  267.078   85.258  226.798  104.852  345.676  146.467  101.398   28.221  121.223   33.206 -19.82534 43.57814 
1 1 1   24   14    0 o  141.852   15.782  322.940   71.386  529.646  139.174  249.141   83.158  168.962   23.305  114.741   21.289 54.22124 31.56498 
1 1 1   24   14    2 o  166.692   15.750  471.405   83.674  620.242  165.571  420.356   96.967  181.551   25.803  151.834   18.069 29.71674 31.50040 
1 1 1   24   14    4 o  249.095   16.454  1189.72  132.624  1073.01  233.642  1245.20  161.093  236.894   27.905  261.295   17.443 -24.40060 32.90792 
1 1 1   24   14    6 o   56.546   16.255   33.239   43.151   21.557   97.483   36.085   48.122   62.004   26.109   51.089   19.370 10.91457 32.50941 
1 1 1   24   14    8 o   81.794   19.230  122.820   61.406  139.401  111.084  115.523   73.689   85.972   29.874   77.615   24.223 8.357422 38.46064 
1 1 1   24   14   10 o   56.557   16.057 -94.8744   48.178 -157.4170   54.005  148.975  106.636   26.175   13.152   86.938   29.296 -60.76300 32.11310 
1 1 1   24   14   12 o   60.407   25.517   26.636   93.592   26.636   93.592   0.0000   0.0000   60.407   25.517  ?   ?       ?      ? 
1 1 1   24   14   14 o   52.668   15.675   0.6126   56.435   63.882   68.572 -132.1972   99.350   61.705   23.184   43.631   21.103 18.07393 31.34999 
1 1 1   24   14   16 o   79.228   19.746  134.718   70.379  161.021   85.678   80.149  123.408   86.500   25.955   71.956   29.766 14.54402 39.49259 
1 1 1   24   15    1 o  139.507   16.445  340.630   72.616  443.258  138.484  301.711   85.281  150.777   26.977  128.236   18.816 22.54099 32.89014 
1 1 1   24   15    3 o  187.377   18.530  645.321  122.718   0.0000   0.0000  645.321  122.718  ?   ?   187.377   18.530      ?      ? 
1 1 1   24   15    5 o   52.686   15.213  -8.9728   34.058   94.250   90.115 -26.1734   36.786   74.017   26.789   31.355   14.426 42.66162 30.42674 
1 1 1   24   15    7 f  150.831   16.689  432.748   81.909  460.470  141.932  418.905  100.297  151.581   27.505  150.081   18.908 1.499756 33.37705 
1 1 1   24   15    9 o  106.759   17.948  261.688   70.257  109.473  125.368  331.379   84.829   80.239   31.051  133.278   18.008 -53.03928 35.89505 
1 1 1   24   15   11 f   71.894   17.739   87.518   52.491  138.565   94.013   64.396   63.272   82.522   27.508   61.266   22.406 21.25555 35.47781 
1 1 1   24   15   13 o   85.098   25.778  152.561   84.217   0.0000   0.0000  152.561   84.217  ?   ?    85.098   25.778      ?      ? 
1 1 1   24   16    0 o   59.794   18.288 -36.5720   61.604 -74.2002   70.057   91.738  129.368   39.890   18.855   79.698   31.342 -39.80819 36.57602 
1 1 1   24   16    2 o   96.518   21.027  159.649   80.353   84.357  100.056  296.407  134.848   73.363   27.903  119.673   31.464 -46.31015 42.05437 
1 1 1   24   16    4 o   71.920   16.365   52.280   41.508  194.538   96.723   20.167   45.955   98.070   27.034   45.769   18.452 52.30170 32.73053 
1 1 1   24   16    6 o   94.429   17.352  159.083   57.335  263.689   99.925  107.741   70.006  114.326   25.390   74.532   23.658 39.79391 34.70378 
1 1 1   24   16    8 o   64.352   16.542   44.154   46.467  139.251   89.492   9.0515   54.371   82.888   26.795   45.816   19.406 37.07190 33.08470 
1 1 1   24   16   10 o   69.414   17.032   94.493   52.481   42.408   93.923  118.138   63.282   62.324   25.890   76.504   22.139 -14.18057 34.06467 
1 1 1   24   16   12 o   42.164   13.261  -2.5433   34.762 -25.9650   73.497   4.2058   39.453   45.838   20.823   38.490   16.425 7.348400 26.52138 
1 1 1   24   17    1 o  189.515   14.886  667.854   94.686  713.066  163.182  644.904  116.259  192.451   23.990  186.578   17.630 5.873108 29.77129 
1 1 1   24   17    3 o   68.249   16.641   84.859   45.902   79.023   86.719   87.131   54.102   69.128   26.052   67.370   20.711 1.758774 33.28202 
1 1 1   24   17    5 o   95.163   21.529  163.335   85.193   75.617  107.406  312.143  139.894   71.222   28.382  119.104   32.380 -47.88142 43.05875 
1 1 1   24   17    7 o   48.868   14.318   21.738   38.998   0.0001   70.668   31.256   46.763   49.311   21.513   48.425   18.902 0.8866119 28.63699 
1 1 1   24   17    9 o   69.482   17.183   79.869   48.374  140.640   90.756   55.751   57.173   81.688   27.017   57.276   21.238 24.41285 34.36532 
1 1 1   24   18    0 o   75.251   15.438  115.397   53.941 -27.6739   93.299  187.233   66.111   52.559   23.709   97.943   19.779 -45.38427 30.87551 
1 1 1   24   18    2 o  140.264   16.129  381.268   74.452  412.245  126.587  364.885   92.059  141.706   26.241  138.822   18.762 2.883469 32.25843 
1 1 1   24   18    4 o  141.504   15.914  403.620   72.632  375.219  122.548  418.999   90.177  133.818   26.844  149.190   17.102 -15.37268 31.82870 
1 1 1   24   18    6 o   62.615   16.051   70.742   48.237   18.275   81.616   98.908   59.799   55.037   23.558   70.193   21.807 -15.15633 32.10172 
1 1 1   24   19    1 o   98.920   17.652  223.732   69.891   83.440  115.782  304.158   87.664   72.378   29.250  125.463   19.769 -53.08521 35.30374 
1 1 1   24   19    3 o   99.337   23.319  205.069   80.470   0.0000   0.0000  205.069   80.470  ?   ?    99.337   23.319      ?      ? 
1 1 1   25    0    1 o   56.890   17.602   83.082   52.151   83.082   52.151   83.082   52.151   56.890   24.893   56.890   24.893 -0.000000 0.000000 
1 1 1   25    0    3 o   31.159   13.669   12.037   42.540   12.037   42.540   12.037   42.540   31.159   19.330   31.159   19.330 -0.000000 0.000000 
1 1 1   25    0    5 o   34.615   16.354 -25.1203   77.786 -25.1203   77.786 -25.1203   77.786   34.615   23.128   34.615   23.128 -0.000000 0.000000 
1 1 1   25    0    7 f   34.599   14.940   18.926   48.986   18.926   48.986   18.926   48.986   34.599   21.129   34.599   21.129 -0.000000 0.000000 
1 1 1   25    0   11 o   33.552   15.251   2.4247   58.511   2.4247   58.511   2.4247   58.511   33.552   21.569   33.552   21.569 -0.000000 0.000000 
1 1 1   25    0   13 o  204.522   13.365  769.273  133.947  769.273  133.947  769.273  133.947  204.522   18.901  204.522   18.901 -0.000000 0.000000 
1 1 1   25    0   15 o   31.464   14.616  -8.0938   57.960  -8.0938   57.960  -8.0938   57.960   31.464   20.669   31.464   20.669 -0.000000 0.000000 
1 1 1   25    0   17 o   79.582   22.757  162.568   88.482  162.568   88.482  162.568   88.482   79.582   32.183   79.582   32.183 -0.000000 0.000000 
1 1 1   25    0   19 o   41.728   18.745   16.808   85.254   16.808   85.254   16.808   85.254   41.728   26.510   41.728   26.510 -0.000000 0.000000 
1 1 1   25    0   21 o   59.850   23.868  100.886  109.055  100.886  109.055  100.886  109.055   59.850   33.755   59.850   33.755 -0.000000 0.000000 
1 1 1   25    0   23 o   68.798   25.597  146.316  116.808  146.316  116.808  146.316  116.808   68.798   36.199   68.798   36.199 -0.000000 0.000000 
1 1 1   25    1    0 o  174.641   11.857  547.286   73.187  554.458  103.562  540.131  103.442  175.800   16.667  173.482   16.870 2.317932 23.71498 
1 1 1   25    1    2 o  221.234   11.701  878.219   91.492  887.730  130.159  868.929  128.633  222.416   16.557  220.052   16.539 2.364166 23.40254 
1 1 1   25    1    4 o   54.265   15.578   28.253   41.427   2.1395   88.482   35.585   46.883   57.445   24.557   51.085   19.175 6.360733 31.15649 
1 1 1   25    1    6 o  166.409   17.520  508.813   99.707  417.482  134.317  620.912  148.808  148.421   26.581  184.397   22.832 -35.97589 35.04076 
1 1 1   25    1    8 o   93.752   15.861  166.679   51.998  146.929   72.853  187.187   74.239   87.994   23.123   99.511   21.718 -11.51697 31.72255 
1 1 1   25    1   10 o  124.993   17.526  249.759   72.879  467.622  133.034  156.342   87.114  159.396   23.614   90.590   25.905 68.80625 35.05231 
1 1 1   25    1   12 o   39.737   12.466 -18.1785   35.633   3.9876   45.596 -52.9546   57.111   42.115   17.801   37.358   17.457 4.757053 24.93250 
1 1 1   25    1   14 f   89.174   17.958  154.575   60.193  122.124   88.865  182.087   81.823   81.316   26.727   97.032   23.993 -15.71564 35.91629 
1 1 1   25    1   16 o   60.271   16.705   44.872   51.882   54.552   74.893   35.940   71.941   62.668   24.067   57.875   23.173 4.793625 33.40982 
1 1 1   25    1   18 o   98.056   20.014  196.383   74.947  238.982  102.224  146.869  110.209  108.945   26.745   87.168   29.781 21.77645 40.02752 
1 1 1   25    1   20 o   67.474   17.574   77.501   55.109   92.161   81.856   65.348   74.530   71.155   25.562   63.792   24.125 7.363209 35.14871 
1 1 1   25    1   22 o  155.271   33.740  550.992  179.870   0.0000   0.0000  550.992  179.870  ?   ?   155.271   33.740      ?      ? 
1 1 1   25    2    1 o   92.616   13.946  161.156   44.295  139.235   63.027  182.549   62.264   86.043   20.926   99.188   18.439 -13.14443 27.89109 
1 1 1   25    2    3 o  408.416   12.618  3003.46  182.136  2995.33  258.838  3011.44  256.338  407.821   17.957  409.011   17.732 -1.190399 25.23657 
1 1 1   25    2    5 o  100.904   17.280  195.282   59.149  201.752   73.372  183.271   99.963  103.736   20.737   98.072   27.648 5.663376 34.56008 
1 1 1   25    2    7 o  351.614   15.999  2367.55  182.421  1953.57  312.496  2581.54  224.675  324.561   27.241  378.667   16.787 -54.10580 31.99835 
1 1 1   25    2    9 o  232.313   15.288  1030.17  116.299  851.434  195.842  1127.54  144.546  214.421   25.842  250.205   16.345 -35.78450 30.57701 
1 1 1   25    2   11 o  142.854   16.760  392.116   77.970  348.065  128.873  417.551   97.925  133.999   28.108  151.708   18.263 -17.70888 33.51986 
1 1 1   25    2   13 o   69.029   16.163   72.590   52.277  -3.1679   75.611  141.970   72.358   51.989   22.468   86.069   23.241 -34.08060 32.32617 
1 1 1   25    2   15 o   94.972   17.276  183.462   60.862  106.813   94.444  237.900   79.593   78.050   27.518  111.893   20.894 -33.84293 34.55170 
1 1 1   25    2   17 o   66.533   18.969   52.109   62.633   54.625   72.776   44.923  122.997   61.959   23.742   71.106   29.590 -9.147141 37.93702 
1 1 1   25    2   19 o   90.128   20.799  170.359   79.733  212.475   96.754   81.229  140.753  102.042   26.567   78.215   32.010 23.82729 41.59819 
1 1 1   25    2   21 o   81.583   20.402  119.872   69.586   88.869   83.981  187.787  124.296   69.991   25.780   93.175   31.628 -23.18409 40.80385 
1 1 1   25    2   23 o   72.264   20.123   85.359   70.100   64.930   83.544  133.959  128.859   63.614   25.132   80.913   31.433 -17.29884 40.24534 
1 1 1   25    3    0 o  245.873   11.699  1084.89  101.632  1068.91  144.799  1100.42  142.683  244.033   16.788  247.713   16.297 -3.680450 23.39704 
1 1 1   25    3    2 o  292.579   15.008  1618.06  143.203  1365.32  244.986  1749.24  176.496  272.864   25.402  312.294   15.990 -39.42941 30.01604 
1 1 1   25    3    4 o   42.892   19.002 -17.6231   57.123   0.0000   0.0000 -17.6231   57.123  ?   ?    42.892   19.002      ?      ? 
1 1 1   25    3    6 o  102.335   18.419  201.818   68.713  136.401   98.361  264.171   96.030   86.516   28.103  118.155   23.818 -31.63865 36.83817 
1 1 1   25    3    8 f  188.447   14.107  617.802   90.759  751.589  154.339  547.082  112.212  202.964   21.515  173.930   18.253 29.03435 28.21476 
1 1 1   25    3   10 o  110.017   16.714  244.204   62.933  158.962  101.174  298.000   80.374   91.710   28.344  128.324   17.721 -36.61357 33.42789 
1 1 1   25    3   12 f  136.920   19.316  357.771   89.618  317.804  118.434  411.312  137.079  128.013   27.024  145.826   27.607 -17.81317 38.63228 
1 1 1   25    3   14 o  193.122   26.244  704.204  179.139   0.0000   0.0000  704.204  179.139  ?   ?   193.122   26.244      ?      ? 
1 1 1   25    3   16 o  111.381   33.168  254.583  140.306   0.0000   0.0000  254.583  140.306  ?   ?   111.381   33.168      ?      ? 
1 1 1   25    3   18 o   72.991   19.041   89.741   68.601  131.826   82.291  -6.1368  124.209   82.012   25.598   63.970   28.196 18.04216 38.08257 
1 1 1   25    3   20 o   57.451   25.412  -6.6932  101.771   0.0000   0.0000  -6.6932  101.771  ?   ?    57.451   25.412      ?      ? 
1 1 1   25    3   22 o   84.618   21.347  151.995   79.595  152.466  101.808  151.253  127.657   84.460   28.625   84.775   31.676 -0.3150864 42.69310 
1 1 1   25    4    1 o  213.255   14.300  836.956  101.596  777.852  172.069  868.589  125.881  206.484   23.577  220.026   16.187 -13.54195 28.59910 
1 1 1   25    4    3 o   75.264   21.475  105.589   59.935   0.0000   0.0000  105.589   59.935  ?   ?    75.264   21.475      ?      ? 
1 1 1   25    4    5 o  249.326   16.767  1140.37  147.324  1237.70  208.450  1043.24  208.247  260.355   22.652  238.297   24.725 22.05836 33.53306 
1 1 1   25    4    7 o  168.819   16.673  523.781   99.306  550.651  139.178  495.914  141.737  173.465   22.701  164.174   24.426 9.291077 33.34626 
1 1 1   25    4    9 o  128.398   25.304  314.560  110.749  314.560  110.749   0.0000   0.0000  128.398   25.304  ?   ?       ?      ? 
1 1 1   25    4   11 o   89.659   18.464  149.814   62.097  120.923   82.286  188.033   94.641   80.762   25.651   98.555   26.566 -17.79269 36.92865 
1 1 1   25    4   13 o  168.369   23.588  527.509  140.368  527.509  140.368   0.0000   0.0000  168.369   23.588  ?   ?       ?      ? 
1 1 1   25    4   15 o   96.930   20.067  189.818   75.158  230.189   97.698  131.287  117.637  108.163   25.899   85.697   30.658 22.46613 40.13313 
1 1 1   25    4   17 o  108.846   18.206  184.507   64.367  116.576   74.250  389.949  129.124   77.827   24.319  139.866   27.099 -62.03918 36.41117 
1 1 1   25    4   19 o   78.149   24.690  120.628   76.315  120.628   76.315   0.0000   0.0000   78.149   24.690  ?   ?       ?      ? 
1 1 1   25    4   21 o   90.794   20.448  165.471   67.267  151.097   77.976  207.287  132.997   85.359   24.539   96.229   32.716 -10.87000 40.89610 
1 1 1   25    5    0 o  406.049   18.411  3031.94  263.956  3180.57  372.854  2882.61  373.728  416.448   25.331  395.650   26.725 20.79892 36.82291 
1 1 1   25    5    2 o   72.760   24.399   92.205   73.958   0.0000   0.0000   92.205   73.958  ?   ?    72.760   24.399      ?      ? 
1 1 1   25    5    4 o  277.996   17.132  1418.99  168.141  1473.86  235.764  1362.19  239.865  283.770   23.507  272.223   24.930 11.54700 34.26466 
1 1 1   25    5    6 o  143.377   23.809  377.392  120.652  377.392  120.652   0.0000   0.0000  143.377   23.809  ?   ?       ?      ? 
1 1 1   25    5    8 o   96.048   25.181  176.795   86.529  176.795   86.529   0.0000   0.0000   96.048   25.181  ?   ?       ?      ? 
1 1 1   25    5   10 o  286.341   17.180  1519.19  173.763  1450.50  244.221  1589.61  247.284  279.556   24.717  293.127   23.868 -13.57178 34.36010 
1 1 1   25    5   12 o  135.701   16.655  342.438   76.518  325.373   98.053  369.014  122.368  133.041   20.852  138.361   25.977 -5.319336 33.31079 
1 1 1   25    5   14 o  179.726   18.579  591.956  118.019  591.956  118.019   0.0000   0.0000  179.726   18.579  ?   ?       ?      ? 
1 1 1   25    5   16 o   73.478   18.551   89.080   55.015   82.842   63.634  107.541  109.475   67.549   22.632   79.406   29.399 -11.85670 37.10138 
1 1 1   25    5   18 o  109.151   15.898  234.794   59.292  244.824   83.711  224.696   83.994  111.780   21.972  106.521   22.984 5.258713 31.79665 
1 1 1   25    5   20 o   62.920   15.383   65.144   45.375   14.329   64.342  115.421   63.999   49.986   21.138   75.853   22.355 -25.86693 30.76613 
1 1 1   25    5   22 o   40.509   12.646  -5.2563   34.574   0.0065   43.389 -14.4101   57.224   39.148   16.970   41.870   18.753 -2.722084 25.29131 
1 1 1   25    6    1 o  212.850   16.270  826.935  122.309  784.937  171.716  870.185  174.255  207.236   23.444  218.464   22.568 -11.22862 32.54074 
1 1 1   25    6    3 o  240.681   23.409  1060.15  199.133  1060.15  199.133   0.0000   0.0000  240.681   23.409  ?   ?       ?      ? 
1 1 1   25    6    5 o   46.690   14.030   4.1761   39.678   13.587   49.784 -12.2114   65.696   46.191   18.986   47.188   20.660 -0.9971771 28.05904 
1 1 1   25    6    7 o   59.791   15.257   31.425   42.167  -5.8402   51.317  108.890   73.988   42.535   18.446   77.046   24.307 -34.51178 30.51400 
1 1 1   25    6    9 o  209.752   23.440  812.244  173.774  812.244  173.774   0.0000   0.0000  209.752   23.440  ?   ?       ?      ? 
1 1 1   25    6   11 o  164.105   14.877  472.589   83.927  402.928  104.811  597.077  140.112  148.327   19.992  179.883   22.038 -31.55609 29.75500 
1 1 1   25    6   13 o   66.522   15.236   75.961   42.183  112.354   62.384   45.304   57.257   76.776   21.910   56.268   21.176 20.50788 30.47125 
1 1 1   25    6   15 o   37.609   11.682 -11.1878   30.293 -25.6283   42.407   3.8578   43.287   34.393   15.699   40.825   17.305 -6.432358 23.36483 
1 1 1   25    6   17 o   75.995   16.791  106.476   51.758  155.904   76.875   65.494   70.001   88.492   23.981   63.497   23.509 24.99499 33.58202 
1 1 1   25    6   19 o  102.262   16.219  213.283   57.322  243.822   78.485  178.368   83.918  111.405   20.694   93.119   24.980 18.28498 32.43864 
1 1 1   25    6   21 o  128.349   15.289  328.264   65.118  204.642   88.096  477.163   96.683   98.222   25.240  158.477   17.261 -60.25544 30.57771 
1 1 1   25    7    0 o  275.395   23.475  1387.07  228.495  1387.07  228.495   0.0000   0.0000  275.395   23.475  ?   ?       ?      ? 
1 1 1   25    7    2 o  169.169   33.202  557.604  191.432  557.604  191.432   0.0000   0.0000  169.169   33.202  ?   ?       ?      ? 
1 1 1   25    7    4 o  102.484   16.601  194.284   57.386  176.206   72.281  225.108   94.382   96.483   21.720  108.485   25.111 -12.00224 33.20127 
1 1 1   25    7    6 o  177.477   14.817  571.669   90.280  561.957  114.438  587.673  146.910  176.135   18.383  178.818   23.244 -2.683746 29.63487 
1 1 1   25    7    8 o  205.542   13.827  705.910   96.133  543.801  117.426  1035.37  167.402  172.838   19.222  238.246   19.880 -65.40828 27.65334 
1 1 1   25    7   10 o   87.633   17.693  129.518   57.889   78.368   72.070  222.536   97.187   68.270   24.042  106.995   25.963 -38.72482 35.38508 
1 1 1   25    7   12 o  173.085   19.986  618.499  101.906  495.851  192.191  666.467  120.192  155.063   35.793  191.108   17.794 -36.04514 39.97248 
1 1 1   25    7   14 f   99.536   15.269  191.169   52.380  232.710   75.443  152.507   72.781  110.610   20.035   88.461   23.047 22.14837 30.53798 
1 1 1   25    7   16 o  118.104   14.291  268.705   56.780  349.901   81.232  191.133   79.398  137.875   16.669   98.332   23.217 39.54310 28.58144 
1 1 1   25    7   18 o   63.536   15.333   66.511   42.397   34.663   55.397  111.539   65.870   52.030   20.494   75.042   22.812 -23.01216 30.66581 
1 1 1   25    7   20 o   79.958   18.066  133.669   55.588  140.856   65.727  115.615  104.177   83.026   22.033   76.891   28.637 6.134163 36.13232 
1 1 1   25    8    1 o  211.051   19.331  839.640  141.230  740.838  213.823  916.099  188.098  198.644   30.455  223.458   23.816 -24.81406 38.66150 
1 1 1   25    8    3 o  328.366   15.219  1918.96  169.785  1799.14  210.000  2145.12  288.507  315.143   18.853  341.588   23.896 -26.44479 30.43837 
1 1 1   25    8    5 o   67.826   17.004   77.006   50.972   96.502   60.968   31.740   92.901   72.253   21.943   63.399   25.983 8.854225 34.00861 
1 1 1   25    8    7 o  136.092   17.112  333.088   78.034  198.098  100.763  535.357  123.343  101.043   27.486  171.141   20.391 -70.09888 34.22364 
1 1 1   25    8    9 o  117.001   17.642  242.127   68.587  182.497   84.225  359.509  118.171   97.168   24.523  136.833   25.369 -39.66433 35.28386 
1 1 1   25    8   11 o   57.569   13.318   38.829   37.393 -24.3944   51.245  110.832   54.687   38.889   17.554   76.250   20.032 -37.36150 26.63501 
1 1 1   25    8   13 o  120.637   19.883  269.427   84.776   0.0000   0.0000  269.427   84.776  ?   ?   120.637   19.883      ?      ? 
1 1 1   25    8   15 o  132.928   14.589  340.843   63.731  217.940   88.027  476.233   92.391  104.780   24.249  161.076   16.228 -56.29538 29.17861 
1 1 1   25    8   17 o   33.488   10.756 -18.3100   25.915 -20.3506   31.560 -14.0865   45.404   29.359   13.454   37.618   16.787 -8.258863 21.51292 
1 1 1   25    8   19 o   69.983   15.100   90.932   41.205   60.854   53.194  136.057   65.154   58.226   20.639   81.740   22.046 -23.51395 30.19935 
1 1 1   25    9    0 o  120.286   21.173  217.167   90.078  497.235  167.758  103.706  106.777  160.328   30.723   80.245   29.143 80.08334 42.34604 
1 1 1   25    9    2 o  176.258   20.002  560.157  121.784  683.032  199.819  487.540  153.612  190.602   29.661  161.914   26.842 28.68727 40.00373 
1 1 1   25    9    4 o  195.323   29.547  719.656  203.981  719.656  203.981   0.0000   0.0000  195.323   29.547  ?   ?       ?      ? 
1 1 1   25    9    6 o  198.278   13.931  702.696   92.190  673.708  112.185  762.986  161.787  193.064   16.441  203.492   22.495 -10.42818 27.86206 
1 1 1   25    9    8 o  173.824   14.939  538.387   88.201  495.717  108.767  620.330  150.727  164.844   18.668  182.804   23.328 -17.96054 29.87841 
1 1 1   25    9   10 o  120.353   18.897  277.300   77.302  242.815   99.844  328.904  122.136  111.384   25.859  129.321   27.564 -17.93620 37.79470 
1 1 1   25    9   12 o   81.971   17.672  136.218   56.669  162.593   67.238   71.542  105.291   91.773   21.162   72.168   28.309 19.60487 35.34393 
1 1 1   25    9   14 o   97.498   15.599  182.083   54.884  115.073   75.232  258.320   80.245   77.259   24.525  117.738   19.283 -40.47867 31.19852 
1 1 1   25    9   16 o   49.853   13.661   8.1773   36.339 -30.2359   45.239   78.049   61.013   34.716   15.982   64.991   22.159 -30.27510 27.32106 
1 1 1   25    9   18 o   88.576   16.593  158.947   52.261  142.623   68.320  181.971   81.137   83.555   22.592   93.598   24.309 -10.04341 33.18637 
1 1 1   25   10    1 o  157.019   22.105  514.347  116.882  310.947  181.512  658.435  152.771  124.705   37.859  189.333   22.829 -64.62762 44.20961 
1 1 1   25   10    3 o  126.073   22.311  317.499   99.186  282.723  149.716  344.701  132.412  119.188   33.918  132.958   28.994 -13.77045 44.62135 
1 1 1   25   10    5 o   71.590   20.287   54.013   73.491   77.167  130.802   43.332   88.838   78.964   31.367   64.217   25.737 14.74730 40.57475 
1 1 1   25   10    7 o   74.670   20.074   73.273   73.006  125.087  115.272   38.569   94.338   84.816   30.348   64.524   26.283 20.29256 40.14707 
1 1 1   25   10    9 o   85.250   29.953  131.253  111.822   0.0000   0.0000  131.253  111.822  ?   ?    85.250   29.953      ?      ? 
1 1 1   25   10   11 o   66.317   27.018   45.377   99.711   0.0000   0.0000   45.377   99.711  ?   ?    66.317   27.018      ?      ? 
1 1 1   25   10   13 o   52.676   14.332 -35.2651   54.407 -280.9124   91.526   98.974   67.659   33.120   16.703   72.232   23.293 -39.11231 28.66318 
1 1 1   25   10   15 o   48.809   15.928 -65.4946   64.126  -9.2389   97.551 -108.3028   85.096   56.160   24.859   41.458   19.920 14.70266 31.85554 
1 1 1   25   10   17 o   34.188   11.876 -132.7364   47.654 -174.8086   62.944 -76.2330   72.944   28.447   14.281   39.929   18.980 -11.48179 23.75261 
1 1 1   25   11    0 o   71.091   20.178   54.307   77.126   41.497  117.095   64.123  102.502   70.781   29.108   71.401   27.953 -0.6202393 40.35612 
1 1 1   25   11    2 o   84.191   19.221  119.549   56.004  153.249  123.337  110.796   62.857   91.743   31.501   76.639   22.032 15.10409 38.44130 
1 1 1   25   11    4 o   74.684   19.022   85.888   55.385  106.309  120.462   80.414   62.368   82.069   30.749   67.299   22.403 14.77002 38.04494 
1 1 1   25   11    6 o   94.776   22.782  169.022   93.495  113.577  141.151  212.365  124.797   85.972   33.035  103.580   31.380 -17.60817 45.56350 
1 1 1   25   11    8 o  161.130   21.403  519.093  117.811  645.511  166.514  392.384  166.705  184.525   25.531  137.734   34.358 46.79080 42.80582 
1 1 1   25   11   10 o  135.074   31.848  376.225  149.569  376.225  149.569   0.0000   0.0000  135.074   31.848  ?   ?       ?      ? 
1 1 1   25   11   12 f  100.533   20.582  195.955   87.733   60.541  122.680  337.696  125.513   72.548   29.809  128.518   28.389 -55.96963 41.16483 
1 1 1   25   11   14 o   71.080   18.168   44.055   71.136 -84.4339   98.002  187.145  103.420   47.700   22.471   94.459   28.555 -46.75941 36.33657 
1 1 1   25   11   16 o   81.559   21.391  133.004   82.088  117.474  113.408  150.096  118.972   78.294   29.724   84.825   30.769 -6.531364 42.78113 
1 1 1   25   12    1 o   60.040   17.450   23.713   47.379   62.287  111.869   15.281   52.301   72.728   28.971   47.351   19.461 25.37676 34.90064 
1 1 1   25   12    3 o  118.174   19.533  243.208   69.288  339.232  149.412  216.899   78.206  129.636   32.632  106.712   21.479 22.92316 39.06662 
1 1 1   25   12    5 o   89.326   23.381  154.517   74.681   0.0000   0.0000  154.517   74.681  ?   ?    89.326   23.381      ?      ? 
1 1 1   25   12    7 o   67.200   17.508   74.617   54.989 -18.0265  115.630  101.693   62.510   61.157   27.068   73.243   22.213 -12.08655 35.01543 
1 1 1   25   12    9 o  142.633   22.957  423.096  113.476  484.609  162.748  364.896  158.303  153.877   30.996  131.389   33.873 22.48785 45.91387 
1 1 1   25   12   13 o  105.754   21.603  241.017   91.983  348.118  129.019  130.305  131.176  128.122   29.148   83.385   31.893 44.73742 43.20594 
1 1 1   25   12   15 o   76.484   20.252  103.832   79.166  171.860  108.350   25.925  115.951   89.017   29.524   63.950   27.731 25.06667 40.50478 
1 1 1   25   13    0 o   66.084   16.418   72.902   54.751 -174.6396  136.026  120.759   59.810   52.636   25.263   79.531   20.976 -26.89504 32.83640 
1 1 1   25   13    2 o   50.407   14.020   11.201   44.988 -252.7649  107.582   67.142   49.526   39.643   19.709   61.171   19.945 -21.52780 28.04003 
1 1 1   25   13    4 o   99.275   17.139  129.313   56.538  362.509  119.677   62.315   64.148  136.330   25.781   62.219   22.590 74.11117 34.27793 
1 1 1   25   13    6 o   63.228   17.745   41.735   52.268   80.339  105.413   29.150   60.188   73.634   28.479   52.821   21.179 20.81282 35.49094 
1 1 1   25   13    8 f  136.496   18.924  371.933   82.415  361.017  148.556  376.787   99.056  130.974   32.295  142.019   19.734 -11.04520 37.84699 
1 1 1   25   13   10 f  128.709   19.037  358.439   78.937  271.694  141.294  397.799   95.176  111.648   33.293  145.769   18.473 -34.12138 38.07424 
1 1 1   25   13   12 o  107.962   22.874  234.867   84.572   0.0000   0.0000  234.867   84.572  ?   ?   107.962   22.874      ?      ? 
1 1 1   25   13   14 o   99.141   19.343  196.194   66.485  274.764  118.593  160.183   80.289  111.066   29.654   87.216   24.845 23.84998 38.68608 
1 1 1   25   14    1 o  201.764   16.156  759.267  102.867  769.964  195.051  755.146  121.074  200.122   27.576  203.407   16.841 -3.285004 32.31195 
1 1 1   25   14    3 o   82.880   19.004  129.713   58.503  119.192  119.392  133.037   67.112   83.007   30.708   82.753   22.398 0.2541275 38.00882 
1 1 1   25   14    5 o  165.650   17.147  548.740   86.342  483.413  157.910  576.600  103.122  154.017   30.087  177.284   16.457 -23.26758 34.29422 
1 1 1   25   14    7 o   84.494   21.883  129.960   85.189  103.140  113.547  164.496  128.849   78.021   29.713   90.968   32.135 -12.94709 43.76611 
1 1 1   25   14    9 f   81.341   16.144   69.745   53.744  281.177  102.083 -11.3315   63.215  117.456   25.335   45.226   20.015 72.22977 32.28702 
1 1 1   25   14   11 o  147.083   20.224  461.240  102.079  410.502  151.040  503.901  138.498  135.734   32.005  158.433   24.733 -22.69862 40.44775 
1 1 1   25   14   13 o   76.556   15.988   60.360   51.217  258.326   97.580 -14.9157   60.172  110.197   25.551   42.916   19.225 67.28125 31.97570 
1 1 1   25   15    0 f  183.600   14.938  585.277   90.575  763.340  167.530  511.732  107.667  200.637   23.624  166.562   18.289 34.07515 29.87627 
1 1 1   25   15    2 o  110.694   19.463  240.070   70.076  265.463  133.293  230.371   82.379  112.630   31.987  108.758   22.182 3.872002 38.92568 
1 1 1   25   15    4 o  178.707   16.040  610.472   93.878  609.095  166.230  611.117  113.754  175.933   26.733  181.480   17.734 -5.547714 32.08030 
1 1 1   25   15    6 o   85.580   18.062  117.001   54.599  237.588  107.983   75.584   63.284  106.536   28.226   64.623   22.543 41.91328 36.12344 
1 1 1   25   15    8 f   66.713   17.740   69.430   52.428  101.951   98.122   56.436   62.023   74.533   27.786   58.892   22.064 15.64090 35.48085 
1 1 1   25   15   10 o   71.504   17.623  101.496   53.326   75.445   99.097  112.114   63.267   68.651   27.293   74.357   22.302 -5.705185 35.24555 
1 1 1   25   16    1 o   71.572   17.396   71.535   43.210  152.202  103.002   54.307   47.602   87.139   28.780   56.005   19.551 31.13358 34.79280 
1 1 1   25   16    3 o  107.455   17.643  259.199   67.071  138.780  116.657  318.661   81.975   84.348   30.488  130.561   17.764 -46.21304 35.28542 
1 1 1   25   16    5 o   72.180   17.594   84.819   47.998  143.547   99.059   66.801   54.869   83.754   28.236   60.606   21.000 23.14737 35.18898 
1 1 1   25   16    7 o   76.616   17.821  113.140   53.747  145.746   91.787   96.125   66.303   83.390   27.150   69.842   23.092 13.54839 35.64253 
1 1 1   25   16    9 o  103.809   18.224  261.316   77.154   75.437  133.398  354.753   94.578   72.718   30.577  134.899   19.836 -62.18144 36.44738 
1 1 1   25   17    0 o   52.708   14.720   21.095   32.983   77.741   76.826   8.2946   36.520   66.836   24.651   38.581   16.095 28.25498 29.44048 
1 1 1   25   17    2 o   68.782   16.788   91.849   48.914   56.302   91.738  105.969   57.818   64.580   26.058   72.984   21.174 -8.404221 33.57568 
1 1 1   25   17    4 o   96.698   16.427  163.520   55.919  317.935   98.380   89.821   67.966  125.233   23.077   68.163   23.386 57.07008 32.85461 
1 1 1   25   17    6 o  159.364   18.330  546.751   93.046  467.103  155.445  591.222  116.152  143.612   31.492  175.116   18.766 -31.50392 36.65928 
1 1 1   25   18    1 o   69.897   17.476   95.135   50.941   71.608  102.614  102.829   58.683   68.346   27.566   71.447   21.490 -3.101463 34.95241 
1 1 1   25   18    3 o  122.331   19.591  291.403   84.705   0.0000   0.0000  291.403   84.705  ?   ?   122.331   19.591      ?      ? 
1 1 1   26    1   17 o  163.938   32.385  570.237  180.994  570.237  180.994   0.0000   0.0000  163.938   32.385  ?   ?       ?      ? 
1 1 1   26    1   19 o   89.872   33.424  169.470  141.817  169.470  141.817   0.0000   0.0000   89.872   33.424  ?   ?       ?      ? 
1 1 1   26    2   12 o   55.099   25.742 -100.4803  124.094 -100.4803  124.094   0.0000   0.0000   55.099   25.742  ?   ?       ?      ? 
1 1 1   26    2   14 f   77.041   30.749   78.617  126.244   78.617  126.244   0.0000   0.0000   77.041   30.749  ?   ?       ?      ? 
1 1 1   26    2   16 o   79.963   31.702   97.015  133.365   97.015  133.365   0.0000   0.0000   79.963   31.702  ?   ?       ?      ? 
1 1 1   26    2   18 o   72.226   30.361   57.409  131.464   57.409  131.464   0.0000   0.0000   72.226   30.361  ?   ?       ?      ? 
1 1 1   26    2   20 o   85.713   22.619  156.777   92.679  121.346  148.906  179.181  118.409   81.372   33.069   90.054   30.869 -8.681816 45.23750 
1 1 1   26    3    9 o   94.544   34.728  153.203  152.247  153.203  152.247   0.0000   0.0000   94.544   34.728  ?   ?       ?      ? 
1 1 1   26    3   11 o  156.167   32.341  488.856  172.637  488.856  172.637   0.0000   0.0000  156.167   32.341  ?   ?       ?      ? 
1 1 1   26    3   13 o  119.816   21.806  299.424   95.241  212.757  143.711  367.301  127.180  103.178   33.991  136.455   27.323 -33.27659 43.61144 
1 1 1   26    3   15 o   65.424   18.624 -13.1145   65.478  149.439  123.896 -76.1119   77.129   88.662   31.490   42.186   19.893 46.47598 37.24726 
1 1 1   26    3   17 o  128.991   22.351  341.897   98.569  432.702  163.378  289.928  123.597  140.953   33.320  117.029   29.801 23.92460 44.70267 
1 1 1   26    3   19 o   69.224   18.882   77.093   70.551 -26.1991  124.382  126.088   85.664   59.810   27.139   78.638   26.259 -18.82753 37.76344 
1 1 1   26    4    0 o   81.548   28.604  112.660  101.953  112.660  101.953   0.0000   0.0000   81.548   28.604  ?   ?       ?      ? 
1 1 1   26    4    2 o  111.936   30.437  243.302  123.592  243.302  123.592   0.0000   0.0000  111.936   30.437  ?   ?       ?      ? 
1 1 1   26    4    4 o  186.290   26.384  644.013  173.722  644.013  173.722   0.0000   0.0000  186.290   26.384  ?   ?       ?      ? 
1 1 1   26    4    8 f   71.651   16.817   57.613   67.046 -147.2227  110.504  176.945   84.344   47.496   22.790   95.805   24.737 -48.30888 33.63476 
1 1 1   26    4   10 o   59.612   18.152   2.1184   61.206   32.164  120.779  -8.2639   70.998   69.738   29.196   49.486   21.577 20.25248 36.30421 
1 1 1   26    4   12 o  136.144   21.491  380.743  102.218  291.316  158.302  444.694  133.868  118.727   35.202  153.561   24.665 -34.83471 42.98298 
1 1 1   26    4   14 o   98.576   21.778  204.378   89.039   97.824  153.280  258.644  109.387   83.775   33.725  113.377   27.565 -29.60104 43.55688 
1 1 1   26    4   16 f  149.675   22.064  475.511  113.835  398.828  171.844  535.474  151.958  134.275   35.623  165.076   26.045 -30.80061 44.12820 
1 1 1   26    4   18 o   95.249   28.898  194.087  105.781   0.0000   0.0000  194.087  105.781  ?   ?    95.249   28.898      ?      ? 
1 1 1   26    4   20 o  107.380   22.294  284.800   98.360  153.992  162.912  359.835  123.387   86.177   34.741  128.583   27.948 -42.40646 44.58739 
1 1 1   26    5    1 o  216.726   18.288  879.550  137.864  734.037  199.839  1011.70  190.439  198.370   28.503  235.081   22.920 -36.71095 36.57506 
1 1 1   26    5    3 o  188.108   18.506  655.120  122.287  665.197  183.801  647.116  163.802  188.936   27.524  187.280   24.746 1.656281 37.01280 
1 1 1   26    5    5 o  123.538   21.908  290.941   93.549  347.909  151.854  256.098  118.761  132.537   32.634  114.540   29.237 17.99708 43.81504 
1 1 1   26    5    7 o  112.814   34.622  251.943  151.260  251.943  151.260   0.0000   0.0000  112.814   34.622  ?   ?       ?      ? 
1 1 1   26    5    9 o   80.787   19.020  108.435   75.665 -49.2257  125.726  197.968   94.745   60.807   27.467  100.767   26.316 -39.96003 38.03907 
1 1 1   26    5   11 o  112.981   21.667  269.763   94.128  144.716  149.864  351.233  120.965   91.837   34.319  134.125   26.457 -42.28799 43.33317 
1 1 1   26    5   13 o  127.930   21.474  356.358  103.929  165.561  162.817  487.553  135.012   95.397   35.747  160.464   23.805 -65.06734 42.94850 
1 1 1   26    5   15 o   73.027   20.168   81.464   75.532  -0.0042  142.336  113.397   89.114   68.432   30.172   77.622   26.770 -9.190178 40.33549 
1 1 1   26    5   17 o   37.684   13.291 -132.5585   51.259 -156.3774  111.275 -126.1427   57.752   45.623   22.130   29.745   14.727 15.87864 26.58259 
1 1 1   26    5   19 o   47.951   15.426 -50.7691   62.756 -242.6624  119.383   22.504   73.771   42.130   20.914   53.773   22.681 -11.64357 30.85178 
1 1 1   26    6    0 o  178.847   20.366  606.134  122.735  598.495  193.842  611.245  158.571  175.497   32.446  182.197   24.624 -6.700912 40.73172 
1 1 1   26    6    2 o  167.947   18.819  515.070  109.587  570.316  175.924  480.040  140.085  174.573   28.512  161.322   24.569 13.25151 37.63709 
1 1 1   26    6    4 o  134.390   22.104  347.997  100.699  389.002  164.012  323.188  127.576  139.855   33.600  128.925   28.732 10.93068 44.20898 
1 1 1   26    6    6 o  103.577   22.340  187.030   86.195  291.294  150.680  136.317  105.086  120.666   33.919   86.488   29.083 34.17773 44.67982 
1 1 1   26    6   10 o   85.079   20.701  132.669   80.039   39.237  134.311  184.121   99.670   73.356   30.754   96.803   27.718 -23.44732 41.40203 
1 1 1   26    6   12 o   77.210   27.447  105.393   94.140   0.0000   0.0000  105.393   94.140  ?   ?    77.210   27.447      ?      ? 
1 1 1   26    6   14 o   88.220   21.586  149.607   80.045  159.162  131.807  144.024  100.751   90.706   32.452   85.733   28.471 4.972160 43.17113 
1 1 1   26    6   16 o   55.118   25.080 -153.6769   39.525 -38.3074  107.168 -171.8401   42.522   55.118   25.080  ?   ?       ?      ? 
1 1 1   26    6   18 o  119.995   29.691  316.515  125.238   0.0000   0.0000  316.515  125.238  ?   ?   119.995   29.691      ?      ? 
1 1 1   26    7    1 o   80.921   27.577  115.367   94.497   0.0000   0.0000  115.367   94.497  ?   ?    80.921   27.577      ?      ? 
1 1 1   26    7    3 o   74.827   20.201  -8.2324   67.368  215.047  152.110 -62.7164   75.139  106.127   34.971   43.527   20.233 62.60001 40.40236 
1 1 1   26    7    5 o   61.909   19.447 -28.7100   64.563   49.259  155.667 -44.9087   70.954   79.708   33.239   44.109   20.199 35.59909 38.89499 
1 1 1   26    7    7 f  238.867   18.802  1044.97  156.228  1254.10  249.477  910.041  200.383  257.516   27.410  220.217   25.745 37.29924 37.60436 
1 1 1   26    7    9 o   80.074   27.861  114.536   96.633   0.0000   0.0000  114.536   96.633  ?   ?    80.074   27.861      ?      ? 
1 1 1   26    7   11 o  132.691   22.980  362.244  104.703  361.414  170.809  362.743  132.519  130.743   35.878  134.639   28.723 -3.896332 45.95921 
1 1 1   26    7   13 o  106.609   22.905  225.524   91.400  295.790  152.260  185.939  114.281  117.534   34.435   95.683   30.212 21.85079 45.81008 
1 1 1   26    7   15 o   85.325   20.212  141.809   84.785 -25.6181  142.817  232.929  105.360   64.987   29.322  105.663   27.827 -40.67619 40.42430 
1 1 1   26    7   17 o   73.522   19.601   94.363   73.885   22.147  114.558  145.798   96.680   63.470   27.543   83.574   27.896 -20.10426 39.20233 
1 1 1   26    8    0 o  394.332   16.734  2867.02  212.800  2856.88  388.805  2871.36  254.264  390.480   28.172  398.184   18.067 -7.704163 33.46714 
1 1 1   26    8    2 o  238.922   18.120  1102.90  129.156  979.690  256.700  1144.67  149.451  226.200   32.108  251.644   16.803 -25.44426 36.23906 
1 1 1   26    8    4 o   64.314   16.960   60.697   55.845 -211.7920  150.533  104.185   60.137   54.207   26.159   74.420   21.595 -20.21332 33.92098 
1 1 1   26    8    6 o  158.448   20.206  448.426  107.095  639.698  184.029  350.478  131.692  183.383   28.393  133.513   28.757 49.86974 40.41160 
1 1 1   26    8   10 o  124.180   22.978  311.868   99.633  347.410  162.960  290.652  125.906  128.613   34.941  119.748   29.853 8.864441 45.95688 
1 1 1   26    8   12 o   62.932   18.590   23.143   67.327   66.817  110.610  -2.5619   84.857   71.649   28.717   54.215   23.615 17.43447 37.18019 
1 1 1   26    8   14 o   69.594   18.100   54.730   74.410 -159.3659  129.432  160.422   90.940   50.566   24.365   88.621   26.774 -38.05504 36.20071 
1 1 1   26    8   16 o   63.428   18.284   43.197   68.487 -28.8366  107.291   92.731   88.971   55.606   25.222   71.250   26.479 -15.64334 36.56865 
1 1 1   26    8   18 o   88.814   21.468  177.628   82.382  141.736  121.955  207.753  111.728   81.938   30.892   95.691   29.821 -13.75301 42.93681 
1 1 1   26    9    1 o  161.155   16.110  461.589   88.624  416.100  109.763  546.781  150.211  150.781   20.596  171.529   24.777 -20.74799 32.21946 
1 1 1   26    9    3 o  344.221   17.024  2240.86  187.267  2104.03  341.175  2299.86  224.032  332.721   29.012  355.721   17.819 -22.99973 34.04712 
1 1 1   26    9    5 o   88.279   18.644  173.402   67.775 -91.5900  174.491  220.484   73.550   68.484   31.476  108.073   19.991 -39.58880 37.28831 
1 1 1   26    9    7 o  156.031   17.622  444.697   97.180   0.0000   0.0000  444.697   97.180  ?   ?   156.031   17.622      ?      ? 
1 1 1   26    9    9 o  105.333   29.469  224.215  114.018   0.0000   0.0000  224.215  114.018  ?   ?   105.333   29.469      ?      ? 
1 1 1   26    9   11 o   79.690   21.236   96.562   78.513  157.519  134.305   64.916   96.771   90.700   32.723   68.680   27.075 22.02000 42.47236 
1 1 1   26    9   13 o   75.065   17.728   73.310   73.821 -128.7460  116.442  209.099   95.456   49.341   23.600  100.788   26.460 -51.44759 35.45535 
1 1 1   26    9   15 o   47.679   21.579 -26.3478   78.032   0.0000   0.0000 -26.3478   78.032  ?   ?    47.679   21.579      ?      ? 
1 1 1   26    9   17 o   77.920   21.078  117.469   79.769  148.096  125.966   96.965  103.069   83.375   31.403   72.466   28.123 10.90886 42.15569 
1 1 1   26   10    0 o  327.490   25.569  2004.52  295.963   0.0000   0.0000  2004.52  295.963  ?   ?   327.490   25.569      ?      ? 
1 1 1   26   10    2 o  149.720   20.544  505.704   91.077  294.753  176.687  582.039  106.286  120.310   37.502  179.130   16.787 -58.82028 41.08791 
1 1 1   26   10    4 o   82.278   21.343  110.420   79.512  133.463  128.544   96.139  101.194   87.741   31.959   76.815   28.298 10.92608 42.68680 
1 1 1   26   10    6 o  133.965   19.954  391.685   82.705  262.886  160.374  438.348   96.531  113.119   35.797  154.810   17.642 -41.69096 39.90857 
1 1 1   26   10    8 o   24.270   11.881 -65.1196   34.207   0.0000   0.0000 -65.1196   34.207  ?   ?    24.270   11.881      ?      ? 
1 1 1   26   10   10 o  130.523   30.630  354.225  138.873   0.0000   0.0000  354.225  138.873  ?   ?   130.523   30.630      ?      ? 
1 1 1   26   10   12 o   55.172   22.864   26.218   73.003   0.0000   0.0000   26.218   73.003  ?   ?    55.172   22.864      ?      ? 
1 1 1   26   10   14 o  110.352   19.857  271.290   75.595  223.506  135.195  293.026   91.181   99.674   32.975  121.031   22.131 -21.35712 39.71307 
1 1 1   26   10   16 o   38.896   13.383 -142.1792   56.578 -47.8571   87.586 -209.7208   74.116   47.416   21.973   30.376   15.283 17.04003 26.76513 
1 1 1   26   11    1 o  166.396   22.163  710.500  109.732  244.626  213.298  878.177  127.965  112.816   41.156  219.976   16.459 -107.1603 44.32520 
1 1 1   26   11    3 o  201.374   17.615  740.513  125.371   0.0000   0.0000  740.513  125.371  ?   ?   201.374   17.615      ?      ? 
1 1 1   26   11    5 o   89.201   21.554  153.858   67.197   0.0000   0.0000  153.858   67.197  ?   ?    89.201   21.554      ?      ? 
1 1 1   26   11    7 o  131.801   19.302  345.351   79.708  337.168  151.638  348.475   93.696  126.590   33.405  137.012   19.348 -10.42236 38.60382 
1 1 1   26   11    9 o  162.991   18.479  494.707  106.452   0.0000   0.0000  494.707  106.452  ?   ?   162.991   18.479      ?      ? 
1 1 1   26   11   11 o  128.525   20.652  315.437   93.815   0.0000   0.0000  315.437   93.815  ?   ?   128.525   20.652      ?      ? 
1 1 1   26   11   13 o  114.384   19.671  285.043   75.441  261.533  134.546  295.823   91.111  107.205   32.606  121.562   22.016 -14.35674 39.34286 
1 1 1   26   11   15 o   58.571   17.101   42.356   56.052   13.335   99.797   55.730   67.747   58.217   25.477   58.926   22.820 -0.7098465 34.20263 
1 1 1   26   12    0 o  115.585   19.554  263.034   71.227  246.599  146.741  268.099   81.467  110.337   34.141  120.834   19.075 -10.49674 39.10866 
1 1 1   26   12    2 o  148.479   20.136  471.125   90.004  349.286  171.108  517.730  105.827  128.851   36.119  168.107   17.811 -39.25529 40.27141 
1 1 1   26   12    4 f  169.484   16.835  526.961   91.816  587.946  172.545  502.872  108.445  173.874   28.077  165.093   18.585 8.781052 33.67056 
1 1 1   26   12    6 o  205.918   16.509  805.186  110.635  814.754  198.884  800.898  133.136  203.812   27.609  208.025   18.108 -4.212921 33.01723 
1 1 1   26   12    8 o  117.396   19.344  311.037   77.202  189.506  143.249  360.786   91.651   95.920   33.883  138.873   18.672 -42.95318 38.68726 
1 1 1   26   12   10 o   58.409   16.956   22.242   61.848 -82.6099  103.544   80.402   77.116   49.371   23.209   67.447   24.725 -18.07623 33.91118 
1 1 1   26   12   12 o   87.558   17.953  118.769   58.975  289.035  111.296   52.295   69.541  116.115   27.536   59.002   23.044 57.11322 35.90653 
1 1 1   26   13    1 f   40.985   13.371 -13.6273   34.356 -169.4705  106.675   4.4076   36.289   44.181   21.485   37.788   15.922 6.393417 26.74151 
1 1 1   26   13    3 o  156.501   16.094  424.557   82.198  574.211  156.314  367.359   96.638  172.498   25.639  140.504   19.460 31.99390 32.18726 
1 1 1   26   13    5 o   56.455   16.265 -18.1050   44.158  115.570  100.809 -49.8444   49.122   79.140   28.374   33.769   15.909 45.37070 32.52924 
1 1 1   26   13    7 f  107.904   18.533  271.780   72.290  121.201  136.445  330.542   85.236   82.980   32.315  132.827   18.156 -49.84718 37.06624 
1 1 1   26   13    9 o   76.650   18.841  105.316   57.236  149.656  109.522   88.656   67.134   85.149   29.659   68.151   23.244 16.99804 37.68198 
1 1 1   26   13   11 o  118.818   28.334  307.611  117.316   0.0000   0.0000  307.611  117.316  ?   ?   118.818   28.334      ?      ? 
1 1 1   26   14    0 o  133.670   17.757  324.804   73.099  407.225  145.083  296.762   84.626  140.959   30.040  126.382   18.945 14.57729 35.51473 
1 1 1   26   14    2 o   95.520   17.885  206.527   66.392   56.112  132.089  257.374   76.798   73.471   30.626  117.569   18.482 -44.09796 35.77078 
1 1 1   26   14    4 o   81.301   17.495   77.167   51.377  258.164  111.086   27.916   57.947  111.291   28.205   51.311   20.708 59.98049 34.99040 
1 1 1   26   14    6 o  112.865   19.755  269.020   72.958  250.235  145.383  275.343   84.347  105.564   34.155  120.166   19.860 -14.60155 39.50946 
1 1 1   26   14    8 o   67.184   17.815   79.114   52.786   67.734  106.287   82.840   60.816   68.690   27.930   65.678   22.124 3.011215 35.63070 
1 1 1   26   14   10 o   41.287   13.595 -27.1783   38.245 -35.2246   86.514 -25.2238   42.638   48.607   22.275   33.967   15.592 14.64083 27.19016 
1 1 1   26   15    1 o   91.484   18.567  188.328   66.021   75.489  129.574  227.896   76.729   75.049   30.713  107.919   20.871 -32.86982 37.13308 
1 1 1   26   15    3 o   50.688   15.217   20.757   41.670 -48.8373  100.619   35.165   45.781   51.967   23.891   49.410   18.855 2.556553 30.43495 
1 1 1   26   15    5 o   46.651   14.649   2.7294   39.590 -41.9349   96.076   11.864   43.450   51.109   23.441   42.193   17.575 8.915810 29.29755 
1 1 1   26   15    7 o   88.703   18.990  169.789   62.402  156.678  114.299  175.357   74.482   85.325   30.252   92.081   22.963 -6.755585 37.98068 
1 1 1   26   16    0 f  147.311   15.506  381.542   74.766  538.484  141.968  321.307   87.951  164.653   24.395  129.969   19.146 34.68399 31.01118 
1 1 1   26   16    2 o   57.182   16.033   45.770   44.555   35.692   87.138   49.338   51.844   59.664   24.874   54.701   20.236 4.963177 32.06520 
1 1 1   26   16    4 o   77.576   15.693   53.719   48.555  272.738   99.386 -14.9463   55.648  113.828   25.353   41.323   18.502 72.50497 31.38653 
1 1 1   26   17    1 o   59.586   20.180   67.269   50.601   0.0000   0.0000   67.269   50.601  ?   ?    59.586   20.180      ?      ? 
1 1 1   27    0    1 o  115.840   14.747  262.054   77.160  262.054   77.160  262.054   77.160  115.840   20.855  115.840   20.855 -0.000000 0.000000 
1 1 1   27    0    3 o  333.979   12.559  2011.71  208.306  2011.71  208.306  2011.71  208.306  333.979   17.761  333.979   17.761 -0.000000 0.000000 
1 1 1   27    0    5 o   67.246   22.399  121.327   84.859  121.327   84.859  121.327   84.859   67.246   31.677   67.246   31.677 -0.000000 0.000000 
1 1 1   27    0    7 o   22.030   10.905 -45.4079   44.905 -45.4079   44.905 -45.4079   44.905   22.030   15.422   22.030   15.422 -0.000000 0.000000 
1 1 1   27    0    9 o   75.619   20.454  141.220   72.956  141.220   72.956  141.220   72.956   75.619   28.926   75.619   28.926 -0.000000 0.000000 
1 1 1   27    0   11 o  181.811   13.781  616.677  121.605  616.677  121.605  616.677  121.605  181.811   19.489  181.811   19.489 -0.000000 0.000000 
1 1 1   27    0   13 o  161.950   15.201  501.527  116.994  501.527  116.994  501.527  116.994  161.950   21.497  161.950   21.497 -0.000000 0.000000 
1 1 1   27    0   15 o   45.992   18.492   53.896   66.178   53.896   66.178   53.896   66.178   45.992   26.152   45.992   26.152 -0.000000 0.000000 
1 1 1   27    0   17 o   23.494   11.725 -62.1291   55.239 -62.1291   55.239 -62.1291   55.239   23.494   16.582   23.494   16.582 -0.000000 0.000000 
1 1 1   27    1    0 o   90.390   17.031  157.213   53.780  164.619   66.006  142.587   92.757   93.390   20.554   87.389   27.161 6.001099 34.06169 
1 1 1   27    1    2 o   54.833   14.633   41.037   38.786   46.063   54.500   35.878   55.210   56.105   20.749   53.560   20.640 2.545410 29.26638 
1 1 1   27    1    4 o  148.886   30.997  435.167  157.812  435.167  157.812   0.0000   0.0000  148.886   30.997  ?   ?       ?      ? 
1 1 1   27    1    6 o   90.200   16.150  154.488   52.690  108.216   72.778  205.456   76.382   76.432   24.107  103.969   21.496 -27.53712 32.29907 
1 1 1   27    1    8 o  113.635   15.293  245.196   59.145  232.104   81.919  259.452   85.483  110.346   21.778  116.924   21.476 -6.578163 30.58582 
1 1 1   27    1   10 o  101.472   17.398  177.345   61.676  108.646   75.896  310.935  105.835   76.308   24.677  126.637   24.532 -50.32859 34.79584 
1 1 1   27    1   12 o   82.889   19.734  136.972   72.060   3.3772  148.156  178.369   82.472   70.766   31.004   95.012   24.424 -24.24634 39.46859 
1 1 1   27    1   14 o  139.763   20.953  403.197   98.618  396.780  127.105  412.903  156.315  140.296   26.607  139.230   32.377 1.065491 41.90692 
1 1 1   27    1   16 o   75.006   17.502  111.432   54.182  124.067   74.036   96.860   79.508   78.446   24.247   71.567   25.247 6.878304 35.00446 
1 1 1   27    1   18 o   73.588   18.176  109.301   57.774  118.405   72.575   93.550   95.462   75.844   24.090   71.333   27.225 4.510651 36.35278 
1 1 1   27    2    1 o  104.604   14.350  204.904   51.681  177.578   75.242  229.310   71.109   96.620   22.459  112.588   17.870 -15.96719 28.70098 
1 1 1   27    2    3 o  166.026   20.876  605.435   98.566  385.767  192.903  683.051  114.665  137.582   38.274  194.470   16.682 -56.88777 41.75150 
1 1 1   27    2    5 o  158.604   21.048  490.093  114.374  439.939  169.210  532.284  155.197  148.494   33.087  168.713   26.026 -20.21925 42.09637 
1 1 1   27    2    7 o  117.224   19.476  307.858   79.429  136.482  150.046  374.580   93.623   91.152   34.285  143.296   18.485 -52.14423 38.95120 
1 1 1   27    2    9 o  180.798   13.165  607.510   81.983  455.636  115.791  760.172  116.091  156.978   20.870  204.618   16.052 -47.64034 26.32903 
1 1 1   27    2   11 o  104.688   16.452  213.672   59.288  214.724   82.856  212.568   84.871  105.066   22.954  104.310   23.575 0.7554092 32.90405 
1 1 1   27    2   13 o   54.718   15.550   31.660   45.500   24.955   59.704   40.950   70.274   51.470   20.931   57.966   23.003 -6.496391 31.10012 
1 1 1   27    2   15 o   47.774   14.498   1.9699   44.929   25.786   59.743 -29.0360   68.166   51.247   20.900   44.301   20.098 6.945702 28.99519 
1 1 1   27    2   17 o   33.090   11.211 -65.3356   36.742 -69.6449   48.160 -59.3349   56.831   30.595   14.772   35.586   16.868 -4.990549 22.42248 
1 1 1   27    3    0 o  382.457   12.932  2650.32  174.674  2552.17  248.279  2746.52  245.794  375.220   18.721  389.693   17.845 -14.47229 25.86392 
1 1 1   27    3    2 o  203.335   17.424  808.701  108.849  668.285  203.092  865.292  128.931  187.745   30.606  218.926   16.662 -31.18172 34.84766 
1 1 1   27    3    4 o   64.080   17.714   26.337   45.233  116.353  113.564   9.3642   49.313   83.270   30.083   44.890   18.713 38.38017 35.42843 
1 1 1   27    3    6 o   54.920   22.299   26.351   67.634   0.0000   0.0000   26.351   67.634  ?   ?    54.920   22.299      ?      ? 
1 1 1   27    3    8 o  123.245   20.859  336.921   83.512  195.374  174.898  378.725   95.048  102.643   37.295  143.847   18.695 -41.20439 41.71812 
1 1 1   27    3   10 o  122.175   20.052  295.149   78.010  286.298  153.718  298.219   90.535  117.438   34.655  126.912   20.183 -9.474014 40.10388 
1 1 1   27    3   12 o  105.801   18.998  262.202   75.600   67.147  154.963  323.125   86.605   79.510   33.161  132.092   18.550 -52.58152 37.99657 
1 1 1   27    3   14 o   93.687   21.125  152.732   69.573  259.282  144.402  120.522   79.395  109.042   33.889   78.332   25.230 30.71015 42.24926 
1 1 1   27    3   16 o  162.477   16.655  494.737   90.793  379.389  113.957  695.217  150.235  136.632   24.498  188.323   22.571 -51.69038 33.31028 
1 1 1   27    3   18 o   88.276   17.374  165.154   56.199  166.495   79.276  163.801   79.680   88.671   24.488   87.882   24.652 0.7891922 34.74715 
1 1 1   27    4    1 f  314.058   15.709  1811.01  160.904  1804.86  288.514  1813.79  193.851  311.404   26.213  316.713   17.317 -5.309052 31.41705 
1 1 1   27    4    3 o   81.283   17.857  120.274   54.043  115.349   65.464  130.814   95.761   78.169   22.487   84.398   27.744 -6.229057 35.71324 
1 1 1   27    4    5 o  228.463   14.325  927.640  110.840  1058.17  190.381  860.708  136.328  239.295   22.510  217.630   17.723 21.66499 28.64966 
1 1 1   27    4    7 o   70.940   22.332   93.103   62.482   0.0000   0.0000   93.103   62.482  ?   ?    70.940   22.332      ?      ? 
1 1 1   27    4    9 o   94.053   20.332  148.467   62.144  227.762  140.876  129.309   69.245  106.232   33.544   81.874   22.986 24.35807 40.66381 
1 1 1   27    4   11 o  141.071   19.630  410.389   84.751  354.213  161.676  431.675   99.520  129.245   34.674  152.897   18.416 -23.65175 39.26089 
1 1 1   27    4   13 o  109.566   20.934  219.419   71.571  318.524  155.605  192.826   80.604  120.738   34.651   98.394   23.500 22.34411 41.86854 
1 1 1   27    4   15 o  128.272   21.242  371.108   88.198  296.279  174.188  396.908  102.279  112.396   37.441  144.149   20.075 -31.75323 42.48374 
1 1 1   27    4   17 o   64.754   19.417   31.210   57.962  112.520  146.850   16.205   63.084   79.930   32.702   49.579   20.946 30.35082 38.83488 
1 1 1   27    5    0 o   84.191   16.347  134.386   49.699  134.965   76.891  133.970   65.133   84.406   24.397   83.976   21.765 0.4294205 32.69486 
1 1 1   27    5    2 o  315.771   25.182  1855.33  281.052   0.0000   0.0000  1855.33  281.052  ?   ?   315.771   25.182      ?      ? 
1 1 1   27    5    4 o  272.801   12.267  1349.78  118.239  1391.96  169.712  1309.99  164.825  276.944   17.338  268.658   17.358 8.286133 24.53398 
1 1 1   27    5    6 o  126.139   16.990  301.349   72.680  299.358   93.822  304.339  114.931  127.463   20.826  124.814   26.849 2.648346 33.97947 
1 1 1   27    5    8 f   85.507   15.596  142.407   49.032   93.868   70.659  187.488   68.095   71.813   23.843   99.201   20.110 -27.38742 31.19132 
1 1 1   27    5   10 o   97.326   19.664  160.339   60.304  253.168  134.639  137.044   67.447  110.732   32.364   83.920   22.343 26.81139 39.32732 
1 1 1   27    5   12 o  129.206   18.545  283.829   73.338  466.072  150.372  226.951   84.006  151.025   29.227  107.387   22.836 43.63838 37.09037 
1 1 1   27    5   14 o   65.793   18.091   67.531   60.648 -34.9211  127.793   97.315   68.902   60.505   27.475   71.080   23.542 -10.57482 36.18187 
1 1 1   27    5   16 o   66.977   18.481   54.753   75.693 -176.3419  148.306  136.156   88.020   52.989   25.666   80.965   26.599 -27.97534 36.96281 
1 1 1   27    6    1 o  177.881   20.964  692.899  104.965  449.980  202.927  781.633  122.646  147.883   38.461  207.879   16.693 -59.99597 41.92762 
1 1 1   27    6    3 o  196.137   12.605  708.432   86.047  586.825  124.129  820.927  119.388  179.146   19.604  213.128   15.849 -33.98218 25.20934 
1 1 1   27    6    5 o   52.379   14.445   26.729   40.231  -3.7547   56.467   58.155   57.334   44.858   19.402   59.900   21.406 -15.04206 28.89025 
1 1 1   27    6    7 o  125.634   18.168  321.861   75.029  361.037   92.983  248.745  127.026  140.254   18.757  111.015   31.121 29.23922 36.33618 
1 1 1   27    6    9 o   42.507   12.487   4.6496   31.676 -15.8288   43.114   28.667   46.691   36.540   16.328   48.474   18.896 -11.93365 24.97355 
1 1 1   27    6   11 o   51.093   13.937   33.354   36.149   48.484   50.832   17.874   51.419   55.067   20.091   47.119   19.322 7.947895 27.87483 
1 1 1   27    6   13 o   41.989   12.804   0.1687   34.630  -7.6695   51.060   6.8451   47.124   41.275   18.139   42.703   18.076 -1.428074 25.60790 
1 1 1   27    6   15 o   80.937   20.642  121.860   64.576  147.283  148.057  115.887   71.762   86.157   33.632   75.717   23.944 10.43960 41.28463 
1 1 1   27    7    0 o  252.589   15.048  1117.73  121.348  1300.87  234.052  1050.40  141.911  264.248   25.060  240.929   16.665 23.31836 30.09533 
1 1 1   27    7    2 o  127.360   15.020  325.607   61.751  181.966   90.661  449.910   84.338   96.810   25.962  157.910   15.111 -61.10001 30.03954 
1 1 1   27    7    4 o  114.455   14.605  245.383   57.647  270.788   81.799  220.315   81.253  121.613   19.031  107.298   22.159 14.31500 29.20938 
1 1 1   27    7    6 o  178.351   12.859  590.441   79.813  494.095  115.781  677.677  110.172  163.633   20.019  193.069   16.145 -29.43648 25.71831 
1 1 1   27    7    8 o  139.022   27.987  385.182  132.758   0.0000   0.0000  385.182  132.758  ?   ?   139.022   27.987      ?      ? 
1 1 1   27    7   10 o   71.456   13.913   84.656   41.769   14.670   55.850  173.487   62.921   47.953   19.946   94.960   19.403 -47.00773 27.82610 
1 1 1   27    7   12 o   78.502   15.570  121.707   45.294  141.914   64.745  102.338   63.386   84.572   21.587   72.432   22.443 12.13993 31.13995 
1 1 1   27    7   14 o  144.345   14.698  429.187   66.968  249.537   96.816  593.994   92.730  109.512   25.491  179.179   14.642 -69.66656 29.39675 
1 1 1   27    7   16 o   47.235   18.571   29.769   45.408   29.769   45.408   0.0000   0.0000   47.235   18.571  ?   ?       ?      ? 
1 1 1   27    8    1 o  191.954   15.217  648.529  100.075  560.325  124.268  811.287  168.805  174.747   20.120  209.161   22.834 -34.41440 30.43375 
1 1 1   27    8    3 o  104.998   15.172  211.170   55.062  172.132   80.648  245.255   75.359   94.179   24.122  115.818   18.409 -21.63949 30.34407 
1 1 1   27    8    5 o   93.102   21.373  151.437   65.270  187.576  163.260  144.562   71.208   99.831   36.069   86.374   22.939 13.45646 42.74554 
1 1 1   27    8    7 o  134.548   13.923  343.244   63.521  281.009   90.872  402.709   88.827  120.826   22.093  148.269   16.950 -27.44264 27.84619 
1 1 1   27    8    9 o  109.914   16.034  246.462   60.678  159.829   91.435  314.639   81.113   89.362   26.813  130.467   17.590 -41.10501 32.06762 
1 1 1   27    8   11 o  100.756   15.218  200.167   52.527  204.939   75.626  195.719   73.010  101.876   21.669   99.636   21.373 2.239944 30.43622 
1 1 1   27    8   13 o   57.795   15.178   52.809   41.549   35.842   55.932   73.702   62.065   52.196   20.582   63.394   22.312 -11.19754 30.35551 
1 1 1   27    8   15 o   43.732   12.356   4.3112   31.376 -32.3302   41.214   54.818   48.388   32.123   14.950   55.341   19.677 -23.21830 24.71196 
1 1 1   27    9    0 f  168.558   22.545  568.441  126.463  526.108  205.457  594.263  160.462  159.382   37.157  177.734   25.543 -18.35255 45.09025 
1 1 1   27    9    2 o  304.322   12.447  1704.26  132.626  1486.49  191.152  1906.40  184.166  284.618   19.002  324.025   16.081 -39.40646 24.89312 
1 1 1   27    9    4 o  103.524   16.643  208.214   58.877  210.591   91.429  206.529   76.957  103.471   25.228  103.577   21.715 -0.1059799 33.28677 
1 1 1   27    9    6 o   97.965   15.393  187.055   52.158  152.225   73.586  222.220   73.940   88.129   23.278  107.800   20.147 -19.67046 30.78548 
1 1 1   27    9    8 o   66.134   15.666   56.690   43.471   17.536   52.412  143.002   77.817   47.360   19.475   84.908   24.544 -37.54829 31.33178 
1 1 1   27    9   10 o   46.238   13.585   14.274   36.900   29.042   47.273  -8.7551   59.031   48.279   18.959   44.197   19.461 4.082973 27.16947 
1 1 1   27    9   12 o   49.749   14.091   28.853   37.097   26.846   48.118   31.794   58.246   47.655   18.995   51.843   20.818 -4.187927 28.18150 
1 1 1   27    9   14 o   41.953   12.894   0.0920   34.872  -2.4843   44.786   4.0591   55.575   39.243   17.123   44.663   19.283 -5.419838 25.78809 
1 1 1   27   10    1 o  174.623   23.039  787.275  116.950  300.645  230.413  956.148  135.734  120.227   42.918  229.019   16.769 -108.7921 46.07764 
1 1 1   27   10    3 o   90.652   19.311  173.291   65.272   78.933  141.742  198.686   73.533   79.695   32.308  101.608   21.163 -21.91258 38.62235 
1 1 1   27   10    5 o   52.154   16.497  -7.8385   49.640 -18.7289  115.974  -5.3958   54.926   60.706   26.976   43.602   18.996 17.10455 32.99324 
1 1 1   27   10    7 o  122.838   19.843  356.308   81.507  179.436  159.280  419.054   94.869   95.447   35.437  150.230   17.867 -54.78336 39.68650 
1 1 1   27   10    9 o   27.769   13.599 -83.4892   44.944   0.0000   0.0000 -83.4892   44.944  ?   ?    27.769   13.599      ?      ? 
1 1 1   27   10   11 o   66.516   18.892   63.829   58.582   60.534  130.238   64.664   65.592   71.595   30.164   61.438   22.755 10.15652 37.78414 
1 1 1   27   10   13 o   72.976   19.893   98.641   75.557   19.144  133.283  136.286   91.718   65.678   29.065   80.275   27.169 -14.59715 39.78607 
1 1 1   27   11    0 o  129.523   20.995  289.274   88.754  502.372  167.203  205.674  104.727  157.643   31.113  101.404   28.198 56.23947 41.98986 
1 1 1   27   11    2 o   85.202   29.388  137.076  107.404   0.0000   0.0000  137.076  107.404  ?   ?    85.202   29.388      ?      ? 
1 1 1   27   11    4 o  133.829   18.959  333.225   89.679   0.0000   0.0000  333.225   89.679  ?   ?   133.829   18.959      ?      ? 
1 1 1   27   11    6 o  128.309   20.415  328.289   79.447  354.305  167.229  320.706   90.286  126.052   35.838  130.566   19.565 -4.513580 40.83090 
1 1 1   27   11    8 o   68.556   18.474   80.030   59.879   29.677  119.480   96.918   69.195   66.232   28.431   70.880   23.598 -4.647667 36.94815 
1 1 1   27   11   10 o  102.281   23.564  214.893   83.433   0.0000   0.0000  214.893   83.433  ?   ?   102.281   23.564      ?      ? 
1 1 1   27   11   12 o   62.080   17.956   55.343   56.681   14.972  123.923   66.023   63.739   63.351   28.031   60.810   22.449 2.541145 35.91215 
1 1 1   27   12    1 o   69.095   17.653   86.290   56.277 -84.1423  142.194  117.945   61.281   60.335   27.973   77.854   21.542 -17.51941 35.30631 
1 1 1   27   12    3 o   60.868   18.176   33.813   54.893  -0.0005  134.346   40.590   60.143   66.607   29.343   55.128   21.458 11.47933 36.35214 
1 1 1   27   12    5 o  153.631   20.347  530.452   94.381  381.938  174.688  591.675  112.160  129.368   36.576  177.894   17.838 -48.52591 40.69419 
1 1 1   27   12    7 o   82.582   19.509  146.493   66.921   51.668  145.040  172.140   75.430   73.184   31.367   91.979   23.204 -18.79503 39.01711 
1 1 1   27   12    9 o  158.090   19.482  542.646   94.263  478.495  171.591  570.374  112.810  143.471   34.303  172.710   18.480 -29.23918 38.96418 
1 1 1   27   13    0 o   74.904   15.716  116.144   59.372 -162.3384  129.848  189.756   66.759   50.753   24.442   99.056   19.761 -48.30229 31.43129 
1 1 1   27   13    2 o   92.144   18.618  193.312   66.664   66.147  135.469  233.946   76.578   74.702   31.067  109.585   20.525 -34.88304 37.23539 
1 1 1   27   13    4 o  153.318   17.883  448.258   85.763  535.243  162.794  414.843  100.900  158.814   30.104  147.822   19.312 10.99228 35.76603 
1 1 1   27   13    6 o   59.159   16.765   47.376   53.535 -54.6341  114.617   75.840   60.545   54.626   25.251   63.692   22.060 -9.066181 33.52998 
1 1 1   27   13    8 o  103.886   19.690  232.766   69.072  241.758  131.051  229.307   81.278  101.938   32.370  105.833   22.426 -3.894272 39.37963 
1 1 1   27   14    1 o   60.828   17.268   51.666   49.408   7.3395  116.924   61.302   54.515   62.678   27.499   58.978   20.895 3.700188 34.53696 
1 1 1   27   14    3 o  130.563   18.652  317.628   76.742  464.186  146.872  262.589   90.005  147.296   29.243  113.830   23.159 33.46618 37.30301 
1 1 1   27   14    5 o  104.443   19.768  244.096   70.999  211.649  135.858  256.287   83.275   96.132   33.059  112.754   21.684 -16.62173 39.53553 
1 1 1   27   15    0 o   67.177   18.238   58.196   50.993  130.923  113.214   39.687   57.115   81.014   29.916   53.340   20.870 27.67355 36.47675 
1 1 1   27   15    2 o  111.014   19.219  302.770   78.498  139.967  148.671  365.700   92.432   84.124   33.434  137.904   18.964 -53.77982 38.43762 
1 1 1   27   15    4 o   83.092   23.361  144.610   71.471   0.0000   0.0000  144.610   71.471  ?   ?    83.092   23.361      ?      ? 
1 1 1   28    0    0 o   46.663   18.124   55.517   60.926   55.517   60.926   55.517   60.926   46.663   25.631   46.663   25.631 -0.000000 0.000000 
1 1 1   28    0    2 o  181.667   12.365  607.099  109.888  607.099  109.888  607.099  109.888  181.667   17.486  181.667   17.486 -0.000000 0.000000 
1 1 1   28    0    6 o   47.173   18.237   57.755   61.365   57.755   61.365   57.755   61.365   47.173   25.791   47.173   25.791 -0.000000 0.000000 
1 1 1   28    0    8 o   96.041   19.860  205.794   82.800  205.794   82.800  205.794   82.800   96.041   28.086   96.041   28.086 -0.000000 0.000000 
1 1 1   28    0   10 o   43.122   17.540   44.830   60.522   44.830   60.522   44.830   60.522   43.122   24.806   43.122   24.806 -0.000000 0.000000 
1 1 1   28    0   12 o   30.129   14.022  -6.9769   53.707  -6.9769   53.707  -6.9769   53.707   30.129   19.829   30.129   19.829 -0.000000 0.000000 
1 1 1   28    0   14 o   57.430   20.371   93.697   71.734   93.697   71.734   93.697   71.734   57.430   28.809   57.430   28.809 -0.000000 0.000000 
1 1 1   28    0   16 o   40.760   17.406   35.767   64.932   35.767   64.932   35.767   64.932   40.760   24.616   40.760   24.616 -0.000000 0.000000 
1 1 1   28    1    1 o   51.635   14.071   27.164   38.452  -8.1396   55.755   59.187   53.101   43.819   19.113   59.452   20.655 -15.63312 28.14142 
1 1 1   28    1    3 o  125.406   19.451  309.870   77.388  285.080  147.933  319.210   90.804  118.780   33.685  132.033   19.458 -13.25288 38.90156 
1 1 1   28    1    5 o  164.822   14.686  476.436   82.935  611.271  139.986  403.514  102.947  181.508   21.821  148.135   19.662 33.37289 29.37255 
1 1 1   28    1    7 o  145.603   18.384  403.651   82.882  425.748  156.922  395.102   97.608  144.723   31.567  146.484   18.853 -1.760147 36.76787 
1 1 1   28    1    9 o  177.176   13.097  580.763   81.999  564.498  115.276  597.423  116.666  174.597   18.680  179.755   18.363 -5.157852 26.19447 
1 1 1   28    1   11 o  178.406   13.685  597.395   86.164  558.526  121.217  637.093  122.502  172.234   19.912  184.578   18.778 -12.34373 27.36982 
1 1 1   28    1   13 o   60.657   16.771   40.135   52.638   4.2666   67.223   96.984   84.630   49.140   21.211   72.175   25.984 -23.03437 33.54276 
1 1 1   28    1   15 o   75.601   17.797  116.542   55.611  116.530   76.279  116.557   81.248   75.534   24.759   75.669   25.572 -0.1348419 35.59356 
1 1 1   28    2    0 o   59.733   14.305   53.191   39.770   99.697   55.439   3.8851   57.083   72.764   20.616   46.702   19.838 26.06255 28.61097 
1 1 1   28    2    2 o  111.556   15.357  236.773   58.280  231.316   84.780  241.663   80.248  110.033   22.557  113.079   20.846 -3.046005 30.71485 
1 1 1   28    2    4 o  125.899   33.675  323.169  152.769  323.169  152.769   0.0000   0.0000  125.899   33.675  ?   ?       ?      ? 
1 1 1   28    2    6 o  135.910   20.373  424.935   88.939  219.951  166.806  506.360  105.130  105.516   36.611  166.304   17.886 -60.78884 40.74650 
1 1 1   28    2    8 o  117.905   15.226  264.891   61.905  240.007   88.084  289.176   87.018  110.979   23.203  124.830   19.723 -13.85018 30.45271 
1 1 1   28    2   10 o   93.576   17.309  175.049   58.410  204.366   82.542  145.642   82.667  101.571   23.465   85.582   25.453 15.98900 34.61868 
1 1 1   28    2   12 o  139.057   15.276  381.856   70.841  280.074  100.600  481.975   99.775  117.521   24.988  160.592   17.578 -43.07177 30.55187 
1 1 1   28    2   14 o   81.468   16.499  119.049   55.368   40.196   72.557  228.982   85.671   57.182   23.139  105.753   23.527 -48.57111 32.99887 
1 1 1   28    3    1 o  181.767   12.770  601.533   81.987  595.666  117.719  607.059  114.253  180.799   18.422  182.735   17.690 -1.935913 25.54002 
1 1 1   28    3    3 o   93.839   17.983  170.352   59.545  170.386   74.274  170.289   99.617   94.060   22.619   93.618   27.963 0.4415283 35.96616 
1 1 1   28    3    5 o   64.816   16.818   62.913   50.024   45.686   64.926   88.078   78.471   58.276   22.402   71.356   25.091 -13.08075 33.63654 
1 1 1   28    3    7 o  154.043   17.231  480.751   84.313  371.954  138.670  544.559  106.197  135.744   29.726  172.343   17.434 -36.59904 34.46155 
1 1 1   28    3    9 o  118.691   15.559  275.241   62.748  195.298   88.736  355.194   88.742   98.846   25.295  138.536   18.124 -39.69051 31.11724 
1 1 1   28    3   11 f   54.726   15.215   38.008   43.698   54.314   57.242   15.233   67.650   57.826   21.286   51.627   21.745 6.198997 30.42942 
1 1 1   28    3   13 o   74.354   16.978  109.037   51.499   85.665   72.488  132.857   73.178   67.913   24.091   80.796   23.929 -12.88252 33.95521 
1 1 1   28    3   15 o   75.535   17.010  110.910   52.651   69.505   70.113  164.453   79.731   62.810   23.473   88.261   24.625 -25.45104 34.02051 
1 1 1   28    4    0 o  214.315   14.581  836.212  105.242  867.060  179.296  819.997  129.992  216.118   23.472  212.513   17.307 3.605103 29.16289 
1 1 1   28    4    2 o  180.794   18.359  610.052  116.425  723.826  173.104  516.075  157.323  196.484   24.926  165.105   26.960 31.37947 36.71710 
1 1 1   28    4    4 o   48.863   13.145   10.850   35.550   69.821   52.892 -37.7413   48.013   62.500   20.623   35.225   16.304 27.27528 26.28947 
1 1 1   28    4    6 o   74.266   17.226   94.394   54.077   51.635   72.325  148.605   81.437   61.306   23.624   87.226   25.078 -25.91935 34.45242 
1 1 1   28    4    8 o   72.259   17.544  101.143   57.354 -76.4341  139.761  137.103   62.893   60.581   27.962   83.936   21.195 -23.35543 35.08730 
1 1 1   28    4   10 o   94.486   15.881  175.741   52.877  132.922   72.697  223.845   77.053   81.830   23.743  107.143   21.098 -25.31333 31.76227 
1 1 1   28    4   12 o   60.332   15.845   59.674   45.281   47.577   63.762   71.982   64.315   57.176   22.139   63.489   22.674 -6.313156 31.68977 
1 1 1   28    4   14 o   74.473   18.274   73.349   54.705   30.413   62.960  205.642  110.515   52.535   21.444   96.412   29.595 -43.87628 36.54715 
1 1 1   28    5    1 o   55.215   21.348   38.854   59.213   0.0000   0.0000   38.854   59.213  ?   ?    55.215   21.348      ?      ? 
1 1 1   28    5    3 o  125.245   14.782  296.582   63.164  248.993   90.059  342.654   88.613  113.675   23.200  136.815   18.325 -23.14006 29.56457 
1 1 1   28    5    5 o   95.045   20.574  141.713   61.001  256.858  148.124  118.195   66.942  111.675   34.260   78.416   22.793 33.25924 41.14879 
1 1 1   28    5    7 o   62.582   14.856   66.200   44.061  -7.6936   71.784  110.867   55.811   49.386   21.610   75.779   20.390 -26.39322 29.71119 
1 1 1   28    5    9 o   64.899   15.884   75.692   44.704   60.961   67.291   87.330   59.810   61.794   23.015   68.003   21.897 -6.209164 31.76798 
1 1 1   28    5   11 o   77.285   15.802  116.418   46.417  152.760   68.462   85.498   63.148   87.334   22.147   67.235   22.545 20.09849 31.60325 
1 1 1   28    5   13 o   68.167   13.618   65.756   43.559 -26.6422   58.361  181.958   65.448   40.628   18.495   95.706   19.993 -55.07784 27.23545 
1 1 1   28    6    0 o  102.876   19.816  145.453   60.846  346.388  148.438  104.873   66.708  130.967   32.275   74.784   22.999 56.18311 39.63144 
1 1 1   28    6    2 o   76.976   14.050  104.801   44.941   17.067   62.459  198.985   64.714   51.124   21.164  102.828   18.486 -51.70430 28.10078 
1 1 1   28    6    4 o   75.099   20.935   49.246   56.707  166.385  165.190   33.598   60.375   96.175   36.013   54.023   21.358 42.15276 41.87023 
1 1 1   28    6    6 o   93.290   24.154  171.827   80.267  171.827   80.267   0.0000   0.0000   93.290   24.154  ?   ?       ?      ? 
1 1 1   28    6    8 o  127.829   14.346  312.754   62.710  291.694   92.910  330.376   84.989  122.282   22.319  133.376   18.029 -11.09357 28.69135 
1 1 1   28    6   10 o  134.158   13.745  342.703   61.335  466.217   90.776  238.945   83.200  158.570   16.197  109.745   22.212 48.82529 27.48998 
1 1 1   28    6   12 o   87.511   15.485  159.543   49.954   97.166   73.521  213.034   68.084   70.727   24.319  104.295   19.176 -33.56707 30.97045 
1 1 1   28    6   14 o   64.236   15.673   71.292   47.199  125.552   66.961   17.716   66.538   77.818   22.847   50.654   21.463 27.16375 31.34678 
1 1 1   28    7    1 o   73.505   17.486   88.156   51.067   67.113   61.759  133.649   90.806   63.114   22.253   83.897   26.978 -20.78286 34.97108 
1 1 1   28    7    3 o   46.481   13.265   14.044   35.705   42.400   47.197 -23.8990   54.596   52.647   19.336   40.315   18.166 12.33142 26.53080 
1 1 1   28    7    5 o  130.836   15.098  324.665   67.032  407.967   97.952  251.292   91.930  148.465   18.667  113.207   23.734 35.25762 30.19516 
1 1 1   28    7    7 o   47.143   14.384   6.3784   38.835   10.850   44.611  -7.6125   78.914   42.838   17.823   51.449   22.582 -8.611595 28.76778 
1 1 1   28    7    9 f   52.184   12.686   9.5201   34.408 -49.6495   43.745  105.510   55.718   31.106   14.761   73.262   20.637 -42.15588 25.37253 
1 1 1   28    7   11 o   49.161   13.177   16.962   36.046   74.543   52.177 -35.6136   49.857   62.510   20.476   35.812   16.590 26.69832 26.35304 
1 1 1   28    7   13 o   58.674   15.131   59.257   41.731   81.479   58.513   36.254   59.534   64.627   21.702   52.722   21.091 11.90433 30.26177 
1 1 1   28    8    0 o  150.050   22.348  429.105  111.252  572.365  188.864  352.981  137.672  167.702   33.039  132.398   30.101 35.30429 44.69503 
1 1 1   28    8    2 o  151.514   12.867  426.175   68.221  379.489   99.613  467.417   93.624  143.113   19.693  159.915   16.565 -16.80109 25.73338 
1 1 1   28    8    4 o   58.817   15.080   54.775   41.222   74.461   57.452   33.889   59.179   64.138   21.504   53.496   21.147 10.64256 30.15968 
1 1 1   28    8    6 o  101.258   15.611  202.600   54.374  176.089   77.696  228.047   76.121   94.031   23.456  108.485   20.606 -14.45478 31.22145 
1 1 1   28    8    8 o  115.844   21.198  263.210   83.597   0.0000   0.0000  263.210   83.597  ?   ?   115.844   21.198      ?      ? 
1 1 1   28    8   10 o   51.400   14.441   33.372   38.747   33.682   50.375   32.924   60.634   50.086   19.599   52.715   21.215 -2.629047 28.88235 
1 1 1   28    8   12 o   57.848   15.499   55.137   43.291   52.406   57.752   58.641   65.406   56.349   21.255   59.347   22.563 -2.998386 30.99764 
1 1 1   28    9    1 o  118.419   14.667  264.102   60.027  288.905   88.018  242.536   82.074  124.631   19.981  112.208   21.477 12.42282 29.33476 
1 1 1   28    9    3 f   76.872   14.995  112.238   45.679   51.011   64.637  173.321   64.561   58.976   22.428   94.767   19.908 -35.79109 29.98909 
1 1 1   28    9    5 o   87.421   16.182  152.085   50.594  148.264   72.237  155.764   70.884   86.277   23.190   88.566   22.577 -2.289246 32.36493 
1 1 1   28    9    7 o   50.207   13.919   24.553   38.671   60.389   53.002 -16.2414   56.549   58.542   20.618   41.872   18.706 16.67064 27.83882 
1 1 1   28    9    9 o   64.171   15.726   75.020   44.547   49.545   62.732  100.933   63.269   57.093   22.001   71.249   22.478 -14.15657 31.45283 
1 1 1   28    9   11 o   56.153   14.816   51.790   40.813   72.973   53.600   22.562   62.960   61.644   20.770   50.663   21.134 10.98049 29.63192 
1 1 1   28   10    0 f   68.871   20.422   49.341   54.743   38.036  182.916   50.453   57.373   80.517   34.872   57.226   21.264 23.29030 40.84367 
1 1 1   28   10    2 o  127.653   20.922  305.094   77.361  384.258  178.977  286.906   85.789  131.531   36.964  123.775   19.610 7.756004 41.84401 
1 1 1   28   10    4 o   84.744   22.711  143.227   69.403   0.0000   0.0000  143.227   69.403  ?   ?    84.744   22.711      ?      ? 
1 1 1   28   10    6 o   95.803   21.332  156.710   67.245  290.243  154.303  125.405   74.712  112.699   35.032   78.908   24.352 33.79139 42.66486 
1 1 1   28   10    8 o   85.658   21.365  143.174   77.439  205.880  132.770  110.844   95.335   95.795   32.688   75.520   27.520 20.27557 42.72993 
1 1 1   28   10   10 o   60.866   17.403   54.674   55.172 -12.6739  118.628   73.262   62.322   59.156   26.704   62.576   22.323 -3.419910 34.80556 
1 1 1   28   11    1 o   88.155   19.170  175.540   68.485   0.0002  162.832  213.265   75.486   71.905   31.958  104.404   21.181 -32.49860 38.33977 
1 1 1   28   11    3 o   99.282   22.344  196.767   76.514   0.0000   0.0000  196.767   76.514  ?   ?    99.282   22.344      ?      ? 
1 1 1   28   11    5 f   69.002   19.679   56.403   58.242  119.290  141.655   43.609   63.892   81.909   32.610   56.096   22.037 25.81346 39.35727 
1 1 1   28   11    7 o   99.066   21.036  206.667   69.911  231.519  156.009  200.423   78.203   99.297   35.329   98.835   22.844 0.4620590 42.07157 
1 1 1   28   12    0 o   72.995   18.274  102.237   53.759   32.780  132.372  115.955   58.828   69.403   29.862   76.586   21.072 -7.183029 36.54795 
1 1 1   28   12    2 o  158.583   21.881  613.667  101.612  387.226  201.479  690.908  117.673  125.260   40.175  191.905   17.349 -66.64520 43.76105 
1 1 1   28   12    4 o   83.341   23.060  142.262   70.224   0.0000   0.0000  142.262   70.224  ?   ?    83.341   23.060      ?      ? 
1 1 1   28   12    6 o   74.142   18.182  115.755   63.164  -8.1777  129.408  154.515   72.370   62.099   27.975   86.185   23.231 -24.08648 36.36328 
1 1 1   28   13    1 o  107.757   19.051  300.967   82.283   32.512  174.467  377.761   93.313   74.776   33.164  140.739   18.759 -65.96257 38.10214 
1 1 1   28   13    3 o   93.639   20.156  170.154   63.655  244.176  134.761  148.895   72.219  102.544   32.853   84.733   23.361 17.81078 40.31219 
1 1 1   28   14    0 o   69.608   17.986   96.264   57.441 -44.8536  145.779  122.200   62.497   61.860   28.554   77.357   21.879 -15.49746 35.97281 
1 1 1   28   14    2 o   88.013   22.948  161.715   72.119   0.0000   0.0000  161.715   72.119  ?   ?    88.013   22.948      ?      ? 
1 1 1   29    0    1 o   35.623   15.463   19.830   53.097   19.830   53.097   19.830   53.097   35.623   21.868   35.623   21.868 -0.000000 0.000000 
1 1 1   29    0    3 o   54.482   23.072   64.099  112.175   64.099  112.175   64.099  112.175   54.482   32.629   54.482   32.629 -0.000000 0.000000 
1 1 1   29    0    5 o  229.404   12.399  965.292  140.262  965.292  140.262  965.292  140.262  229.404   17.534  229.404   17.534 -0.000000 0.000000 
1 1 1   29    0    7 o  185.118   18.648  671.104  162.419  671.104  162.419  671.104  162.419  185.118   26.372  185.118   26.372 -0.000000 0.000000 
1 1 1   29    0    9 o   36.701   16.021   21.664   57.723   21.664   57.723   21.664   57.723   36.701   22.657   36.701   22.657 -0.000000 0.000000 
1 1 1   29    0   11 o   75.671   20.399  145.666   72.665  145.666   72.665  145.666   72.665   75.671   28.849   75.671   28.849 -0.000000 0.000000 
1 1 1   29    0   13 o   41.327   17.874   34.169   70.373   34.169   70.373   34.169   70.373   41.327   25.278   41.327   25.278 -0.000000 0.000000 
1 1 1   29    1    0 o   62.950   15.315   67.427   41.552   52.899   57.792   82.975   59.785   58.419   21.406   67.480   21.909 -9.060211 30.63049 
1 1 1   29    1    2 o   71.537   15.970   92.644   46.096  125.280   67.569   64.231   63.045   80.595   22.734   62.480   22.434 18.11580 31.93964 
1 1 1   29    1    4 o  149.845   20.116  445.669  101.947  424.453  135.314  473.522  155.041  146.396   27.151  153.294   29.688 -6.897858 40.23134 
1 1 1   29    1    6 o   52.641   14.796   29.097   41.791   49.693   60.074   9.7815   58.175   57.554   21.685   47.728   20.137 9.826195 29.59297 
1 1 1   29    1    8 f   69.987   16.518   92.495   47.994   85.685   67.462   99.474   68.294   68.029   23.300   71.944   23.419 -3.915337 33.03564 
1 1 1   29    1   10 o  126.701   14.880  312.305   65.155  289.136   90.328  337.433   94.072  120.632   21.996  132.770   20.047 -12.13857 29.76064 
1 1 1   29    1   12 o   71.717   15.708   88.731   50.066   15.108   67.821  176.900   74.219   50.777   21.598   92.657   22.815 -41.87985 31.41630 
1 1 1   29    2    1 o  168.805   12.704  523.596   75.515  482.155  108.083  563.117  105.549  161.948   18.883  175.663   17.000 -13.71484 25.40793 
1 1 1   29    2    3 o  142.656   16.035  371.872   78.321  341.471   97.700  426.540  131.014  135.548   20.393  149.764   24.751 -14.21606 32.06997 
1 1 1   29    2    5 o   72.634   17.571   86.209   55.374  144.340   86.794   46.307   71.909   85.592   26.220   59.676   23.399 25.91614 35.14204 
1 1 1   29    2    7 o   45.553   13.776  -7.1779   40.429 -37.8440   53.705   32.928   61.417   37.489   17.314   53.617   21.431 -16.12737 27.55119 
1 1 1   29    2    9 o   55.448   15.735   36.993   46.837   45.014   60.948   25.422   73.199   55.986   21.655   54.909   22.836 1.077351 31.47091 
1 1 1   29    2   11 o  119.984   17.941  307.097   74.340  232.491  113.115  363.823   98.633  102.848   29.552  137.120   20.352 -34.27216 35.88151 
1 1 1   29    3    0 o  102.226   15.907  201.805   55.643  201.027   83.544  202.426   74.597  101.662   23.690  102.789   21.236 -1.126823 31.81418 
1 1 1   29    3    2 o  158.279   19.480  483.137  106.115  561.867  159.797  421.032  141.927  171.213   26.407  145.346   28.646 25.86659 38.96025 
1 1 1   29    3    4 o  260.055   15.497  1294.75  134.262  1347.75  166.982  1197.84  225.818  270.622   17.458  249.488   25.609 21.13393 30.99319 
1 1 1   29    3    6 o   44.871   13.377 -13.7596   38.354 -54.5878   49.934   44.985   59.896   33.530   15.870   56.213   21.539 -22.68275 26.75403 
1 1 1   29    3    8 o   85.237   17.842  150.366   60.092   95.199   92.793  190.212   78.862   73.171   27.072   97.302   23.249 -24.13062 35.68449 
1 1 1   29    3   10 o   52.695   14.038  -4.0288   43.803 -88.1177   58.507  103.226   66.076   33.251   16.110   72.138   22.994 -38.88676 28.07529 
1 1 1   29    3   12 o   61.471   16.343   63.428   49.501   87.910   67.278   34.530   73.094   67.206   23.255   55.736   22.968 11.47043 32.68534 
1 1 1   29    4    1 o  114.342   19.021  244.289   67.552  292.037  136.576  228.825   77.725  119.301   31.809  109.382   20.866 9.919189 38.04180 
1 1 1   29    4    3 o   30.343   10.063 -55.7837   28.300  -9.6386   41.725 -95.0991   38.514   37.075   16.342   23.610   11.747 13.46542 20.12575 
1 1 1   29    4    5 o  114.254   17.909  265.351   69.412  284.203   89.521  236.931  109.916  121.096   21.714  107.412   28.487 13.68385 35.81865 
1 1 1   29    4    7 o  143.054   17.022  310.174   72.971  625.973  162.875  230.868   81.621  177.973   25.893  108.134   22.102 69.83911 34.04324 
1 1 1   29    4    9 o   58.689   20.866 -77.4730   27.089 -123.0046   31.235   60.689   54.411  ?   ?    58.689   20.866      ?      ? 
1 1 1   29    4   11 o   61.662   15.659   60.714   46.495   15.083   64.714  109.401   66.846   49.875   21.151   73.450   23.095 -23.57458 31.31709 
1 1 1   29    5    0 o   64.189   15.280   64.255   53.749 -205.6471  121.080  130.495   59.983   46.101   22.522   82.277   20.657 -36.17566 30.56082 
1 1 1   29    5    2 o  174.772   13.757  579.443   82.008  416.771  116.842  737.384  115.130  148.761   22.222  200.784   16.223 -52.02348 27.51420 
1 1 1   29    5    4 o   78.695   14.493  122.220   46.430   32.978   69.082  195.742   62.703   55.938   22.598  101.452   18.153 -45.51363 28.98627 
1 1 1   29    5    6 o  147.791   18.337  435.727   93.187  380.519  130.300  493.527  133.324  136.000   28.039  159.582   23.638 -23.58188 36.67328 
1 1 1   29    5    8 o   37.389   11.598 -22.4000   30.508 -53.1338   39.798   21.394   47.507   28.594   13.709   46.184   18.711 -17.58992 23.19529 
1 1 1   29    5   10 o   49.219   13.991   26.757   37.638   12.349   53.000   41.416   53.460   45.663   19.241   52.774   20.317 -7.111320 27.98211 
1 1 1   29    6    1 o  200.361   15.170  724.642  104.821  628.019  131.749  891.297  173.028  183.469   20.317  217.254   22.534 -33.78418 30.34051 
1 1 1   29    6    3 o   66.521   17.273   70.446   50.098   63.256   60.176   86.685   90.431   61.176   21.923   71.867   26.698 -10.69095 34.54548 
1 1 1   29    6    5 o   48.890   13.877   19.582   38.610   49.754   52.400 -16.2588   57.110   55.535   20.378   42.245   18.841 13.28963 27.75318 
1 1 1   29    6    7 o   88.134   16.805  159.641   53.265  144.583   84.170  169.699   68.792   84.058   25.832   92.211   21.503 -8.153763 33.61030 
1 1 1   29    6    9 o   43.142   12.906   7.3305   34.485   22.395   46.230 -11.5674   51.779   45.777   18.488   40.507   18.011 5.270302 25.81148 
1 1 1   29    6   11 o   42.604   12.986   3.4159   35.624  -3.7211   51.197   10.115   49.600   41.482   18.198   43.726   18.529 -2.244522 25.97118 
1 1 1   29    7    0 o  141.970   22.430  387.201  106.546  555.058  182.156  299.908  131.360  163.564   32.653  120.377   30.760 43.18681 44.85970 
1 1 1   29    7    2 o  149.256   12.943  415.041   68.077  389.193   97.690  439.445   94.921  144.383   19.143  154.129   17.424 -9.746185 25.88569 
1 1 1   29    7    4 o  108.098   15.242  242.119   57.369  115.297   83.154  357.311   79.250   77.127   25.871  139.068   16.123 -61.94183 30.48371 
1 1 1   29    7    6 o   54.554   15.457   20.794   40.746   1.0332   47.098   79.593   81.242   41.299   17.791   67.809   25.282 -26.51019 30.91457 
1 1 1   29    7    8 o   62.811   16.046   70.751   45.566   65.918   61.824   76.499   67.420   61.023   22.173   64.598   23.199 -3.574291 32.09131 
1 1 1   29    7   10 o  134.527   15.167  372.768   67.333  266.686   97.848  468.179   92.797  112.024   25.310  157.031   16.720 -45.00717 30.33356 
1 1 1   29    8    1 o   79.359   14.499  121.274   45.500   45.165   64.453  196.883   64.241   57.308   22.240  101.409   18.609 -44.10107 28.99832 
1 1 1   29    8    3 o   60.529   15.426   62.494   42.737   76.782   57.192   44.426   64.312   64.232   21.456   56.825   22.170 7.407669 30.85233 
1 1 1   29    8    5 o   72.267   16.270  102.492   47.499  123.507   66.310   80.345   68.071   78.393   22.656   66.141   23.358 12.25203 32.54018 
1 1 1   29    8    7 o  146.189   23.258  496.910  118.082  408.041  188.642  554.165  151.416  127.834   38.548  164.543   26.036 -36.70882 46.51667 
1 1 1   29    8    9 o   89.539   16.655  168.482   53.521  180.541   75.292  156.164   76.094   93.068   23.017   86.009   24.078 7.058144 33.30998 
1 1 1   29    9    0 o   59.562   14.489   54.742   40.076   11.057   55.692  101.654   57.712   46.903   19.741   72.221   21.212 -25.31783 28.97711 
1 1 1   29    9    2 o   72.785   17.823   96.795   52.639   90.356   63.009  111.673   95.773   68.683   22.502   76.888   27.646 -8.204887 35.64610 
1 1 1   29    9    4 o   72.028   15.694   97.589   47.784   40.748   67.292  155.405   67.866   56.261   22.451   87.795   21.934 -31.53490 31.38712 
1 1 1   29    9    6 o   45.534   14.009  -7.7641   39.008 -24.9129   46.595   32.414   71.321   35.945   16.426   55.123   22.698 -19.17804 28.01823 
1 1 1   29   10    1 o  122.540   21.640  272.578   75.284  427.953  183.771  241.244   82.527  134.992   37.285  110.089   21.979 24.90266 43.28085 
1 1 1   29   10    3 o   72.718   18.409  106.426   62.697 -66.6679  154.101  140.762   68.634   62.331   28.975   83.106   22.717 -20.77488 36.81821 
1 1 1   29   10    5 o  137.278   20.719  362.258   82.898  507.721  184.712  325.570   92.765  145.284   36.125  129.272   20.303 16.01253 41.43900 
1 1 1   29   11    0 o   65.838   18.985   52.550   53.252   84.555  138.358   46.985   57.697   76.239   31.526   55.436   21.164 20.80274 37.97086 
1 1 1   29   11    2 o  103.935   20.524  236.980   69.655  223.564  157.086  240.263   77.712   98.108   35.391  109.761   20.793 -11.65347 41.04715 
1 1 1   29   11    4 o   98.079   20.231  233.660   72.273  124.803  171.863  257.046   79.659   82.954   34.784  113.204   20.671 -30.24948 40.46282 
1 1 1   29   12    1 o  122.242   23.474  367.139  108.912  255.881  169.684  445.086  142.028  101.948   36.782  142.535   29.175 -40.58698 46.94757 
1 1 1   30    0    0 o   24.319   11.734 -25.4241   44.344 -25.4241   44.344 -25.4241   44.344   24.319   16.595   24.319   16.595 -0.000000 0.000000 
1 1 1   30    0    2 o   59.747   23.822   96.213  108.595   96.213  108.595   96.213  108.595   59.747   33.689   59.747   33.689 -0.000000 0.000000 
1 1 1   30    0    4 o   71.515   20.033  130.616   69.005  130.616   69.005  130.616   69.005   71.515   28.331   71.515   28.331 -0.000000 0.000000 
1 1 1   30    0    6 o   49.488   22.188   34.043  118.811   34.043  118.811   34.043  118.811   49.488   31.379   49.488   31.379 -0.000000 0.000000 
1 1 1   30    0    8 o   62.270   20.605  108.799   71.686  108.799   71.686  108.799   71.686   62.270   29.140   62.270   29.140 -0.000000 0.000000 
1 1 1   30    1    1 o  118.520   14.411  270.034   57.508  190.870   79.936  354.964   82.796   98.227   23.365  138.812   16.876 -40.58537 28.82186 
1 1 1   30    1    3 o   29.003   14.159 -84.3790   47.602 -84.3790   47.602   0.0000   0.0000   29.003   14.159  ?   ?       ?      ? 
1 1 1   30    1    5 o   70.526   16.378   95.380   47.870   74.154   68.522  115.616   66.904   64.798   23.374   76.254   22.948 -11.45522 32.75637 
1 1 1   30    1    7 o   49.259   14.182   15.099   41.021   54.519   58.687 -22.5581   57.360   57.574   21.484   40.944   18.518 16.62998 28.36355 
1 1 1   30    1    9 o   70.714   16.997   99.843   50.809   94.679   73.600  104.545   70.229   69.488   24.307   71.940   23.765 -2.451134 33.99434 
1 1 1   30    2    0 o   58.581   12.651   35.084   37.288 -46.3664   50.832  129.978   54.867   35.098   16.423   82.064   19.249 -46.96674 25.30264 
1 1 1   30    2    2 o   94.066   21.806  171.546   79.999  220.357  138.900  147.318   97.859  102.129   33.407   86.003   28.036 16.12515 43.61199 
1 1 1   30    2    4 o   89.408   20.051  149.715   70.330  103.149   87.997  232.058  117.017   74.416   26.527  104.400   30.074 -29.98425 40.10195 
1 1 1   30    2    6 o   63.652   15.646   59.005   49.931 -17.8886   71.919  130.557   69.376   47.003   21.040   80.301   23.164 -33.29818 31.29279 
1 1 1   30    2    8 o   63.344   16.685   68.267   50.819   44.732   71.564   92.208   72.177   57.681   23.106   69.006   24.075 -11.32475 33.36903 
1 1 1   30    3    1 o   77.570   18.820  117.008   58.014   52.255  133.316  132.134   64.435   73.155   30.654   81.985   21.843 -8.829857 37.64016 
1 1 1   30    3    3 o  146.770   16.152  438.667   76.936  285.889  112.105  574.692  105.780  117.648   27.460  175.892   17.015 -58.24418 32.30448 
1 1 1   30    3    5 o  102.906   17.515  224.646   63.876  163.803   97.379  270.597   84.626   88.630   27.876  117.183   21.213 -28.55328 35.02976 
1 1 1   30    3    7 o   90.469   17.089  169.380   57.318  119.465   80.236  221.399   81.910   76.715   25.405  104.222   22.865 -27.50716 34.17870 
1 1 1   30    3    9 o   30.185   10.205 -46.8744   29.304 -24.5706   34.029 -110.8716   57.643   29.714   13.744   30.656   15.090 -0.9418240 20.41092 
1 1 1   30    4    0 o  137.271   20.632  429.584   86.587  286.080  173.275  477.344   99.962  114.025   37.313  160.517   17.620 -46.49184 41.26358 
1 1 1   30    4    2 f   67.589   15.591   83.246   43.638  114.627   64.485   56.736   59.270   76.283   22.427   58.896   21.663 17.38641 31.18138 
1 1 1   30    4    4 o  113.877   17.315  285.314   67.974  357.564   86.417  168.073  110.084  138.052   17.711   89.701   29.759 48.35123 34.63084 
1 1 1   30    4    6 o   81.461   16.411  135.782   49.563  130.178   72.167  140.786   68.187   79.794   23.793   83.128   22.609 -3.333946 32.82224 
1 1 1   30    4    8 o   53.467   15.045   33.801   41.840   17.485   53.113   60.486   67.924   46.657   19.433   60.277   22.975 -13.61976 30.09091 
1 1 1   30    5    1 o   92.571   18.310  165.003   59.342  143.585   72.176  209.688  104.253   84.739   23.350  100.402   28.210 -15.66245 36.62034 
1 1 1   30    5    3 f  122.694   14.689  287.726   62.058  326.768   94.685  258.326   82.167  130.731   20.492  114.656   21.052 16.07455 29.37854 
1 1 1   30    5    5 o  117.495   17.308  273.651   67.936  240.108   85.662  330.512  111.529  108.815   22.993  126.175   25.877 -17.36010 34.61651 
1 1 1   30    5    7 o   50.274   14.378   29.314   39.582   24.395   58.486   33.471   53.767   49.876   20.548   50.671   20.116 -0.7957344 28.75589 
1 1 1   30    6    0 o  227.803   20.144  1035.53  158.976  1120.32  254.099  980.996  203.786  232.865   30.873  222.742   25.885 10.12381 40.28884 
1 1 1   30    6    2 o   42.979   12.822  -5.1678   34.050 -32.7128   43.655   37.622   54.410   33.504   15.521   52.454   20.412 -18.95050 25.64317 
1 1 1   30    6    4 o   61.737   16.880   57.137   50.110   48.895   61.610   73.245   86.132   56.737   21.820   66.736   25.762 -9.999077 33.76067 
1 1 1   30    6    6 o   80.132   15.970  113.111   54.520   22.217   72.088  234.582   83.336   53.241   22.437  107.024   22.733 -53.78381 31.94028 
1 1 1   30    7    1 o  132.392   13.703  335.260   63.600  308.536   93.247  358.507   86.968  126.707   20.822  138.077   17.820 -11.36933 27.40627 
1 1 1   30    7    3 o   59.079   13.248   38.765   42.382  133.530   57.407 -74.7653   62.834   81.835   20.013   36.323   17.363 45.51225 26.49568 
1 1 1   30    7    5 o  139.507   14.010  377.815   68.965  375.096  100.142  380.269   95.114  138.631   20.438  140.384   19.169 -1.753326 28.02097 
1 1 1   30    8    0 o  113.735   15.188  261.312   58.642  188.328   85.000  327.603   81.008   95.430   24.928  132.040   17.358 -36.60921 30.37592 
1 1 1   30    8    2 o   37.273   11.865 -15.0097   32.090   0.1451   38.665 -48.5597   57.529   37.323   16.099   37.222   17.434 0.1008148 23.73003 
1 1 1   30    8    4 o   45.668   13.580   13.949   36.606   13.706   47.219   14.316   57.950   43.800   18.289   47.535   20.079 -3.734772 27.16012 
1 1 1   30    9    1 f   35.981   11.915 -30.7122   30.671 -31.2190   34.668 -28.8868   65.801   28.970   13.558   42.991   19.597 -14.02123 23.82949 
1 1 1   30    9    3 f  146.421   14.024  425.872   70.646  364.329  106.874  473.632   94.148  134.940   22.408  157.902   16.870 -22.96165 28.04855 
1 1 1   30   10    0 o   88.495   22.088  139.636   64.600  240.562  180.086  124.731   69.206   99.294   37.514   77.696   23.330 21.59794 44.17657 
1 1 1   31    0    1 o  216.303   12.540  869.383  133.485  869.383  133.485  869.383  133.485  216.303   17.735  216.303   17.735 -0.000000 0.000000 
1 1 1   31    0    3 o  103.524   23.807  260.214  109.006  260.214  109.006  260.214  109.006  103.524   33.668  103.524   33.668 -0.000000 0.000000 
1 1 1   31    0    5 o   36.603   16.059   21.787   58.740   21.787   58.740   21.787   58.740   36.603   22.710   36.603   22.710 -0.000000 0.000000 
1 1 1   31    1    0 o   41.458   12.020 -13.7320   31.622 -59.7835   41.651   48.934   48.587   28.717   13.833   54.199   19.662 -25.48178 24.04095 
1 1 1   31    1    2 f   54.409   25.014 -47.1769  110.290 -47.1769  110.290   0.0000   0.0000   54.409   25.014  ?   ?       ?      ? 
1 1 1   31    1    4 o  104.285   20.666  242.770   75.796  249.443   89.592  225.969  142.165  109.916   23.755   98.655   33.824 11.26109 41.33172 
1 1 1   31    2    1 o   73.399   19.655   87.752   60.237  120.537  131.158   78.988   67.812   81.162   31.662   65.636   23.299 15.52569 39.31042 
1 1 1   31    2    3 o   53.631   15.375   27.976   48.619   64.592   59.061 -49.0018   85.634   60.190   21.702   47.073   21.783 13.11748 30.74914 
1 1 1   31    2    5 o  145.986   19.256  413.083   99.358   0.0000   0.0000  413.083   99.358  ?   ?   145.986   19.256      ?      ? 
1 1 1   31    3    0 o  127.933   20.077  372.827   81.467  274.484  159.097  407.777   94.845  108.955   35.758  146.910   18.266 -37.95507 40.15356 
1 1 1   31    3    2 o  130.067   13.732  326.178   62.726  304.585   91.694  345.172   85.996  125.297   20.705  134.837   18.045 -9.539780 27.46495 
1 1 1   31    3    4 o   79.638   19.574  134.754   69.476  163.662   85.981   80.368  117.932   87.549   25.940   71.728   29.321 15.82144 39.14853 
1 1 1   31    4    1 o  131.339   17.381  329.689   77.148  259.115   96.385  455.517  128.699  111.739   25.027  150.938   24.124 -39.19925 34.76116 
1 1 1   31    4    3 o  141.200   14.950  402.437   70.450  310.882  102.047  485.807   97.378  122.398   24.444  160.001   17.219 -37.60360 29.90046 
1 1 1   31    5    0 f   64.336   18.706   45.328   72.803 -100.7540  142.270   97.151   84.738   57.026   26.929   71.646   25.971 -14.62061 37.41157 
1 1 1   31    5    2 o  120.558   15.481  315.748   61.439  165.349   91.418  439.639   82.971   87.782   26.912  153.333   15.310 -65.55095 30.96192 
1 1 1   31    6    1 o  131.538   15.730  354.940   69.358  282.746  102.541  415.825   94.167  115.590   25.758  147.487   18.064 -31.89682 31.46084 
1 1 1   31    7    0 o   94.406   22.433  189.498   72.477  198.812  202.035  188.122   77.646   93.704   38.349   95.109   23.285 -1.404617 44.86506 
1 1 1   32    0    0 o   58.341   19.058   94.678   61.238   94.678   61.238   94.678   61.238   58.341   26.952   58.341   26.952 -0.000000 0.000000 
1 1 1   32    2    0 o   88.090   19.534  106.903   59.180  321.389  135.809   56.628   65.751  117.399   31.899   58.780   22.556 58.61901 39.06822 
#END OF REFLECTIONS
